#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5pgm s LYS 2 N 0.00 0.99 -0.02 -0.52 2.20 -1.26 -0.36 119.74 120.77 5pgm s LYS 2 Ca 0.00 -0.25 0.04 0.00 -0.36 0.00 0.00 55.97 55.40 5pgm s LYS 2 Cb 0.00 -0.92 -0.00 0.00 -1.51 0.00 0.00 37.83 35.39 5pgm s LYS 2 CO 0.00 0.04 -0.13 -1.17 -0.36 0.00 0.00 175.35 173.73 5pgm s LEU 3 N 0.47 1.91 -0.12 5.43 2.96 -0.16 -1.79 118.68 127.38 5pgm s LEU 3 Ca -0.07 -0.25 0.02 0.00 -0.22 0.00 0.00 54.13 53.61 5pgm s LEU 3 Cb -0.11 -0.71 0.01 0.00 0.50 0.00 0.00 46.19 45.88 5pgm s LEU 3 CO 0.01 0.13 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.28 5pgm s VAL 4 N -0.04 1.77 -0.15 1.68 1.01 0.89 0.63 120.40 126.19 5pgm s VAL 4 Ca -0.00 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 5pgm s VAL 4 Cb -0.08 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 5pgm s VAL 4 CO 0.00 0.49 -0.03 -0.76 0.00 0.00 0.00 175.10 174.81 5pgm s LEU 5 N 0.81 3.31 -0.12 3.92 1.43 0.52 -0.31 118.68 128.23 5pgm s LEU 5 Ca -0.09 -0.10 -0.00 0.00 -1.03 0.00 0.00 54.13 52.91 5pgm s LEU 5 Cb -0.16 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.29 5pgm s LEU 5 CO 0.00 0.18 -0.10 -0.69 0.23 0.00 0.00 176.35 175.97 5pgm s VAL 6 N 0.30 1.21 -0.09 -1.59 1.01 -0.34 -0.92 120.40 119.98 5pgm s VAL 6 Ca -0.03 -0.41 -0.15 0.00 0.00 0.00 0.00 61.98 61.39 5pgm s VAL 6 Cb -0.14 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 5pgm s VAL 6 CO 0.03 0.40 0.37 -0.60 0.00 0.00 0.00 175.10 175.30 5pgm s ARG 7 N 1.59 4.10 0.48 2.72 3.52 -1.26 -2.49 118.95 127.61 5pgm s ARG 7 Ca 0.04 0.28 -0.21 0.00 -0.13 0.00 0.00 55.73 55.71 5pgm s ARG 7 Cb -0.13 -3.34 -0.08 0.00 -1.56 0.00 0.00 34.95 29.85 5pgm s ARG 7 CO -0.08 0.42 1.10 -3.38 -0.81 0.00 0.00 175.30 172.54 5pgm s HIS 8 N -0.14 2.92 0.81 5.12 -3.43 -1.20 -0.91 115.29 118.45 5pgm s HIS 8 Ca 0.21 1.57 -0.14 0.00 -0.80 0.00 0.00 55.06 55.91 5pgm s HIS 8 Cb -0.15 -3.22 0.19 0.00 -1.43 0.00 0.00 32.58 27.97 5pgm s HIS 8 CO 0.09 -1.18 0.87 0.41 -2.00 0.00 0.00 174.74 172.93 5pgm n GLY 9 N 0.16 -2.10 3.66 -1.38 0.00 -1.26 -4.59 105.19 99.69 5pgm n GLY 9 Ca 0.09 -1.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 5pgm n GLY 9 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 5pgm n GLN 10 N -3.51 1.53 -2.46 1.61 6.02 -1.26 -4.77 117.38 114.54 5pgm n GLN 10 Ca 0.11 0.55 -0.25 0.00 -0.01 0.00 0.00 57.00 57.41 5pgm n GLN 10 Cb 0.42 -2.25 0.12 0.00 1.02 0.00 0.00 30.24 29.56 5pgm n GLN 10 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 5pgm s SER 11 N -0.76 4.11 0.38 1.08 1.04 -1.26 -0.43 113.70 117.86 5pgm s SER 11 Ca 0.65 -0.23 0.19 0.00 0.48 0.00 0.00 55.95 57.04 5pgm s SER 11 Cb -0.50 -0.08 0.74 0.00 0.10 0.00 0.00 66.02 66.28 5pgm s SER 11 CO 0.55 -2.03 1.77 -0.33 0.98 0.00 0.00 173.24 174.18 5pgm h GLU 12 N -0.74 0.00 0.00 4.02 5.08 -1.52 -3.15 114.58 118.27 5pgm h GLU 12 Ca -0.38 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.95 5pgm h GLU 12 Cb 1.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 5pgm h GLU 12 CO 0.40 0.36 -0.13 -1.49 -1.00 0.00 0.00 179.01 177.15 5pgm h TRP 13 N 0.00 0.00 -0.10 4.33 4.06 -1.91 -3.25 115.95 119.07 5pgm h TRP 13 Ca -0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.94 5pgm h TRP 13 Cb 0.83 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.99 5pgm h TRP 13 CO 0.00 0.13 0.05 -0.97 -3.56 0.00 0.00 178.44 174.09 5pgm h ASN 14 N 0.00 0.14 -0.75 -3.49 -0.73 -1.79 -0.96 115.58 108.00 5pgm h ASN 14 Ca -0.00 -0.12 0.02 0.00 1.87 0.00 0.00 56.30 58.06 5pgm h ASN 14 Cb 0.90 -0.03 -0.04 0.00 0.27 0.00 0.00 38.32 39.41 5pgm h ASN 14 CO 0.02 0.22 0.49 -0.33 -0.37 0.00 0.00 177.43 177.45 5pgm h GLU 15 N 0.04 0.94 0.00 6.67 5.08 -1.73 -2.00 114.58 123.59 5pgm h GLU 15 Ca 0.04 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 5pgm h GLU 15 Cb 0.12 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.16 5pgm h GLU 15 CO -0.00 0.62 0.00 1.63 -1.00 0.00 0.00 179.01 180.26 5pgm n LYS 16 N -4.60 0.43 -3.30 2.33 5.02 -0.85 -4.91 118.16 112.29 5pgm n LYS 16 Ca 0.08 0.06 -0.16 0.00 -2.02 0.00 0.00 58.31 56.27 5pgm n LYS 16 Cb 0.05 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.64 5pgm n LYS 16 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 5pgm n ASN 17 N -1.16 -3.48 -4.16 4.39 4.05 -0.42 -4.94 115.26 109.53 5pgm n ASN 17 Ca 0.12 -0.62 -0.21 0.00 0.45 0.00 0.00 54.58 54.32 5pgm n ASN 17 Cb 0.12 -4.94 -0.13 0.00 1.23 0.00 0.00 39.78 36.05 5pgm n ASN 17 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 5pgm s LEU 18 N -5.87 2.17 0.02 1.20 1.43 -0.89 -1.86 118.68 114.89 5pgm s LEU 18 Ca 0.14 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 52.47 5pgm s LEU 18 Cb -0.02 -0.66 -0.04 0.00 0.03 0.00 0.00 46.19 45.50 5pgm s LEU 18 CO 0.70 0.05 1.10 -0.36 0.23 0.00 0.00 176.35 178.07 5pgm s PHE 19 N -0.84 3.52 -0.05 0.29 0.08 -0.31 -4.59 117.98 116.09 5pgm s PHE 19 Ca 0.02 1.47 -0.03 0.00 0.12 0.00 0.00 56.93 58.51 5pgm s PHE 19 Cb -0.08 -3.29 -0.01 0.00 -0.57 0.00 0.00 43.02 39.07 5pgm s PHE 19 CO 0.01 -0.71 -0.07 2.41 -0.10 0.00 0.00 175.22 176.76 5pgm n THR 20 N 3.97 0.48 0.00 0.64 -1.04 -1.26 0.13 114.28 117.20 5pgm n THR 20 Ca 0.08 0.40 0.00 0.00 -2.04 0.00 0.00 64.05 62.49 5pgm n THR 20 Cb 0.48 -1.80 0.00 0.00 -1.82 0.00 0.00 70.33 67.20 5pgm n THR 20 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 5pgm n GLY 21 N 1.67 3.67 0.01 3.41 0.00 -1.26 -1.41 105.19 111.28 5pgm n GLY 21 Ca -0.03 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.09 5pgm n GLY 21 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 5pgm n TRP 22 N 13.73 0.00 -1.73 1.61 7.02 -1.26 -4.71 117.44 132.11 5pgm n TRP 22 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 5pgm n TRP 22 Cb 0.00 -0.42 -0.02 0.00 -2.42 0.00 0.00 31.31 28.45 5pgm n TRP 22 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 5pgm n VAL 23 N -1.44 0.60 -2.10 -0.99 0.31 -0.50 -4.85 118.33 109.37 5pgm n VAL 23 Ca 0.08 -0.15 -0.42 0.00 -0.01 0.00 0.00 64.34 63.84 5pgm n VAL 23 Cb 0.32 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 5pgm n VAL 23 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 5pgm n ASP 24 N 2.86 4.51 -4.76 4.52 2.03 -1.26 -4.97 116.55 119.48 5pgm n ASP 24 Ca 0.12 -2.96 -0.40 0.00 0.52 0.00 0.00 54.79 52.07 5pgm n ASP 24 Cb 0.35 -1.59 -0.06 0.00 -0.72 0.00 0.00 41.12 39.11 5pgm n ASP 24 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 5pgm s VAL 25 N 2.03 4.36 0.51 5.18 1.01 -1.26 -4.85 120.40 127.38 5pgm s VAL 25 Ca 0.44 1.82 -0.20 0.00 0.00 0.00 0.00 61.98 64.04 5pgm s VAL 25 Cb 0.11 -4.20 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 5pgm s VAL 25 CO -0.04 0.48 1.11 -1.59 0.00 0.00 0.00 175.10 175.06 5pgm s LYS 26 N -0.90 3.54 0.44 2.72 -2.85 -1.26 -4.00 119.74 117.43 5pgm s LYS 26 Ca 0.38 1.57 -0.25 0.00 -1.00 0.00 0.00 55.97 56.67 5pgm s LYS 26 Cb -0.23 -2.10 -0.08 0.00 -2.06 0.00 0.00 37.83 33.36 5pgm s LYS 26 CO 0.27 -0.69 1.33 -1.17 0.10 0.00 0.00 175.35 175.20 5pgm s LEU 27 N -3.58 4.13 0.72 2.77 2.96 -1.26 -1.49 118.68 122.92 5pgm s LEU 27 Ca 0.70 2.71 -0.10 0.00 -0.22 0.00 0.00 54.13 57.22 5pgm s LEU 27 Cb -0.23 -3.98 0.04 0.00 0.50 0.00 0.00 46.19 42.52 5pgm s LEU 27 CO 0.26 -1.02 1.08 -0.94 -1.32 0.00 0.00 176.35 174.41 5pgm s SER 28 N -0.75 5.08 0.28 3.68 1.04 0.43 -4.62 113.70 118.84 5pgm s SER 28 Ca 0.60 0.85 0.02 0.00 0.48 0.00 0.00 55.95 57.90 5pgm s SER 28 Cb -0.39 -1.56 0.60 0.00 0.10 0.00 0.00 66.02 64.77 5pgm s SER 28 CO 0.50 -1.51 1.80 0.00 0.98 0.00 0.00 173.24 175.01 5pgm h ALA 29 N -0.69 1.50 0.00 5.32 0.00 -1.95 0.40 119.26 123.85 5pgm h ALA 29 Ca -0.45 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 5pgm h ALA 29 Cb 1.29 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 5pgm h ALA 29 CO 0.63 0.08 -0.46 -0.22 0.00 0.00 0.00 179.25 179.28 5pgm h LYS 30 N 0.85 0.00 -0.42 0.00 3.64 -1.93 -2.33 116.57 116.39 5pgm h LYS 30 Ca 0.51 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.80 5pgm h LYS 30 Cb 0.64 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 5pgm h LYS 30 CO -0.32 0.46 -0.11 0.78 -2.27 0.00 0.00 179.45 177.99 5pgm h GLY 31 N 1.63 0.88 1.27 5.01 0.00 -0.45 -2.08 103.07 109.32 5pgm h GLY 31 Ca -0.00 -0.73 0.03 0.00 0.00 0.00 0.00 47.33 46.63 5pgm h GLY 31 CO 0.06 0.67 0.41 1.46 0.00 0.00 0.00 176.54 179.14 5pgm h GLN 32 N 0.63 0.71 -0.03 4.80 4.20 -0.27 -1.14 115.11 124.02 5pgm h GLN 32 Ca 0.10 -0.04 -0.24 0.00 0.06 0.00 0.00 58.65 58.53 5pgm h GLN 32 Cb 0.64 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 28.27 5pgm h GLN 32 CO 0.04 0.47 -0.95 1.96 -0.67 0.00 0.00 178.83 179.69 5pgm h GLN 33 N 0.74 0.59 -0.25 1.46 4.20 -1.30 -2.02 115.11 118.53 5pgm h GLN 33 Ca 0.25 -0.60 -0.08 0.00 0.06 0.00 0.00 58.65 58.28 5pgm h GLN 33 Cb 0.08 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 5pgm h GLN 33 CO -0.07 1.21 -0.18 0.93 -0.67 0.00 0.00 178.83 180.06 5pgm h GLU 34 N 0.35 0.43 -0.15 1.46 5.08 -0.90 -1.00 114.58 119.85 5pgm h GLU 34 Ca -0.09 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 5pgm h GLU 34 Cb 1.59 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.79 5pgm h GLU 34 CO 0.18 0.60 0.08 0.00 -1.00 0.00 0.00 179.01 178.87 5pgm h ALA 35 N 1.42 0.19 -0.88 3.43 0.00 -1.03 0.21 119.26 122.59 5pgm h ALA 35 Ca 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 5pgm h ALA 35 Cb 0.55 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 5pgm h ALA 35 CO 0.04 -0.26 0.47 0.00 0.00 0.00 0.00 179.25 179.49 5pgm h ALA 36 N 0.97 1.13 -0.40 0.00 0.00 -1.21 -1.15 119.26 118.60 5pgm h ALA 36 Ca 0.05 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 5pgm h ALA 36 Cb 0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 5pgm h ALA 36 CO -0.01 0.65 -0.21 -0.09 0.00 0.00 0.00 179.25 179.60 5pgm h ARG 37 N 1.24 0.79 -0.55 0.00 9.65 -0.79 -1.19 114.38 123.52 5pgm h ARG 37 Ca 0.31 -0.31 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 5pgm h ARG 37 Cb 0.05 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.57 5pgm h ARG 37 CO -0.05 0.93 0.34 0.00 2.80 0.00 0.00 179.97 183.99 5pgm h ALA 38 N 1.07 0.71 -0.15 2.80 0.00 0.19 -0.64 119.26 123.24 5pgm h ALA 38 Ca 0.10 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 5pgm h ALA 38 Cb 0.72 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 5pgm h ALA 38 CO 0.06 0.18 -0.52 0.78 0.00 0.00 0.00 179.25 179.74 5pgm h GLY 39 N 0.75 0.46 1.30 0.00 0.00 -1.10 -2.59 103.07 101.89 5pgm h GLY 39 Ca 0.20 -0.52 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 5pgm h GLY 39 CO -0.04 0.46 0.08 0.83 0.00 0.00 0.00 176.54 177.88 5pgm h GLU 40 N 0.33 0.86 -0.59 4.80 5.08 -0.80 -2.89 114.58 121.37 5pgm h GLU 40 Ca 0.01 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.08 5pgm h GLU 40 Cb 1.03 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 5pgm h GLU 40 CO 0.09 0.81 0.06 -0.07 -1.00 0.00 0.00 179.01 178.90 5pgm h LEU 41 N 0.82 0.98 -0.57 1.33 3.38 -0.94 -1.44 115.31 118.87 5pgm h LEU 41 Ca 0.17 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.92 5pgm h LEU 41 Cb 0.38 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 5pgm h LEU 41 CO 0.01 1.02 0.27 -0.07 0.09 0.00 0.00 178.44 179.76 5pgm h LEU 42 N 0.91 0.36 0.06 1.67 3.38 -1.30 0.21 115.31 120.61 5pgm h LEU 42 Ca 0.18 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 5pgm h LEU 42 Cb 0.48 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.21 5pgm h LEU 42 CO 0.02 0.24 -0.03 0.50 0.09 0.00 0.00 178.44 179.26 5pgm h LYS 43 N 0.51 -0.08 -0.31 1.13 3.64 -1.41 0.96 116.57 121.00 5pgm h LYS 43 Ca 0.27 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.72 5pgm h LYS 43 Cb 0.22 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.99 5pgm h LYS 43 CO -0.21 0.35 -0.16 1.49 -2.27 0.00 0.00 179.45 178.66 5pgm h GLU 44 N -0.55 -0.11 -0.08 1.90 4.81 -1.11 -1.63 114.58 117.82 5pgm h GLU 44 Ca -0.01 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 5pgm h GLU 44 Cb 0.47 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.88 5pgm h GLU 44 CO 0.01 -0.07 0.00 1.63 -0.73 0.00 0.00 179.01 179.85 5pgm n LYS 45 N -5.33 1.32 -3.54 1.92 4.01 0.73 -4.96 118.16 112.31 5pgm n LYS 45 Ca 0.01 -0.48 -0.20 0.00 -0.51 0.00 0.00 58.31 57.13 5pgm n LYS 45 Cb 0.24 -1.32 0.07 0.00 -0.51 0.00 0.00 35.03 33.52 5pgm n LYS 45 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 5pgm n LYS 46 N -0.29 -6.40 -3.88 1.97 5.02 -0.45 -4.99 118.16 109.13 5pgm n LYS 46 Ca 0.14 0.78 -0.35 0.00 -2.02 0.00 0.00 58.31 56.87 5pgm n LYS 46 Cb 0.18 -5.70 -0.13 0.00 -0.02 0.00 0.00 35.03 29.35 5pgm n LYS 46 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 5pgm s VAL 47 N -3.42 3.01 -0.55 -0.18 1.01 0.21 -5.04 120.40 115.44 5pgm s VAL 47 Ca 0.12 -1.67 -0.08 0.00 0.00 0.00 0.00 61.98 60.35 5pgm s VAL 47 Cb -0.06 -2.87 0.14 0.00 0.00 0.00 0.00 36.38 33.59 5pgm s VAL 47 CO 0.75 -0.32 0.41 -0.31 0.00 0.00 0.00 175.10 175.64 5pgm s TYR 48 N 1.19 3.48 0.41 5.22 2.02 -1.26 -4.52 117.35 123.88 5pgm s TYR 48 Ca 0.00 -2.10 -0.26 0.00 -0.37 0.00 0.00 57.07 54.34 5pgm s TYR 48 Cb -0.21 -3.47 -0.09 0.00 -0.40 0.00 0.00 41.96 37.79 5pgm s TYR 48 CO -0.03 -0.96 1.38 -2.14 -1.57 0.00 0.00 175.55 172.23 5pgm s PRO 49 N 0.89 3.95 -0.02 -1.71 0.02 -1.26 -4.77 135.00 132.10 5pgm s PRO 49 Ca 0.10 2.33 0.22 0.00 0.02 0.00 0.00 61.00 63.67 5pgm s PRO 49 Cb -0.23 -2.80 -0.30 0.00 0.02 0.00 0.00 34.50 31.19 5pgm s PRO 49 CO -0.03 -0.57 0.60 -0.25 -0.33 0.00 0.00 177.00 176.42 5pgm n ASP 50 N 0.17 0.26 -3.52 2.53 8.00 0.55 -4.95 116.55 119.59 5pgm n ASP 50 Ca 0.03 -0.22 -0.16 0.00 0.71 0.00 0.00 54.79 55.15 5pgm n ASP 50 Cb 0.42 1.71 -0.05 0.00 -0.02 0.00 0.00 41.12 43.18 5pgm n ASP 50 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 5pgm s VAL 51 N -3.39 0.00 0.04 2.53 0.11 -1.17 -4.13 120.40 114.39 5pgm s VAL 51 Ca -0.04 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.09 5pgm s VAL 51 Cb 0.14 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.97 5pgm s VAL 51 CO 0.90 0.00 -0.22 -0.22 -3.33 0.00 0.00 175.10 172.22 5pgm s LEU 52 N -1.42 2.17 -0.05 2.54 2.96 -0.10 -2.11 118.68 122.67 5pgm s LEU 52 Ca -0.08 -0.54 0.04 0.00 -0.22 0.00 0.00 54.13 53.33 5pgm s LEU 52 Cb -0.00 -1.06 0.00 0.00 0.50 0.00 0.00 46.19 45.63 5pgm s LEU 52 CO 0.05 0.19 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.80 5pgm s TYR 53 N -0.80 1.66 0.20 5.38 2.02 -0.33 -0.51 117.35 124.97 5pgm s TYR 53 Ca 0.09 -0.51 0.01 0.00 -0.37 0.00 0.00 57.07 56.28 5pgm s TYR 53 Cb -0.09 -1.14 -0.05 0.00 -0.40 0.00 0.00 41.96 40.28 5pgm s TYR 53 CO 0.02 -0.19 0.07 0.95 -1.57 0.00 0.00 175.55 174.82 5pgm s THR 54 N 0.18 0.43 0.50 -0.71 -4.23 -0.24 -0.73 115.64 110.83 5pgm s THR 54 Ca -0.07 -1.98 -0.06 0.00 -1.18 0.00 0.00 61.69 58.40 5pgm s THR 54 Cb -0.12 -2.36 0.11 0.00 1.34 0.00 0.00 72.50 71.46 5pgm s THR 54 CO 0.03 -0.22 0.69 -1.54 -0.54 0.00 0.00 174.62 173.04 5pgm n SER 55 N -0.31 0.30 -1.26 3.99 3.41 -1.19 -1.88 113.62 116.68 5pgm n SER 55 Ca -0.02 -1.40 0.06 0.00 -0.26 0.00 0.00 58.87 57.25 5pgm n SER 55 Cb 0.65 -0.50 0.26 0.00 -0.26 0.00 0.00 64.21 64.36 5pgm n SER 55 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 5pgm n LYS 56 N -2.40 3.11 -3.95 4.33 5.02 -1.23 -4.42 118.16 118.61 5pgm n LYS 56 Ca 0.09 -2.06 -0.35 0.00 -2.02 0.00 0.00 58.31 53.97 5pgm n LYS 56 Cb 0.33 -1.78 -0.09 0.00 -0.02 0.00 0.00 35.03 33.47 5pgm n LYS 56 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 5pgm s LEU 57 N -1.55 3.95 0.27 -0.35 1.43 -1.26 -5.03 118.68 116.14 5pgm s LEU 57 Ca 0.37 0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.61 5pgm s LEU 57 Cb 0.25 -2.00 0.59 0.00 0.03 0.00 0.00 46.19 45.06 5pgm s LEU 57 CO 0.16 0.21 1.66 0.28 0.23 0.00 0.00 176.35 178.89 5pgm h SER 58 N 6.45 -0.04 -0.92 2.29 0.02 -1.88 -2.33 113.55 117.14 5pgm h SER 58 Ca -0.40 0.18 0.08 0.00 -0.84 0.00 0.00 61.79 60.81 5pgm h SER 58 Cb 1.17 0.25 -0.06 0.00 0.14 0.00 0.00 62.40 63.90 5pgm h SER 58 CO 0.70 -0.12 0.60 0.08 -1.14 0.00 0.00 176.83 176.95 5pgm h ARG 59 N 0.22 0.98 -0.08 3.45 0.11 -1.92 0.39 114.38 117.52 5pgm h ARG 59 Ca 0.49 -0.06 -0.20 0.00 0.10 0.00 0.00 59.98 60.31 5pgm h ARG 59 Cb 0.93 -0.22 0.01 0.00 1.11 0.00 0.00 29.97 31.80 5pgm h ARG 59 CO -0.61 0.65 -0.73 0.00 0.10 0.00 0.00 179.97 179.38 5pgm h ALA 60 N 1.52 0.20 0.39 0.08 0.00 -1.74 -2.49 119.26 117.21 5pgm h ALA 60 Ca 0.41 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 5pgm h ALA 60 Cb 0.