#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4pgm s LYS 2 N 0.00 2.08 0.01 -0.52 2.20 -1.26 -0.67 119.74 121.58 4pgm s LYS 2 Ca 0.00 -0.64 0.04 0.00 -0.36 0.00 0.00 55.97 55.01 4pgm s LYS 2 Cb 0.00 -1.72 -0.01 0.00 -1.51 0.00 0.00 37.83 34.59 4pgm s LYS 2 CO 0.00 0.18 -0.13 -1.17 -0.36 0.00 0.00 175.35 173.88 4pgm s LEU 3 N 0.25 2.09 -0.10 5.43 2.96 -0.76 -1.96 118.68 126.60 4pgm s LEU 3 Ca -0.10 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 4pgm s LEU 3 Cb -0.14 -0.59 0.02 0.00 0.50 0.00 0.00 46.19 45.98 4pgm s LEU 3 CO 0.04 0.09 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.36 4pgm s VAL 4 N -0.54 1.19 -0.12 1.68 1.01 0.20 -1.34 120.40 122.49 4pgm s VAL 4 Ca 0.03 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 4pgm s VAL 4 Cb -0.06 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 4pgm s VAL 4 CO 0.00 0.38 0.10 -0.76 0.00 0.00 0.00 175.10 174.82 4pgm s LEU 5 N 1.13 4.14 -0.09 3.92 1.02 0.20 -0.22 118.68 128.78 4pgm s LEU 5 Ca -0.05 0.35 -0.03 0.00 0.02 0.00 0.00 54.13 54.42 4pgm s LEU 5 Cb -0.14 -2.00 0.04 0.00 0.02 0.00 0.00 46.19 44.11 4pgm s LEU 5 CO -0.02 0.38 0.06 -0.69 0.02 0.00 0.00 176.35 176.10 4pgm s VAL 6 N -0.87 0.01 -0.20 -1.59 1.01 -0.65 -0.31 120.40 117.79 4pgm s VAL 6 Ca 0.14 0.14 -0.18 0.00 0.00 0.00 0.00 61.98 62.08 4pgm s VAL 6 Cb -0.12 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 4pgm s VAL 6 CO 0.03 0.03 0.50 -0.60 0.00 0.00 0.00 175.10 175.06 4pgm s ARG 7 N 2.11 4.18 0.80 2.72 3.52 -1.26 -2.05 118.95 128.97 4pgm s ARG 7 Ca 0.04 0.37 -0.13 0.00 -0.13 0.00 0.00 55.73 55.88 4pgm s ARG 7 Cb -0.14 -3.56 0.08 0.00 -1.56 0.00 0.00 34.95 29.77 4pgm s ARG 7 CO -0.05 -0.15 1.21 -3.38 -0.81 0.00 0.00 175.30 172.12 4pgm s HIS 8 N 1.64 1.80 0.16 5.12 -3.43 -1.17 -0.51 115.29 118.90 4pgm s HIS 8 Ca 0.23 1.67 -0.03 0.00 -0.80 0.00 0.00 55.06 56.13 4pgm s HIS 8 Cb -0.15 -3.50 0.04 0.00 -1.43 0.00 0.00 32.58 27.54 4pgm s HIS 8 CO 0.09 -2.87 0.15 0.41 -2.00 0.00 0.00 174.74 170.52 4pgm n GLY 9 N 0.51 -2.30 3.76 -1.38 0.00 -1.26 -4.53 105.19 99.99 4pgm n GLY 9 Ca 0.14 -1.49 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 4pgm n GLY 9 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 4pgm s GLN 10 N -3.34 3.33 0.22 1.61 -0.21 -1.26 -4.89 119.66 115.12 4pgm s GLN 10 Ca 0.10 1.99 -0.10 0.00 0.02 0.00 0.00 55.36 57.37 4pgm s GLN 10 Cb -0.01 -2.25 -0.07 0.00 1.00 0.00 0.00 33.01 31.68 4pgm s GLN 10 CO 0.07 -0.97 0.54 -1.54 -2.12 0.00 0.00 175.29 171.28 4pgm s SER 11 N -1.22 6.63 0.34 5.90 1.04 -1.26 -1.10 113.70 124.03 4pgm s SER 11 Ca 0.70 0.92 0.10 0.00 0.48 0.00 0.00 55.95 58.15 4pgm s SER 11 Cb -0.34 -2.22 0.87 0.00 0.10 0.00 0.00 66.02 64.42 4pgm s SER 11 CO 0.40 -0.06 1.78 -0.33 0.98 0.00 0.00 173.24 176.01 4pgm h GLU 12 N 2.59 0.61 0.00 4.02 5.08 -1.46 0.67 114.58 126.09 4pgm h GLU 12 Ca -0.47 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 57.77 4pgm h GLU 12 Cb 1.17 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 4pgm h GLU 12 CO 0.69 0.40 -0.42 -1.49 -1.00 0.00 0.00 179.01 177.20 4pgm h TRP 13 N 0.63 0.00 -0.32 4.33 4.06 -1.89 -2.96 115.95 119.80 4pgm h TRP 13 Ca 0.57 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 61.38 4pgm h TRP 13 Cb 1.07 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.22 4pgm h TRP 13 CO -0.00 0.42 -0.37 -0.97 -3.56 0.00 0.00 178.44 173.95 4pgm h ASN 14 N 0.00 0.79 0.66 -3.49 -0.73 0.11 0.39 115.58 113.31 4pgm h ASN 14 Ca -0.00 -0.35 -0.05 0.00 1.87 0.00 0.00 56.30 57.77 4pgm h ASN 14 Cb 0.82 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 39.19 4pgm h ASN 14 CO 0.05 1.08 -0.23 -0.33 -0.37 0.00 0.00 177.43 177.63 4pgm h GLU 15 N 0.62 0.00 -0.52 6.67 5.08 -1.03 -2.63 114.58 122.77 4pgm h GLU 15 Ca 0.06 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 4pgm h GLU 15 Cb 0.91 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.08 4pgm h GLU 15 CO 0.08 0.23 0.13 0.36 -1.00 0.00 0.00 179.01 178.80 4pgm n LYS 16 N -3.56 3.14 -3.68 2.33 2.85 -1.11 -4.98 118.16 113.15 4pgm n LYS 16 Ca -0.01 -3.04 -0.25 0.00 -1.05 0.00 0.00 58.31 53.96 4pgm n LYS 16 Cb 0.37 -2.03 0.07 0.00 -0.65 0.00 0.00 35.03 32.78 4pgm n LYS 16 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 4pgm n ASN 17 N -0.45 -5.76 -4.52 -5.58 4.05 -0.99 -4.92 115.26 97.09 4pgm n ASN 17 Ca 0.34 -0.61 -0.32 0.00 0.45 0.00 0.00 54.58 54.44 4pgm n ASN 17 Cb 1.18 -4.73 -0.12 0.00 1.23 0.00 0.00 39.78 37.33 4pgm n ASN 17 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 4pgm s LEU 18 N -7.27 2.88 -0.23 1.20 1.43 0.13 -0.72 118.68 116.11 4pgm s LEU 18 Ca 0.58 -0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 53.17 4pgm s LEU 18 Cb -0.27 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 4pgm s LEU 18 CO 0.76 0.31 1.29 -0.36 0.23 0.00 0.00 176.35 178.57 4pgm s PHE 19 N -0.87 2.76 -0.14 0.29 0.08 -0.55 -4.26 117.98 115.30 4pgm s PHE 19 Ca 0.14 0.94 -0.10 0.00 0.12 0.00 0.00 56.93 58.03 4pgm s PHE 19 Cb -0.11 -3.69 -0.06 0.00 -0.57 0.00 0.00 43.02 38.59 4pgm s PHE 19 CO 0.04 -1.72 0.02 1.79 -0.10 0.00 0.00 175.22 175.24 4pgm h THR 20 N 5.72 0.29 0.00 0.64 1.35 -1.91 0.21 112.91 119.20 4pgm h THR 20 Ca -0.26 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.32 4pgm h THR 20 Cb 1.10 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 4pgm h THR 20 CO 1.00 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 176.98 4pgm n GLY 21 N 1.64 2.78 0.19 5.82 0.00 -1.26 -1.72 105.19 112.64 4pgm n GLY 21 Ca -0.09 -0.33 0.10 0.00 0.00 0.00 0.00 46.02 45.71 4pgm n GLY 21 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 4pgm n TRP 22 N 13.62 0.07 -2.05 1.61 7.02 -1.26 -4.74 117.44 131.71 4pgm n TRP 22 Ca 0.00 -0.03 -0.42 0.00 -1.02 0.00 0.00 57.50 56.03 4pgm n TRP 22 Cb 0.00 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 4pgm n TRP 22 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 4pgm s VAL 23 N -1.93 2.82 -1.44 -0.99 1.01 -0.70 -4.88 120.40 114.28 4pgm s VAL 23 Ca 0.30 0.65 -0.11 0.00 0.00 0.00 0.00 61.98 62.83 4pgm s VAL 23 Cb 0.15 -3.42 0.05 0.00 0.00 0.00 0.00 36.38 33.16 4pgm s VAL 23 CO 0.24 0.08 2.36 -0.67 0.00 0.00 0.00 175.10 177.12 4pgm n ASP 24 N 2.96 5.99 -4.87 3.32 2.03 -1.26 -4.95 116.55 119.77 4pgm n ASP 24 Ca 0.09 -2.87 -0.30 0.00 0.52 0.00 0.00 54.79 