#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 0.73 -0.02 0.54 2.20 -1.26 -0.41 119.74 121.52 5pgm s LYS 2 Ca 0.00 -0.19 0.02 0.00 -0.36 0.00 0.00 55.97 55.45 5pgm s LYS 2 Cb 0.00 -0.72 0.00 0.00 -1.51 0.00 0.00 37.83 35.60 5pgm s LYS 2 CO 0.00 0.04 -0.08 -1.17 -0.36 0.00 0.00 175.35 173.77 5pgm s LEU 3 N 0.38 1.85 -0.10 5.43 2.96 0.17 -1.60 118.68 127.76 5pgm s LEU 3 Ca -0.05 -0.17 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 5pgm s LEU 3 Cb -0.09 -0.49 0.01 0.00 0.50 0.00 0.00 46.19 46.12 5pgm s LEU 3 CO 0.00 0.07 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.24 5pgm s VAL 4 N 0.09 1.62 -0.14 1.68 1.01 -0.05 -0.17 120.40 124.44 5pgm s VAL 4 Ca -0.01 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 5pgm s VAL 4 Cb -0.07 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 5pgm s VAL 4 CO 0.00 0.46 -0.01 -0.76 0.00 0.00 0.00 175.10 174.79 5pgm s LEU 5 N 0.73 3.42 -0.16 3.92 1.43 0.42 -0.46 118.68 127.99 5pgm s LEU 5 Ca -0.12 -0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 52.95 5pgm s LEU 5 Cb -0.16 -1.82 0.04 0.00 0.03 0.00 0.00 46.19 44.28 5pgm s LEU 5 CO 0.02 0.23 -0.05 -0.69 0.23 0.00 0.00 176.35 176.09 5pgm s VAL 6 N 0.01 1.06 -0.10 -1.59 1.01 0.08 -0.92 120.40 119.95 5pgm s VAL 6 Ca 0.02 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.27 5pgm s VAL 6 Cb -0.13 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 5pgm s VAL 6 CO 0.02 0.16 0.45 -0.60 0.00 0.00 0.00 175.10 175.13 5pgm s ARG 7 N 1.66 4.26 0.72 2.72 3.52 -1.26 -2.07 118.95 128.50 5pgm s ARG 7 Ca 0.01 0.41 -0.13 0.00 -0.13 0.00 0.00 55.73 55.89 5pgm s ARG 7 Cb -0.15 -3.39 0.03 0.00 -1.56 0.00 0.00 34.95 29.88 5pgm s ARG 7 CO -0.08 0.27 1.12 -3.38 -0.81 0.00 0.00 175.30 172.42 5pgm s HIS 8 N 0.28 2.47 0.05 5.12 -3.43 -1.22 -0.75 115.29 117.80 5pgm s HIS 8 Ca 0.24 1.58 -0.01 0.00 -0.80 0.00 0.00 55.06 56.07 5pgm s HIS 8 Cb -0.15 -3.18 0.01 0.00 -1.43 0.00 0.00 32.58 27.83 5pgm s HIS 8 CO 0.10 -1.92 0.07 0.41 -2.00 0.00 0.00 174.74 171.41 5pgm n GLY 9 N -0.56 -0.70 3.76 -1.38 0.00 -1.26 -4.50 105.19 100.54 5pgm n GLY 9 Ca 0.10 -1.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.00 5pgm n GLY 9 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 5pgm s GLN 10 N -3.02 3.49 0.53 1.61 -2.07 -1.26 -4.84 119.66 114.11 5pgm s GLN 10 Ca 0.04 2.18 0.01 0.00 -1.82 0.00 0.00 55.36 55.77 5pgm s GLN 10 Cb -0.00 -2.44 0.03 0.00 -1.09 0.00 0.00 33.01 29.50 5pgm s GLN 10 CO 0.03 -0.89 0.76 -1.54 -1.32 0.00 0.00 175.29 172.33 5pgm s SER 11 N -0.90 5.38 0.43 12.60 1.04 -1.26 -1.49 113.70 129.50 5pgm s SER 11 Ca 0.66 0.05 0.11 0.00 0.48 0.00 0.00 55.95 57.25 5pgm s SER 11 Cb -0.39 -1.01 0.97 0.00 0.10 0.00 0.00 66.02 65.70 5pgm s SER 11 CO 0.47 -1.06 2.03 -0.33 0.98 0.00 0.00 173.24 175.33 5pgm h GLU 12 N 0.12 0.43 -0.01 4.02 5.08 -1.18 -1.49 114.58 121.55 5pgm h GLU 12 Ca -0.43 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 57.72 5pgm h GLU 12 Cb 1.29 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 5pgm h GLU 12 CO 0.53 0.29 -0.81 -1.49 -1.00 0.00 0.00 179.01 176.53 5pgm h TRP 13 N 0.45 0.27 -0.49 4.33 4.06 -1.89 -2.93 115.95 119.74 5pgm h TRP 13 Ca 0.20 -0.14 -0.00 0.00 2.06 0.00 0.00 58.89 61.01 5pgm h TRP 13 Cb 0.24 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.34 5pgm h TRP 13 CO -0.00 0.91 0.29 -0.97 -3.56 0.00 0.00 178.44 175.11 5pgm h ASN 14 N 0.11 0.59 -0.88 -3.49 -0.73 -1.47 -0.51 115.58 109.20 5pgm h ASN 14 Ca -0.03 -0.06 0.06 0.00 1.87 0.00 0.00 56.30 58.14 5pgm h ASN 14 Cb 1.40 -0.15 -0.06 0.00 0.27 0.00 0.00 38.32 39.79 5pgm h ASN 14 CO 0.12 0.48 0.57 -0.33 -0.37 0.00 0.00 177.43 177.90 5pgm h GLU 15 N 0.65 0.97 -0.35 6.67 5.08 -1.49 0.47 114.58 126.58 5pgm h GLU 15 Ca 0.17 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 5pgm h GLU 15 Cb -0.00 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.03 5pgm h GLU 15 CO -0.03 0.64 0.00 1.63 -1.00 0.00 0.00 179.01 180.25 5pgm n LYS 16 N -4.48 1.82 -3.71 2.33 5.02 -0.70 -4.96 118.16 113.48 5pgm n LYS 16 Ca 0.13 -1.28 -0.25 0.00 -2.02 0.00 0.00 58.31 54.88 5pgm n LYS 16 Cb 0.19 -1.28 0.06 0.00 -0.02 0.00 0.00 35.03 33.98 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 0.54 -5.16 -4.47 4.39 4.05 0.15 -4.92 115.26 109.85 5pgm n ASN 17 Ca 0.12 -0.65 -0.33 0.00 0.45 0.00 0.00 54.58 54.17 5pgm n ASN 17 Cb 0.30 -4.57 -0.13 0.00 1.23 0.00 0.00 39.78 36.61 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 -7.19 2.78 0.10 1.20 1.43 -0.41 -1.00 118.68 115.57 5pgm s LEU 18 Ca 0.53 -0.19 -0.31 0.00 -1.03 0.00 0.00 54.13 53.13 5pgm s LEU 18 Cb -0.25 -1.57 -0.07 0.00 0.03 0.00 0.00 46.19 44.32 5pgm s LEU 18 CO 0.77 0.32 1.38 -0.36 0.23 0.00 0.00 176.35 178.70 5pgm s PHE 19 N -0.60 3.20 -0.04 0.29 0.08 -0.70 -4.34 117.98 115.87 5pgm s PHE 19 Ca 0.09 0.95 -0.04 0.00 0.12 0.00 0.00 56.93 58.05 5pgm s PHE 19 Cb -0.11 -3.67 -0.01 0.00 -0.57 0.00 0.00 43.02 38.66 5pgm s PHE 19 CO 0.01 -2.34 -0.07 2.41 -0.10 0.00 0.00 175.22 175.13 5pgm n THR 20 N 4.05 0.37 0.00 0.64 -1.04 -1.26 0.88 114.28 117.92 5pgm n THR 20 Ca 0.12 0.42 0.00 0.00 -2.04 0.00 0.00 64.05 62.54 5pgm n THR 20 Cb 0.43 -1.72 0.00 0.00 -1.82 0.00 0.00 70.33 67.21 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 1.59 3.01 0.69 3.41 0.00 -1.26 -2.04 105.19 110.58 5pgm n GLY 21 Ca -0.03 0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.14 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 9.17 0.24 -2.20 1.61 7.02 -1.26 -4.63 117.44 127.40 5pgm n TRP 22 Ca 0.00 -0.12 -0.42 0.00 -1.02 0.00 0.00 57.50 55.94 5pgm n TRP 22 Cb 0.00 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 5pgm n TRP 22 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 5pgm s VAL 23 N -1.76 3.34 -1.47 -0.99 1.01 -0.86 -4.86 120.40 114.82 5pgm s VAL 23 Ca 0.34 0.98 -0.13 0.00 0.00 0.00 0.00 61.98 63.17 5pgm s VAL 23 Cb 0.19 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 5pgm s VAL 23 CO 0.28 0.09 2.42 -0.67 0.00 0.00 0.00 175.10 177.22 5pgm n ASP 24 N 3.74 5.21 -4.78 3.32 2.03 -1.26 -4.95 116.55 119.87 5pgm n ASP 24 Ca 0.10 -2.75 -0.37 0.00 0.52 0.00 0.00 54.79 52.30 5pgm n ASP 24 Cb 0.43 -1.60 -0.06 0.00 -0.72 0.00 0.00 41.12 39.17 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 3.00 4.08 0.48 5.18 1.01 -1.26 -4.88 120.40 128.01 5pgm s VAL 25 Ca 0.54 1.73 -0.21 0.00 0.00 0.00 0.00 61.98 64.03 5pgm s VAL 25 Cb 0.15 -3.96 -0.08 0.00 0.00 0.00 0.00 36.38 32.49 5pgm s VAL 25 CO -0.07 0.14 1.06 -0.75 0.00 0.00 0.00 175.10 175.48 5pgm s LYS 26 N -2.07 3.78 0.47 2.72 2.20 -1.26 -3.85 119.74 121.73 5pgm s LYS 26 Ca 0.51 1.45 -0.22 0.00 -0.36 0.00 0.00 55.97 57.35 5pgm s LYS 26 Cb -0.20 -2.17 -0.07 0.00 -1.51 0.00 0.00 37.83 33.88 5pgm s LYS 26 CO 0.26 -0.47 1.16 -1.17 -0.36 0.00 0.00 175.35 174.77 5pgm s LEU 27 N -3.38 3.97 0.61 5.43 2.96 -1.26 -0.78 118.68 126.23 5pgm s LEU 27 Ca 0.67 2.30 -0.09 0.00 -0.22 0.00 0.00 54.13 56.79 5pgm s LEU 27 Cb -0.19 -4.29 -0.01 0.00 0.50 0.00 0.00 46.19 42.20 5pgm s LEU 27 CO 0.23 -0.98 0.97 -0.94 -1.32 0.00 0.00 176.35 174.32 5pgm s SER 28 N -1.41 5.81 0.27 3.68 1.04 -0.55 -4.47 113.70 118.06 5pgm s SER 28 Ca 0.65 1.04 -0.03 0.00 0.48 0.00 0.00 55.95 58.09 5pgm s SER 28 Cb -0.28 -2.04 0.56 0.00 0.10 0.00 0.00 66.02 64.36 5pgm s SER 28 CO 0.34 -1.02 1.62 0.00 0.98 0.00 0.00 173.24 175.16 5pgm h ALA 29 N -0.29 0.97 0.00 5.32 0.00 -1.96 0.34 119.26 123.64 5pgm h ALA 29 Ca -0.45 0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 5pgm h ALA 29 Cb 1.23 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 5pgm h ALA 29 CO 0.62 -0.46 -0.42 1.57 0.00 0.00 0.00 179.25 180.56 5pgm h LYS 30 N 0.11 0.00 -0.65 0.00 2.10 -1.93 -2.81 116.57 113.39 5pgm h LYS 30 Ca 0.48 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 59.07 5pgm h LYS 30 Cb 0.91 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.21 5pgm h LYS 30 CO -0.72 0.42 0.17 0.78 -2.00 0.00 0.00 179.45 178.10 5pgm h GLY 31 N 1.93 1.09 1.43 0.07 0.00 -0.48 -1.92 103.07 105.19 5pgm h GLY 31 Ca -0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 5pgm h GLY 31 CO 0.05 0.61 0.32 1.46 0.00 0.00 0.00 176.54 178.98 5pgm h GLN 32 N 0.97 0.75 0.00 4.80 4.20 -0.99 -0.75 115.11 124.09 5pgm h GLN 32 Ca 0.21 -0.07 -0.20 0.00 0.06 0.00 0.00 58.65 58.65 5pgm h GLN 32 Cb 0.32 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 5pgm h GLN 32 CO -0.00 0.54 -0.88 1.96 -0.67 0.00 0.00 178.83 179.78 5pgm h GLN 33 N 0.77 0.23 -0.26 1.46 4.20 -1.32 -2.08 115.11 118.10 5pgm h GLN 33 Ca 0.20 -0.25 -0.16 0.00 0.06 0.00 0.00 58.65 58.50 5pgm h GLN 33 Cb -0.00 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 5pgm h GLN 33 CO -0.04 0.97 -0.47 0.93 -0.67 0.00 0.00 178.83 179.56 5pgm h GLU 34 N 0.13 0.69 -0.29 1.46 5.08 -0.99 -1.31 114.58 119.35 5pgm h GLU 34 Ca -0.05 -0.40 0.03 0.00 -1.00 0.00 0.00 59.36 57.94 5pgm h GLU 34 Cb 1.51 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.76 5pgm h GLU 34 CO 0.14 1.01 0.11 0.00 -1.00 0.00 0.00 179.01 179.27 5pgm h ALA 35 N 0.92 0.33 -0.40 3.43 0.00 -0.94 0.20 119.26 122.81 5pgm h ALA 35 Ca 0.03 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.01 5pgm h ALA 35 Cb 1.02 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 5pgm h ALA 35 CO 0.10 -0.29 0.16 0.00 0.00 0.00 0.00 179.25 179.22 5pgm h ALA 36 N 1.17 0.48 -0.43 0.00 0.00 -1.24 -0.48 119.26 118.76 5pgm h ALA 36 Ca 0.13 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 5pgm h ALA 36 Cb 0.08 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 5pgm h ALA 36 CO -0.12 -0.22 0.10 -0.09 0.00 0.00 0.00 179.25 178.91 5pgm h ARG 37 N 0.33 0.64 -0.69 0.00 9.65 -0.87 -1.21 114.38 122.24 5pgm h ARG 37 Ca 0.18 -0.12 -0.03 0.00 -1.10 0.00 0.00 59.98 58.92 5pgm h ARG 37 Cb 0.14 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.58 5pgm h ARG 37 CO -0.17 0.60 0.33 0.00 2.80 0.00 0.00 179.97 183.53 5pgm h ALA 38 N 1.48 0.89 -0.07 2.80 0.00 0.56 -1.62 119.26 123.30 5pgm h ALA 38 Ca 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 5pgm h ALA 38 Cb 0.25 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 5pgm h ALA 38 CO -0.00 0.46 0.02 0.78 0.00 0.00 0.00 179.25 180.51 5pgm h GLY 39 N 0.97 0.12 0.65 0.00 0.00 -0.44 -1.51 103.07 102.86 5pgm h GLY 39 Ca 0.24 -0.07 0.11 0.00 0.00 0.00 0.00 47.33 47.60 5pgm h GLY 39 CO -0.03 0.07 0.59 0.83 0.00 0.00 0.00 176.54 178.00 5pgm h GLU 40 N -0.07 0.87 -0.27 4.80 4.39 -1.09 0.86 114.58 124.07 5pgm h GLU 40 Ca 0.02 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.56 5pgm h GLU 40 Cb 0.21 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 5pgm h GLU 40 CO -0.00 0.57 -0.31 -0.07 -1.16 0.00 0.00 179.01 178.04 5pgm h LEU 41 N 0.89 0.58 0.36 1.33 4.07 -1.09 -0.24 115.31 121.21 5pgm h LEU 41 Ca 0.44 -0.22 -0.02 0.00 0.08 0.00 0.00 57.88 58.15 5pgm h LEU 41 Cb 0.46 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.04 5pgm h LEU 41 CO -0.20 0.86 -0.17 -0.07 -1.08 0.00 0.00 178.44 177.78 5pgm h LEU 42 N 0.48 -0.41 -0.30 1.67 3.38 0.21 -1.34 115.31 119.00 5pgm h LEU 42 Ca 0.06 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.97 5pgm h LEU 42 Cb 0.78 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 5pgm h LEU 42 CO 0.06 -0.14 0.10 0.50 0.09 0.00 0.00 178.44 179.05 5pgm h LYS 43 N -0.67 0.22 -0.66 1.13 3.64 -1.33 -1.41 116.57 117.49 5pgm h LYS 43 Ca -0.05 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 5pgm h LYS 43 Cb 0.48 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 5pgm h LYS 43 CO 0.08 0.14 0.36 1.49 -2.27 0.00 0.00 179.45 179.25 5pgm h GLU 44 N 0.22 0.92 -0.25 1.90 4.81 -1.07 -2.53 114.58 118.59 5pgm h GLU 44 Ca 0.13 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 5pgm h GLU 44 Cb 0.11 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.31 5pgm h GLU 44 CO -0.15 0.70 0.00 1.63 -0.73 0.00 0.00 179.01 180.46 5pgm n LYS 45 N -4.52 1.85 -3.55 1.92 4.76 -0.51 -4.94 118.16 113.17 5pgm n LYS 45 Ca 0.05 -1.29 -0.20 0.00 -2.87 0.00 0.00 58.31 54.00 5pgm n LYS 45 Cb 0.09 -1.38 0.07 0.00 -1.84 0.00 0.00 35.03 31.97 5pgm n LYS 45 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 5pgm n LYS 46 N 0.52 -6.21 -3.79 1.97 5.02 -0.71 -4.99 118.16 109.98 5pgm n LYS 46 Ca 0.16 0.77 -0.37 0.00 -2.02 0.00 0.00 58.31 56.84 5pgm n LYS 46 Cb 0.36 -5.65 -0.12 0.00 -0.02 0.00 0.00 35.03 29.59 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 -3.45 3.50 -0.42 -0.18 1.01 -0.61 -5.05 120.40 115.20 5pgm s VAL 47 Ca 0.09 -1.39 -0.04 0.00 0.00 0.00 0.00 61.98 60.64 5pgm s VAL 47 Cb -0.04 -3.08 0.11 0.00 0.00 0.00 0.00 36.38 33.37 5pgm s VAL 47 CO 0.76 -0.28 0.23 -0.31 0.00 0.00 0.00 175.10 175.50 5pgm s TYR 48 N 1.32 3.56 0.42 5.22 2.02 -1.26 -4.47 117.35 124.15 5pgm s TYR 48 Ca -0.01 -2.32 -0.26 0.00 -0.37 0.00 0.00 57.07 54.12 5pgm s TYR 48 Cb -0.20 -3.28 -0.09 0.00 -0.40 0.00 0.00 41.96 37.99 5pgm s TYR 48 CO 0.00 -0.98 1.38 -2.14 -1.57 0.00 0.00 175.55 172.25 5pgm s PRO 49 N 1.18 3.90 -0.00 -1.71 0.02 -1.26 -4.77 135.00 132.36 5pgm s PRO 49 Ca 0.08 2.33 0.22 0.00 0.02 0.00 0.00 61.00 63.65 5pgm s PRO 49 Cb -0.23 -2.77 -0.30 0.00 0.02 0.00 0.00 34.50 31.22 5pgm s PRO 49 CO -0.04 -0.61 0.54 -0.25 -0.33 0.00 0.00 177.00 176.31 5pgm n ASP 50 N 0.09 0.11 -3.61 2.53 8.00 0.94 -4.96 116.55 119.64 5pgm n ASP 50 Ca 0.04 0.04 -0.16 0.00 0.71 0.00 0.00 54.79 55.42 5pgm n ASP 50 Cb 0.42 1.78 -0.07 0.00 -0.02 0.00 0.00 41.12 43.23 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 -3.48 0.01 0.06 2.53 0.11 -1.16 -4.25 120.40 114.22 5pgm s VAL 51 Ca -0.07 -0.10 0.08 0.00 -2.93 0.00 0.00 61.98 58.96 5pgm s VAL 51 Cb 0.13 -0.87 -0.03 0.00 -1.53 0.00 0.00 36.38 34.07 5pgm s VAL 51 CO 0.89 -0.05 -0.19 -0.22 -3.33 0.00 0.00 175.10 172.20 5pgm s LEU 52 N -0.78 2.58 -0.06 2.54 2.96 -0.12 -1.52 118.68 124.29 5pgm s LEU 52 Ca -0.08 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.36 5pgm s LEU 52 Cb -0.02 -1.49 0.02 0.00 0.50 0.00 0.00 46.19 45.19 5pgm s LEU 52 CO 0.06 0.24 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.95 5pgm s TYR 53 N -0.96 1.00 0.39 5.38 2.02 -0.02 -1.30 117.35 123.85 5pgm s TYR 53 Ca 0.15 -0.33 0.04 0.00 -0.37 0.00 0.00 57.07 56.55 5pgm s TYR 53 Cb -0.10 -0.83 -0.04 0.00 -0.40 0.00 0.00 41.96 40.59 5pgm s TYR 53 CO 0.06 -0.25 0.10 0.95 -1.57 0.00 0.00 175.55 174.85 5pgm s THR 54 N 0.96 0.79 0.24 -0.71 -4.23 -0.23 -0.75 115.64 111.71 5pgm s THR 54 Ca -0.10 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.39 5pgm s THR 54 Cb -0.15 -2.47 0.05 0.00 1.34 0.00 0.00 72.50 71.27 5pgm s THR 54 CO 0.00 0.00 0.33 -1.54 -0.54 0.00 0.00 174.62 172.87 5pgm n SER 55 N -1.10 0.26 -1.45 3.99 3.41 -1.23 -1.45 113.62 116.05 5pgm n SER 55 Ca -0.05 -1.26 0.08 0.00 -0.26 0.00 0.00 58.87 57.38 5pgm n SER 55 Cb 0.66 -0.23 0.32 0.00 -0.26 0.00 0.00 64.21 64.69 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 -1.65 3.42 -3.56 4.33 4.76 -1.21 -4.34 118.16 119.92 5pgm n LYS 56 Ca 0.05 -2.53 -0.37 0.00 -2.87 0.00 0.00 58.31 52.58 5pgm n LYS 56 Cb 0.17 -1.83 -0.09 0.00 -1.84 0.00 0.00 35.03 31.44 5pgm n LYS 56 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 5pgm s LEU 57 N -1.68 4.09 0.29 -0.35 1.43 -1.26 -5.00 118.68 116.21 5pgm s LEU 57 Ca 0.45 0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.77 5pgm s LEU 57 Cb 0.29 -2.23 0.72 0.00 0.03 0.00 0.00 46.19 45.00 5pgm s LEU 57 CO 0.22 -0.02 1.63 0.28 0.23 0.00 0.00 176.35 178.69 5pgm h SER 58 N 7.74 -0.10 -0.66 2.29 0.02 -1.90 -1.47 113.55 119.47 5pgm h SER 58 Ca -0.36 0.22 0.07 0.00 -0.84 0.00 0.00 61.79 60.87 5pgm h SER 58 Cb 1.17 0.31 -0.04 0.00 0.14 0.00 0.00 62.40 63.98 5pgm h SER 58 CO 0.65 -0.21 0.44 0.08 -1.14 0.00 0.00 176.83 176.65 5pgm h ARG 59 N 0.15 0.62 0.12 3.45 0.11 -1.93 0.44 114.38 117.35 5pgm h ARG 59 Ca 0.56 -0.04 -0.28 0.00 0.10 0.00 0.00 59.98 60.33 5pgm h ARG 59 Cb 1.15 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 32.09 5pgm h ARG 59 CO -0.71 0.41 -1.30 0.00 0.10 0.00 0.00 179.97 178.47 5pgm h ALA 60 N 1.64 0.15 0.03 0.08 0.00 -1.61 -2.94 119.26 116.61 5pgm h ALA 60 Ca 0.29 -0.94 -0.00 0.00 0.00 0.00 0.00 54.91 54.26 5pgm h ALA 60 Cb 0.31 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.17 5pgm h ALA 60 CO -0.09 1.02 -0.01 0.82 0.00 0.00 0.00 179.25 180.99 5pgm h ILE 61 N 0.07 1.20 -0.51 0.00 2.04 -0.65 -2.38 117.51 117.28 5pgm h ILE 61 Ca -0.15 -0.73 0.01 0.00 1.00 0.00 0.00 64.86 64.98 5pgm h ILE 61 Cb 1.98 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 39.72 5pgm h ILE 61 CO 0.19 0.19 0.34 -0.61 0.00 0.00 0.00 178.15 178.26 5pgm h GLN 62 N -0.36 0.66 -0.26 2.37 4.15 -0.33 -0.97 115.11 120.37 5pgm h GLN 62 Ca -0.00 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 5pgm h GLN 62 Cb 0.34 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 5pgm h GLN 62 CO 0.01 0.44 0.15 1.15 -1.93 0.00 0.00 178.83 178.64 5pgm h THR 63 N 0.68 1.11 -0.74 2.39 2.02 -1.39 -1.41 112.91 115.57 5pgm h THR 63 Ca 0.19 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 5pgm h THR 63 Cb -0.06 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 5pgm h THR 63 CO -0.04 0.11 0.35 0.00 0.37 0.00 0.00 175.52 176.31 5pgm h ALA 64 N 1.03 0.96 -0.60 6.16 0.00 -0.83 0.17 119.26 126.15 5pgm h ALA 64 Ca 0.09 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.85 5pgm h ALA 64 Cb 0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 5pgm h ALA 64 CO -0.02 0.53 0.40 -0.91 0.00 0.00 0.00 179.25 179.26 5pgm h ASN 65 N 1.05 0.68 -0.02 0.00 -0.26 -0.91 0.25 115.58 116.37 5pgm h ASN 65 Ca 0.25 -0.02 -0.08 0.00 -0.56 0.00 0.00 56.30 55.90 5pgm h ASN 65 Cb 0.13 -0.17 0.01 0.00 -1.06 0.00 0.00 38.32 37.23 5pgm h ASN 65 CO -0.03 0.49 -0.30 0.40 -1.06 0.00 0.00 177.43 176.93 5pgm h ILE 66 N 0.81 1.50 -0.96 2.81 2.04 -1.16 -2.44 117.51 120.10 5pgm h ILE 66 Ca 0.22 -1.88 0.02 0.00 1.00 0.00 0.00 64.86 64.21 5pgm h ILE 66 Cb -0.08 2.63 -0.05 0.00 -0.74 0.00 0.00 36.82 38.57 5pgm h ILE 66 CO -0.05 0.52 0.64 0.00 0.00 0.00 0.00 178.15 179.26 5pgm h ALA 67 N 0.31 1.23 -0.01 1.87 0.00 -0.84 -1.99 119.26 119.83 5pgm h ALA 67 Ca -0.03 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 5pgm h ALA 67 Cb 1.02 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 5pgm h ALA 67 CO 0.06 0.59 -0.54 -0.07 0.00 0.00 0.00 179.25 179.29 5pgm h LEU 68 N 1.28 0.03 -0.13 0.00 3.38 -0.54 -1.50 115.31 117.83 5pgm h LEU 68 Ca 0.36 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 5pgm h LEU 68 Cb -0.11 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 5pgm h LEU 68 CO -0.09 0.57 -0.01 -0.08 0.09 0.00 0.00 178.44 178.92 5pgm h GLU 69 N 0.02 0.23 0.00 1.13 4.22 -0.89 0.14 114.58 119.44 5pgm h GLU 69 Ca -0.00 -0.08 -0.07 0.00 0.08 0.00 0.00 59.36 59.29 5pgm h GLU 69 Cb 0.97 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 5pgm h GLU 69 CO 0.07 0.50 -0.31 0.87 -2.18 0.00 0.00 179.01 177.96 5pgm h LYS 70 N -0.05 0.00 0.00 1.92 1.79 -1.32 -0.97 116.57 117.95 5pgm h LYS 70 Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 5pgm h LYS 70 Cb 0.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 5pgm h LYS 70 CO 0.01 0.31 -0.15 0.00 -1.08 0.00 0.00 179.45 178.54 5pgm n ALA 71 N -2.42 2.57 -2.95 3.86 0.00 -0.57 -4.63 120.51 116.37 5pgm n ALA 71 Ca -0.02 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.15 5pgm n ALA 71 Cb 0.37 -1.38 0.04 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.79 -4.57 -2.03 0.00 8.00 0.27 -4.79 116.55 111.64 5pgm n ASP 72 Ca 0.06 -0.25 -0.05 0.00 0.71 0.00 0.00 54.79 55.26 5pgm n ASP 72 Cb 0.38 -3.30 0.06 0.00 -0.02 0.00 0.00 41.12 38.23 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 -3.04 1.84 0.26 -1.24 1.74 0.01 -4.85 116.66 111.38 5pgm n ARG 73 Ca -0.03 -3.34 0.18 0.00 -0.77 0.00 0.00 57.85 53.89 5pgm n ARG 73 Cb 0.56 -1.45 0.86 0.00 -1.02 0.00 0.00 32.46 31.41 5pgm n ARG 73 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 5pgm h LEU 74 N 1.94 0.00 -0.20 0.55 3.38 -1.90 -3.02 115.31 116.06 5pgm h LEU 74 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 5pgm h LEU 74 Cb 1.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.18 5pgm h LEU 74 CO 0.29 0.00 0.00 -2.67 0.09 0.00 0.00 178.44 176.15 5pgm n TRP 75 N -2.81 0.71 -1.91 1.13 4.27 -1.26 -4.93 117.44 112.64 5pgm n TRP 75 Ca -0.01 0.23 -0.36 0.00 -3.89 0.00 0.00 57.50 53.47 5pgm n TRP 75 Cb 0.15 -0.87 0.04 0.00 -1.36 0.00 0.00 31.31 29.27 5pgm n TRP 75 CO 0.00 0.00 0.00 0.96 -2.29 0.00 0.00 177.69 176.36 5pgm s ILE 76 N -3.14 2.53 0.52 -1.67 -4.36 -1.14 -4.98 121.20 108.96 5pgm s ILE 76 Ca 0.09 0.32 -0.23 0.00 -0.26 0.00 0.00 60.65 60.57 5pgm s ILE 76 Cb 0.12 -3.09 -0.06 0.00 1.25 0.00 0.00 42.46 40.68 5pgm s ILE 76 CO 0.51 -0.08 1.39 -2.84 0.24 0.00 0.00 174.94 174.15 5pgm s PRO 77 N -3.42 3.30 -0.02 0.37 0.02 -1.26 -4.82 135.00 129.17 5pgm s PRO 77 Ca 0.78 2.31 0.02 0.00 0.02 0.00 0.00 61.00 64.12 5pgm s PRO 77 Cb -0.31 -2.38 0.00 0.00 0.02 0.00 0.00 34.50 31.83 5pgm s PRO 77 CO 0.35 -1.09 -0.07 0.54 -0.33 0.00 0.00 177.00 176.40 5pgm s VAL 78 N -1.26 0.63 0.02 3.83 0.11 -1.26 -0.94 120.40 121.53 5pgm s VAL 78 Ca 0.68 -0.29 0.06 0.00 -2.93 0.00 0.00 61.98 59.50 5pgm s VAL 78 Cb -0.42 -0.56 -0.02 0.00 -1.53 0.00 0.00 36.38 33.85 5pgm s VAL 78 CO 0.51 0.20 -0.18 0.20 -3.33 0.00 0.00 175.10 172.49 5pgm s ASN 79 N 0.13 2.17 -0.00 3.54 -0.87 -0.42 -5.00 114.94 114.48 5pgm s ASN 79 Ca -0.02 -0.43 0.06 0.00 -1.57 0.00 0.00 52.86 50.91 5pgm s ASN 79 Cb -0.07 -0.20 -0.02 0.00 -0.02 0.00 0.00 41.25 40.95 5pgm s ASN 79 CO 0.00 0.16 -0.19 -0.13 -2.57 0.00 0.00 177.10 174.37 5pgm s ARG 80 N -0.86 1.47 -0.05 -0.60 0.52 -1.26 -1.07 118.95 117.11 5pgm s ARG 80 Ca 0.06 -0.72 -0.05 0.00 -0.52 0.00 0.00 55.73 54.50 5pgm s ARG 80 Cb -0.08 -1.45 0.01 0.00 0.52 0.00 0.00 34.95 33.95 5pgm s ARG 80 CO 0.01 0.39 0.14 0.45 0.02 0.00 0.00 175.30 176.31 5pgm s SER 81 N -0.58 -0.12 0.52 0.23 0.15 -0.53 -4.96 113.70 108.40 5pgm s SER 81 Ca 0.07 0.22 0.30 0.00 0.70 0.00 0.00 55.95 57.24 5pgm s SER 81 Cb -0.07 0.29 1.36 0.00 -1.71 0.00 0.00 66.02 65.88 5pgm s SER 81 CO -0.00 -0.10 2.00 4.11 1.20 0.00 0.00 173.24 180.45 5pgm h TRP 82 N 5.67 0.00 0.00 3.44 5.08 -1.90 -2.65 115.95 125.59 5pgm h TRP 82 Ca -0.26 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.71 5pgm h TRP 82 Cb 1.20 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 5pgm h TRP 82 CO 0.44 0.11 0.00 0.54 -1.28 0.00 0.00 178.44 178.24 5pgm n ARG 83 N -3.36 0.28 -0.01 0.12 1.74 -1.26 -1.28 116.66 112.90 5pgm n ARG 83 Ca -0.01 0.11 0.08 0.00 -0.77 0.00 0.00 57.85 57.26 5pgm n ARG 83 Cb 0.30 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.31 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 -1.24 2.31 -4.58 0.55 4.77 -1.00 -4.17 117.00 113.64 5pgm n LEU 84 Ca 0.09 -1.05 -0.31 0.00 -0.03 0.00 0.00 56.01 54.71 5pgm n LEU 84 Cb 0.12 -0.01 0.17 0.00 -2.33 0.00 0.00 43.42 41.36 5pgm n LEU 84 CO 0.12 0.43 0.43 0.59 -1.33 0.00 0.00 177.39 177.63 5pgm n ASN 85 N 0.86 -0.54 -4.69 -1.43 4.13 -0.40 -4.34 115.26 108.84 5pgm n ASN 85 Ca 0.09 0.33 -0.30 0.00 1.68 0.00 0.00 54.58 56.38 5pgm n ASN 85 Cb 0.39 -1.38 0.15 0.00 -1.54 0.00 0.00 39.78 37.40 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 -4.33 1.03 0.19 3.52 2.56 -1.26 -4.37 118.70 116.04 5pgm s GLU 86 Ca 0.64 0.93 -0.32 0.00 0.00 0.00 0.00 54.97 56.23 5pgm s GLU 86 Cb -0.22 -1.77 -0.12 0.00 2.00 0.00 0.00 34.13 34.02 5pgm s GLU 86 CO 0.61 -2.43 1.75 0.50 -0.56 0.00 0.00 175.26 175.13 5pgm s ARG 87 N -4.84 4.13 0.20 4.30 3.00 -1.26 -4.71 118.95 119.76 5pgm s ARG 87 Ca 0.64 2.61 -0.30 0.00 -1.00 0.00 0.00 55.73 57.68 5pgm s ARG 87 Cb -0.19 -3.19 -0.09 0.00 0.00 0.00 0.00 34.95 31.48 5pgm s ARG 87 CO 0.58 -0.77 1.42 -1.58 0.00 0.00 0.00 175.30 174.94 5pgm s HIS 88 N 1.52 3.12 -2.35 5.12 5.65 -1.26 -4.30 115.29 122.79 5pgm s HIS 88 Ca 0.76 1.00 0.21 0.00 0.25 0.00 0.00 55.06 57.29 5pgm s HIS 88 Cb -0.49 -3.76 0.66 0.00 -1.18 0.00 0.00 32.58 27.81 5pgm s HIS 88 CO 0.33 -2.53 1.50 0.66 -0.65 0.00 0.00 174.74 174.05 5pgm n TYR 89 N 2.92 0.27 -4.68 3.88 4.01 -1.26 -2.00 117.16 120.30 5pgm n TYR 89 Ca 0.08 -0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 5pgm n TYR 89 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 5pgm n TYR 89 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 5pgm n GLY 90 N 1.22 1.90 0.06 2.72 0.00 -1.26 -2.22 105.19 107.62 5pgm n GLY 90 Ca 0.17 -0.58 0.09 0.00 0.00 0.00 0.00 46.02 45.70 5pgm n GLY 90 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 5pgm n ASP 91 N 1.39 0.30 0.07 1.61 2.03 -0.21 -2.15 116.55 119.59 5pgm n ASP 91 Ca 0.00 0.58 0.12 0.00 0.52 0.00 0.00 54.79 56.01 5pgm n ASP 91 Cb 0.00 -0.64 0.47 0.00 -0.72 0.00 0.00 41.12 40.23 5pgm n ASP 91 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 5pgm n LEU 92 N -1.84 0.46 -4.68 -2.67 4.32 -0.94 -4.78 117.00 106.86 5pgm n LEU 92 Ca 0.03 0.56 -0.42 0.00 -0.02 0.00 0.00 56.01 56.16 5pgm n LEU 92 Cb 0.20 -0.44 -0.03 0.00 -1.62 0.00 0.00 43.42 41.52 5pgm n LEU 92 CO 0.16 -0.22 1.49 -1.10 -1.22 0.00 0.00 177.39 176.51 5pgm s GLN 93 N -3.10 4.14 -0.09 3.23 -0.21 -0.91 -1.70 119.66 121.02 5pgm s GLN 93 Ca 0.10 2.57 0.00 0.00 0.02 0.00 0.00 55.36 58.05 5pgm s GLN 93 Cb 0.13 -3.74 0.00 0.00 1.00 0.00 0.00 33.01 30.40 5pgm s GLN 93 CO 0.49 -0.86 0.00 0.41 -2.12 0.00 0.00 175.29 173.21 5pgm n GLY 94 N 4.29 0.48 3.93 3.09 0.00 0.25 -4.84 105.19 112.40 5pgm n GLY 94 Ca 0.18 -0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.90 3.48 0.19 1.61 -0.14 -0.69 -4.82 119.74 118.48 5pgm s LYS 95 Ca 0.00 -0.42 -0.30 0.00 -1.36 0.00 0.00 55.97 53.89 5pgm s LYS 95 Cb 0.00 -2.94 -0.08 0.00 -1.68 0.00 0.00 37.83 33.13 5pgm s LYS 95 CO 0.00 0.51 1.19 0.34 -0.76 0.00 0.00 175.35 176.63 5pgm s ASP 96 N -2.91 7.10 0.14 2.83 -1.08 -1.26 -1.72 116.67 119.78 5pgm s ASP 96 Ca 0.36 2.23 -0.11 0.00 -0.52 0.00 0.00 52.55 54.52 5pgm s ASP 96 Cb -0.12 -2.61 -0.03 0.00 -1.46 0.00 0.00 42.92 38.70 5pgm s ASP 96 CO 0.28 -0.35 1.50 0.11 0.52 0.00 0.00 175.17 177.22 5pgm h LYS 97 N 5.13 0.95 -0.36 4.34 1.57 -1.42 -1.22 116.57 125.55 5pgm h LYS 97 Ca -0.45 -0.46 -0.11 0.00 -1.87 0.00 0.00 60.65 57.76 5pgm h LYS 97 Cb 1.21 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 5pgm h LYS 97 CO 0.74 1.12 -0.24 0.00 -0.57 0.00 0.00 179.45 180.50 5pgm h ALA 98 N 0.80 0.90 -0.26 3.86 0.00 -1.93 -1.84 119.26 120.79 5pgm h ALA 98 Ca 0.08 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 5pgm h ALA 98 Cb 0.90 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 5pgm h ALA 98 CO 0.08 0.62 -0.31 0.93 0.00 0.00 0.00 179.25 180.58 5pgm h GLU 99 N 0.63 0.53 -0.53 0.00 5.08 -1.93 -2.61 114.58 115.75 5pgm h GLU 99 Ca 0.09 -0.23 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 5pgm h GLU 99 Cb 0.74 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 5pgm h GLU 99 CO 0.06 0.78 -0.03 1.15 -1.00 0.00 0.00 179.01 179.97 5pgm h THR 100 N 0.46 1.27 -0.10 1.13 2.02 -0.98 -2.41 112.91 114.29 5pgm h THR 100 Ca 0.06 -1.14 -0.06 0.00 0.77 0.00 0.00 66.41 66.04 5pgm h THR 100 Cb 0.77 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 5pgm h THR 100 CO 0.06 0.40 -0.20 0.25 0.37 0.00 0.00 175.52 176.41 5pgm h LEU 101 N 0.82 0.15 -0.40 2.58 5.85 -1.15 -2.27 115.31 120.89 5pgm h LEU 101 Ca 0.15 -0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.67 5pgm h LEU 101 Cb 0.57 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 5pgm h LEU 101 CO 0.03 0.37 -0.78 0.50 -0.34 0.00 0.00 178.44 178.22 5pgm h LYS 102 N 0.15 0.00 0.00 1.25 3.64 -1.32 -1.30 116.57 118.99 5pgm h LYS 102 Ca 0.03 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 5pgm h LYS 102 Cb 0.45 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 5pgm h LYS 102 CO 0.03 0.78 -0.39 -0.22 -2.27 0.00 0.00 179.45 177.37 5pgm h LYS 103 N 0.00 0.00 0.00 1.90 3.64 -1.10 -3.38 116.57 117.63 5pgm h LYS 103 Ca -0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 5pgm h LYS 103 Cb 1.40 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.22 5pgm h LYS 103 CO 0.10 0.17 -1.08 1.19 -2.27 0.00 0.00 179.45 177.56 5pgm n PHE 104 N -3.06 0.00 0.00 1.91 3.72 -0.89 -5.10 117.46 114.04 5pgm n PHE 104 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 5pgm n PHE 104 Cb 0.62 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 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 2.51 -0.19 0.27 1.37 0.00 -0.49 -4.08 105.19 104.58 5pgm n GLY 105 Ca -0.01 -1.65 0.14 0.00 0.00 0.00 0.00 46.02 44.50 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 0.00 0.00 1.61 4.81 -1.98 -2.28 114.58 116.75 5pgm h GLU 106 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 5pgm h GLU 106 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 5pgm h GLU 106 CO 0.00 0.00 -0.21 0.93 -0.73 0.00 0.00 179.01 179.00 5pgm h GLU 107 N 0.00 0.00 -0.67 1.92 4.39 -1.96 -3.14 114.58 115.12 5pgm h GLU 107 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 5pgm h GLU 107 Cb 0.43 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 5pgm h GLU 107 CO 0.00 0.00 0.41 -0.22 -1.16 0.00 0.00 179.01 178.04 5pgm h LYS 108 N -0.72 0.90 0.47 2.33 3.64 -1.69 -2.16 116.57 119.33 5pgm h LYS 108 Ca 0.00 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 5pgm h LYS 108 Cb 0.21 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 5pgm h LYS 108 CO 0.00 0.62 -0.23 0.35 -2.27 0.00 0.00 179.45 177.92 5pgm h PHE 109 N 0.92 -0.58 0.00 1.91 3.57 -1.61 -1.06 116.94 120.09 5pgm h PHE 109 Ca 0.24 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 5pgm h PHE 109 Cb -0.06 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 5pgm h PHE 109 CO 0.00 -0.31 -0.05 -0.97 -2.23 0.00 0.00 178.31 174.75 5pgm h ASN 110 N -0.74 0.00 -0.00 0.41 -1.24 -1.48 -1.54 115.58 111.00 5pgm h ASN 110 Ca -0.06 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.83 5pgm h ASN 110 Cb 0.54 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.60 5pgm h ASN 110 CO 0.11 0.05 -0.43 0.74 -1.29 0.00 0.00 177.43 176.60 5pgm h THR 111 N 0.00 1.49 -0.86 -3.57 2.02 -1.06 -0.62 112.91 110.31 5pgm h THR 111 Ca -0.00 -2.02 -0.03 0.00 0.77 0.00 0.00 66.41 65.13 5pgm h THR 111 Cb 0.13 2.69 -0.04 0.00 -1.74 0.00 0.00 68.15 69.19 5pgm h THR 111 CO 0.01 0.57 0.42 1.88 0.37 0.00 0.00 175.52 178.76 5pgm h TYR 112 N -0.30 1.23 0.01 3.16 0.05 -0.63 -2.16 116.97 118.34 5pgm h TYR 112 Ca -0.05 -0.06 -0.14 0.00 0.05 0.00 0.00 58.73 58.52 5pgm h TYR 112 Cb 1.17 -0.38 0.01 0.00 1.01 0.00 0.00 36.73 38.54 5pgm h TYR 112 CO 0.16 0.89 -0.57 0.00 -1.05 0.00 0.00 178.16 177.59 5pgm h ARG 113 N 1.22 0.37 0.00 4.88 3.08 -1.34 -3.42 114.38 119.16 5pgm h ARG 113 Ca 0.30 -0.41 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 5pgm h ARG 113 Cb 0.11 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 5pgm h ARG 113 CO -0.04 1.09 -0.30 0.54 -1.07 0.00 0.00 179.97 180.20 5pgm n ARG 114 N -4.25 0.64 -2.41 0.04 5.12 -0.24 -5.05 116.66 110.51 5pgm n ARG 114 Ca -0.11 -1.84 -0.29 0.00 -1.93 0.00 0.00 57.85 53.68 5pgm n ARG 114 Cb 0.66 -0.97 -0.00 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 -1.97 6.30 0.05 0.55 1.04 -0.81 -4.68 113.70 114.18 5pgm s SER 115 Ca 0.17 1.14 -0.18 0.00 0.48 0.00 0.00 55.95 57.57 5pgm s SER 115 Cb 0.16 -2.34 -0.16 0.00 0.10 0.00 0.00 66.02 63.77 5pgm s SER 115 CO 0.00 -0.65 1.27 0.15 0.98 0.00 0.00 173.24 175.00 5pgm h PHE 116 N 0.22 0.67 0.00 5.02 3.57 -1.88 -3.41 116.94 121.14 5pgm h PHE 116 Ca -0.46 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 60.77 5pgm h PHE 116 Cb 1.20 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.82 5pgm h PHE 116 CO 0.61 1.02 -0.13 -0.40 -2.23 0.00 0.00 178.31 177.18 5pgm n ASP 117 N -4.30 1.15 -4.32 0.41 5.68 -1.26 -0.56 116.55 113.36 5pgm n ASP 117 Ca -0.07 -2.11 -0.43 0.00 -0.50 0.00 0.00 54.79 51.68 5pgm n ASP 117 Cb 0.54 -0.18 -0.08 0.00 -1.14 0.00 0.00 41.12 40.26 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 -1.08 4.76 0.52 2.12 1.01 -1.26 -4.89 120.40 121.58 5pgm s VAL 118 Ca 0.09 -1.32 -0.17 0.00 0.00 0.00 0.00 61.98 60.59 5pgm s VAL 118 Cb 0.08 -3.92 -0.08 0.00 0.00 0.00 0.00 36.38 32.46 5pgm s VAL 118 CO 0.01 -0.61 0.99 -2.16 0.00 