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 5pgm h ALA 60 CO -0.16 0.54 -0.19 0.82 0.00 0.00 0.00 179.25 180.26 5pgm h ILE 61 N 0.29 0.62 -0.35 0.00 2.04 -1.02 -1.12 117.51 117.96 5pgm h ILE 61 Ca -0.07 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.74 5pgm h ILE 61 Cb 1.38 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 5pgm h ILE 61 CO 0.15 0.01 0.23 -0.61 0.00 0.00 0.00 178.15 177.93 5pgm h GLN 62 N -0.56 0.42 -0.51 2.37 4.15 -0.34 0.15 115.11 120.78 5pgm h GLN 62 Ca -0.05 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.30 5pgm h GLN 62 Cb 0.43 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 5pgm h GLN 62 CO 0.09 0.28 0.14 1.15 -1.93 0.00 0.00 178.83 178.55 5pgm h THR 63 N 0.43 1.24 -0.10 2.39 2.02 -1.15 -0.57 112.91 117.16 5pgm h THR 63 Ca 0.13 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 5pgm h THR 63 Cb 0.02 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 5pgm h THR 63 CO -0.03 0.30 0.03 0.00 0.37 0.00 0.00 175.52 176.19 5pgm h ALA 64 N 1.01 0.13 -0.20 6.16 0.00 0.49 0.25 119.26 127.09 5pgm h ALA 64 Ca 0.16 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.00 5pgm h ALA 64 Cb 0.31 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 5pgm h ALA 64 CO -0.00 -0.26 -0.04 -0.91 0.00 0.00 0.00 179.25 178.04 5pgm h ASN 65 N -0.01 -0.16 -0.51 0.00 -0.26 -0.81 0.49 115.58 114.33 5pgm h ASN 65 Ca 0.03 0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.83 5pgm h ASN 65 Cb 0.20 0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.55 5pgm h ASN 65 CO -0.00 -0.05 0.32 0.40 -1.06 0.00 0.00 177.43 177.04 5pgm h ILE 66 N 0.02 1.14 -0.81 2.81 2.04 -1.01 -1.39 117.51 120.32 5pgm h ILE 66 Ca 0.10 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 5pgm h ILE 66 Cb 0.14 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 5pgm h ILE 66 CO -0.20 0.14 0.37 0.00 0.00 0.00 0.00 178.15 178.47 5pgm h ALA 67 N 1.17 1.05 0.00 1.87 0.00 -0.60 -2.12 119.26 120.63 5pgm h ALA 67 Ca 0.18 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 5pgm h ALA 67 Cb -0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 5pgm h ALA 67 CO -0.04 0.63 -0.77 -0.07 0.00 0.00 0.00 179.25 179.01 5pgm h LEU 68 N 1.16 0.00 -0.39 0.00 3.38 -0.68 -1.27 115.31 117.51 5pgm h LEU 68 Ca 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 5pgm h LEU 68 Cb 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 5pgm h LEU 68 CO -0.03 0.77 0.23 -0.08 0.09 0.00 0.00 178.44 179.41 5pgm h GLU 69 N 0.00 0.53 0.00 1.13 4.22 -0.90 0.16 114.58 119.72 5pgm h GLU 69 Ca -0.01 -0.05 -0.08 0.00 0.08 0.00 0.00 59.36 59.30 5pgm h GLU 69 Cb 1.37 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 5pgm h GLU 69 CO 0.10 0.42 -0.38 0.87 -2.18 0.00 0.00 179.01 177.83 5pgm h LYS 70 N 0.51 0.00 0.00 1.92 1.79 -1.13 -2.82 116.57 116.84 5pgm h LYS 70 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 5pgm h LYS 70 Cb 0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 5pgm h LYS 70 CO -0.02 0.38 -0.32 0.00 -1.08 0.00 0.00 179.45 178.41 5pgm n ALA 71 N -2.38 2.95 -3.13 3.86 0.00 -0.50 -4.61 120.51 116.70 5pgm n ALA 71 Ca -0.01 -0.23 -0.14 0.00 0.00 0.00 0.00 53.44 53.06 5pgm n ALA 71 Cb 0.46 -1.27 0.05 0.00 0.00 0.00 0.00 19.45 18.69 5pgm n ALA 71 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 5pgm n ASP 72 N -1.66 -4.06 -2.82 0.00 8.00 0.48 -4.84 116.55 111.64 5pgm n ASP 72 Ca 0.06 -0.37 -0.01 0.00 0.71 0.00 0.00 54.79 55.18 5pgm n ASP 72 Cb 0.36 -3.47 0.05 0.00 -0.02 0.00 0.00 41.12 38.05 5pgm n ASP 72 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 5pgm n ARG 73 N -3.32 1.68 0.28 -1.24 1.74 -0.83 -4.87 116.66 110.10 5pgm n ARG 73 Ca -0.05 -3.42 0.17 0.00 -0.77 0.00 0.00 57.85 53.79 5pgm n ARG 73 Cb 0.56 -1.52 0.71 0.00 -1.02 0.00 0.00 32.46 31.19 5pgm n ARG 73 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 5pgm h LEU 74 N 2.58 0.00 -0.18 0.55 5.85 -1.91 -3.13 115.31 119.07 5pgm h LEU 74 Ca -0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.57 5pgm h LEU 74 Cb 1.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.30 5pgm h LEU 74 CO 0.19 0.02 0.00 4.11 -0.34 0.00 0.00 178.44 182.42 5pgm h TRP 75 N 0.00 0.00 -4.16 1.25 5.08 -1.93 -3.48 115.95 112.71 5pgm h TRP 75 Ca -0.00 0.00 -0.55 0.00 1.08 0.00 0.00 58.89 59.42 5pgm h TRP 75 Cb 0.49 0.00 0.17 0.00 -3.00 0.00 0.00 29.16 26.82 5pgm h TRP 75 CO 0.00 0.00 0.42 0.96 -1.28 0.00 0.00 178.44 178.54 5pgm s ILE 76 N -3.17 2.01 0.47 0.12 -4.36 -1.19 -4.96 121.20 110.13 5pgm s ILE 76 Ca 0.09 0.01 -0.23 0.00 -0.26 0.00 0.00 60.65 60.25 5pgm s ILE 76 Cb 0.11 -2.67 -0.07 0.00 1.25 0.00 0.00 42.46 41.08 5pgm s ILE 76 CO 0.56 -0.00 1.22 -2.16 0.24 0.00 0.00 174.94 174.80 5pgm s PRO 77 N -3.80 3.66 -0.06 0.37 0.04 -1.26 -4.84 135.00 129.12 5pgm s PRO 77 Ca 0.78 1.92 0.04 0.00 0.04 0.00 0.00 61.00 63.77 5pgm s PRO 77 Cb -0.33 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 31.79 5pgm s PRO 77 CO 0.46 -0.67 -0.17 0.54 0.04 0.00 0.00 177.00 177.19 5pgm s VAL 78 N -1.45 1.49 -0.03 -0.36 0.11 -1.26 -0.93 120.40 117.97 5pgm s VAL 78 Ca 0.64 -0.73 0.06 0.00 -2.93 0.00 0.00 61.98 59.02 5pgm s VAL 78 Cb -0.32 -1.29 -0.01 0.00 -1.53 0.00 0.00 36.38 33.22 5pgm s VAL 78 CO 0.39 0.43 -0.20 0.20 -3.33 0.00 0.00 175.10 172.59 5pgm s ASN 79 N 0.19 2.37 0.07 3.54 0.01 0.33 -4.99 114.94 116.46 5pgm s ASN 79 Ca -0.08 -0.38 0.09 0.00 -0.71 0.00 0.00 52.86 51.78 5pgm s ASN 79 Cb -0.13 -0.42 -0.03 0.00 0.41 0.00 0.00 41.25 41.07 5pgm s ASN 79 CO 0.03 0.22 -0.24 -0.13 -1.51 0.00 0.00 177.10 175.47 5pgm s ARG 80 N -0.29 1.49 -0.13 -0.60 0.52 -1.26 -1.08 118.95 117.60 5pgm s ARG 80 Ca 0.03 -1.11 -0.11 0.00 -0.52 0.00 0.00 55.73 54.02 5pgm s ARG 80 Cb -0.09 -1.72 0.04 0.00 0.52 0.00 0.00 34.95 33.69 5pgm s ARG 80 CO 0.01 0.43 0.34 0.45 0.02 0.00 0.00 175.30 176.54 5pgm s SER 81 N -1.47 -0.36 0.52 0.23 0.15 -0.79 -4.95 113.70 107.03 5pgm s SER 81 Ca 0.10 0.69 0.35 0.00 0.70 0.00 0.00 55.95 57.79 5pgm s SER 81 Cb -0.10 0.68 1.82 0.00 -1.71 0.00 0.00 66.02 66.71 5pgm s SER 81 CO 0.03 -0.13 2.07 4.11 1.20 0.00 0.00 173.24 180.53 5pgm h TRP 82 N 5.80 0.00 0.00 3.44 5.08 -1.91 -1.99 115.95 126.37 5pgm h TRP 82 Ca -0.28 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.69 5pgm h TRP 82 Cb 1.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.34 5pgm h TRP 82 CO 0.39 0.00 0.00 0.54 -1.28 0.00 0.00 178.44 178.09 5pgm n ARG 83 N -2.79 0.03 0.00 0.12 1.74 -1.26 -1.29 116.66 113.20 5pgm n ARG 83 Ca -0.02 0.18 0.11 0.00 -0.77 0.00 0.00 57.85 57.35 5pgm n ARG 83 Cb 0.11 -1.55 0.06 0.00 -1.02 0.00 0.00 32.46 30.06 5pgm n ARG 83 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 5pgm n LEU 84 N -1.62 2.59 -4.52 0.55 4.77 -0.75 -4.23 117.00 113.79 5pgm n LEU 84 Ca 0.05 -0.91 -0.33 0.00 -0.03 0.00 0.00 56.01 54.79 5pgm n LEU 84 Cb 0.25 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.46 5pgm n LEU 84 CO 0.20 0.45 0.23 0.59 -1.33 0.00 0.00 177.39 177.53 5pgm n ASN 85 N 0.81 -0.92 -4.71 -1.43 4.13 -0.42 -4.35 115.26 108.38 5pgm n ASN 85 Ca 0.12 0.44 -0.31 0.00 1.68 0.00 0.00 54.58 56.51 5pgm n ASN 85 Cb 0.54 -1.31 0.14 0.00 -1.54 0.00 0.00 39.78 37.60 5pgm n ASN 85 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 5pgm s GLU 86 N -3.75 1.43 0.17 3.52 2.56 -1.26 -4.41 118.70 116.96 5pgm s GLU 86 Ca 0.63 1.30 -0.32 0.00 0.00 0.00 0.00 54.97 56.59 5pgm s GLU 86 Cb -0.25 -1.79 -0.11 0.00 2.00 0.00 0.00 34.13 33.98 5pgm s GLU 86 CO 0.61 -2.26 1.64 0.50 -0.56 0.00 0.00 175.26 175.18 5pgm s ARG 87 N -4.77 4.18 0.27 4.30 3.00 -1.26 -4.67 118.95 120.00 5pgm s ARG 87 Ca 0.64 2.45 -0.30 0.00 -1.00 0.00 0.00 55.73 57.53 5pgm s ARG 87 Cb -0.20 -3.18 -0.10 0.00 0.00 0.00 0.00 34.95 31.47 5pgm s ARG 87 CO 0.57 -0.67 1.39 -1.58 0.00 0.00 0.00 175.30 175.01 5pgm s HIS 88 N 1.32 3.04 -2.81 5.12 5.65 -1.26 -4.21 115.29 122.13 5pgm s HIS 88 Ca 0.72 1.17 0.25 0.00 0.25 0.00 0.00 55.06 57.44 5pgm s HIS 88 Cb -0.46 -3.76 0.40 0.00 -1.18 0.00 0.00 32.58 27.58 5pgm s HIS 88 CO 0.32 -2.35 1.38 0.98 -0.65 0.00 0.00 174.74 174.41 5pgm n TYR 89 N 1.86 0.07 -4.59 3.88 4.19 -1.26 -1.68 117.16 119.63 5pgm n TYR 89 Ca 0.05 -0.04 0.00 0.00 3.31 0.00 0.00 