52.22 4pgm n ASP 24 Cb 0.41 -1.55 -0.02 0.00 -0.72 0.00 0.00 41.12 39.24 4pgm n ASP 24 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 4pgm s VAL 25 N 1.69 4.72 0.49 5.18 -7.23 -1.26 -4.91 120.40 119.08 4pgm s VAL 25 Ca 0.52 0.77 0.08 0.00 -1.81 0.00 0.00 61.98 61.54 4pgm s VAL 25 Cb 0.15 -3.78 0.03 0.00 0.56 0.00 0.00 36.38 33.34 4pgm s VAL 25 CO -0.06 -0.76 0.56 -1.59 -0.31 0.00 0.00 175.10 172.93 4pgm s LYS 26 N -4.35 2.48 0.69 4.82 -2.85 -1.26 -3.80 119.74 115.47 4pgm s LYS 26 Ca 0.53 -1.59 -0.16 0.00 -1.00 0.00 0.00 55.97 53.76 4pgm s LYS 26 Cb -0.10 -2.50 0.02 0.00 -2.06 0.00 0.00 37.83 33.18 4pgm s LYS 26 CO 0.39 -0.49 1.20 -1.17 0.10 0.00 0.00 175.35 175.38 4pgm s LEU 27 N -4.37 3.42 0.60 2.77 2.96 -1.26 -1.43 118.68 121.36 4pgm s LEU 27 Ca 0.51 2.35 -0.02 0.00 -0.22 0.00 0.00 54.13 56.75 4pgm s LEU 27 Cb -0.05 -4.59 0.04 0.00 0.50 0.00 0.00 46.19 42.09 4pgm s LEU 27 CO 0.31 -2.04 0.86 -0.94 -1.32 0.00 0.00 176.35 173.22 4pgm s SER 28 N -1.95 5.13 0.23 3.68 1.04 -0.26 -4.45 113.70 117.12 4pgm s SER 28 Ca 0.75 0.17 -0.07 0.00 0.48 0.00 0.00 55.95 57.28 4pgm s SER 28 Cb -0.29 -0.98 0.31 0.00 0.10 0.00 0.00 66.02 65.16 4pgm s SER 28 CO 0.42 -1.29 1.81 0.00 0.98 0.00 0.00 173.24 175.16 4pgm h ALA 29 N -0.16 1.03 0.00 5.32 0.00 -1.97 -0.56 119.26 122.92 4pgm h ALA 29 Ca -0.43 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.36 4pgm h ALA 29 Cb 1.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 4pgm h ALA 29 CO 0.55 0.08 -0.66 1.57 0.00 0.00 0.00 179.25 180.79 4pgm h LYS 30 N 0.74 0.00 -0.46 0.00 -0.00 -1.94 -2.71 116.57 112.21 4pgm h LYS 30 Ca 0.35 0.00 0.06 0.00 -0.00 0.00 0.00 60.65 61.05 4pgm h LYS 30 Cb 0.26 0.00 -0.05 0.00 -0.00 0.00 0.00 32.23 32.44 4pgm h LYS 30 CO -0.21 0.66 0.18 0.78 -0.00 0.00 0.00 179.45 180.86 4pgm h GLY 31 N 2.52 0.62 1.68 0.07 0.00 -1.43 -0.46 103.07 106.06 4pgm h GLY 31 Ca -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 4pgm h GLY 31 CO 0.09 0.04 0.06 1.46 0.00 0.00 0.00 176.54 178.19 4pgm h GLN 32 N 0.37 0.41 -0.25 4.80 4.20 -0.98 -2.21 115.11 121.45 4pgm h GLN 32 Ca 0.21 -0.06 -0.19 0.00 0.06 0.00 0.00 58.65 58.67 4pgm h GLN 32 Cb 0.19 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.90 4pgm h GLN 32 CO -0.20 0.39 -0.60 1.96 -0.67 0.00 0.00 178.83 179.71 4pgm h GLN 33 N 0.41 0.81 -0.40 1.46 4.20 -1.03 -2.83 115.11 117.74 4pgm h GLN 33 Ca 0.10 -0.55 -0.06 0.00 0.06 0.00 0.00 58.65 58.20 4pgm h GLN 33 Cb 0.17 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 4pgm h GLN 33 CO -0.00 1.17 0.00 0.93 -0.67 0.00 0.00 178.83 180.26 4pgm h GLU 34 N 0.61 0.63 -0.17 1.46 5.08 -0.63 -0.40 114.58 121.16 4pgm h GLU 34 Ca -0.00 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 4pgm h GLU 34 Cb 1.20 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 4pgm h GLU 34 CO 0.13 0.65 0.02 0.00 -1.00 0.00 0.00 179.01 178.81 4pgm h ALA 35 N 1.41 0.17 -0.38 3.43 0.00 -1.28 0.88 119.26 123.48 4pgm h ALA 35 Ca 0.12 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.09 4pgm h ALA 35 Cb 0.37 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 4pgm h ALA 35 CO 0.01 -0.42 0.23 0.00 0.00 0.00 0.00 179.25 179.08 4pgm h ALA 36 N 1.13 0.48 -0.77 0.00 0.00 -1.21 0.15 119.26 119.05 4pgm h ALA 36 Ca 0.08 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.03 4pgm h ALA 36 Cb 0.08 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 4pgm h ALA 36 CO -0.11 -0.11 0.47 -0.09 0.00 0.00 0.00 179.25 179.41 4pgm h ARG 37 N 0.47 0.85 -0.06 0.00 9.65 -0.14 0.41 114.38 125.56 4pgm h ARG 37 Ca 0.15 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.97 4pgm h ARG 37 Cb -0.00 -0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 28.38 4pgm h ARG 37 CO -0.07 0.56 0.01 0.00 2.80 0.00 0.00 179.97 183.28 4pgm h ALA 38 N 1.36 0.08 -0.84 2.80 0.00 0.20 -0.28 119.26 122.58 4pgm h ALA 38 Ca 0.33 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 4pgm h ALA 38 Cb 0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 4pgm h ALA 38 CO -0.15 -0.30 0.47 0.78 0.00 0.00 0.00 179.25 180.05 4pgm h GLY 39 N -0.12 1.24 0.65 0.00 0.00 -0.16 -0.37 103.07 104.31 4pgm h GLY 39 Ca 0.02 -0.55 0.04 0.00 0.00 0.00 0.00 47.33 46.84 4pgm h GLY 39 CO 0.00 0.53 0.06 -2.09 0.00 0.00 0.00 176.54 175.04 4pgm h GLU 40 N 1.16 0.17 -0.71 4.80 4.57 0.08 -1.41 114.58 123.24 4pgm h GLU 40 Ca 0.30 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.40 4pgm h GLU 40 Cb 0.01 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 4pgm h GLU 40 CO -0.05 0.11 0.19 1.25 -1.18 0.00 0.00 179.01 179.34 4pgm h LEU 41 N 0.17 1.05 -0.41 1.64 5.85 -0.50 -0.38 115.31 122.73 4pgm h LEU 41 Ca 0.14 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.68 4pgm h LEU 41 Cb 0.15 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 4pgm h LEU 41 CO -0.18 0.99 0.21 0.25 -0.34 0.00 0.00 178.44 179.37 4pgm h LEU 42 N 1.06 0.33 0.08 2.25 5.85 -0.38 -0.54 115.31 123.97 4pgm h LEU 42 Ca 0.23 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 4pgm h LEU 42 Cb 0.34 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.32 4pgm h LEU 42 CO -0.00 0.23 -0.04 0.50 -0.34 0.00 0.00 178.44 178.79 4pgm h LYS 43 N 0.43 -0.11 -0.60 1.25 3.64 -0.99 -1.87 116.57 118.32 4pgm h LYS 43 Ca 0.17 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.68 4pgm h LYS 43 Cb 0.06 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 31.81 4pgm h LYS 43 CO -0.11 0.27 0.07 1.49 -2.27 0.00 0.00 179.45 178.90 4pgm h GLU 44 N -0.51 0.18 -0.15 1.90 4.81 -0.90 -1.53 114.58 118.39 4pgm h GLU 44 Ca -0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 4pgm h GLU 44 Cb 0.43 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.77 4pgm h GLU 44 CO 0.02 0.12 0.00 1.63 -0.73 0.00 0.00 179.01 180.05 4pgm n LYS 45 N -5.20 1.43 -3.59 1.92 4.76 -0.22 -4.93 118.16 112.33 4pgm n LYS 45 Ca 0.09 -0.66 -0.21 0.00 -2.87 0.00 0.00 58.31 54.66 4pgm n LYS 45 Cb 0.34 -1.24 0.07 0.00 -1.84 0.00 0.00 35.03 32.35 4pgm n LYS 45 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 4pgm n LYS 46 N -0.04 -6.32 -3.90 1.97 5.02 -0.58 -5.00 118.16 109.31 4pgm n LYS 46 Ca 0.11 0.76 -0.35 0.00 -2.02 0.00 0.00 58.31 56.80 4pgm n LYS 46 Cb 0.19 -5.65 -0.14 0.00 -0.02 0.00 0.00 35.03 29.41 4pgm n LYS 46 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 