0.00 0.00 175.10 173.33 5pgm s PRO 119 N 1.53 3.89 0.93 2.72 0.04 -1.26 -4.58 135.00 138.26 5pgm s PRO 119 Ca 0.04 1.00 -0.12 0.00 0.04 0.00 0.00 61.00 61.96 5pgm s PRO 119 Cb -0.25 -2.13 0.15 0.00 0.04 0.00 0.00 34.50 32.31 5pgm s PRO 119 CO 0.04 -0.32 1.09 -2.14 0.04 0.00 0.00 177.00 175.71 5pgm s PRO 120 N -4.02 1.01 0.64 0.56 0.02 -1.26 -4.96 135.00 126.99 5pgm s PRO 120 Ca 0.60 0.79 -0.18 0.00 0.02 0.00 0.00 61.00 62.23 5pgm s PRO 120 Cb -0.11 -1.78 -0.01 0.00 0.02 0.00 0.00 34.50 32.62 5pgm s PRO 120 CO 0.31 -2.40 1.29 -2.30 -0.33 0.00 0.00 177.00 173.57 5pgm n PRO 121 N -3.99 1.16 -1.96 5.54 -0.02 -1.26 -4.79 135.00 129.68 5pgm n PRO 121 Ca 0.07 0.45 -0.35 0.00 -2.02 0.00 0.00 63.50 61.65 5pgm n PRO 121 Cb 0.55 -2.53 0.03 0.00 -0.02 0.00 0.00 33.50 31.54 5pgm n PRO 121 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 5pgm s PRO 122 N -3.32 2.95 0.06 0.52 0.04 -1.26 -1.05 135.00 132.95 5pgm s PRO 122 Ca 0.82 1.64 -0.15 0.00 0.04 0.00 0.00 61.00 63.35 5pgm s PRO 122 Cb -0.38 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.15 5pgm s PRO 122 CO 0.41 -1.18 0.48 -1.50 0.04 0.00 0.00 177.00 175.25 5pgm s ILE 123 N -1.89 4.93 0.36 0.56 2.07 -0.74 -4.05 121.20 122.43 5pgm s ILE 123 Ca 0.73 0.86 -0.27 0.00 -1.41 0.00 0.00 60.65 60.56 5pgm s ILE 123 Cb -0.26 -3.75 -0.09 0.00 0.13 0.00 0.00 42.46 38.49 5pgm s ILE 123 CO 0.35 0.45 1.17 -0.62 -1.91 0.00 0.00 174.94 174.38 5pgm s ASP 124 N -1.35 6.75 0.62 4.50 -1.08 -1.26 -4.91 116.67 119.95 5pgm s ASP 124 Ca 0.30 2.38 0.32 0.00 -0.52 0.00 0.00 52.55 55.03 5pgm s ASP 124 Cb -0.16 -2.62 1.83 0.00 -1.46 0.00 0.00 42.92 40.50 5pgm s ASP 124 CO 0.17 -0.52 2.13 0.00 0.52 0.00 0.00 175.17 177.48 5pgm h ALA 125 N 3.04 1.54 -0.07 3.66 0.00 -1.98 -2.00 119.26 123.45 5pgm h ALA 125 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 5pgm h ALA 125 Cb 1.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 5pgm h ALA 125 CO 0.64 -0.23 0.00 -1.13 0.00 0.00 0.00 179.25 178.53 5pgm n SER 126 N -3.49 2.16 -4.78 0.00 3.41 -1.26 -4.73 113.62 104.94 5pgm n SER 126 Ca -0.00 -1.73 -0.36 0.00 -0.26 0.00 0.00 58.87 56.52 5pgm n SER 126 Cb 0.27 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.17 5pgm n SER 126 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 5pgm s SER 127 N -1.90 6.22 0.62 4.04 0.15 -0.75 -4.91 113.70 117.15 5pgm s SER 127 Ca 0.34 2.21 0.40 0.00 0.70 0.00 0.00 55.95 59.60 5pgm s SER 127 Cb 0.20 -2.59 1.96 0.00 -1.71 0.00 0.00 66.02 63.88 5pgm s SER 127 CO 0.31 -0.88 2.20 -0.65 1.20 0.00 0.00 173.24 175.42 5pgm h PRO 128 N 1.96 0.00 -0.65 5.44 0.11 -1.93 -2.16 132.00 134.77 5pgm h PRO 128 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 5pgm h PRO 128 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 5pgm h PRO 128 CO 0.60 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.58 5pgm n PHE 129 N -3.09 1.59 -3.69 0.65 3.72 -1.26 -4.92 117.46 110.45 5pgm n PHE 129 Ca -0.01 -0.62 -0.37 0.00 -0.05 0.00 0.00 57.45 56.40 5pgm n PHE 129 Cb 0.18 -0.29 -0.06 0.00 -0.94 0.00 0.00 39.48 38.36 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 -0.86 6.52 0.00 4.37 0.15 -0.81 -4.79 113.70 118.27 5pgm s SER 130 Ca 0.51 0.61 0.21 0.00 0.70 0.00 0.00 55.95 57.99 5pgm s SER 130 Cb 0.34 -2.15 0.53 0.00 -1.71 0.00 0.00 66.02 63.03 5pgm s SER 130 CO 0.23 0.32 1.45 0.00 1.20 0.00 0.00 173.24 176.44 5pgm n GLN 131 N 2.30 2.39 -1.67 5.44 3.00 -1.26 -4.92 117.38 122.66 5pgm n GLN 131 Ca -0.16 -2.13 -0.45 0.00 -0.01 0.00 0.00 57.00 54.25 5pgm n GLN 131 Cb 0.53 -1.49 -0.04 0.00 0.00 0.00 0.00 30.24 29.25 5pgm n GLN 131 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 5pgm n LYS 132 N 1.28 2.55 -0.68 -1.09 0.00 -1.26 -1.59 118.16 117.37 5pgm n LYS 132 Ca 0.20 0.93 0.00 0.00 0.00 0.00 0.00 58.31 59.44 5pgm n LYS 132 Cb 0.54 -2.83 0.00 0.00 0.00 0.00 0.00 35.03 32.74 5pgm n LYS 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 5pgm n GLY 133 N 4.43 0.63 3.72 3.14 0.00 -1.26 -5.03 105.19 110.83 5pgm n GLY 133 Ca 0.21 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 5pgm n GLY 133 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 5pgm s ASP 134 N -2.21 6.86 0.39 1.61 -1.08 -0.62 -4.92 116.67 116.69 5pgm s ASP 134 Ca 0.00 2.34 0.22 0.00 -0.52 0.00 0.00 52.55 54.58 5pgm s ASP 134 Cb 0.00 -2.59 1.23 0.00 -1.46 0.00 0.00 42.92 40.10 5pgm s ASP 134 CO 0.00 -0.60 1.67 -0.08 0.52 0.00 0.00 175.17 176.67 5pgm h GLU 135 N 6.32 0.22 0.00 4.34 4.81 -1.96 -0.10 114.58 128.23 5pgm h GLU 135 Ca -0.43 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 5pgm h GLU 135 Cb 1.21 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.54 5pgm h GLU 135 CO 0.83 0.15 0.00 2.89 -0.73 0.00 0.00 179.01 182.15 5pgm n ARG 136 N -4.84 0.10 -0.08 1.92 1.85 -1.26 -2.67 116.66 111.68 5pgm n ARG 136 Ca 0.33 0.12 0.03 0.00 -1.00 0.00 0.00 57.85 57.33 5pgm n ARG 136 Cb 1.15 -1.50 0.08 0.00 -1.05 0.00 0.00 32.46 31.13 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 -1.43 0.21 0.19 2.89 4.01 -0.06 -4.82 117.16 118.15 5pgm n TYR 137 Ca 0.07 -0.37 0.13 0.00 -0.16 0.00 0.00 57.90 57.56 5pgm n TYR 137 Cb 0.22 -0.03 0.68 0.00 -0.31 0.00 0.00 39.34 39.90 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 1.25 0.00 -0.40 -0.72 2.10 -1.44 -1.93 116.57 115.43 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 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 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 -2.37 0.67 -4.14 0.07 4.01 -1.26 -4.92 117.16 109.22 5pgm n TYR 139 Ca -0.02 -0.56 -0.35 0.00 -0.16 0.00 0.00 57.90 56.81 5pgm n TYR 139 Cb 0.04 -0.08 -0.08 0.00 -0.31 0.00 0.00 39.34 38.91 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 -1.33 4.82 -0.20 -0.72 1.01 -0.73 -5.05 120.40 118.20 5pgm s VAL 140 Ca 0.31 -0.15 -0.36 0.00 0.00 0.00 0.00 61.98 61.78 5pgm s VAL 140 Cb 0.18 -3.10 -0.13 0.00 0.00 0.00 0.00 36.38 33.33 5pgm s VAL 140 CO 0.17 0.53 1.91 -0.67 0.00 0.00 0.00 175.10 177.05 5pgm n ASP 141 N 1.80 2.89 -0.30 3.32 2.03 -1.26 -4.85 116.55 120.18 5pgm n ASP 141 Ca -0.17 0.88 0.19 0.00 0.52 0.00 0.00 54.79 56.21 5pgm n ASP 141 Cb 0.54 -1.29 0.47 0.00 -0.72 0.00 0.00 41.12 40.13 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 9.40 0.46 0.00 -0.67 0.11 -1.94 -2.49 132.00 136.87 5pgm h PRO 142 Ca -0.44 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 5pgm h PRO 142 Cb 1.29 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 5pgm h PRO 142 CO 0.97 0.30 -0.10 -0.91 -0.21 0.00 0.00 178.00 178.05 5pgm h ASN 143 N 0.47 0.00 1.44 -2.05 2.35 -2.02 -3.02 115.58 112.74 5pgm h ASN 143 Ca 0.54 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.29 5pgm h ASN 143 Cb 1.25 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.62 5pgm h ASN 143 CO -0.26 0.10 -0.56 1.62 -1.65 0.00 0.00 177.43 176.68 5pgm h VAL 144 N 0.00 0.00 -2.55 2.81 3.04 -1.83 -3.46 116.25 114.26 5pgm h VAL 144 Ca -0.00 -1.00 -0.55 0.00 -1.01 0.00 0.00 66.70 64.14 5pgm h VAL 144 Cb 0.20 1.72 -0.00 0.00 -2.01 0.00 0.00 31.29 31.20 5pgm h VAL 144 CO 0.01 0.00 1.14 -0.76 -1.01 0.00 0.00 177.57 176.95 5pgm s LEU 145 N -5.73 4.30 0.61 3.16 1.02 -1.15 -4.96 118.68 115.93 5pgm s LEU 145 Ca 0.03 2.29 -0.18 0.00 0.02 0.00 0.00 54.13 56.29 5pgm s LEU 145 Cb 0.08 -3.53 -0.03 0.00 0.02 0.00 0.00 46.19 42.73 5pgm s LEU 145 CO 0.74 -1.00 1.16 -2.16 0.02 0.00 0.00 176.35 175.11 5pgm s PRO 146 N 4.24 2.96 0.00 1.29 0.04 -1.26 -4.94 135.00 137.33 5pgm s PRO 146 Ca 0.78 1.67 0.07 0.00 0.04 0.00 0.00 61.00 63.55 5pgm s PRO 146 Cb -0.35 -1.95 0.08 0.00 0.04 0.00 0.00 34.50 32.33 5pgm s PRO 146 CO 0.32 -1.18 0.81 0.39 0.04 0.00 0.00 177.00 177.39 5pgm n GLU 147 N -1.80 0.55 0.00 4.56 1.02 -1.26 -4.97 120.64 118.74 5pgm n GLU 147 Ca 0.12 -1.10 0.00 0.00 -0.02 0.00 0.00 57.16 56.16 5pgm n GLU 147 Cb 0.51 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.78 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 0.35 0.00 -3.89 2.62 5.66 -1.26 -1.79 114.28 115.97 5pgm n THR 148 Ca 0.05 