57.90 61.22 5pgm n TYR 89 Cb 0.41 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.24 5pgm n TYR 89 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 5pgm n GLY 90 N 1.33 1.59 0.19 2.98 0.00 -1.26 -2.70 105.19 107.32 5pgm n GLY 90 Ca 0.16 -0.65 0.14 0.00 0.00 0.00 0.00 46.02 45.67 5pgm n GLY 90 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 5pgm h ASP 91 N 9.37 0.00 0.66 1.61 3.58 -1.21 -2.11 116.42 128.32 5pgm h ASP 91 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 5pgm h ASP 91 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 5pgm h ASP 91 CO 0.00 0.00 0.00 0.18 -2.88 0.00 0.00 179.24 176.54 5pgm n LEU 92 N -2.53 0.05 -4.66 2.28 4.32 -1.10 -4.75 117.00 110.61 5pgm n LEU 92 Ca 0.00 0.51 -0.42 0.00 -0.02 0.00 0.00 56.01 56.08 5pgm n LEU 92 Cb 0.19 -0.50 -0.03 0.00 -1.62 0.00 0.00 43.42 41.46 5pgm n LEU 92 CO 0.19 -0.20 1.38 -1.10 -1.22 0.00 0.00 177.39 176.45 5pgm s GLN 93 N -3.02 4.12 0.00 3.23 -0.21 -0.79 -2.22 119.66 120.77 5pgm s GLN 93 Ca 0.09 2.15 0.00 0.00 0.02 0.00 0.00 55.36 57.61 5pgm s GLN 93 Cb 0.12 -4.00 0.00 0.00 1.00 0.00 0.00 33.01 30.13 5pgm s GLN 93 CO 0.35 -0.91 0.00 0.41 -2.12 0.00 0.00 175.29 173.01 5pgm n GLY 94 N 4.22 0.53 3.58 3.09 0.00 0.34 -4.84 105.19 112.11 5pgm n GLY 94 Ca 0.18 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 5pgm n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 5pgm s LYS 95 N -1.29 2.14 0.01 1.61 1.02 -0.94 -4.87 119.74 117.42 5pgm s LYS 95 Ca 0.00 -1.07 -0.30 0.00 0.02 0.00 0.00 55.97 54.62 5pgm s LYS 95 Cb 0.00 -2.29 -0.05 0.00 -0.52 0.00 0.00 37.83 34.97 5pgm s LYS 95 CO 0.00 0.49 1.30 0.34 -0.92 0.00 0.00 175.35 176.56 5pgm s ASP 96 N -2.38 6.95 0.41 2.83 -1.08 -1.26 -1.16 116.67 120.98 5pgm s ASP 96 Ca 0.23 2.03 0.10 0.00 -0.52 0.00 0.00 52.55 54.38 5pgm s ASP 96 Cb -0.11 -2.57 0.85 0.00 -1.46 0.00 0.00 42.92 39.64 5pgm s ASP 96 CO 0.14 -0.62 1.96 0.11 0.52 0.00 0.00 175.17 177.29 5pgm h LYS 97 N 7.40 0.25 0.00 4.34 1.57 -1.73 -1.24 116.57 127.17 5pgm h LYS 97 Ca -0.38 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.36 5pgm h LYS 97 Cb 1.18 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.45 5pgm h LYS 97 CO 0.87 0.33 -0.00 0.00 -0.57 0.00 0.00 179.45 180.08 5pgm h ALA 98 N 1.70 -0.01 0.00 3.86 0.00 -1.93 -2.92 119.26 119.98 5pgm h ALA 98 Ca 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 5pgm h ALA 98 Cb 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 5pgm h ALA 98 CO 0.01 -0.25 -0.09 0.93 0.00 0.00 0.00 179.25 179.85 5pgm h GLU 99 N -0.51 0.00 -0.24 0.00 5.08 -1.91 -2.06 114.58 114.94 5pgm h GLU 99 Ca -0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 5pgm h GLU 99 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 5pgm h GLU 99 CO 0.00 0.09 -0.61 1.15 -1.00 0.00 0.00 179.01 178.64 5pgm h THR 100 N 0.00 1.28 -0.61 1.13 2.02 -1.25 -2.17 112.91 113.31 5pgm h THR 100 Ca -0.00 -1.81 -0.08 0.00 0.77 0.00 0.00 66.41 65.29 5pgm h THR 100 Cb 0.20 1.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 5pgm h THR 100 CO 0.01 0.58 0.07 0.25 0.37 0.00 0.00 175.52 176.81 5pgm h LEU 101 N 0.61 1.00 -0.84 2.58 5.85 -1.18 -1.45 115.31 121.87 5pgm h LEU 101 Ca -0.01 -0.27 -0.09 0.00 0.84 0.00 0.00 57.88 58.36 5pgm h LEU 101 Cb 1.22 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 5pgm h LEU 101 CO 0.13 1.02 -0.07 0.11 -0.34 0.00 0.00 178.44 179.29 5pgm h LYS 102 N 0.94 0.79 -0.08 1.25 1.57 -1.52 0.14 116.57 119.66 5pgm h LYS 102 Ca 0.18 -0.24 -0.23 0.00 -1.87 0.00 0.00 60.65 58.49 5pgm h LYS 102 Cb 0.46 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.71 5pgm h LYS 102 CO 0.02 0.84 -0.88 -0.22 -0.57 0.00 0.00 179.45 178.64 5pgm h LYS 103 N 0.73 0.68 0.00 3.15 3.64 -1.07 -3.38 116.57 120.32 5pgm h LYS 103 Ca 0.13 -0.62 -0.21 0.00 -1.27 0.00 0.00 60.65 58.68 5pgm h LYS 103 Cb 0.54 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.47 5pgm h LYS 103 CO 0.03 1.23 -2.06 1.19 -2.27 0.00 0.00 179.45 177.57 5pgm n PHE 104 N -3.88 0.00 0.00 1.91 3.72 -0.57 -5.09 117.46 113.55 5pgm n PHE 104 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 5pgm n PHE 104 Cb 0.80 -0.70 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 5pgm n PHE 104 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 5pgm n GLY 105 N 1.79 0.16 0.40 1.37 0.00 0.48 -4.34 105.19 105.05 5pgm n GLY 105 Ca -0.20 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 5pgm n GLY 105 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 5pgm h GLU 106 N 0.00 -0.14 0.28 1.61 4.57 -1.96 0.04 114.58 118.99 5pgm h GLU 106 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 5pgm h GLU 106 Cb 0.00 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 5pgm h GLU 106 CO 0.00 -0.09 -0.37 1.49 -1.18 0.00 0.00 179.01 178.86 5pgm h GLU 107 N -0.14 -0.68 -0.64 1.92 4.81 -1.96 0.01 114.58 117.90 5pgm h GLU 107 Ca 0.12 0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 5pgm h GLU 107 Cb 0.44 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 5pgm h GLU 107 CO -0.74 -0.45 0.24 -0.22 -0.73 0.00 0.00 179.01 177.11 5pgm h LYS 108 N -0.70 0.94 -0.47 1.92 1.63 -1.72 -0.60 116.57 117.58 5pgm h LYS 108 Ca -0.01 -0.16 -0.04 0.00 -0.85 0.00 0.00 60.65 59.59 5pgm h LYS 108 Cb 0.66 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.11 5pgm h LYS 108 CO -0.11 0.78 0.12 0.35 -3.45 0.00 0.00 179.45 177.14 5pgm h PHE 109 N 0.92 0.78 -0.23 1.91 3.04 -0.72 -0.59 116.94 122.05 5pgm h PHE 109 Ca 0.22 -0.09 -0.08 0.00 3.98 0.00 0.00 57.97 62.00 5pgm h PHE 109 Cb 0.20 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.47 5pgm h PHE 109 CO 0.01 0.70 -0.20 -0.91 -2.02 0.00 0.00 178.31 175.90 5pgm h ASN 110 N 0.63 0.40 0.86 0.41 2.35 -0.74 -1.92 115.58 117.56 5pgm h ASN 110 Ca 0.15 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 5pgm h ASN 110 Cb 0.31 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.58 5pgm h ASN 110 CO -0.00 0.62 -0.41 0.74 -1.65 0.00 0.00 177.43 176.73 5pgm h THR 111 N 0.37 0.14 -0.44 2.81 2.02 -0.50 0.38 112.91 117.70 5pgm h THR 111 Ca 0.06 -0.03 0.06 0.00 0.77 0.00 0.00 66.41 67.27 5pgm h THR 111 Cb 0.56 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 5pgm h THR 111 CO 0.04 0.00 0.29 1.88 0.37 0.00 0.00 175.52 178.10 5pgm h TYR 112 N -1.18 0.34 0.06 3.16 0.05 -1.09 -1.32 116.97 116.99 5pgm h TYR 112 Ca -0.12 0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.57 5pgm h TYR 112 Cb 0.89 -0.11 0.01 0.00 1.01 0.00 0.00 36.73 38.52 5pgm h TYR 112 CO -0.01 0.19 -0.48 0.00 -1.05 0.00 0.00 178.16 176.81 5pgm h ARG 113 N 0.35 0.13 0.00 4.88 3.08 -1.02 -3.43 114.38 118.37 5pgm h ARG 113 Ca 0.19 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.03 5pgm h ARG 113 Cb 0.32 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.45 5pgm h ARG 113 CO -0.04 1.10 -0.02 0.54 -1.07 0.00 0.00 179.97 180.48 5pgm n ARG 114 N -4.37 1.97 -2.80 0.04 5.12 0.13 -5.05 116.66 111.69 5pgm n ARG 114 Ca -0.14 -1.32 -0.33 0.00 -1.93 0.00 0.00 57.85 54.13 5pgm n ARG 114 Cb 0.65 -0.90 -0.06 0.00 -1.16 0.00 0.00 32.46 30.99 5pgm n ARG 114 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 5pgm s SER 115 N -0.91 6.87 0.19 0.55 1.04 -0.50 -4.74 113.70 116.19 5pgm s SER 115 Ca 0.03 1.61 -0.07 0.00 0.48 0.00 0.00 55.95 57.99 5pgm s SER 115 Cb 0.02 -2.51 0.09 0.00 0.10 0.00 0.00 66.02 63.73 5pgm s SER 115 CO 0.00 -0.37 1.59 0.15 0.98 0.00 0.00 173.24 175.59 5pgm h PHE 116 N 1.80 1.03 0.00 5.02 3.57 -1.89 -3.40 116.94 123.07 5pgm h PHE 116 Ca -0.49 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 60.78 5pgm h PHE 116 Cb 1.18 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.68 5pgm h PHE 116 CO 0.62 1.02 -0.01 -0.40 -2.23 0.00 0.00 178.31 177.31 5pgm n ASP 117 N -4.11 1.36 -4.31 0.41 5.68 -1.26 -1.05 116.55 113.26 5pgm n ASP 117 Ca 0.00 -1.74 -0.38 0.00 -0.50 0.00 0.00 54.79 52.17 5pgm n ASP 117 Cb 0.44 -0.02 -0.12 0.00 -1.14 0.00 0.00 41.12 40.28 5pgm n ASP 117 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 5pgm s VAL 118 N -0.75 4.03 0.65 2.12 1.01 -1.26 -4.94 120.40 121.25 5pgm s VAL 118 Ca 0.01 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 60.94 5pgm s VAL 118 Cb 0.01 