4pgm s VAL 47 N -3.43 3.05 -0.43 -0.18 1.01 -0.72 -5.07 120.40 114.63 4pgm s VAL 47 Ca 0.19 -1.27 -0.03 0.00 0.00 0.00 0.00 61.98 60.87 4pgm s VAL 47 Cb -0.09 -2.70 0.12 0.00 0.00 0.00 0.00 36.38 33.71 4pgm s VAL 47 CO 0.76 -0.04 0.23 -0.31 0.00 0.00 0.00 175.10 175.74 4pgm s TYR 48 N 1.29 3.57 0.40 5.22 2.02 -1.26 -4.60 117.35 123.99 4pgm s TYR 48 Ca -0.04 -2.49 -0.26 0.00 -0.37 0.00 0.00 57.07 53.91 4pgm s TYR 48 Cb -0.19 -3.21 -0.09 0.00 -0.40 0.00 0.00 41.96 38.07 4pgm s TYR 48 CO -0.01 -0.95 1.34 -1.25 -1.57 0.00 0.00 175.55 173.10 4pgm s PRO 49 N 0.96 3.97 0.09 -1.71 0.04 -1.26 -4.74 135.00 132.35 4pgm s PRO 49 Ca 0.10 2.23 0.21 0.00 0.04 0.00 0.00 61.00 63.58 4pgm s PRO 49 Cb -0.22 -2.78 -0.15 0.00 0.04 0.00 0.00 34.50 31.39 4pgm s PRO 49 CO -0.04 -0.52 0.78 -0.25 0.04 0.00 0.00 177.00 177.01 4pgm n ASP 50 N 0.16 0.52 -3.97 6.66 8.00 0.10 -4.95 116.55 123.07 4pgm n ASP 50 Ca 0.03 0.21 -0.09 0.00 0.71 0.00 0.00 54.79 55.65 4pgm n ASP 50 Cb 0.43 0.98 -0.10 0.00 -0.02 0.00 0.00 41.12 42.41 4pgm n ASP 50 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 4pgm s VAL 51 N -3.33 0.15 -0.03 2.53 1.01 -1.14 -4.18 120.40 115.41 4pgm s VAL 51 Ca -0.04 -1.25 0.05 0.00 0.00 0.00 0.00 61.98 60.74 4pgm s VAL 51 Cb 0.11 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.51 4pgm s VAL 51 CO 0.84 -0.69 -0.18 -0.22 0.00 0.00 0.00 175.10 174.85 4pgm s LEU 52 N -2.25 1.98 -0.04 3.92 2.96 0.23 -2.31 118.68 123.16 4pgm s LEU 52 Ca -0.03 -0.34 0.05 0.00 -0.22 0.00 0.00 54.13 53.58 4pgm s LEU 52 Cb 0.00 -0.96 -0.01 0.00 0.50 0.00 0.00 46.19 45.72 4pgm s LEU 52 CO -0.06 0.19 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.68 4pgm s TYR 53 N -0.19 1.73 0.10 5.38 2.02 -0.20 -1.36 117.35 124.84 4pgm s TYR 53 Ca 0.01 -0.46 -0.02 0.00 -0.37 0.00 0.00 57.07 56.24 4pgm s TYR 53 Cb -0.09 -1.15 -0.04 0.00 -0.40 0.00 0.00 41.96 40.28 4pgm s TYR 53 CO 0.01 -0.14 0.04 0.95 -1.57 0.00 0.00 175.55 174.84 4pgm s THR 54 N -0.07 0.14 0.00 -0.71 -4.23 -0.54 -1.22 115.64 109.01 4pgm s THR 54 Ca -0.02 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 4pgm s THR 54 Cb -0.11 -1.83 0.00 0.00 1.34 0.00 0.00 72.50 71.91 4pgm s THR 54 CO 0.02 -0.66 0.00 -1.54 -0.54 0.00 0.00 174.62 171.90 4pgm n SER 55 N -0.02 -0.16 -1.41 3.99 3.41 -1.23 -1.09 113.62 117.10 4pgm n SER 55 Ca -0.09 -0.79 0.12 0.00 -0.26 0.00 0.00 58.87 57.84 4pgm n SER 55 Cb 0.63 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.91 4pgm n SER 55 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 4pgm n LYS 56 N -0.96 2.88 -3.48 4.33 5.02 -1.24 -4.27 118.16 120.44 4pgm n LYS 56 Ca 0.00 -2.71 -0.39 0.00 -2.02 0.00 0.00 58.31 53.19 4pgm n LYS 56 Cb 0.00 -1.63 -0.10 0.00 -0.02 0.00 0.00 35.03 33.28 4pgm n LYS 56 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 4pgm s LEU 57 N -1.13 4.03 0.49 -0.35 1.43 -1.26 -4.98 118.68 116.92 4pgm s LEU 57 Ca 0.50 0.15 0.34 0.00 -1.03 0.00 0.00 54.13 54.09 4pgm s LEU 57 Cb 0.27 -2.28 1.46 0.00 0.03 0.00 0.00 46.19 45.67 4pgm s LEU 57 CO 0.33 -0.12 1.73 0.28 0.23 0.00 0.00 176.35 178.79 4pgm h SER 58 N 8.27 0.14 0.27 2.29 0.02 -1.91 -0.31 113.55 122.32 4pgm h SER 58 Ca -0.33 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.60 4pgm h SER 58 Cb 1.17 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 4pgm h SER 58 CO 0.60 -0.02 -0.28 0.08 -1.14 0.00 0.00 176.83 176.08 4pgm h ARG 59 N 0.10 0.02 0.05 3.45 0.11 -1.92 -0.73 114.38 115.46 4pgm h ARG 59 Ca 0.68 -0.00 -0.15 0.00 0.10 0.00 0.00 59.98 60.61 4pgm h ARG 59 Cb 2.41 -0.00 -0.00 0.00 1.11 0.00 0.00 29.97 33.48 4pgm h ARG 59 CO -0.15 0.29 -0.75 0.00 0.10 0.00 0.00 179.97 179.47 4pgm h ALA 60 N 1.71 0.08 -0.62 0.08 0.00 -1.39 -3.21 119.26 115.90 4pgm h ALA 60 Ca 0.00 -0.83 0.07 0.00 0.00 0.00 0.00 54.91 54.16 4pgm h ALA 60 Cb 0.50 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 4pgm h ALA 60 CO 0.04 0.41 0.30 0.82 0.00 0.00 0.00 179.25 180.82 4pgm h ILE 61 N -0.73 0.88 -0.21 0.00 2.04 -1.41 -1.47 117.51 116.60 4pgm h ILE 61 Ca -0.17 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.53 4pgm h ILE 61 Cb 1.35 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 4pgm h ILE 61 CO -0.01 0.10 0.02 1.56 0.00 0.00 0.00 178.15 179.82 4pgm h GLN 62 N 0.54 0.09 -0.07 2.37 4.20 -1.27 -0.47 115.11 120.50 4pgm h GLN 62 Ca 0.30 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 59.04 4pgm h GLN 62 Cb 0.27 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.98 4pgm h GLN 62 CO -0.23 0.06 -0.26 1.15 -0.67 0.00 0.00 178.83 178.88 4pgm h THR 63 N 0.09 0.39 -0.65 -0.54 2.02 -1.41 0.90 112.91 113.72 4pgm h THR 63 Ca 0.10 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.39 4pgm h THR 63 Cb 0.11 0.39 -0.08 0.00 -1.74 0.00 0.00 68.15 66.83 4pgm h THR 63 CO -0.15 0.00 0.22 0.00 0.37 0.00 0.00 175.52 175.96 4pgm h ALA 64 N 0.51 0.85 0.37 6.16 0.00 -0.80 0.70 119.26 127.05 4pgm h ALA 64 Ca 0.08 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 4pgm h ALA 64 Cb 0.48 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.37 4pgm h ALA 64 CO -0.28 -0.23 -0.18 -0.91 0.00 0.00 0.00 179.25 177.66 4pgm h ASN 65 N 0.38 -0.42 -0.64 0.00 -0.26 -0.30 0.14 115.58 114.49 4pgm h ASN 65 Ca 0.34 -0.10 -0.00 0.00 -0.56 0.00 0.00 56.30 55.98 4pgm h ASN 65 Cb 0.48 0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 37.81 4pgm h ASN 65 CO -0.36 -0.14 0.39 0.40 -1.06 0.00 0.00 177.43 176.65 4pgm h ILE 66 N -0.70 1.18 -0.18 2.81 2.04 -0.68 -0.17 117.51 121.82 4pgm h ILE 66 Ca -0.05 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 4pgm h ILE 66 Cb 0.49 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 4pgm h ILE 66 CO 0.08 0.19 -0.10 0.00 0.00 0.00 0.00 178.15 178.32 4pgm h ALA 67 N 1.53 0.25 -0.47 1.87 0.00 -0.70 -2.76 119.26 118.98 4pgm h ALA 67 Ca 0.23 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 4pgm h ALA 67 Cb -0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 4pgm h ALA 67 CO -0.04 0.09 -0.12 -0.07 0.00 0.00 0.00 179.25 179.10 4pgm h LEU 68 N 0.06 0.87 -0.11 0.00 -0.00 -0.33 -1.06 115.31 114.75 4pgm h LEU 68 Ca 0.04 -0.28 0.04 0.00 -0.00 0.00 0.00 57.88 57.68 4pgm h LEU 68 Cb 0.60 -0.24 -0.05 0.00 -0.00 0.00 0.00 40.66 40.97 4pgm h LEU 68 CO 0.03 1.00 -0.17 -0.08 -0.00 0.00 0.00 178.44 179.22 