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.95 5pgm n THR 148 Cb 0.21 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.93 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 1.09 0.43 1.09 2.02 -0.85 -4.91 118.70 115.57 5pgm s GLU 149 Ca 0.00 -1.06 0.06 0.00 0.02 0.00 0.00 54.97 53.99 5pgm s GLU 149 Cb 0.00 0.39 -0.07 0.00 0.10 0.00 0.00 34.13 34.55 5pgm s GLU 149 CO 0.00 -0.40 0.02 -1.54 0.02 0.00 0.00 175.26 173.37 5pgm s SER 150 N -2.92 3.97 0.20 -0.19 1.04 -1.26 -4.29 113.70 110.24 5pgm s SER 150 Ca 0.12 -1.40 -0.11 0.00 0.48 0.00 0.00 55.95 55.04 5pgm s SER 150 Cb 0.03 -0.24 0.12 0.00 0.10 0.00 0.00 66.02 66.03 5pgm s SER 150 CO -0.04 -0.53 1.85 0.25 0.98 0.00 0.00 173.24 175.75 5pgm h LEU 151 N 1.66 0.79 -0.72 2.42 6.46 -1.64 -1.20 115.31 123.08 5pgm h LEU 151 Ca -0.44 -0.04 0.13 0.00 -0.12 0.00 0.00 57.88 57.41 5pgm h LEU 151 Cb 1.25 -0.20 -0.09 0.00 -0.73 0.00 0.00 40.66 40.89 5pgm h LEU 151 CO 0.79 0.60 0.27 0.00 -0.62 0.00 0.00 178.44 179.48 5pgm h ALA 152 N 1.23 0.99 -0.12 1.25 0.00 -1.17 -0.31 119.26 121.14 5pgm h ALA 152 Ca 0.25 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 5pgm h ALA 152 Cb -0.07 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 5pgm h ALA 152 CO -0.05 -0.22 -0.51 -0.07 0.00 0.00 0.00 179.25 178.40 5pgm h LEU 153 N 0.42 0.35 -0.04 0.00 4.07 -1.68 -2.25 115.31 116.18 5pgm h LEU 153 Ca 0.39 -0.18 -0.00 0.00 0.08 0.00 0.00 57.88 58.17 5pgm h LEU 153 Cb 0.58 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.22 5pgm h LEU 153 CO -0.39 0.81 0.02 0.58 -1.08 0.00 0.00 178.44 178.37 5pgm h VAL 154 N 0.25 1.09 -0.47 1.22 2.07 -0.01 -2.71 116.25 117.70 5pgm h VAL 154 Ca 0.01 -0.28 0.07 0.00 0.82 0.00 0.00 66.70 67.32 5pgm h VAL 154 Cb 0.99 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.91 5pgm h VAL 154 CO 0.08 0.08 0.15 0.40 0.02 0.00 0.00 177.57 178.30 5pgm h ILE 155 N -0.04 0.82 -0.90 4.57 2.04 -0.97 -1.23 117.51 121.80 5pgm h ILE 155 Ca 0.01 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 65.84 5pgm h ILE 155 Cb 0.11 0.48 -0.07 0.00 -0.74 0.00 0.00 36.82 36.60 5pgm h ILE 155 CO -0.00 0.06 0.56 0.44 0.00 0.00 0.00 178.15 179.20 5pgm h ASP 156 N 0.31 0.86 1.59 1.72 3.32 -1.24 -1.78 116.42 121.22 5pgm h ASP 156 Ca 0.23 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 5pgm h ASP 156 Cb 0.25 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 5pgm h ASP 156 CO -0.25 0.53 -0.42 0.08 -1.72 0.00 0.00 179.24 177.47 5pgm h ARG 157 N 0.99 0.00 0.00 3.56 -0.00 -1.21 -3.38 114.38 114.34 5pgm h ARG 157 Ca 0.40 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 60.38 5pgm h ARG 157 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.21 5pgm h ARG 157 CO -0.20 0.13 -0.00 1.25 -0.00 0.00 0.00 179.97 181.16 5pgm h LEU 158 N 0.00 -0.00 -0.99 0.08 6.46 -0.75 -3.38 115.31 116.73 5pgm h LEU 158 Ca -0.01 -0.97 0.34 0.00 -0.12 0.00 0.00 57.88 57.12 5pgm h LEU 158 Cb 1.13 0.00 -0.16 0.00 -0.73 0.00 0.00 40.66 40.90 5pgm h LEU 158 CO 0.02 0.97 0.52 -0.07 -0.62 0.00 0.00 178.44 179.25 5pgm h LEU 159 N -0.97 0.39 -1.21 2.25 3.38 -1.51 -1.61 115.31 116.03 5pgm h LEU 159 Ca -0.00 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 5pgm h LEU 159 Cb 0.97 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 5pgm h LEU 159 CO 0.00 -0.22 0.37 -0.65 0.09 0.00 0.00 178.44 178.03 5pgm h PRO 160 N 0.22 0.91 -0.14 1.13 0.11 -1.80 0.50 132.00 132.93 5pgm h PRO 160 Ca 0.75 -0.09 -0.18 0.00 0.11 0.00 0.00 66.00 66.58 5pgm h PRO 160 Cb 1.76 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.69 5pgm h PRO 160 CO -0.66 0.67 -0.67 -0.92 -0.21 0.00 0.00 178.00 176.20 5pgm h TYR 161 N 0.92 0.73 -0.31 0.65 3.20 -1.53 -1.95 116.97 118.68 5pgm h TYR 161 Ca 0.24 -0.30 -0.08 0.00 3.14 0.00 0.00 58.73 61.73 5pgm h TYR 161 Cb 0.01 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 5pgm h TYR 161 CO 0.01 1.07 -0.11 2.35 -1.64 0.00 0.00 178.16 179.83 5pgm h TRP 162 N 0.40 0.71 -0.63 -3.82 2.91 -1.15 -0.87 115.95 113.50 5pgm h TRP 162 Ca -0.02 -0.16 -0.04 0.00 1.13 0.00 0.00 58.89 59.79 5pgm h TRP 162 Cb 1.25 -0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 29.70 5pgm h TRP 162 CO 0.05 0.83 0.21 1.96 -1.03 0.00 0.00 178.44 180.47 5pgm h GLN 163 N 0.40 0.95 0.00 2.65 4.20 0.14 0.25 115.11 123.70 5pgm h GLN 163 Ca 0.08 -0.17 -0.36 0.00 0.06 0.00 0.00 58.65 58.25 5pgm h GLN 163 Cb 0.62 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 28.19 5pgm h GLN 163 CO 0.04 0.80 -2.19 -0.25 -0.67 0.00 0.00 178.83 176.56 5pgm n ASP 164 N -4.29 1.62 -0.07 1.46 9.92 -0.75 -4.52 116.55 119.93 5pgm n ASP 164 Ca 0.05 0.28 -0.07 0.00 -0.53 0.00 0.00 54.79 54.53 5pgm n ASP 164 Cb 0.20 -0.67 -0.04 0.00 -0.64 0.00 0.00 41.12 39.96 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 -0.82 0.49 -0.57 2.53 2.07 -1.36 -3.18 116.25 115.41 5pgm h VAL 165 Ca -0.55 -1.43 -0.10 0.00 0.82 0.00 0.00 66.70 65.44 5pgm h VAL 165 Cb 1.47 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 5pgm h VAL 165 CO -0.33 0.17 -0.05 0.40 0.02 0.00 0.00 177.57 177.78 5pgm h ILE 166 N -1.00 1.27 -0.54 4.57 2.04 -1.36 -2.75 117.51 119.73 5pgm h ILE 166 Ca -0.04 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.61 5pgm h ILE 166 Cb 0.48 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 5pgm h ILE 166 CO -0.02 0.43 0.28 0.00 0.00 0.00 0.00 178.15 178.83 5pgm h ALA 167 N 1.00 1.47 -0.43 1.87 0.00 -1.13 -2.13 119.26 119.92 5pgm h ALA 167 Ca 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.97 5pgm h ALA 167 Cb 0.60 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 5pgm h ALA 167 CO 0.04 0.43 0.28 -0.22 0.00 0.00 0.00 179.25 179.78 5pgm h LYS 168 N 0.75 0.56 -0.27 0.00 3.64 -1.46 0.77 116.57 120.56 5pgm h LYS 168 Ca 0.19 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 5pgm h LYS 168 Cb 0.05 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 5pgm h LYS 168 CO -0.03 0.38 0.17 -0.44 -2.27 0.00 0.00 179.45 177.26 5pgm h ASP 169 N 0.58 0.31 -0.45 4.20 3.32 -1.42 0.30 116.42 123.26 5pgm h ASP 169 Ca 0.16 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 5pgm h ASP 169 Cb -0.06 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 5pgm h ASP 169 CO -0.03 0.25 0.28 -0.07 -1.72 0.00 0.00 179.24 177.94 5pgm h LEU 170 N 0.35 0.54 -0.36 1.55 4.07 -1.07 -1.60 115.31 118.80 5pgm h LEU 170 Ca 0.10 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.01 5pgm h LEU 170 Cb -0.02 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.58 5pgm h LEU 170 CO -0.02 0.43 0.00 0.18 -1.08 0.00 0.00 178.44 177.95 5pgm n LEU 171 N -4.74 0.45 -0.75 1.67 4.77 0.23 -1.89 117.00 116.75 5pgm n LEU 171 Ca 0.01 0.59 0.08 0.00 -0.03 0.00 0.00 56.01 56.67 5pgm n LEU 171 Cb 0.05 -0.51 0.25 0.00 -2.33 0.00 0.00 43.42 40.88 5pgm n LEU 171 CO 0.35 -0.38 0.70 -1.20 -1.33 0.00 0.00 177.39 175.54 5pgm n SER 172 N -1.98 2.20 0.00 -1.43 7.64 0.07 -4.94 113.62 115.18 5pgm n SER 172 Ca 0.03 -1.91 0.00 0.00 1.01 0.00 0.00 58.87 58.01 5pgm n SER 172 Cb 0.25 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 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 1.20 0.50 3.80 0.23 0.00 -0.79 -5.05 105.19 105.08 5pgm n GLY 173 Ca 0.15 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.19 4.07 -0.34 1.61 1.02 -0.86 -4.98 119.74 120.06 5pgm s LYS 174 Ca 0.00 0.47 -0.29 0.00 0.02 0.00 0.00 55.97 56.17 5pgm s LYS 174 Cb 0.00 -3.27 0.02 0.00 -0.52 0.00 0.00 37.83 34.05 5pgm s LYS 174 CO 0.00 0.56 1.09 0.99 -0.92 0.00 0.00 175.35 177.07 5pgm s THR 175 N -0.69 4.45 -0.12 2.17 2.01 -1.26 -4.23 115.64 117.98 5pgm s THR 175 Ca 0.25 1.65 -0.12 0.00 0.31 0.00 0.00 61.69 63.78 5pgm s THR 175 Cb -0.17 -4.44 -0.05 0.00 0.01 0.00 0.00 72.50 67.86 5pgm s THR 175 CO 0.13 -0.56 0.26 -0.69 -0.69 0.00 0.00 174.62 173.07 5pgm s VAL 176 N 3.80 5.31 -0.12 3.82 1.01 -0.63 -0.04 120.40 133.55 5pgm s VAL 176 Ca 0.46 0.48 -0.01 0.00 0.00 0.00 0.00 61.98 62.91 5pgm s VAL 176 Cb -0.12 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 5pgm s VAL 176 CO 0.18 0.50 -0.08 -0.32 0.00 0.00 