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.18 5pgm s VAL 118 CO 0.00 -0.14 0.99 -2.16 0.00 0.00 0.00 175.10 173.79 5pgm s PRO 119 N 1.46 2.75 1.09 2.72 0.04 -1.26 -4.56 135.00 137.24 5pgm s PRO 119 Ca 0.00 0.11 -0.14 0.00 0.04 0.00 0.00 61.00 61.02 5pgm s PRO 119 Cb -0.19 -2.16 0.24 0.00 0.04 0.00 0.00 34.50 32.42 5pgm s PRO 119 CO 0.04 -0.92 1.07 -2.14 0.04 0.00 0.00 177.00 175.09 5pgm s PRO 120 N -5.17 -0.29 0.64 0.56 0.02 -1.26 -4.89 135.00 124.62 5pgm s PRO 120 Ca 0.56 0.49 -0.16 0.00 0.02 0.00 0.00 61.00 61.91 5pgm s PRO 120 Cb -0.11 -1.66 -0.01 0.00 0.02 0.00 0.00 34.50 32.75 5pgm s PRO 120 CO 0.47 -3.21 1.14 -2.14 -0.33 0.00 0.00 177.00 172.93 5pgm s PRO 121 N -4.89 2.80 0.55 5.54 0.02 -1.26 -4.79 135.00 132.97 5pgm s PRO 121 Ca 0.67 1.54 -0.18 0.00 0.02 0.00 0.00 61.00 63.04 5pgm s PRO 121 Cb -0.19 -1.94 -0.05 0.00 0.02 0.00 0.00 34.50 32.34 5pgm s PRO 121 CO 0.59 -1.28 1.10 -1.25 -0.33 0.00 0.00 177.00 175.83 5pgm s PRO 122 N -3.83 3.36 0.22 5.54 0.04 -1.26 -1.02 135.00 138.04 5pgm s PRO 122 Ca 0.70 1.47 -0.09 0.00 0.04 0.00 0.00 61.00 63.13 5pgm s PRO 122 Cb -0.24 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.21 5pgm s PRO 122 CO 0.39 -0.81 0.52 -1.50 0.04 0.00 0.00 177.00 175.63 5pgm s ILE 123 N -1.99 4.97 0.23 0.56 2.07 0.27 -3.98 121.20 123.33 5pgm s ILE 123 Ca 0.69 0.40 -0.23 0.00 -1.41 0.00 0.00 60.65 60.11 5pgm s ILE 123 Cb -0.21 -3.62 -0.09 0.00 0.13 0.00 0.00 42.46 38.68 5pgm s ILE 123 CO 0.29 -0.06 0.79 -0.62 -1.91 0.00 0.00 174.94 173.43 5pgm s ASP 124 N -2.38 7.21 0.66 4.50 2.15 -1.26 -4.90 116.67 122.65 5pgm s ASP 124 Ca 0.46 1.57 0.37 0.00 0.43 0.00 0.00 52.55 55.39 5pgm s ASP 124 Cb -0.11 -2.48 2.05 0.00 -0.30 0.00 0.00 42.92 42.08 5pgm s ASP 124 CO 0.22 0.06 2.18 0.00 -0.17 0.00 0.00 175.17 177.45 5pgm h ALA 125 N 3.61 1.23 0.00 3.66 0.00 -1.98 -2.52 119.26 123.26 5pgm h ALA 125 Ca -0.47 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 5pgm h ALA 125 Cb 1.20 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 5pgm h ALA 125 CO 0.65 -0.16 -0.83 0.77 0.00 0.00 0.00 179.25 179.69 5pgm h SER 126 N 0.00 0.00 -2.57 0.00 0.02 -1.96 -3.46 113.55 105.58 5pgm h SER 126 Ca 0.01 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.36 5pgm h SER 126 Cb 0.30 0.00 0.09 0.00 0.14 0.00 0.00 62.40 62.93 5pgm h SER 126 CO -0.00 0.46 0.42 -0.24 -1.14 0.00 0.00 176.83 176.33 5pgm n SER 127 N -3.06 2.15 0.00 3.07 2.88 -0.95 -4.84 113.62 112.88 5pgm n SER 127 Ca -0.02 1.16 0.08 0.00 -1.33 0.00 0.00 58.87 58.76 5pgm n SER 127 Cb 0.74 -1.36 0.45 0.00 -0.75 0.00 0.00 64.21 63.30 5pgm n SER 127 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 5pgm n PRO 128 N 1.49 0.48 -0.29 -1.46 -0.04 -1.26 -1.99 135.00 131.93 5pgm n PRO 128 Ca 0.11 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 5pgm n PRO 128 Cb 0.31 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.48 5pgm n PRO 128 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 5pgm n PHE 129 N -1.00 0.70 -3.52 0.54 3.72 -1.26 -4.96 117.46 111.68 5pgm n PHE 129 Ca 0.11 -0.57 -0.37 0.00 -0.05 0.00 0.00 57.45 56.57 5pgm n PHE 129 Cb 0.05 -0.09 -0.06 0.00 -0.94 0.00 0.00 39.48 38.44 5pgm n PHE 129 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 5pgm s SER 130 N -1.14 6.60 0.00 4.37 0.15 -0.84 -4.80 113.70 118.04 5pgm s SER 130 Ca 0.32 0.72 0.20 0.00 0.70 0.00 0.00 55.95 57.89 5pgm s SER 130 Cb 0.19 -2.21 0.60 0.00 -1.71 0.00 0.00 66.02 62.90 5pgm s SER 130 CO 0.18 0.19 1.47 0.00 1.20 0.00 0.00 173.24 176.28 5pgm n GLN 131 N 2.81 1.98 -1.82 5.44 3.00 -1.26 -4.94 117.38 122.58 5pgm n GLN 131 Ca -0.13 -1.48 -0.42 0.00 -0.01 0.00 0.00 57.00 54.96 5pgm n GLN 131 Cb 0.52 -1.42 -0.03 0.00 0.00 0.00 0.00 30.24 29.32 5pgm n GLN 131 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 5pgm s LYS 132 N -1.66 4.17 0.00 -1.09 2.20 -1.26 -1.56 119.74 120.53 5pgm s LYS 132 Ca 0.33 2.47 0.00 0.00 -0.36 0.00 0.00 55.97 58.41 5pgm s LYS 132 Cb 0.18 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 5pgm s LYS 132 CO 0.27 -0.78 0.00 0.41 -0.36 0.00 0.00 175.35 174.89 5pgm n GLY 133 N 4.09 0.79 3.77 5.54 0.00 -1.26 -5.03 105.19 113.08 5pgm n GLY 133 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 5pgm n GLY 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 5pgm s ASP 134 N -2.90 6.69 0.38 1.61 1.11 -0.60 -4.93 116.67 118.03 5pgm s ASP 134 Ca 0.00 2.68 0.09 0.00 0.18 0.00 0.00 52.55 55.51 5pgm s ASP 134 Cb 0.00 -2.65 0.85 0.00 1.07 0.00 0.00 42.92 42.20 5pgm s ASP 134 CO 0.00 -0.59 1.92 -0.08 1.18 0.00 0.00 175.17 177.60 5pgm h GLU 135 N 3.25 0.62 0.00 8.23 4.81 -1.96 -2.38 114.58 127.15 5pgm h GLU 135 Ca -0.49 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 5pgm h GLU 135 Cb 1.23 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.47 5pgm h GLU 135 CO 0.65 0.41 0.00 2.89 -0.73 0.00 0.00 179.01 182.23 5pgm n ARG 136 N -4.50 0.25 0.00 1.92 1.85 -1.26 -2.30 116.66 112.62 5pgm n ARG 136 Ca 0.13 0.12 0.00 0.00 -1.00 0.00 0.00 57.85 57.10 5pgm n ARG 136 Cb 0.38 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.29 5pgm n ARG 136 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 5pgm n TYR 137 N -1.21 0.00 0.28 2.89 4.01 -0.90 -4.81 117.16 117.42 5pgm n TYR 137 Ca 0.07 -0.24 0.19 0.00 -0.16 0.00 0.00 57.90 57.76 5pgm n TYR 137 Cb 0.09 -0.02 0.99 0.00 -0.31 0.00 0.00 39.34 40.09 5pgm n TYR 137 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 5pgm h LYS 138 N 0.00 0.00 -0.43 -0.72 2.10 -1.43 -1.67 116.57 114.43 5pgm h LYS 138 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 5pgm h LYS 138 Cb 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 5pgm h LYS 138 CO 0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 5pgm n TYR 139 N -2.79 0.56 -3.91 0.07 4.01 -1.26 -4.93 117.16 108.90 5pgm n TYR 139 Ca -0.02 -0.29 -0.33 0.00 -0.16 0.00 0.00 57.90 57.09 5pgm n TYR 139 Cb 0.07 -0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.05 5pgm n TYR 139 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 5pgm s VAL 140 N -1.38 5.41 -0.29 -0.72 1.01 -0.63 -5.02 120.40 118.77 5pgm s VAL 140 Ca 0.39 -0.18 -0.37 0.00 0.00 0.00 0.00 61.98 61.83 5pgm s VAL 140 Cb 0.23 -3.53 -0.13 0.00 0.00 0.00 0.00 36.38 32.95 5pgm s VAL 140 CO 0.31 0.32 2.01 -0.67 0.00 0.00 0.00 175.10 177.07 5pgm n ASP 141 N 0.93 2.38 -0.07 3.32 2.03 -1.26 -4.83 116.55 119.05 5pgm n ASP 141 Ca -0.11 0.70 0.20 0.00 0.52 0.00 0.00 54.79 56.11 5pgm n ASP 141 Cb 0.52 -1.24 0.65 0.00 -0.72 0.00 0.00 41.12 40.34 5pgm n ASP 141 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 5pgm h PRO 142 N 10.32 0.10 0.00 -0.67 0.11 -1.94 -1.93 132.00 138.00 5pgm h PRO 142 Ca -0.36 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.69 5pgm h PRO 142 Cb 1.31 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 5pgm h PRO 142 CO 0.99 0.07 -0.27 -0.91 -0.21 0.00 0.00 178.00 177.67 5pgm h ASN 143 N 0.11 0.00 1.22 -2.05 2.35 -2.02 -3.17 115.58 112.01 5pgm h ASN 143 Ca 0.31 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.01 5pgm h ASN 143 Cb 1.10 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 5pgm h ASN 143 CO -0.04 0.27 -0.81 1.62 -1.65 0.00 0.00 177.43 176.83 5pgm h VAL 144 N 0.00 0.22 -2.64 2.81 3.04 -1.73 -3.46 116.25 114.49 5pgm h VAL 144 Ca -0.00 -1.37 -0.54 0.00 -1.01 0.00 0.00 66.70 63.77 5pgm h VAL 144 Cb 0.53 1.