4pgm h GLU 69 N 0.78 -0.22 -0.29 1.13 4.22 -1.01 0.16 114.58 119.35 4pgm h GLU 69 Ca 0.13 0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.55 4pgm h GLU 69 Cb 0.64 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 4pgm h GLU 69 CO 0.04 -0.15 0.04 0.87 -2.18 0.00 0.00 179.01 177.64 4pgm h LYS 70 N -0.23 0.43 0.00 1.92 1.79 -1.40 -1.68 116.57 117.41 4pgm h LYS 70 Ca 0.09 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 4pgm h LYS 70 Cb 0.35 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 4pgm h LYS 70 CO -0.24 0.43 0.00 0.00 -1.08 0.00 0.00 179.45 178.56 4pgm n ALA 71 N -2.48 2.26 -2.76 3.86 0.00 -0.41 -4.68 120.51 116.30 4pgm n ALA 71 Ca 0.01 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.27 4pgm n ALA 71 Cb 0.19 -1.46 0.02 0.00 0.00 0.00 0.00 19.45 18.21 4pgm n ALA 71 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 4pgm n ASP 72 N -1.76 -3.94 -2.72 0.00 8.00 0.45 -4.81 116.55 111.77 4pgm n ASP 72 Ca 0.06 -0.18 -0.06 0.00 0.71 0.00 0.00 54.79 55.32 4pgm n ASP 72 Cb 0.36 -2.73 0.04 0.00 -0.02 0.00 0.00 41.12 38.76 4pgm n ASP 72 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 4pgm n ARG 73 N -2.49 1.61 0.14 -1.24 1.74 -0.91 -4.88 116.66 110.63 4pgm n ARG 73 Ca -0.04 -3.46 0.00 0.00 -0.77 0.00 0.00 57.85 53.58 4pgm n ARG 73 Cb 0.55 -1.50 0.27 0.00 -1.02 0.00 0.00 32.46 30.76 4pgm n ARG 73 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 4pgm h LEU 74 N 2.76 0.10 -0.28 0.55 4.07 -1.90 -3.13 115.31 117.48 4pgm h LEU 74 Ca -0.09 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.83 4pgm h LEU 74 Cb 1.23 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.94 4pgm h LEU 74 CO 0.36 0.52 0.00 -2.67 -1.08 0.00 0.00 178.44 175.57 4pgm n TRP 75 N -4.02 0.15 -1.70 1.13 4.27 -1.26 -4.84 117.44 111.16 4pgm n TRP 75 Ca -0.02 0.08 -0.43 0.00 -3.89 0.00 0.00 57.50 53.24 4pgm n TRP 75 Cb 0.47 -0.62 -0.01 0.00 -1.36 0.00 0.00 31.31 29.79 4pgm n TRP 75 CO 0.00 0.00 0.00 -0.89 -2.29 0.00 0.00 177.69 174.51 4pgm n ILE 76 N -1.65 1.77 -2.12 -1.67 -0.00 -1.19 -4.97 119.36 109.54 4pgm n ILE 76 Ca -0.00 -0.44 -0.41 0.00 -0.00 0.00 0.00 62.75 61.90 4pgm n ILE 76 Cb 0.01 -1.58 -0.02 0.00 -0.00 0.00 0.00 39.64 38.05 4pgm n ILE 76 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 4pgm s PRO 77 N -1.56 4.36 -0.02 0.38 0.04 -1.26 -4.86 135.00 132.07 4pgm s PRO 77 Ca 0.58 2.21 0.05 0.00 0.04 0.00 0.00 61.00 63.88 4pgm s PRO 77 Cb -0.58 -3.08 -0.01 0.00 0.04 0.00 0.00 34.50 30.87 4pgm s PRO 77 CO 0.59 -0.20 -0.18 0.08 0.04 0.00 0.00 177.00 177.33 4pgm s VAL 78 N -0.98 1.47 0.02 -0.36 1.01 -1.26 -0.60 120.40 119.70 4pgm s VAL 78 Ca 0.50 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.72 4pgm s VAL 78 Cb -0.40 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 4pgm s VAL 78 CO 0.51 0.42 -0.08 0.20 0.00 0.00 0.00 175.10 176.15 4pgm s ASN 79 N -0.33 0.87 0.07 3.32 -0.87 -0.46 -4.99 114.94 112.54 4pgm s ASN 79 Ca 0.05 -0.36 0.07 0.00 -1.57 0.00 0.00 52.86 51.05 4pgm s ASN 79 Cb -0.08 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.25 41.10 4pgm s ASN 79 CO -0.00 -0.07 -0.19 -0.13 -2.57 0.00 0.00 177.10 174.15 4pgm s ARG 80 N -0.95 1.12 -0.09 -0.60 0.52 -1.26 -1.47 118.95 116.22 4pgm s ARG 80 Ca -0.04 -1.00 -0.07 0.00 -0.52 0.00 0.00 55.73 54.11 4pgm s ARG 80 Cb -0.07 -1.26 0.03 0.00 0.52 0.00 0.00 34.95 34.18 4pgm s ARG 80 CO 0.00 0.30 0.24 0.45 0.02 0.00 0.00 175.30 176.32 4pgm s SER 81 N -1.54 -0.25 0.58 0.23 0.15 -0.25 -4.94 113.70 107.68 4pgm s SER 81 Ca 0.05 0.49 0.27 0.00 0.70 0.00 0.00 55.95 57.46 4pgm s SER 81 Cb -0.09 0.45 1.72 0.00 -1.71 0.00 0.00 66.02 66.38 4pgm s SER 81 CO 0.03 -0.12 2.22 4.11 1.20 0.00 0.00 173.24 180.68 4pgm h TRP 82 N 6.36 0.00 0.00 3.44 5.08 -1.91 -1.90 115.95 127.02 4pgm h TRP 82 Ca -0.32 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.65 4pgm h TRP 82 Cb 1.18 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.34 4pgm h TRP 82 CO 0.39 0.00 -0.01 0.00 -1.28 0.00 0.00 178.44 177.54 4pgm h ARG 83 N 0.00 0.00 -0.56 0.12 3.08 -1.94 -2.33 114.38 112.76 4pgm h ARG 83 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 4pgm h ARG 83 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 4pgm h ARG 83 CO -0.00 0.01 0.00 1.28 -1.07 0.00 0.00 179.97 180.19 4pgm n LEU 84 N -3.11 3.67 -4.55 3.04 4.77 -0.72 -4.06 117.00 116.04 4pgm n LEU 84 Ca -0.01 -1.71 -0.28 0.00 -0.03 0.00 0.00 56.01 53.97 4pgm n LEU 84 Cb 0.18 -0.37 0.23 0.00 -2.33 0.00 0.00 43.42 41.14 4pgm n LEU 84 CO 0.24 0.86 0.56 0.20 -1.33 0.00 0.00 177.39 177.91 4pgm s ASN 85 N -1.25 1.48 0.97 -1.43 -0.87 -0.88 -4.32 114.94 108.64 4pgm s ASN 85 Ca 0.44 1.35 -0.13 0.00 -1.57 0.00 0.00 52.86 52.95 4pgm s ASN 85 Cb 0.24 -2.10 0.17 0.00 -0.02 0.00 0.00 41.25 39.54 4pgm s ASN 85 CO 0.33 -3.87 1.13 -0.70 -2.57 0.00 0.00 177.10 171.41 4pgm s GLU 86 N -4.65 0.63 0.11 -0.60 2.56 -1.26 -4.25 118.70 111.24 4pgm s GLU 86 Ca 0.67 0.30 -0.31 0.00 0.00 0.00 0.00 54.97 55.64 4pgm s GLU 86 Cb -0.23 -1.78 -0.07 0.00 2.00 0.00 0.00 34.13 34.05 4pgm s GLU 86 CO 0.62 -2.54 1.31 0.50 -0.56 0.00 0.00 175.26 174.59 4pgm s ARG 87 N -5.20 4.37 0.11 4.30 3.52 -1.26 -4.76 118.95 120.03 4pgm s ARG 87 Ca 0.65 1.96 -0.31 0.00 -0.13 0.00 0.00 55.73 57.91 4pgm s ARG 87 Cb -0.15 -3.27 -0.08 0.00 -1.56 0.00 0.00 34.95 29.88 4pgm s ARG 87 CO 0.55 -0.34 1.48 -1.58 -0.81 0.00 0.00 175.30 174.60 4pgm s HIS 88 N 0.91 3.03 -0.25 5.12 5.65 -1.26 -4.12 115.29 124.37 4pgm s HIS 88 Ca 0.61 0.75 0.02 0.00 0.25 0.00 0.00 55.06 56.69 4pgm s HIS 88 Cb -0.34 -3.79 0.34 0.00 -1.18 0.00 0.00 32.58 27.60 4pgm s HIS 88 CO 0.31 -2.91 1.44 0.66 -0.65 0.00 0.00 174.74 173.59 4pgm n TYR 89 N 4.35 1.52 0.00 3.88 4.01 -1.26 -1.51 117.16 128.15 4pgm n TYR 89 Ca 0.13 -1.13 0.00 0.00 -0.16 0.00 0.00 57.90 56.74 4pgm n TYR 89 Cb 0.41 -0.58 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 4pgm n TYR 89 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 4pgm n GLY 90 N -0.29 0.94 0.25 2.72 0.00 -1.26 -1.26 105.19 106.29 4pgm n GLY 90 Ca 0.29 -0.44 0.17 0.00 0.00 0.00 0.00 46.02 46.04 4pgm n GLY 90 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 4pgm h ASP 91 N 0.00 0.00 0.63 1.61 3.58 -0.86 -2.20 116.42 119.17 4pgm h ASP 91 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 4pgm h ASP 