0.00 175.10 175.39 5pgm s MET 177 N -0.32 3.25 -0.17 2.72 -2.45 -0.57 -0.87 119.30 120.89 5pgm s MET 177 Ca 0.17 -0.58 0.01 0.00 -1.25 0.00 0.00 55.69 54.04 5pgm s MET 177 Cb -0.13 -2.71 0.02 0.00 1.25 0.00 0.00 34.83 33.25 5pgm s MET 177 CO 0.05 0.38 -0.19 0.42 1.05 0.00 0.00 175.02 176.74 5pgm s ILE 178 N -0.06 1.98 -0.41 10.11 1.01 0.40 -0.84 121.20 133.39 5pgm s ILE 178 Ca -0.00 -0.89 -0.10 0.00 0.00 0.00 0.00 60.65 59.65 5pgm s ILE 178 Cb -0.13 -1.79 0.06 0.00 0.01 0.00 0.00 42.46 40.61 5pgm s ILE 178 CO 0.03 0.53 0.26 0.00 0.00 0.00 0.00 174.94 175.75 5pgm s ALA 179 N 1.27 3.31 0.00 9.38 0.00 0.07 -0.74 121.76 135.05 5pgm s ALA 179 Ca 0.04 -2.01 0.00 0.00 0.00 0.00 0.00 51.96 49.99 5pgm s ALA 179 Cb -0.13 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.31 5pgm s ALA 179 CO -0.11 -1.57 0.00 0.00 0.00 0.00 0.00 175.76 174.07 5pgm n ALA 180 N 4.97 0.00 -2.43 0.00 0.00 -0.88 -3.56 120.51 118.62 5pgm n ALA 180 Ca -0.11 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.12 5pgm n ALA 180 Cb 0.44 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.78 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 2.19 1.90 0.13 0.00 3.76 -1.26 -3.46 115.29 118.55 5pgm s HIS 181 Ca 0.00 -0.97 -0.32 0.00 -0.15 0.00 0.00 55.06 53.63 5pgm s HIS 181 Cb 0.00 -1.22 -0.09 0.00 1.11 0.00 0.00 32.58 32.39 5pgm s HIS 181 CO 0.00 -0.02 1.56 0.78 -0.85 0.00 0.00 174.74 176.21 5pgm h GLY 182 N 2.17 -0.91 0.93 -2.22 0.00 -1.95 0.60 103.07 101.70 5pgm h GLY 182 Ca -0.40 0.64 -0.10 0.00 0.00 0.00 0.00 47.33 47.47 5pgm h GLY 182 CO 0.68 -0.18 -0.20 3.43 0.00 0.00 0.00 176.54 180.27 5pgm h ASN 183 N -0.47 0.68 -0.27 0.19 2.35 -1.96 -1.39 115.58 114.70 5pgm h ASN 183 Ca 0.07 -0.44 -0.07 0.00 -0.55 0.00 0.00 56.30 55.32 5pgm h ASN 183 Cb 0.64 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 5pgm h ASN 183 CO -0.50 0.97 -0.04 0.77 -1.65 0.00 0.00 177.43 176.98 5pgm h SER 184 N 0.40 0.61 0.56 5.81 4.64 -1.73 0.31 113.55 124.15 5pgm h SER 184 Ca 0.06 -0.14 -0.26 0.00 -0.47 0.00 0.00 61.79 60.98 5pgm h SER 184 Cb 0.75 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 5pgm h SER 184 CO 0.05 0.70 -1.14 -0.07 -0.87 0.00 0.00 176.83 175.50 5pgm h LEU 185 N 0.59 0.43 -0.49 5.97 3.38 -0.87 -0.20 115.31 124.13 5pgm h LEU 185 Ca 0.12 -0.43 -0.14 0.00 0.09 0.00 0.00 57.88 57.52 5pgm h LEU 185 Cb 0.43 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 5pgm h LEU 185 CO 0.02 1.30 -0.28 0.03 0.09 0.00 0.00 178.44 179.60 5pgm h ARG 186 N 0.11 0.95 -0.05 1.13 3.08 -0.91 0.03 114.38 118.71 5pgm h ARG 186 Ca -0.11 -0.43 0.02 0.00 0.07 0.00 0.00 59.98 59.52 5pgm h ARG 186 Cb 1.84 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.85 5pgm h ARG 186 CO 0.19 1.10 -0.07 0.78 -1.07 0.00 0.00 179.97 180.89 5pgm h GLY 187 N 0.86 -0.03 1.03 0.04 0.00 -0.30 0.38 103.07 105.05 5pgm h GLY 187 Ca 0.09 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 5pgm h GLY 187 CO 0.08 -0.08 0.55 -2.00 0.00 0.00 0.00 176.54 175.08 5pgm h LEU 188 N -0.10 1.14 -0.74 3.11 5.85 -0.83 -2.39 115.31 121.36 5pgm h LEU 188 Ca 0.05 -0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.58 5pgm h LEU 188 Cb 0.17 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 5pgm h LEU 188 CO -0.12 0.89 -0.23 0.58 -0.34 0.00 0.00 178.44 179.22 5pgm h VAL 189 N 1.30 1.27 -0.42 1.05 2.07 -0.43 -0.06 116.25 121.03 5pgm h VAL 189 Ca 0.33 -1.32 0.05 0.00 0.82 0.00 0.00 66.70 66.58 5pgm h VAL 189 Cb -0.03 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 5pgm h VAL 189 CO -0.06 0.44 0.17 0.50 0.02 0.00 0.00 177.57 178.63 5pgm h LYS 190 N 0.63 0.33 0.01 1.57 3.64 0.06 -0.27 116.57 122.54 5pgm h LYS 190 Ca 0.09 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 5pgm h LYS 190 Cb 0.72 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 5pgm h LYS 190 CO 0.06 0.22 -0.01 1.25 -2.27 0.00 0.00 179.45 178.70 5pgm h HIS 191 N 0.34 -0.01 -0.75 1.91 2.76 -1.04 0.99 115.15 119.35 5pgm h HIS 191 Ca 0.19 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.33 5pgm h HIS 191 Cb 0.16 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.08 5pgm h HIS 191 CO -0.14 0.17 0.37 -0.07 -1.30 0.00 0.00 177.93 176.96 5pgm h LEU 192 N -0.20 0.96 0.00 0.26 3.38 -0.74 -3.03 115.31 115.95 5pgm h LEU 192 Ca -0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.86 5pgm h LEU 192 Cb 0.19 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.70 5pgm h LEU 192 CO 0.00 0.81 -0.82 -0.62 0.09 0.00 0.00 178.44 177.90 5pgm n GLU 193 N -4.33 0.10 -2.73 1.13 1.02 -0.13 -4.48 120.64 111.22 5pgm n GLU 193 Ca 0.07 -0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.12 5pgm n GLU 193 Cb 0.13 -1.53 0.02 0.00 -0.02 0.00 0.00 31.44 30.04 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 1.45 0.26 3.76 0.62 0.00 0.27 -5.01 105.19 106.54 5pgm n GLY 194 Ca 0.04 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.93 3.56 0.87 -0.61 1.01 -0.74 -5.03 121.20 117.31 5pgm s ILE 195 Ca 0.17 1.56 -0.12 0.00 0.00 0.00 0.00 60.65 62.27 5pgm s ILE 195 Cb -0.08 -3.99 0.11 0.00 0.01 0.00 0.00 42.46 38.51 5pgm s ILE 195 CO 0.21 0.37 1.11 -0.94 0.00 0.00 0.00 174.94 175.69 5pgm s SER 196 N -0.89 3.85 0.44 3.58 1.04 -1.26 -4.85 113.70 115.61 5pgm s SER 196 Ca 0.44 1.22 0.10 0.00 0.48 0.00 0.00 55.95 58.19 5pgm s SER 196 Cb -0.31 -1.90 0.97 0.00 0.10 0.00 0.00 66.02 64.88 5pgm s SER 196 CO 0.40 -2.37 2.08 0.44 0.98 0.00 0.00 173.24 174.78 5pgm h ASP 197 N -1.36 0.34 0.10 7.02 5.19 -2.00 -2.67 116.42 123.03 5pgm h ASP 197 Ca -0.49 -0.01 -0.27 0.00 -0.62 0.00 0.00 57.03 55.64 5pgm h ASP 197 Cb 1.30 -0.08 0.03 0.00 0.18 0.00 0.00 39.33 40.75 5pgm h ASP 197 CO 0.59 0.25 -1.12 0.00 -3.12 0.00 0.00 179.24 175.84 5pgm h ALA 198 N 1.81 0.00 0.00 3.45 0.00 -2.03 -3.35 119.26 119.14 5pgm h ALA 198 Ca 0.11 -0.74 -0.06 0.00 0.00 0.00 0.00 54.91 54.23 5pgm h ALA 198 Cb -0.03 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 5pgm h ALA 198 CO -0.02 0.62 -0.27 -0.44 0.00 0.00 0.00 179.25 179.13 5pgm h ASP 199 N 0.19 0.00 -0.04 0.00 3.32 -1.88 -3.34 116.42 114.67 5pgm h ASP 199 Ca -0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.89 5pgm h ASP 199 Cb 1.81 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.35 5pgm h ASP 199 CO 0.22 0.27 0.03 -0.29 -1.72 0.00 0.00 179.24 177.75 5pgm h ILE 200 N 0.00 1.00 0.00 0.35 6.09 -1.61 -2.20 117.51 121.14 5pgm h ILE 200 Ca -0.00 -0.01 -0.01 0.00 -1.37 0.00 0.00 64.86 63.47 5pgm h ILE 200 Cb 0.97 0.96 -0.00 0.00 0.47 0.00 0.00 36.82 39.22 5pgm h ILE 200 CO 0.04 0.01 -0.03 0.00 -3.07 0.00 0.00 178.15 175.09 5pgm h ALA 201 N 1.98 1.47 -0.16 0.18 0.00 -1.81 -2.42 119.26 118.51 5pgm h ALA 201 Ca 0.02 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 5pgm h ALA 201 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 5pgm h ALA 201 CO -0.00 0.03 -0.30 0.87 0.00 0.00 0.00 179.25 179.85 5pgm h LYS 202 N 0.00 0.49 -6.28 0.00 1.57 -1.66 -3.45 116.57 107.23 5pgm h LYS 202 Ca -0.00 -0.31 -0.64 0.00 -1.87 0.00 0.00 60.65 57.83 5pgm h LYS 202 Cb 0.07 0.04 0.03 0.00 0.08 0.00 0.00 32.23 32.45 5pgm h LYS 202 CO 0.00 0.92 0.98 -0.11 -0.57 0.00 0.00 179.45 180.67 5pgm n LEU 203 N -4.37 3.09 -4.33 2.94 7.94 -0.91 -4.98 117.00 116.37 5pgm n LEU 203 Ca -0.06 1.02 -0.32 0.00 -1.11 0.00 0.00 56.01 55.53 5pgm n LEU 203 Cb 0.48 -1.32 -0.15 0.00 0.53 0.00 0.00 43.42 42.95 5pgm n LEU 203 CO 0.43 -0.22 -0.53 0.21 -1.11 0.00 0.00 177.39 176.18 5pgm s ASN 204 N 3.31 3.41 -0.27 1.96 2.47 -1.26 -5.07 114.94 119.49 5pgm s ASN 204 Ca 0.91 -0.41 -0.03 0.00 0.42 0.00 0.00 52.86 53.75 5pgm s ASN 204 Cb -0.78 -0.88 0.03 0.00 -1.45 0.00 0.00 41.25 38.16 5pgm s ASN 204 CO 0.52 0.27 -0.01 -0.63 -3.72 0.00 0.00 177.10 173.53 5pgm s ILE 205 N -0.28 3.22 0.53 -5.21 1.01 -1.26 -5.10 121.20 114.11 5pgm s ILE 205 Ca 0.01 -0.99 -0.20 0.00 0.00 0.00 0.00 60.65 59.46 5pgm s ILE 205 Cb -0.13 -2.68 -0.06 0.00 0.01 0.00 0.00 42.46 39.60 5pgm s ILE 205 CO 0.03 0.11 1.14 -2.16 0.00 0.00 0.00 174.94 174.05 5pgm s PRO 206 N 1.36 3.39 0.47 