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.66 5pgm h VAL 144 CO 0.03 0.12 1.05 -0.76 -1.01 0.00 0.00 177.57 177.01 5pgm s LEU 145 N -5.78 4.34 0.56 3.16 1.02 -1.20 -4.98 118.68 115.81 5pgm s LEU 145 Ca 0.01 2.32 -0.20 0.00 0.02 0.00 0.00 54.13 56.29 5pgm s LEU 145 Cb 0.08 -3.54 -0.04 0.00 0.02 0.00 0.00 46.19 42.70 5pgm s LEU 145 CO 0.76 -0.90 1.21 -2.16 0.02 0.00 0.00 176.35 175.28 5pgm s PRO 146 N 3.54 3.14 0.00 1.29 0.04 -1.26 -4.97 135.00 136.77 5pgm s PRO 146 Ca 0.74 1.84 0.08 0.00 0.04 0.00 0.00 61.00 63.69 5pgm s PRO 146 Cb -0.36 -2.03 0.18 0.00 0.04 0.00 0.00 34.50 32.33 5pgm s PRO 146 CO 0.31 -1.08 1.09 0.39 0.04 0.00 0.00 177.00 177.75 5pgm n GLU 147 N -1.35 2.31 0.00 4.56 1.02 -1.26 -4.98 120.64 120.95 5pgm n GLU 147 Ca 0.12 -1.69 0.00 0.00 -0.02 0.00 0.00 57.16 55.57 5pgm n GLU 147 Cb 0.49 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.73 5pgm n GLU 147 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 5pgm n THR 148 N 0.26 0.00 -3.93 2.62 5.66 -1.26 -0.56 114.28 117.07 5pgm n THR 148 Ca 0.07 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.98 5pgm n THR 148 Cb 0.34 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.05 5pgm n THR 148 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 5pgm s GLU 149 N -2.00 1.11 0.35 1.09 2.02 -0.68 -4.88 118.70 115.71 5pgm s GLU 149 Ca 0.00 -1.12 0.08 0.00 0.02 0.00 0.00 54.97 53.96 5pgm s GLU 149 Cb 0.00 0.38 -0.07 0.00 0.10 0.00 0.00 34.13 34.54 5pgm s GLU 149 CO 0.00 -0.40 -0.06 -1.54 0.02 0.00 0.00 175.26 173.28 5pgm s SER 150 N -2.94 3.62 0.49 -0.19 1.04 -1.26 -4.13 113.70 110.32 5pgm s SER 150 Ca 0.15 -1.25 0.14 0.00 0.48 0.00 0.00 55.95 55.47 5pgm s SER 150 Cb 0.03 -0.33 1.16 0.00 0.10 0.00 0.00 66.02 66.98 5pgm s SER 150 CO -0.02 -0.29 2.11 0.25 0.98 0.00 0.00 173.24 176.26 5pgm h LEU 151 N 1.99 0.07 -0.12 2.42 5.85 -1.75 -1.69 115.31 122.08 5pgm h LEU 151 Ca -0.42 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 5pgm h LEU 151 Cb 1.25 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 5pgm h LEU 151 CO 0.73 0.09 0.07 0.00 -0.34 0.00 0.00 178.44 178.99 5pgm h ALA 152 N 1.93 0.16 -0.86 1.25 0.00 -1.42 -1.27 119.26 119.04 5pgm h ALA 152 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 5pgm h ALA 152 Cb 0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 5pgm h ALA 152 CO -0.00 -0.33 0.51 -0.07 0.00 0.00 0.00 179.25 179.37 5pgm h LEU 153 N 0.13 1.05 0.01 0.00 4.07 -1.65 -1.67 115.31 117.24 5pgm h LEU 153 Ca 0.04 -0.07 0.01 0.00 0.08 0.00 0.00 57.88 57.94 5pgm h LEU 153 Cb 0.04 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.50 5pgm h LEU 153 CO -0.01 0.81 -0.03 0.58 -1.08 0.00 0.00 178.44 178.71 5pgm h VAL 154 N 1.19 0.91 -0.45 1.22 2.07 -1.00 -1.23 116.25 118.96 5pgm h VAL 154 Ca 0.31 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.86 5pgm h VAL 154 Cb -0.03 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 5pgm h VAL 154 CO -0.06 0.00 0.30 0.40 0.02 0.00 0.00 177.57 178.23 5pgm h ILE 155 N -0.07 1.05 -0.19 4.57 2.04 -1.01 -1.40 117.51 122.50 5pgm h ILE 155 Ca 0.01 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 5pgm h ILE 155 Cb 0.08 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 5pgm h ILE 155 CO -0.03 0.09 0.10 0.44 0.00 0.00 0.00 178.15 178.75 5pgm h ASP 156 N 0.52 0.25 0.82 1.72 3.32 -0.29 -2.28 116.42 120.47 5pgm h ASP 156 Ca 0.18 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.13 5pgm h ASP 156 Cb 0.08 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.57 5pgm h ASP 156 CO -0.04 0.27 -0.15 -2.11 -1.72 0.00 0.00 179.24 175.49 5pgm n ARG 157 N -4.89 0.04 -0.02 3.56 -4.01 -0.75 -3.97 116.66 106.62 5pgm n ARG 157 Ca -0.04 -0.01 -0.21 0.00 -1.04 0.00 0.00 57.85 56.55 5pgm n ARG 157 Cb 0.08 -1.50 -0.13 0.00 -3.04 0.00 0.00 32.46 27.87 5pgm n ARG 157 CO 0.00 0.00 0.00 1.25 -3.04 0.00 0.00 177.63 175.84 5pgm h LEU 158 N 0.02 0.30 -0.81 2.89 6.46 -1.05 -3.40 115.31 119.73 5pgm h LEU 158 Ca 0.00 -0.81 0.17 0.00 -0.12 0.00 0.00 57.88 57.12 5pgm h LEU 158 Cb 0.49 -0.10 -0.11 0.00 -0.73 0.00 0.00 40.66 40.21 5pgm h LEU 158 CO 0.00 1.65 0.33 -0.07 -0.62 0.00 0.00 178.44 179.73 5pgm h LEU 159 N -0.36 0.29 -1.64 2.25 3.38 -1.54 -2.26 115.31 115.42 5pgm h LEU 159 Ca -0.34 0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.80 5pgm h LEU 159 Cb 1.73 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.56 5pgm h LEU 159 CO 0.01 0.07 0.31 -0.65 0.09 0.00 0.00 178.44 178.26 5pgm h PRO 160 N 0.43 0.44 -0.25 1.13 0.11 -1.77 0.26 132.00 132.36 5pgm h PRO 160 Ca 0.47 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 66.38 5pgm h PRO 160 Cb 0.77 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.78 5pgm h PRO 160 CO -0.45 0.29 -0.51 -0.92 -0.21 0.00 0.00 178.00 176.20 5pgm h TYR 161 N 0.46 0.98 -0.07 0.65 3.20 -1.65 -2.62 116.97 117.92 5pgm h TYR 161 Ca 0.19 -0.36 -0.00 0.00 3.14 0.00 0.00 58.73 61.70 5pgm h TYR 161 Cb 0.20 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 5pgm h TYR 161 CO -0.00 1.17 0.03 2.35 -1.64 0.00 0.00 178.16 180.06 5pgm h TRP 162 N 0.52 0.11 -0.75 -3.82 2.91 -0.95 -1.13 115.95 112.83 5pgm h TRP 162 Ca 0.01 -0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.09 5pgm h TRP 162 Cb 1.12 -0.03 -0.06 0.00 -0.51 0.00 0.00 29.16 29.67 5pgm h TRP 162 CO 0.08 0.24 0.43 1.96 -1.03 0.00 0.00 178.44 180.12 5pgm h GLN 163 N -0.06 0.74 0.00 2.65 4.20 -0.51 0.18 115.11 122.31 5pgm h GLN 163 Ca 0.02 -0.04 -0.38 0.00 0.06 0.00 0.00 58.65 58.31 5pgm h GLN 163 Cb 0.18 -0.17 -0.06 0.00 0.30 0.00 0.00 27.48 27.73 5pgm h GLN 163 CO -0.00 0.49 -2.33 -0.25 -0.67 0.00 0.00 178.83 176.07 5pgm n ASP 164 N -4.75 1.96 -0.03 1.46 9.92 -0.99 -4.49 116.55 119.63 5pgm n ASP 164 Ca 0.11 0.10 -0.02 0.00 -0.53 0.00 0.00 54.79 54.45 5pgm n ASP 164 Cb 0.21 -0.54 -0.01 0.00 -0.64 0.00 0.00 41.12 40.14 5pgm n ASP 164 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 5pgm h VAL 165 N -0.46 0.00 -0.85 2.53 2.07 -1.39 -3.28 116.25 114.87 5pgm h VAL 165 Ca -0.56 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.41 5pgm h VAL 165 Cb 1.66 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 5pgm h VAL 165 CO -0.23 0.00 0.42 0.40 0.02 0.00 0.00 177.57 178.17 5pgm h ILE 166 N -0.51 1.26 -0.27 4.57 2.04 -1.52 -2.24 117.51 120.84 5pgm h ILE 166 Ca 0.00 -0.71 0.02 0.00 1.00 0.00 0.00 64.86 65.17 5pgm h ILE 166 Cb 0.17 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 5pgm h ILE 166 CO 0.00 0.31 0.18 0.00 0.00 0.00 0.00 178.15 178.64 5pgm h ALA 167 N 1.22 1.90 0.07 1.87 0.00 -0.86 -2.12 119.26 121.34 5pgm h ALA 167 Ca 0.29 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 5pgm h ALA 167 Cb 0.11 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 5pgm h ALA 167 CO -0.04 0.07 -0.05 -0.22 0.00 0.00 0.00 179.25 179.01 5pgm h LYS 168 N 0.28 -0.11 -0.62 0.00 3.64 -1.46 0.75 116.57 119.04 5pgm h LYS 168 Ca 0.11 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 5pgm h LYS 168 Cb 0.08 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 5pgm h LYS 168 CO -0.02 -0.08 0.35 -0.44 -2.27 0.00 0.00 179.45 176.99 5pgm h ASP 169 N -0.12 0.76 -0.44 4.20 3.32 -1.48 -1.27 116.42 121.40 5pgm h ASP 169 Ca -0.00 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 5pgm h ASP 169 Cb 0.10 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 5pgm h ASP 169 CO 0.00 0.63 0.05 -0.07 -1.72 0.00 0.00 179.24 178.13 5pgm h LEU 170 N 0.84 0.73 0.00 1.55 -0.00 -1.17 -0.09 115.31 117.17 5pgm h LEU 170 Ca 0.22 -0.28 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 5pgm h LEU 170 Cb 0.02 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.49 5pgm h LEU 170 CO -0.04 0.82 0.00 0.18 -0.00 0.00 0.00 178.44 179.41 5pgm n LEU 171 N -4.44 0.00 -0.68 1.67 4.77 0.24 -1.69 117.00 116.87 5pgm n LEU 171 Ca 0.00 0.47 0.13 0.00 -0.03 0.00 0.00 56.01 56.59 5pgm n LEU 171 Cb 0.26 -0.47 0.32 0.00 -2.33 0.00 0.00 43.42 41.20 5pgm n LEU 171 CO 0.40 -0.16 0.74 -1.20 -1.33 0.00 0.00 177.39 175.84 5pgm n SER 172 N -1.47 2.15 0.00 -1.43 7.64 -0.49 -4.95 113.62 115.06 5pgm n SER 172 Ca 0.05 -1.69 0.00 0.00 1.01 0.00 0.00 58.87 58.24 5pgm n SER 172 Cb 0.21 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 5pgm n SER 172 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 5pgm n GLY 173 N 1.27 0.61 3.77 0.23 0.00 -0.68 -5.05 105.19 105.34 5pgm n GLY 173 Ca 0.16 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 5pgm n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 5pgm s LYS 174 N -0.85 4.34 -0.30 1.61 -0.14 -0.09 -4.97 119.74 119.34 5pgm s LYS 174 Ca 0.00 0.82 -0.28 0.00 -1.36 0.00 0.00 55.97 55.16 5pgm s LYS 174 Cb 0.00 -3.31 0.01 0.00 -1.68 0.00 0.00 37.83 32.85 5pgm s LYS 174 CO 0.00 0.44 0.99 0.99 -0.76 0.00 0.00 175.35 177.01 5pgm s THR 175 N -0.46 4.61 -0.15 2.17 2.01 -1.26 -4.21 115.64 118.34 5pgm s THR 175 Ca 0.32 1.63 -0.07 0.00 0.31 0.00 0.00 61.69 63.88 5pgm s THR 175 Cb -0.19 -4.33 -0.04 0.00 0.01 0.00 0.00 72.50 67.94 5pgm s THR 175 CO 0.19 -0.38 0.09 -0.69 -0.69 0.00 0.00 174.62 173.14 