91 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 4pgm h ASP 91 CO 0.00 0.00 0.00 0.18 -2.88 0.00 0.00 179.24 176.54 4pgm n LEU 92 N -2.69 0.48 -4.68 2.28 4.32 -0.39 -4.82 117.00 111.50 4pgm n LEU 92 Ca -0.02 0.62 -0.42 0.00 -0.02 0.00 0.00 56.01 56.18 4pgm n LEU 92 Cb 0.09 -0.57 -0.03 0.00 -1.62 0.00 0.00 43.42 41.30 4pgm n LEU 92 CO 0.17 -0.50 1.48 -1.10 -1.22 0.00 0.00 177.39 176.22 4pgm s GLN 93 N -3.24 4.15 0.00 3.23 -0.21 -0.83 -2.08 119.66 120.68 4pgm s GLN 93 Ca 0.05 2.53 0.00 0.00 0.02 0.00 0.00 55.36 57.95 4pgm s GLN 93 Cb 0.09 -3.81 0.00 0.00 1.00 0.00 0.00 33.01 30.29 4pgm s GLN 93 CO 0.34 -0.86 0.00 0.41 -2.12 0.00 0.00 175.29 173.06 4pgm n GLY 94 N 4.29 0.76 3.89 3.09 0.00 0.75 -4.84 105.19 113.14 4pgm n GLY 94 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 4pgm n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4pgm s LYS 95 N -0.37 3.52 0.26 1.61 1.02 -0.88 -4.74 119.74 120.15 4pgm s LYS 95 Ca 0.00 -0.18 -0.31 0.00 0.02 0.00 0.00 55.97 55.50 4pgm s LYS 95 Cb 0.00 -3.08 -0.11 0.00 -0.52 0.00 0.00 37.83 34.12 4pgm s LYS 95 CO 0.00 0.66 1.61 0.34 -0.92 0.00 0.00 175.35 177.03 4pgm s ASP 96 N -1.81 6.42 0.17 2.83 -1.08 -1.26 -1.48 116.67 120.46 4pgm s ASP 96 Ca 0.28 2.87 0.00 0.00 -0.52 0.00 0.00 52.55 55.18 4pgm s ASP 96 Cb -0.13 -2.62 0.03 0.00 -1.46 0.00 0.00 42.92 38.74 4pgm s ASP 96 CO 0.17 -0.90 1.40 0.11 0.52 0.00 0.00 175.17 176.47 4pgm h LYS 97 N 5.50 0.30 -0.11 4.34 1.57 -1.28 0.86 116.57 127.74 4pgm h LYS 97 Ca -0.46 -0.28 -0.07 0.00 -1.87 0.00 0.00 60.65 57.97 4pgm h LYS 97 Cb 1.21 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.60 4pgm h LYS 97 CO 0.84 0.96 -0.20 0.00 -0.57 0.00 0.00 179.45 180.48 4pgm h ALA 98 N 0.95 0.17 -0.44 3.86 0.00 -1.93 -2.34 119.26 119.53 4pgm h ALA 98 Ca -0.04 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 4pgm h ALA 98 Cb 1.42 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 4pgm h ALA 98 CO 0.13 0.12 0.09 0.93 0.00 0.00 0.00 179.25 180.52 4pgm h GLU 99 N -0.10 0.66 0.00 0.00 5.08 -1.93 -1.12 114.58 117.17 4pgm h GLU 99 Ca 0.00 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 4pgm h GLU 99 Cb 0.79 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 4pgm h GLU 99 CO 0.05 0.62 -0.28 1.15 -1.00 0.00 0.00 179.01 179.55 4pgm h THR 100 N 0.64 0.61 0.00 1.13 2.02 -0.84 -1.76 112.91 114.71 4pgm h THR 100 Ca 0.14 -1.36 -0.07 0.00 0.77 0.00 0.00 66.41 65.90 4pgm h THR 100 Cb 0.27 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 4pgm h THR 100 CO -0.00 0.27 -0.32 0.25 0.37 0.00 0.00 175.52 176.09 4pgm h LEU 101 N 0.00 0.00 0.00 2.58 5.85 -0.63 -2.56 115.31 120.54 4pgm h LEU 101 Ca -0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 4pgm h LEU 101 Cb 0.90 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 4pgm h LEU 101 CO 0.04 0.32 -1.77 2.29 -0.34 0.00 0.00 178.44 178.97 4pgm n LYS 102 N -3.70 0.65 0.27 1.25 2.85 -1.08 -4.20 118.16 114.20 4pgm n LYS 102 Ca -0.01 -0.10 -0.13 0.00 -1.05 0.00 0.00 58.31 57.03 4pgm n LYS 102 Cb 0.42 -1.60 -0.06 0.00 -0.65 0.00 0.00 35.03 33.14 4pgm n LYS 102 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 4pgm h LYS 103 N 0.00 -0.70 0.00 -1.58 3.64 -1.17 -3.44 116.57 113.31 4pgm h LYS 103 Ca -0.04 0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 4pgm h LYS 103 Cb 1.11 0.16 0.02 0.00 -0.41 0.00 0.00 32.23 33.11 4pgm h LYS 103 CO 0.00 -0.42 0.02 1.19 -2.27 0.00 0.00 179.45 177.98 4pgm n PHE 104 N -5.27 -3.14 -4.41 1.91 3.72 -0.98 -5.10 117.46 104.19 4pgm n PHE 104 Ca -0.10 -0.59 -0.27 0.00 -0.05 0.00 0.00 57.45 56.43 4pgm n PHE 104 Cb 0.31 -0.22 -0.12 0.00 -0.94 0.00 0.00 39.48 38.51 4pgm n PHE 104 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 4pgm s GLY 105 N -3.17 1.69 0.11 1.37 0.00 -1.26 -4.68 107.32 101.38 4pgm s GLY 105 Ca 0.21 -1.60 0.02 0.00 0.00 0.00 0.00 44.72 43.35 4pgm s GLY 105 CO 0.14 -1.62 0.54 1.18 0.00 0.00 0.00 173.10 173.34 4pgm n GLU 106 N 0.35 -0.03 0.47 2.90 -0.58 -1.26 0.48 120.64 122.97 4pgm n GLU 106 Ca -0.13 0.50 -0.19 0.00 -0.42 0.00 0.00 57.16 56.92 4pgm n GLU 106 Cb 0.55 -0.82 -0.09 0.00 -0.57 0.00 0.00 31.44 30.51 4pgm n GLU 106 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 4pgm h GLU 107 N 0.00 -1.13 0.00 3.49 4.11 -1.96 0.59 114.58 119.67 4pgm h GLU 107 Ca 0.23 0.08 -0.06 0.00 0.07 0.00 0.00 59.36 59.67 4pgm h GLU 107 Cb 0.50 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 4pgm h GLU 107 CO -0.31 -0.75 -0.28 -0.22 0.07 0.00 0.00 179.01 177.52 4pgm h LYS 108 N -1.21 0.00 0.20 1.06 3.64 -0.37 -1.92 116.57 117.97 4pgm h LYS 108 Ca -0.12 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 4pgm h LYS 108 Cb 0.91 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 4pgm h LYS 108 CO 0.20 0.28 -0.10 0.35 -2.27 0.00 0.00 179.45 177.91 4pgm h PHE 109 N 0.00 -0.25 0.00 1.91 3.57 -0.35 0.11 116.94 121.94 4pgm h PHE 109 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 4pgm h PHE 109 Cb 0.71 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.53 4pgm h PHE 109 CO 0.00 0.15 0.00 -1.71 -2.23 0.00 0.00 178.31 174.52 4pgm n ASN 110 N -5.00 0.54 -0.06 0.41 5.15 0.19 -0.33 115.26 116.16 4pgm n ASN 110 Ca -0.09 0.68 -0.05 0.00 -0.60 0.00 0.00 54.58 54.52 4pgm n ASN 110 Cb 0.26 -0.77 -0.04 0.00 -0.53 0.00 0.00 39.78 38.70 4pgm n ASN 110 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 4pgm h THR 111 N 0.00 0.50 0.00 -0.44 2.02 -1.10 0.29 112.91 114.17 4pgm h THR 111 Ca 0.00 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 65.79 4pgm h THR 111 Cb 0.21 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 4pgm h THR 111 CO 0.00 0.17 0.00 1.88 0.37 0.00 0.00 175.52 177.94 4pgm h TYR 112 N -1.00 0.00 0.00 3.16 0.05 -0.56 0.52 116.97 119.14 4pgm h TYR 112 Ca -0.01 0.00 -0.37 0.00 0.05 0.00 0.00 58.73 58.40 4pgm h TYR 112 Cb 0.36 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.04 4pgm h TYR 112 CO 0.06 0.00 -2.22 0.54 -1.05 0.00 0.00 178.16 175.49 4pgm n ARG 113 N -2.32 0.46 -0.06 4.88 1.74 0.55 -4.33 116.66 117.60 4pgm n ARG 113 Ca -0.01 0.20 0.03 0.00 -0.77 0.00 0.00 57.85 57.30 4pgm n ARG 113 Cb 0.09 -1.28 0.06 0.00 -1.02 0.00 0.00 32.46 30.30 4pgm n ARG 113 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 4pgm n ARG 114 N -3.94 2.64 -2.17 5.56 5.12 0.98 -5.00 116.66 119.86 4pgm n ARG 114 Ca -0.43 -1.84 -0.42 0.00 -1.93 0.00 0.00 57.85 53.23 4pgm n ARG 114 Cb 0.81 -1.17 -0.03 0.00 -1.16 0.00 0.00 32.46 30.91 4pgm n ARG 114 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 4pgm s SER 115 N -1.41 6.80 0.44 0.55 0.15 0.17 -4.84 113.70 115.55 4pgm s SER 115 Ca 0.11 2.11 0.14 0.00 0.70 0.00 0.00 55.95 59.02 4pgm s SER 115 Cb 0.08 -2.55 1.05 0.00 -1.71 0.00 0.00 66.02 62.89 4pgm s SER 115 CO 0.03 -0.79 1.97 0.15 1.20 0.00 0.00 173.24 175.80 4pgm h PHE 116 N 8.37 0.42 0.00 3.44 3.57 -1.88 -3.24 116.94 127.62 4pgm h PHE 116 Ca -0.37 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.14 4pgm h PHE 116 Cb 1.17 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.77 4pgm h PHE 116 CO 0.80 0.20 0.00 -0.40 -2.23 0.00 0.00 178.31 176.67 4pgm n ASP 117 N -4.47 1.28 -4.15 0.41 5.68 -1.26 -1.36 116.55 112.68 4pgm n ASP 117 Ca 0.10 -1.62 -0.37 0.00 -0.50 0.00 0.00 54.79 52.40 4pgm n ASP 117 Cb 0.40 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.27 4pgm n ASP 117 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 4pgm s VAL 118 N -0.62 3.44 0.68 2.12 1.01 -1.22 -4.94 120.40 120.86 4pgm s VAL 118 Ca 0.00 -1.86 -0.11 0.00 0.00 0.00 0.00 61.98 60.01 4pgm s VAL 118 Cb 0.00 -3.27 -0.00 0.00 0.00 0.00 0.00 36.38 33.11 4pgm s VAL 118 CO 0.00 -0.60 1.06 -2.16 0.00 0.00 0.00 175.10 173.40 4pgm s PRO 119 N 1.21 3.06 1.33 2.72 0.04 -1.26 -4.41 135.00 137.69 4pgm s PRO 119 Ca 0.06 0.95 -0.20 0.00 0.04 0.00 0.00 61.00 61.85 4pgm s PRO 119 Cb -0.23 -2.01 0.34 0.00 0.04 0.00 0.00 34.50 32.64 4pgm s PRO 119 CO -0.03 -1.00 0.98 -2.14 0.04 0.00 0.00 177.00 174.84 4pgm s PRO 120 N -4.97 -2.22 0.74 0.56 0.02 -1.26 -4.87 135.00 122.99 4pgm s PRO 120 Ca 0.58 0.27 -0.12 0.00 0.02 0.00 0.00 61.00 61.75 4pgm s PRO 120 Cb -0.14 -1.45 0.04 0.00 0.02 0.00 0.00 34.50 32.97 4pgm s PRO 120 CO 0.53 -4.45 1.10 -2.14 -0.33 0.00 0.00 177.00 171.71 4pgm s PRO 121 N -4.97 2.43 0.31 5.54 0.02 -1.26 -4.79 135.00 132.29 4pgm s PRO 121 Ca 0.69 1.24 -0.29 0.00 0.02 0.00 0.00 61.00 62.66 4pgm s PRO 121 Cb -0.16 -1.91 -0.10 0.00 0.02 0.00 0.00 34.50 32.35 4pgm s PRO 121 CO 0.59 -1.52 1.33 -1.25 -0.33 0.00 0.00 177.00 175.82 4pgm s PRO 122 N -4.63 4.34 0.11 5.54 0.04 -1.26 -0.40 135.00 138.74 4pgm s PRO 122 Ca 0.63 2.22 -0.24 0.00 0.04 0.00 0.00 61.00 63.65 4pgm s PRO 122 Cb -0.18 -3.08 -0.07 0.00 0.04 0.00 0.00 34.50 31.21 4pgm s PRO 122 CO 0.51 -0.23 0.73 -1.50 0.04 0.00 0.00 177.00 176.55 4pgm s ILE 123 N -0.91 4.56 0.33 0.56 2.07 -0.64 -4.03 121.20 123.15 4pgm s ILE 123 Ca 0.51 1.58 -0.29 0.00 -1.41 0.00 0.00 60.65 61.04 4pgm s ILE 123 Cb -0.40 -4.08 -0.11 0.00 0.13 0.00 0.00 42.46 38.00 4pgm s ILE 123 CO 0.51 0.48 1.51 -0.62 -1.91 0.00 0.00 174.94 174.91 4pgm s ASP 124 N -0.78 6.40 0.60 4.50 2.15 -1.26 -4.89 116.67 123.39 4pgm s ASP 124 Ca 0.35 2.96 0.30 0.00 0.43 0.00 0.00 52.55 56.59 4pgm s ASP 124 Cb -0.22 -2.65 1.80 0.00 -0.30 0.00 0.00 42.92 41.56 4pgm s ASP 124 CO 0.24 -0.85 2.21 0.00 -0.17 0.00 0.00 175.17 176.59 4pgm h ALA 125 N 3.89 1.58 0.00 3.66 0.00 -1.99 -2.24 119.26 124.15 4pgm h ALA 125 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 4pgm h ALA 125 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 4pgm h ALA 125 CO 0.71 -0.09 -0.74 -1.13 0.00 0.00 0.00 179.25 178.00 4pgm n SER 126 N -3.78 0.67 -4.70 0.00 3.41 -1.26 -4.88 113.62 103.09 4pgm n SER 126 Ca -0.02 0.04 -0.42 0.00 -0.26 0.00 0.00 58.87 58.21 4pgm n SER 126 Cb 0.16 0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 4pgm n SER 126 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 4pgm n SER 127 N -2.08 2.64 0.00 4.04 2.88 -0.85 -4.84 113.62 115.41 4pgm n SER 127 Ca 0.03 1.17 0.01 0.00 -1.33 0.00 0.00 58.87 58.75 4pgm n SER 127 Cb 0.44 -1.49 0.05 0.00 -0.75 0.00 0.00 64.21 62.47 4pgm n SER 127 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 4pgm n PRO 128 N 0.36 0.00 -0.59 -1.46 -0.02 -1.26 -2.30 135.00 129.74 4pgm n PRO 128 Ca 0.05 0.45 0.02 0.00 -2.02 0.00 0.00 63.50 62.00 4pgm n PRO 128 Cb 0.37 -1.50 0.21 0.00 -0.02 0.00 0.00 33.50 32.56 4pgm n PRO 128 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 4pgm n PHE 129 N -1.48 0.75 -4.42 6.00 3.72 -1.26 -4.96 117.46 115.80 4pgm n PHE 129 Ca 0.01 -1.33 -0.34 0.00 -0.05 0.00 0.00 57.45 55.74 4pgm n PHE 129 Cb 0.03 -0.37 -0.10 0.00 -0.94 0.00 0.00 39.48 38.10 4pgm n PHE 129 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 4pgm s SER 130 N -2.53 5.05 -0.31 4.37 0.15 -0.97 -4.82 113.70 114.63 4pgm s SER 130 Ca 0.41 0.07 0.08 0.00 0.70 0.00 0.00 55.95 57.21 4pgm s SER 130 Cb 0.37 -1.36 0.50 0.00 -1.71 0.00 0.00 66.02 63.82 4pgm s SER 130 CO 0.02 0.35 1.48 0.00 1.20 0.00 0.00 173.24 176.29 4pgm n GLN 131 N 2.01 1.99 -1.99 5.44 0.00 -1.26 -4.98 117.38 118.59 4pgm n GLN 131 Ca -0.18 -3.27 -0.43 0.00 0.00 0.00 0.00 57.00 53.12 4pgm n GLN 131 Cb 0.53 -1.87 -0.03 0.00 0.00 0.00 0.00 30.24 28.87 4pgm n GLN 131 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 4pgm s LYS 132 N -3.31 3.61 0.00 2.61 2.36 -1.26 -1.65 119.74 122.10 4pgm s LYS 132 Ca 0.46 1.69 0.00 0.00 -2.55 0.00 0.00 55.97 55.57 4pgm s LYS 132 Cb 0.41 -4.13 0.00 0.00 -1.05 0.00 0.00 37.83 33.06 4pgm s LYS 132 CO -0.00 -1.53 0.00 0.41 1.55 0.00 0.00 175.35 175.78 4pgm n GLY 133 N 5.01 0.94 3.76 5.54 0.00 -1.26 -5.07 105.19 114.11 4pgm n GLY 133 Ca 0.21 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 4pgm n GLY 133 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 4pgm s ASP 134 N -2.06 6.99 0.29 1.61 -1.08 -0.66 -4.93 116.67 116.83 4pgm s ASP 134 Ca 0.00 2.44 0.04 0.00 -0.52 0.00 0.00 52.55 54.51 4pgm s ASP 134 Cb 0.00 -2.63 0.72 0.00 -1.46 0.00 0.00 42.92 39.55 4pgm s ASP 134 CO 0.00 -0.36 1.71 -0.08 0.52 0.00 0.00 175.17 176.96 4pgm h GLU 135 N 3.50 0.44 0.00 4.34 4.81 -1.97 0.68 114.58 126.38 4pgm h GLU 135 Ca -0.48 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 4pgm h GLU 135 Cb 1.22 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.50 4pgm h GLU 135 CO 0.66 0.29 0.00 2.89 -0.73 0.00 0.00 179.01 182.12 4pgm n ARG 136 N -5.00 0.21 -0.05 1.92 1.85 -1.26 -2.65 116.66 111.68 4pgm n ARG 136 Ca 0.22 0.15 0.05 0.00 -1.00 0.00 0.00 57.85 57.27 4pgm n ARG 136 Cb 0.63 -1.50 0.07 0.00 -1.05 0.00 0.00 32.46 30.61 4pgm n ARG 