2.79 0.04 -1.26 -5.02 135.00 136.77 5pgm s PRO 206 Ca -0.00 1.64 -0.16 0.00 0.04 0.00 0.00 61.00 62.52 5pgm s PRO 206 Cb -0.17 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 32.23 5pgm s PRO 206 CO -0.02 -0.82 0.93 0.95 0.04 0.00 0.00 177.00 178.08 5pgm s THR 207 N -1.74 4.56 -1.90 1.26 -4.23 -1.26 -4.19 115.64 108.14 5pgm s THR 207 Ca 0.72 1.16 0.00 0.00 -1.18 0.00 0.00 61.69 62.38 5pgm s THR 207 Cb -0.25 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 69.90 5pgm s THR 207 CO 0.28 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 5pgm n GLY 208 N -1.30 1.71 2.97 3.99 0.00 0.07 -4.93 105.19 107.70 5pgm n GLY 208 Ca 0.06 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.54 1.56 0.34 -0.61 1.01 -1.26 -3.74 121.20 115.96 5pgm s ILE 209 Ca 0.00 -1.01 -0.29 0.00 0.00 0.00 0.00 60.65 59.35 5pgm s ILE 209 Cb 0.00 -1.69 -0.11 0.00 0.01 0.00 0.00 42.46 40.67 5pgm s ILE 209 CO 0.00 0.11 1.49 -2.84 0.00 0.00 0.00 174.94 173.70 5pgm s PRO 210 N 1.42 4.15 -0.20 2.79 0.02 -1.26 -4.61 135.00 137.31 5pgm s PRO 210 Ca -0.02 2.51 -0.02 0.00 0.02 0.00 0.00 61.00 63.49 5pgm s PRO 210 Cb -0.17 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.35 5pgm s PRO 210 CO -0.08 -0.51 -0.11 -1.17 -0.33 0.00 0.00 177.00 174.80 5pgm s LEU 211 N -1.53 2.57 -0.17 -5.54 0.20 -0.10 -1.92 118.68 112.20 5pgm s LEU 211 Ca 0.55 -0.49 -0.06 0.00 0.69 0.00 0.00 54.13 54.82 5pgm s LEU 211 Cb -0.46 -1.63 -0.04 0.00 -0.43 0.00 0.00 46.19 43.64 5pgm s LEU 211 CO 0.57 -0.00 0.03 -0.69 -0.29 0.00 0.00 176.35 175.97 5pgm s VAL 212 N 1.34 4.55 -0.19 1.68 1.01 0.56 -0.43 120.40 128.91 5pgm s VAL 212 Ca 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 5pgm s VAL 212 Cb -0.14 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.22 5pgm s VAL 212 CO -0.07 0.48 -0.14 -0.36 0.00 0.00 0.00 175.10 175.01 5pgm s PHE 213 N 0.27 2.84 -0.23 5.22 0.40 0.76 -1.93 117.98 125.31 5pgm s PHE 213 Ca 0.02 -1.31 -0.10 0.00 -0.60 0.00 0.00 56.93 54.94 5pgm s PHE 213 Cb -0.13 -1.98 -0.05 0.00 0.51 0.00 0.00 43.02 41.38 5pgm s PHE 213 CO 0.01 -0.67 0.16 -1.21 0.70 0.00 0.00 175.22 174.21 5pgm s GLU 214 N 1.27 4.10 0.25 0.44 2.02 -1.26 -0.66 118.70 124.86 5pgm s GLU 214 Ca 0.03 -0.25 0.12 0.00 0.02 0.00 0.00 54.97 54.89 5pgm s GLU 214 Cb -0.14 -3.51 -0.05 0.00 0.10 0.00 0.00 34.13 30.53 5pgm s GLU 214 CO -0.08 0.11 -0.21 -0.51 0.02 0.00 0.00 175.26 174.60 5pgm s LEU 215 N 0.91 2.56 0.00 1.80 1.43 0.45 -0.99 118.68 124.84 5pgm s LEU 215 Ca 0.08 -0.96 0.00 0.00 -1.03 0.00 0.00 54.13 52.22 5pgm s LEU 215 Cb -0.13 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 44.95 5pgm s LEU 215 CO 0.03 0.07 0.07 -0.90 0.23 0.00 0.00 176.35 175.85 5pgm n ASP 216 N -0.33 0.10 0.09 2.29 5.68 0.19 -1.80 116.55 122.78 5pgm n ASP 216 Ca -0.08 -1.08 0.08 0.00 -0.50 0.00 0.00 54.79 53.21 5pgm n ASP 216 Cb 0.59 -0.04 0.39 0.00 -1.14 0.00 0.00 41.12 40.91 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 -1.12 0.10 -0.48 0.11 0.00 -1.26 -1.03 120.64 116.96 5pgm n GLU 217 Ca 0.01 0.47 0.09 0.00 0.00 0.00 0.00 57.16 57.73 5pgm n GLU 217 Cb 0.04 -1.75 0.30 0.00 0.00 0.00 0.00 31.44 30.03 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 -1.95 4.19 -2.11 -1.84 3.02 -1.26 -4.94 115.26 110.37 5pgm n ASN 218 Ca 0.01 -2.44 -0.21 0.00 -0.03 0.00 0.00 54.58 51.91 5pgm n ASN 218 Cb 0.11 -0.49 -0.04 0.00 -0.61 0.00 0.00 39.78 38.75 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 0.71 -1.80 -4.62 3.41 4.32 -0.19 -4.99 117.00 113.83 5pgm n LEU 219 Ca 0.22 0.16 -0.34 0.00 -0.02 0.00 0.00 56.01 56.03 5pgm n LEU 219 Cb 0.78 -2.91 -0.10 0.00 -1.62 0.00 0.00 43.42 39.57 5pgm n LEU 219 CO 0.19 -0.52 -0.34 -0.75 -1.22 0.00 0.00 177.39 174.75 5pgm s LYS 220 N -4.60 2.94 -0.30 3.23 2.20 -1.26 -4.82 119.74 117.13 5pgm s LYS 220 Ca 0.00 -0.48 -0.43 0.00 -0.36 0.00 0.00 55.97 54.70 5pgm s LYS 220 Cb 0.00 -2.71 -0.19 0.00 -1.51 0.00 0.00 37.83 33.42 5pgm s LYS 220 CO 0.00 0.64 1.48 -2.30 -0.36 0.00 0.00 175.35 174.81 5pgm n PRO 221 N 2.31 0.27 0.15 4.03 -0.02 -1.26 -0.63 135.00 139.84 5pgm n PRO 221 Ca -0.18 0.10 0.04 0.00 -2.02 0.00 0.00 63.50 61.43 5pgm n PRO 221 Cb 0.53 -1.64 0.05 0.00 -0.02 0.00 0.00 33.50 32.42 5pgm n PRO 221 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 5pgm h SER 222 N 4.84 0.00 -5.20 2.55 4.64 -1.33 -3.44 113.55 115.60 5pgm h SER 222 Ca -0.46 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.79 5pgm h SER 222 Cb 1.37 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.40 5pgm h SER 222 CO 0.88 0.43 0.01 -1.59 -0.87 0.00 0.00 176.83 175.69 5pgm s LYS 223 N -3.00 1.80 0.61 4.77 -2.85 -1.26 -5.04 119.74 114.77 5pgm s LYS 223 Ca 0.04 -1.34 -0.17 0.00 -1.00 0.00 0.00 55.97 53.51 5pgm s LYS 223 Cb 0.07 0.52 -0.03 0.00 -2.06 0.00 0.00 37.83 36.34 5pgm s LYS 223 CO 0.73 -0.78 1.11 -1.25 0.10 0.00 0.00 175.35 175.26 5pgm s PRO 224 N -3.48 3.08 0.80 1.78 0.04 -1.26 -4.73 135.00 131.23 5pgm s PRO 224 Ca 0.20 1.43 -0.12 0.00 0.04 0.00 0.00 61.00 62.55 5pgm s PRO 224 Cb -0.02 -1.98 0.08 0.00 0.04 0.00 0.00 34.50 32.61 5pgm s PRO 224 CO 0.11 -1.04 1.16 -1.54 0.04 0.00 0.00 177.00 175.74 5pgm s SER 225 N -2.35 3.82 -0.14 6.66 1.04 -1.26 -4.86 113.70 116.61 5pgm s SER 225 Ca 0.68 2.19 -0.11 0.00 0.48 0.00 0.00 55.95 59.19 5pgm s SER 225 Cb -0.21 -2.57 0.04 0.00 0.10 0.00 0.00 66.02 63.39 5pgm s SER 225 CO 0.36 -2.51 0.36 -0.72 0.98 0.00 0.00 173.24 171.71 5pgm s TYR 226 N -2.39 -0.44 0.60 5.02 -0.85 -0.81 -4.99 117.35 113.49 5pgm s TYR 226 Ca 0.69 1.03 -0.14 0.00 -0.52 0.00 0.00 57.07 58.12 5pgm s TYR 226 Cb -0.24 0.16 -0.04 0.00 0.38 0.00 0.00 41.96 42.22 5pgm s TYR 226 CO 0.51 -0.23 1.04 0.71 -1.52 0.00 0.00 175.55 176.06 5pgm s TYR 227 N 0.56 3.23 -0.97 -3.49 2.02 -1.26 -0.32 117.35 117.11 5pgm s TYR 227 Ca -0.03 1.45 0.28 0.00 -0.37 0.00 0.00 57.07 58.40 5pgm s TYR 227 Cb -0.05 -2.88 1.10 0.00 -0.40 0.00 0.00 41.96 39.74 5pgm s TYR 227 CO -0.03 -0.89 1.85 1.28 -1.57 0.00 0.00 175.55 176.19 5pgm n LEU 228 N -2.27 0.15 -3.43 -1.29 4.77 -0.81 -3.99 117.00 110.14 5pgm n LEU 228 Ca 0.07 0.45 -0.27 0.00 -0.03 0.00 0.00 56.01 56.23 5pgm n LEU 228 Cb 0.53 -0.45 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 5pgm n LEU 228 CO 0.50 -0.01 -0.30 -0.62 -1.33 0.00 0.00 177.39 175.63 5pgm s ASP 229 N -3.18 1.72 0.37 -1.43 -1.08 -1.26 -4.99 116.67 106.81 5pgm s ASP 229 Ca 0.13 -3.05 0.09 0.00 -0.52 0.00 0.00 52.55 49.21 5pgm s ASP 229 Cb 0.18 -0.50 0.83 0.00 -1.46 0.00 0.00 42.92 41.97 5pgm s ASP 229 CO 0.56 -0.18 1.90 -0.65 0.52 0.00 0.00 175.17 177.33 5pgm h PRO 230 N 5.72 0.65 0.35 4.34 0.11 -1.98 -2.61 132.00 138.58 5pgm h PRO 230 Ca 0.25 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.30 5pgm h PRO 230 Cb 0.91 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.87 5pgm h PRO 230 CO 0.38 0.43 -0.17 0.93 -0.21 0.00 0.00 178.00 179.36 5pgm h GLU 231 N 0.67 -0.45 0.00 1.05 4.39 -1.95 -2.28 114.58 116.01 5pgm h GLU 231 Ca 0.40 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 60.11 5pgm h GLU 231 Cb 0.61 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.36 5pgm h GLU 231 CO -0.16 -0.15 -0.10 0.00 -1.16 0.00 0.00 179.01 177.44 5pgm h ALA 232 N -0.23 1.70 0.00 3.43 0.00 -1.95 -2.55 119.26 119.66 5pgm h ALA 232 Ca -0.05 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 5pgm h ALA 232 Cb 0.51 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 5pgm h ALA 232 CO 0.08 0.13 -0.71 0.00 0.00 0.00 0.00 179.25 178.74 5pgm h ALA 233 N 1.90 0.60 0.00 0.00 0.00 -1.47 -3.31 119.26 116.98 5pgm h ALA 233 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 5pgm h ALA 233 Cb 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.93 5pgm h ALA 233 CO 0.01 0.80 -0.27 0.00 0.00 0.00 0.00 179.25 179.79 5pgm n ALA 234 N -2.27 2.96 0.79 0.00 0.00 -0.86 -4.84 120.51 116.29 5pgm n ALA 234 Ca 0.00 -0.23 0.09 0.00 0.00 0.00 0.00 53.44 53.31 5pgm n ALA 234 Cb 0.79 -1.29 0.08 0.00 0.00 0.00 0.00 19.45 19.04 5pgm n ALA 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50