5pgm s VAL 176 N 3.41 5.05 -0.11 3.82 1.01 -0.74 -0.33 120.40 132.52 5pgm s VAL 176 Ca 0.42 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.46 5pgm s VAL 176 Cb -0.13 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 5pgm s VAL 176 CO 0.13 0.54 -0.16 -0.32 0.00 0.00 0.00 175.10 175.30 5pgm s MET 177 N -0.35 3.18 -0.10 2.72 0.00 -0.90 -0.08 119.30 123.77 5pgm s MET 177 Ca 0.10 -0.73 0.03 0.00 0.00 0.00 0.00 55.69 55.09 5pgm s MET 177 Cb -0.12 -2.52 -0.01 0.00 0.00 0.00 0.00 34.83 32.18 5pgm s MET 177 CO 0.01 0.27 -0.18 0.42 0.00 0.00 0.00 175.02 175.54 5pgm s ILE 178 N 0.19 2.61 -0.32 10.11 1.01 0.58 -1.18 121.20 134.19 5pgm s ILE 178 Ca -0.09 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.73 5pgm s ILE 178 Cb -0.15 -2.04 0.08 0.00 0.01 0.00 0.00 42.46 40.36 5pgm s ILE 178 CO 0.05 0.55 0.02 0.00 0.00 0.00 0.00 174.94 175.57 5pgm s ALA 179 N 0.10 2.83 0.00 9.38 0.00 0.09 -1.20 121.76 132.95 5pgm s ALA 179 Ca -0.08 -2.11 0.00 0.00 0.00 0.00 0.00 51.96 49.77 5pgm s ALA 179 Cb -0.15 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 21.03 5pgm s ALA 179 CO 0.05 -1.46 0.00 0.00 0.00 0.00 0.00 175.76 174.36 5pgm n ALA 180 N 4.46 0.00 -2.58 0.00 0.00 -1.04 -3.19 120.51 118.17 5pgm n ALA 180 Ca -0.07 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.10 5pgm n ALA 180 Cb 0.42 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 5pgm n ALA 180 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 5pgm s HIS 181 N 1.89 1.91 0.11 0.00 3.76 -1.26 -3.27 115.29 118.43 5pgm s HIS 181 Ca 0.00 -1.07 -0.28 0.00 -0.15 0.00 0.00 55.06 53.56 5pgm s HIS 181 Cb 0.00 -1.36 -0.09 0.00 1.11 0.00 0.00 32.58 32.24 5pgm s HIS 181 CO 0.00 -0.02 1.63 0.78 -0.85 0.00 0.00 174.74 176.28 5pgm h GLY 182 N 1.73 -0.54 0.83 -2.22 0.00 -1.94 -1.26 103.07 99.67 5pgm h GLY 182 Ca -0.40 0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 5pgm h GLY 182 CO 0.66 -0.23 0.01 3.43 0.00 0.00 0.00 176.54 180.41 5pgm h ASN 183 N -0.51 0.34 -0.60 0.19 2.35 -1.97 -1.74 115.58 113.66 5pgm h ASN 183 Ca 0.02 -0.29 -0.03 0.00 -0.55 0.00 0.00 56.30 55.45 5pgm h ASN 183 Cb 0.52 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.77 5pgm h ASN 183 CO -0.14 0.55 0.27 0.77 -1.65 0.00 0.00 177.43 177.22 5pgm h SER 184 N 0.13 0.83 0.60 5.81 4.64 -1.76 0.29 113.55 124.09 5pgm h SER 184 Ca 0.06 -0.10 -0.24 0.00 -0.47 0.00 0.00 61.79 61.03 5pgm h SER 184 Cb 0.36 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 5pgm h SER 184 CO 0.01 0.73 -1.09 -0.07 -0.87 0.00 0.00 176.83 175.54 5pgm h LEU 185 N 0.90 0.37 -0.29 5.97 3.38 -1.23 -1.89 115.31 122.52 5pgm h LEU 185 Ca 0.22 -0.36 -0.16 0.00 0.09 0.00 0.00 57.88 57.67 5pgm h LEU 185 Cb 0.15 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 5pgm h LEU 185 CO -0.02 1.23 -0.44 0.03 0.09 0.00 0.00 178.44 179.33 5pgm h ARG 186 N 0.10 0.81 -0.72 1.13 3.08 -1.03 0.03 114.38 117.79 5pgm h ARG 186 Ca -0.09 -0.48 0.02 0.00 0.07 0.00 0.00 59.98 59.49 5pgm h ARG 186 Cb 1.79 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.84 5pgm h ARG 186 CO 0.18 1.12 0.46 0.78 -1.07 0.00 0.00 179.97 181.44 5pgm h GLY 187 N 0.58 1.03 1.03 0.04 0.00 -0.42 0.75 103.07 106.08 5pgm h GLY 187 Ca 0.03 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 46.90 5pgm h GLY 187 CO 0.10 0.32 -0.12 -2.00 0.00 0.00 0.00 176.54 174.84 5pgm h LEU 188 N 0.92 0.88 -0.93 3.11 5.85 -1.12 -2.39 115.31 121.62 5pgm h LEU 188 Ca 0.28 -0.37 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 5pgm h LEU 188 Cb -0.03 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 5pgm h LEU 188 CO -0.09 1.04 0.09 0.58 -0.34 0.00 0.00 178.44 179.73 5pgm h VAL 189 N 0.70 1.24 -0.51 1.05 2.07 -0.67 0.08 116.25 120.21 5pgm h VAL 189 Ca 0.11 -0.91 0.03 0.00 0.82 0.00 0.00 66.70 66.75 5pgm h VAL 189 Cb 0.67 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 5pgm h VAL 189 CO 0.05 0.34 0.29 0.50 0.02 0.00 0.00 177.57 178.76 5pgm h LYS 190 N 0.83 0.55 -0.47 1.57 3.64 -0.68 -0.17 116.57 121.84 5pgm h LYS 190 Ca 0.17 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 5pgm h LYS 190 Cb 0.37 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 5pgm h LYS 190 CO 0.01 0.36 0.00 1.25 -2.27 0.00 0.00 179.45 178.80 5pgm h HIS 191 N 0.56 0.91 -0.28 1.91 2.76 -0.91 -0.01 115.15 120.09 5pgm h HIS 191 Ca 0.21 -0.16 -0.13 0.00 -2.20 0.00 0.00 60.37 58.09 5pgm h HIS 191 Cb 0.07 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.78 5pgm h HIS 191 CO -0.08 0.87 -0.37 -0.07 -1.30 0.00 0.00 177.93 176.97 5pgm h LEU 192 N 0.69 0.68 0.00 0.26 3.38 -0.54 -3.29 115.31 116.48 5pgm h LEU 192 Ca 0.13 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.81 5pgm h LEU 192 Cb 0.50 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.06 5pgm h LEU 192 CO 0.02 0.98 -1.31 -0.62 0.09 0.00 0.00 178.44 177.60 5pgm n GLU 193 N -4.05 0.32 -2.50 1.13 1.02 -0.11 -4.48 120.64 111.98 5pgm n GLU 193 Ca -0.01 -0.06 -0.03 0.00 -0.02 0.00 0.00 57.16 57.03 5pgm n GLU 193 Cb 0.51 -1.55 0.01 0.00 -0.02 0.00 0.00 31.44 30.39 5pgm n GLU 193 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 5pgm n GLY 194 N 1.37 0.57 3.75 0.62 0.00 -0.08 -5.03 105.19 106.38 5pgm n GLY 194 Ca 0.01 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.15 5pgm n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 5pgm s ILE 195 N -3.05 4.44 0.56 -0.61 1.01 -0.80 -5.02 121.20 117.72 5pgm s ILE 195 Ca 0.06 1.90 -0.20 0.00 0.00 0.00 0.00 60.65 62.41 5pgm s ILE 195 Cb -0.02 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.16 5pgm s ILE 195 CO 0.11 0.41 1.22 -0.94 0.00 0.00 0.00 174.94 175.74 5pgm s SER 196 N -0.49 5.40 0.63 3.58 1.04 -1.26 -4.85 113.70 117.76 5pgm s SER 196 Ca 0.41 2.42 0.23 0.00 0.48 0.00 0.00 55.95 59.49 5pgm s SER 196 Cb -0.23 -2.60 1.23 0.00 0.10 0.00 0.00 66.02 64.51 5pgm s SER 196 CO 0.28 -1.45 1.68 0.44 0.98 0.00 0.00 173.24 175.17 5pgm h ASP 197 N 1.19 0.00 0.37 7.02 5.19 -2.00 -0.45 116.42 127.75 5pgm h ASP 197 Ca -0.50 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 55.63 5pgm h ASP 197 Cb 1.29 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.75 5pgm h ASP 197 CO 0.56 0.00 -1.86 0.00 -3.12 0.00 0.00 179.24 174.82 5pgm n ALA 198 N -1.78 1.63 0.81 3.45 0.00 -1.26 -4.53 120.51 118.83 5pgm n ALA 198 Ca -0.02 -0.88 0.11 0.00 0.00 0.00 0.00 53.44 52.65 5pgm n ALA 198 Cb 0.50 -0.68 -0.06 0.00 0.00 0.00 0.00 19.45 19.21 5pgm n ALA 198 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 5pgm n ASP 199 N -2.90 0.76 0.20 0.00 8.00 -0.19 -4.46 116.55 117.96 5pgm n ASP 199 Ca -0.20 -0.68 0.04 0.00 0.71 0.00 0.00 54.79 54.67 5pgm n ASP 199 Cb 1.02 1.01 0.42 0.00 -0.02 0.00 0.00 41.12 43.55 5pgm n ASP 199 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 5pgm h ILE 200 N 0.00 1.11 -0.02 0.53 6.09 -1.75 -2.56 117.51 120.91 5pgm h ILE 200 Ca 0.00 -1.16 0.01 0.00 -1.37 0.00 0.00 64.86 62.33 5pgm h ILE 200 Cb 0.60 1.65 -0.00 0.00 0.47 0.00 0.00 36.82 39.53 5pgm h ILE 200 CO 0.00 0.32 0.05 0.00 -3.07 0.00 0.00 178.15 175.44 5pgm h ALA 201 N 1.67 1.27 0.00 0.18 0.00 -1.85 -1.16 119.26 119.37 5pgm h ALA 201 Ca -0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 5pgm h ALA 201 Cb 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 5pgm h ALA 201 CO 0.04 -0.05 -0.82 0.87 0.00 0.00 0.00 179.25 179.29 5pgm h LYS 202 N 0.00 0.00 -6.36 0.00 1.57 -1.77 -3.46 116.57 106.55 5pgm h LYS 202 Ca 0.01 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.25 5pgm h LYS 202 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 5pgm h LYS 202 CO -0.00 0.49 0.88 -1.17 -0.57 0.00 0.00 179.45 179.08 5pgm s LEU 203 N -6.29 4.32 -0.12 2.94 2.96 -0.44 -5.01 118.68 117.04 5pgm s LEU 203 Ca 0.02 2.15 0.02 0.00 -0.22 0.00 0.00 54.13 56.09 5pgm s LEU 203 Cb 0.08 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.21 5pgm s LEU 203 CO 0.77 -0.76 -0.18 0.21 -1.32 0.00 0.00 176.35 175.07 5pgm s ASN 204 N 2.07 3.56 -0.31 3.68 2.47 -1.26 -5.06 114.94 120.09 5pgm s ASN 204 Ca 0.65 -0.45 -0.09 0.00 0.42 0.00 0.00 52.86 53.39 5pgm s ASN 204 Cb -0.32 -1.52 -0.00 0.00 -1.45 0.00 0.00 41.25 37.96 5pgm s ASN 204 CO 0.27 0.15 0.14 -0.63 -3.72 0.00 0.00 177.10 173.31 5pgm s ILE 205 