136 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 4pgm n TYR 137 N -1.28 0.00 0.28 2.89 4.01 0.23 -4.79 117.16 118.50 4pgm n TYR 137 Ca 0.07 -0.72 0.17 0.00 -0.16 0.00 0.00 57.90 57.26 4pgm n TYR 137 Cb 0.11 -0.10 0.82 0.00 -0.31 0.00 0.00 39.34 39.86 4pgm n TYR 137 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 4pgm h LYS 138 N 0.00 0.00 -0.08 -0.72 2.10 -1.47 -2.15 116.57 114.25 4pgm h LYS 138 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 4pgm h LYS 138 Cb 0.79 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.12 4pgm h LYS 138 CO 0.00 0.06 0.00 0.66 -2.00 0.00 0.00 179.45 178.17 4pgm n TYR 139 N -3.28 0.07 -3.65 0.07 4.01 -1.26 -4.93 117.16 108.18 4pgm n TYR 139 Ca -0.01 -0.04 -0.34 0.00 -0.16 0.00 0.00 57.90 57.35 4pgm n TYR 139 Cb 0.24 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.21 4pgm n TYR 139 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 4pgm s VAL 140 N -1.93 5.17 -0.27 -0.72 1.01 -0.81 -5.00 120.40 117.86 4pgm s VAL 140 Ca 0.31 0.27 -0.35 0.00 0.00 0.00 0.00 61.98 62.21 4pgm s VAL 140 Cb 0.20 -3.62 -0.11 0.00 0.00 0.00 0.00 36.38 32.85 4pgm s VAL 140 CO 0.31 0.26 2.06 -0.67 0.00 0.00 0.00 175.10 177.06 4pgm n ASP 141 N 0.79 2.58 -0.32 3.32 2.03 -1.26 -4.81 116.55 118.88 4pgm n ASP 141 Ca -0.08 0.61 0.20 0.00 0.52 0.00 0.00 54.79 56.04 4pgm n ASP 141 Cb 0.52 -1.30 0.39 0.00 -0.72 0.00 0.00 41.12 40.02 4pgm n ASP 141 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 4pgm h PRO 142 N 11.24 0.19 0.00 -0.67 0.11 -1.94 -1.52 132.00 139.41 4pgm h PRO 142 Ca -0.36 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.71 4pgm h PRO 142 Cb 1.30 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 4pgm h PRO 142 CO 0.99 0.13 -0.14 -0.91 -0.21 0.00 0.00 178.00 177.86 4pgm h ASN 143 N 0.20 0.00 0.94 -2.05 2.35 -2.01 -2.98 115.58 112.02 4pgm h ASN 143 Ca 0.66 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 56.19 4pgm h ASN 143 Cb 1.48 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.82 4pgm h ASN 143 CO -0.69 0.14 -1.07 1.62 -1.65 0.00 0.00 177.43 175.78 4pgm h VAL 144 N 0.00 1.64 -2.37 2.81 3.04 -1.65 -3.45 116.25 116.27 4pgm h VAL 144 Ca -0.00 -3.35 -0.53 0.00 -1.01 0.00 0.00 66.70 61.80 4pgm h VAL 144 Cb 0.40 2.82 0.02 0.00 -2.01 0.00 0.00 31.29 32.52 4pgm h VAL 144 CO 0.02 0.94 1.24 -0.76 -1.01 0.00 0.00 177.57 177.99 4pgm s LEU 145 N -6.68 4.39 0.71 3.16 1.02 -1.13 -4.97 118.68 115.19 4pgm s LEU 145 Ca 0.00 2.62 -0.11 0.00 0.02 0.00 0.00 54.13 56.67 4pgm s LEU 145 Cb 0.10 -3.53 0.02 0.00 0.02 0.00 0.00 46.19 42.80 4pgm s LEU 145 CO 0.82 -1.08 1.07 -2.16 0.02 0.00 0.00 176.35 175.02 4pgm s PRO 146 N 4.51 2.79 -0.01 1.29 0.04 -1.26 -4.99 135.00 137.37 4pgm s PRO 146 Ca 0.88 0.97 0.01 0.00 0.04 0.00 0.00 61.00 62.90 4pgm s PRO 146 Cb -0.42 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.16 4pgm s PRO 146 CO 0.41 -1.21 1.00 0.39 0.04 0.00 0.00 177.00 177.62 4pgm n GLU 147 N -3.21 2.85 0.00 4.56 1.02 -1.26 -4.97 120.64 119.63 4pgm n GLU 147 Ca 0.08 -1.53 0.00 0.00 -0.02 0.00 0.00 57.16 55.69 4pgm n GLU 147 Cb 0.54 -1.01 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 4pgm n GLU 147 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 4pgm n THR 148 N -0.53 0.00 -3.68 2.62 -1.04 -1.26 -1.61 114.28 108.77 4pgm n THR 148 Ca 0.01 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.92 4pgm n THR 148 Cb 0.27 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.75 4pgm n THR 148 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 4pgm s GLU 149 N -2.00 1.29 0.25 -2.82 2.02 -0.57 -4.83 118.70 112.04 4pgm s GLU 149 Ca 0.00 -0.79 0.04 0.00 0.02 0.00 0.00 54.97 54.24 4pgm s GLU 149 Cb 0.00 0.51 -0.05 0.00 0.10 0.00 0.00 34.13 34.69 4pgm s GLU 149 CO 0.00 -0.54 -0.01 -1.54 0.02 0.00 0.00 175.26 173.19 4pgm s SER 150 N -2.84 2.06 0.45 -0.19 1.04 -1.26 -4.14 113.70 108.82 4pgm s SER 150 Ca 0.07 -1.23 0.15 0.00 0.48 0.00 0.00 55.95 55.43 4pgm s SER 150 Cb -0.00 -0.03 1.09 0.00 0.10 0.00 0.00 66.02 67.17 4pgm s SER 150 CO -0.06 -0.49 1.99 0.25 0.98 0.00 0.00 173.24 175.91 4pgm h LEU 151 N 2.40 0.30 0.36 2.42 6.46 -1.77 -1.21 115.31 124.27 4pgm h LEU 151 Ca -0.39 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.38 4pgm h LEU 151 Cb 1.23 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 41.08 4pgm h LEU 151 CO 0.65 0.18 -0.34 0.00 -0.62 0.00 0.00 178.44 178.31 4pgm h ALA 152 N 1.72 -0.75 -0.66 1.25 0.00 -1.54 -0.24 119.26 119.04 4pgm h ALA 152 Ca 0.26 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 4pgm h ALA 152 Cb 0.58 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 4pgm h ALA 152 CO -0.06 -0.95 0.35 -0.07 0.00 0.00 0.00 179.25 178.51 4pgm h LEU 153 N -0.72 0.83 -0.35 0.00 3.38 -1.74 -2.74 115.31 113.97 4pgm h LEU 153 Ca -0.02 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 57.90 4pgm h LEU 153 Cb 0.65 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 4pgm h LEU 153 CO -0.05 0.70 0.04 0.58 0.09 0.00 0.00 178.44 179.79 4pgm h VAL 154 N 0.90 0.79 -1.01 1.22 2.07 -0.91 -2.07 116.25 117.23 4pgm h VAL 154 Ca 0.23 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.72 4pgm h VAL 154 Cb 0.06 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 4pgm h VAL 154 CO -0.03 0.03 0.67 0.40 0.02 0.00 0.00 177.57 178.65 4pgm h ILE 155 N 0.14 1.24 -0.19 4.57 2.04 -0.80 -0.59 117.51 123.92 4pgm h ILE 155 Ca 0.17 -0.46 0.05 0.00 1.00 0.00 0.00 64.86 65.61 4pgm h ILE 155 Cb 0.21 -0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 36.01 4pgm h ILE 155 CO -0.25 0.25 -0.13 0.44 0.00 0.00 0.00 178.15 178.46 4pgm h ASP 156 N 1.35 -0.42 1.24 1.72 3.32 -1.10 -0.53 116.42 122.01 4pgm h ASP 156 Ca 0.38 0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.46 4pgm h ASP 156 Cb -0.12 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 4pgm h ASP 156 CO -0.09 -0.17 -0.28 0.08 -1.72 0.00 0.00 179.24 177.07 4pgm h ARG 157 N -0.13 0.00 0.21 3.56 0.11 -1.23 -3.32 114.38 113.59 4pgm h ARG 157 Ca 0.11 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.86 4pgm h ARG 157 Cb 0.29 0.00 0.04 0.00 1.11 0.00 0.00 29.97 31.41 4pgm h ARG 157 CO -0.26 0.28 -1.41 1.25 0.10 0.00 0.00 179.97 179.92 4pgm h LEU 158 N 0.00 0.86 -0.82 0.08 6.46 -0.09 -3.38 115.31 118.41 4pgm h LEU 158 Ca -0.00 -0.88 0.10 