N 0.40 4.50 0.28 -5.21 1.01 -1.26 -5.07 121.20 115.86 5pgm s ILE 205 Ca -0.14 -0.47 -0.30 0.00 0.00 0.00 0.00 60.65 59.74 5pgm s ILE 205 Cb -0.17 -3.30 -0.12 0.00 0.01 0.00 0.00 42.46 38.88 5pgm s ILE 205 CO 0.06 0.06 1.45 -2.65 0.00 0.00 0.00 174.94 173.87 5pgm n PRO 206 N 4.96 2.31 -2.58 2.79 -0.02 -1.26 -4.99 135.00 136.21 5pgm n PRO 206 Ca -0.14 0.82 -0.35 0.00 -2.02 0.00 0.00 63.50 61.81 5pgm n PRO 206 Cb 0.49 -2.50 -0.04 0.00 -0.02 0.00 0.00 33.50 31.42 5pgm n PRO 206 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 5pgm s THR 207 N -0.30 3.84 -0.87 3.45 -4.23 -1.26 -4.06 115.64 112.20 5pgm s THR 207 Ca 0.63 1.22 0.00 0.00 -1.18 0.00 0.00 61.69 62.36 5pgm s THR 207 Cb -0.57 -3.53 0.00 0.00 1.34 0.00 0.00 72.50 69.74 5pgm s THR 207 CO 0.53 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 175.04 5pgm n GLY 208 N -0.13 0.89 2.96 3.99 0.00 -0.09 -4.92 105.19 107.89 5pgm n GLY 208 Ca 0.08 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 5pgm n GLY 208 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 5pgm s ILE 209 N -1.95 1.20 0.27 -0.61 1.01 -1.26 -3.74 121.20 116.13 5pgm s ILE 209 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 60.65 59.93 5pgm s ILE 209 Cb 0.00 -1.17 -0.11 0.00 0.01 0.00 0.00 42.46 41.19 5pgm s ILE 209 CO 0.00 0.39 1.53 -2.84 0.00 0.00 0.00 174.94 174.03 5pgm s PRO 210 N 1.50 4.18 -0.25 2.79 0.02 -1.26 -4.55 135.00 137.44 5pgm s PRO 210 Ca 0.02 2.47 -0.04 0.00 0.02 0.00 0.00 61.00 63.47 5pgm s PRO 210 Cb -0.13 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.34 5pgm s PRO 210 CO -0.07 -0.55 -0.02 -1.17 -0.33 0.00 0.00 177.00 174.86 5pgm s LEU 211 N -0.44 3.20 -0.20 -5.54 0.20 -0.10 -0.74 118.68 115.05 5pgm s LEU 211 Ca 0.62 -0.59 -0.09 0.00 0.69 0.00 0.00 54.13 54.76 5pgm s LEU 211 Cb -0.45 -1.75 -0.05 0.00 -0.43 0.00 0.00 46.19 43.51 5pgm s LEU 211 CO 0.46 -0.09 0.11 -0.69 -0.29 0.00 0.00 176.35 175.85 5pgm s VAL 212 N 1.45 5.12 -0.23 1.68 1.01 0.32 -0.36 120.40 129.39 5pgm s VAL 212 Ca 0.04 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 5pgm s VAL 212 Cb -0.16 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 32.90 5pgm s VAL 212 CO -0.02 0.43 -0.08 -0.36 0.00 0.00 0.00 175.10 175.06 5pgm s PHE 213 N 0.53 2.98 -0.24 5.22 0.40 0.20 -2.25 117.98 124.83 5pgm s PHE 213 Ca 0.06 -1.39 -0.20 0.00 -0.60 0.00 0.00 56.93 54.80 5pgm s PHE 213 Cb -0.12 -2.05 -0.02 0.00 0.51 0.00 0.00 43.02 41.34 5pgm s PHE 213 CO 0.00 -0.69 0.63 -1.21 0.70 0.00 0.00 175.22 174.65 5pgm s GLU 214 N 1.36 4.13 0.15 0.44 2.02 -1.26 -0.99 118.70 124.55 5pgm s GLU 214 Ca 0.03 0.55 0.06 0.00 0.02 0.00 0.00 54.97 55.63 5pgm s GLU 214 Cb -0.15 -3.64 -0.04 0.00 0.10 0.00 0.00 34.13 30.40 5pgm s GLU 214 CO -0.06 -0.38 0.00 -0.51 0.02 0.00 0.00 175.26 174.34 5pgm s LEU 215 N 2.39 3.37 0.00 1.80 1.43 0.52 -1.69 118.68 126.50 5pgm s LEU 215 Ca 0.26 -0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 53.02 5pgm s LEU 215 Cb -0.16 -2.05 0.16 0.00 0.03 0.00 0.00 46.19 44.17 5pgm s LEU 215 CO 0.09 0.12 1.05 -0.90 0.23 0.00 0.00 176.35 176.94 5pgm n ASP 216 N 0.11 1.18 0.00 2.29 5.68 0.31 -2.03 116.55 124.08 5pgm n ASP 216 Ca -0.10 -2.05 0.00 0.00 -0.50 0.00 0.00 54.79 52.14 5pgm n ASP 216 Cb 0.54 -0.70 0.00 0.00 -1.14 0.00 0.00 41.12 39.82 5pgm n ASP 216 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 5pgm n GLU 217 N -3.00 0.00 -0.21 0.11 0.00 -1.26 0.31 120.64 116.59 5pgm n GLU 217 Ca 0.17 0.36 0.09 0.00 0.00 0.00 0.00 57.16 57.78 5pgm n GLU 217 Cb 0.59 -1.63 0.20 0.00 0.00 0.00 0.00 31.44 30.60 5pgm n GLU 217 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 5pgm n ASN 218 N -1.36 3.21 -2.43 -1.84 3.02 -1.26 -4.95 115.26 109.65 5pgm n ASN 218 Ca 0.00 -1.94 -0.20 0.00 -0.03 0.00 0.00 54.58 52.42 5pgm n ASN 218 Cb 0.13 -0.28 0.01 0.00 -0.61 0.00 0.00 39.78 39.03 5pgm n ASN 218 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 5pgm n LEU 219 N 1.04 -2.20 -4.47 3.41 4.77 0.15 -5.00 117.00 114.70 5pgm n LEU 219 Ca 0.16 -0.13 -0.32 0.00 -0.03 0.00 0.00 56.01 55.69 5pgm n LEU 219 Cb 0.50 -2.73 -0.13 0.00 -2.33 0.00 0.00 43.42 38.73 5pgm n LEU 219 CO 0.12 -0.01 -0.47 -0.54 -1.33 0.00 0.00 177.39 175.16 5pgm s LYS 220 N -5.25 2.30 0.06 3.23 -0.14 -1.26 -4.83 119.74 113.85 5pgm s LYS 220 Ca 0.13 -0.84 -0.36 0.00 -1.36 0.00 0.00 55.97 53.54 5pgm s LYS 220 Cb -0.06 -2.28 -0.16 0.00 -1.68 0.00 0.00 37.83 33.65 5pgm s LYS 220 CO 0.16 0.58 1.43 -2.30 -0.76 0.00 0.00 175.35 174.47 5pgm n PRO 221 N 1.92 1.35 0.00 -1.68 -0.02 -1.26 -0.53 135.00 134.78 5pgm n PRO 221 Ca -0.16 0.49 0.11 0.00 -2.02 0.00 0.00 63.50 61.91 5pgm n PRO 221 Cb 0.52 -2.16 0.05 0.00 -0.02 0.00 0.00 33.50 31.88 5pgm n PRO 221 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 5pgm n SER 222 N 3.06 0.76 -3.52 2.55 3.41 -0.68 -4.76 113.62 114.44 5pgm n SER 222 Ca 0.19 -0.63 -0.13 0.00 -0.26 0.00 0.00 58.87 58.04 5pgm n SER 222 Cb 0.20 0.68 -0.04 0.00 -0.26 0.00 0.00 64.21 64.79 5pgm n SER 222 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 5pgm s LYS 223 N -3.01 0.92 0.50 4.33 -2.85 -1.26 -5.06 119.74 113.31 5pgm s LYS 223 Ca 0.09 0.02 -0.23 0.00 -1.00 0.00 0.00 55.97 54.85 5pgm s LYS 223 Cb 0.17 0.43 -0.07 0.00 -2.06 0.00 0.00 37.83 36.29 5pgm s LYS 223 CO 0.79 -0.33 1.23 -0.35 0.10 0.00 0.00 175.35 176.80 5pgm n PRO 224 N 0.46 1.62 -0.60 1.78 -0.04 -1.26 -4.64 135.00 132.33 5pgm n PRO 224 Ca -0.14 0.59 -0.31 0.00 -0.04 0.00 0.00 63.50 63.60 5pgm n PRO 224 Cb 0.59 -2.40 0.20 0.00 -0.04 0.00 0.00 33.50 31.86 5pgm n PRO 224 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 5pgm n SER 225 N -0.40 -2.13 -3.64 3.54 3.41 -1.26 -4.85 113.62 108.29 5pgm n SER 225 Ca 0.09 -0.13 -0.10 0.00 -0.26 0.00 0.00 58.87 58.48 5pgm n SER 225 Cb 0.43 -1.08 -0.07 0.00 -0.26 0.00 0.00 64.21 63.23 5pgm n SER 225 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 5pgm s TYR 226 N -2.30 -0.96 0.53 7.33 -0.85 -0.95 -4.98 117.35 115.16 5pgm s TYR 226 Ca 0.61 2.05 -0.16 0.00 -0.52 0.00 0.00 57.07 59.04 5pgm s TYR 226 Cb -0.17 0.50 -0.07 0.00 0.38 0.00 0.00 41.96 42.59 5pgm s TYR 226 CO 0.66 -0.47 1.00 0.71 -1.52 0.00 0.00 175.55 175.92 5pgm s TYR 227 N 1.17 3.40 -0.66 -3.49 2.02 -1.26 -0.52 117.35 118.02 5pgm s TYR 227 Ca -0.06 1.47 0.25 0.00 -0.37 0.00 0.00 57.07 58.36 5pgm s TYR 227 Cb -0.05 -2.81 0.87 0.00 -0.40 0.00 0.00 41.96 39.57 5pgm s TYR 227 CO -0.12 -0.46 1.76 1.28 -1.57 0.00 0.00 175.55 176.43 5pgm n LEU 228 N -1.67 0.76 -3.67 -1.29 4.77 0.08 -3.89 117.00 112.09 5pgm n LEU 228 Ca 0.07 0.60 -0.28 0.00 -0.03 0.00 0.00 56.01 56.37 5pgm n LEU 228 Cb 0.54 -0.40 -0.12 0.00 -2.33 0.00 0.00 43.42 41.11 5pgm n LEU 228 CO 0.47 -0.30 -0.19 -0.62 -1.33 0.00 0.00 177.39 175.42 5pgm s ASP 229 N -4.42 3.34 0.30 -1.43 -1.08 -1.26 -5.00 116.67 107.12 5pgm s ASP 229 Ca 0.09 -3.22 0.05 0.00 -0.52 0.00 0.00 52.55 48.94 5pgm s ASP 229 Cb 0.11 -1.06 0.68 0.00 -1.46 0.00 0.00 42.92 41.20 5pgm s ASP 229 CO 0.53 -0.17 1.81 -0.65 0.52 0.00 0.00 175.17 177.21 5pgm h PRO 230 N 5.88 0.82 -0.05 4.34 0.11 -1.98 -1.94 132.00 139.18 5pgm h PRO 230 Ca 0.14 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.14 5pgm h PRO 230 Cb 0.86 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.78 5pgm h PRO 230 CO 0.53 0.55 -0.20 0.93 -0.21 0.00 0.00 178.00 179.59 5pgm h GLU 231 N 0.85 0.23 0.00 1.05 3.07 -1.95 -1.69 114.58 116.14 5pgm h GLU 231 Ca 0.54 -0.18 -0.01 0.00 -0.50 0.00 0.00 59.36 59.21 5pgm h GLU 231 Cb 0.73 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.67 5pgm h GLU 231 CO -0.32 0.82 -0.05 0.00 -1.40 0.00 0.00 179.01 178.06 5pgm h ALA 232 N 0.42 1.62 0.11 3.43 0.00 -1.97 -2.85 119.26 120.02 5pgm h ALA 232 Ca -0.01 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.55 5pgm h ALA 232 Cb 0.84 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 5pgm h ALA 232 CO 0.04 0.06 -1.52 0.00 0.00 0.00 0.00 179.25 177.83 5pgm h ALA 233 N 1.95 0.29 -0.03 0.00 0.00 -1.35 -3.51 119.26 116.61 5pgm h ALA 233 Ca -0.00 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.79 5pgm h ALA 233 Cb 0.10 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.17 5pgm h ALA 233 CO 0.01 1.15 0.00 0.00 0.00 0.00 0.00 179.25 180.41