0.00 -0.12 0.00 0.00 57.88 56.98 4pgm h LEU 158 Cb 0.97 -0.28 -0.07 0.00 -0.73 0.00 0.00 40.66 40.55 4pgm h LEU 158 CO 0.04 1.68 0.47 -0.07 -0.62 0.00 0.00 178.44 179.93 4pgm h LEU 159 N 0.19 0.66 -0.87 2.25 3.38 -1.24 -2.69 115.31 117.00 4pgm h LEU 159 Ca -0.24 0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.81 4pgm h LEU 159 Cb 2.10 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 42.73 4pgm h LEU 159 CO 0.27 0.37 0.57 -0.65 0.09 0.00 0.00 178.44 179.08 4pgm h PRO 160 N 0.77 1.09 -0.84 1.13 0.11 -1.74 0.31 132.00 132.83 4pgm h PRO 160 Ca 0.40 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.42 4pgm h PRO 160 Cb 0.39 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 31.22 4pgm h PRO 160 CO -0.26 0.72 0.40 -0.92 -0.21 0.00 0.00 178.00 177.74 4pgm h TYR 161 N 1.12 1.22 -0.33 0.65 3.20 -1.70 0.12 116.97 121.25 4pgm h TYR 161 Ca 0.34 -0.06 -0.16 0.00 3.14 0.00 0.00 58.73 61.99 4pgm h TYR 161 Cb -0.04 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 37.84 4pgm h TYR 161 CO -0.02 0.88 -0.42 2.35 -1.64 0.00 0.00 178.16 179.32 4pgm h TRP 162 N 1.20 1.00 -0.24 -3.82 2.91 -1.06 -0.49 115.95 115.45 4pgm h TRP 162 Ca 0.29 -0.31 -0.05 0.00 1.13 0.00 0.00 58.89 59.95 4pgm h TRP 162 Cb 0.12 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 28.56 4pgm h TRP 162 CO 0.01 1.10 -0.05 1.96 -1.03 0.00 0.00 178.44 180.43 4pgm h GLN 163 N 0.67 0.45 0.00 2.65 4.20 0.39 0.31 115.11 123.79 4pgm h GLN 163 Ca 0.05 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.59 4pgm h GLN 163 Cb 0.99 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.74 4pgm h GLN 163 CO 0.09 0.68 -0.45 -0.25 -0.67 0.00 0.00 178.83 178.23 4pgm n ASP 164 N -4.58 1.41 0.07 1.46 9.92 -0.04 -4.46 116.55 120.33 4pgm n ASP 164 Ca -0.04 0.50 -0.03 0.00 -0.53 0.00 0.00 54.79 54.69 4pgm n ASP 164 Cb 0.29 -0.77 -0.02 0.00 -0.64 0.00 0.00 41.12 39.98 4pgm n ASP 164 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 4pgm h VAL 165 N -0.77 0.00 -0.93 2.53 2.07 -1.56 -3.05 116.25 114.53 4pgm h VAL 165 Ca 0.00 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 4pgm h VAL 165 Cb 0.45 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 4pgm h VAL 165 CO 0.00 0.00 0.56 0.40 0.02 0.00 0.00 177.57 178.55 4pgm h ILE 166 N -0.43 1.25 -0.92 4.57 2.04 -1.20 -2.93 117.51 119.89 4pgm h ILE 166 Ca -0.02 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 4pgm h ILE 166 Cb 0.16 -0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.14 4pgm h ILE 166 CO 0.03 0.27 0.55 0.00 0.00 0.00 0.00 178.15 179.00 4pgm h ALA 167 N 1.34 1.17 -0.80 1.87 0.00 -1.10 -2.40 119.26 119.34 4pgm h ALA 167 Ca 0.33 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.22 4pgm h ALA 167 Cb -0.06 -0.37 -0.07 0.00 0.00 0.00 0.00 17.79 17.30 4pgm h ALA 167 CO -0.06 0.63 0.47 -0.22 0.00 0.00 0.00 179.25 180.07 4pgm h LYS 168 N 1.27 0.80 -0.36 0.00 3.64 -1.40 0.20 116.57 120.72 4pgm h LYS 168 Ca 0.33 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.57 4pgm h LYS 168 Cb -0.05 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 4pgm h LYS 168 CO -0.06 0.53 -0.12 -0.44 -2.27 0.00 0.00 179.45 177.09 4pgm h ASP 169 N 0.83 0.73 -0.36 4.20 3.32 -1.52 -1.27 116.42 122.35 4pgm h ASP 169 Ca 0.37 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 57.05 4pgm h ASP 169 Cb 0.27 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 4pgm h ASP 169 CO -0.21 0.94 0.24 -0.07 -1.72 0.00 0.00 179.24 178.42 4pgm h LEU 170 N 0.51 0.42 -1.70 1.55 4.07 -0.89 -1.75 115.31 117.51 4pgm h LEU 170 Ca 0.09 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.04 4pgm h LEU 170 Cb 0.64 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.27 4pgm h LEU 170 CO 0.04 0.30 0.00 -0.07 -1.08 0.00 0.00 178.44 177.63 4pgm h LEU 171 N 0.49 0.00 -0.19 1.67 3.38 -0.60 -2.10 115.31 117.95 4pgm h LEU 171 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 4pgm h LEU 171 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 4pgm h LEU 171 CO -0.03 0.00 -0.23 -1.20 0.09 0.00 0.00 178.44 177.07 4pgm n SER 172 N -2.93 0.53 0.00 -0.43 7.64 -0.48 -4.95 113.62 113.00 4pgm n SER 172 Ca -0.00 -0.40 0.00 0.00 1.01 0.00 0.00 58.87 59.48 4pgm n SER 172 Cb 0.23 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 4pgm n SER 172 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 4pgm n GLY 173 N 1.38 0.30 3.77 0.23 0.00 -0.79 -5.07 105.19 105.00 4pgm n GLY 173 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 4pgm n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4pgm s LYS 174 N -0.81 3.03 -0.24 1.61 3.01 -0.97 -4.89 119.74 120.48 4pgm s LYS 174 Ca 0.00 1.55 -0.12 0.00 -1.01 0.00 0.00 55.97 56.39 4pgm s LYS 174 Cb 0.00 -1.97 -0.05 0.00 -1.01 0.00 0.00 37.83 34.81 4pgm s LYS 174 CO 0.00 -1.09 0.22 0.99 0.51 0.00 0.00 175.35 175.98 4pgm s THR 175 N -1.99 5.31 0.04 2.17 2.01 -1.26 -4.37 115.64 117.55 4pgm s THR 175 Ca 0.71 0.31 0.05 0.00 0.31 0.00 0.00 61.69 63.06 4pgm s THR 175 Cb -0.23 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 4pgm s THR 175 CO 0.34 0.30 -0.08 0.68 -0.69 0.00 0.00 174.62 175.18 4pgm s VAL 176 N 1.25 3.56 -0.07 3.82 -7.23 -0.83 0.02 120.40 120.93 4pgm s VAL 176 Ca 0.10 -0.94 0.04 0.00 -1.81 0.00 0.00 61.98 59.37 4pgm s VAL 176 Cb -0.14 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.19 4pgm s VAL 176 CO 0.06 0.30 -0.18 -0.32 -0.31 0.00 0.00 175.10 174.65 4pgm s MET 177 N -1.69 2.72 -0.26 4.82 0.00 -0.98 0.63 119.30 124.53 4pgm s MET 177 Ca 0.19 -0.77 0.02 0.00 0.00 0.00 0.00 55.69 55.13 4pgm s MET 177 Cb -0.11 -2.36 0.06 0.00 0.00 0.00 0.00 34.83 32.42 4pgm s MET 177 CO 0.10 0.45 -0.08 0.42 0.00 0.00 0.00 175.02 175.91 4pgm s ILE 178 N -0.28 1.96 -0.46 10.11 1.01 0.70 -1.03 121.20 133.21 4pgm s ILE 178 Ca 0.01 -1.57 -0.21 0.00 0.00 0.00 0.00 60.65 58.88 4pgm s ILE 178 Cb -0.13 -2.16 0.03 0.00 0.01 0.00 0.00 42.46 40.21 4pgm s ILE 178 CO 0.03 -0.11 0.66 0.00 0.00 0.00 0.00 174.94 175.51 4pgm s ALA 179 N 1.18 3.34 0.00 9.38 0.00 -0.36 -1.64 121.76 133.66 4pgm s ALA 179 Ca -0.06 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.60 4pgm s ALA 179 Cb -0.20 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.59 4pgm s ALA 179 CO -0.06 -1.86 0.00 0.00 0.00 0.00 0.00 175.76 173.84 4pgm n ALA 180 N 6.32 0.00 -4.32 0.00 0.00 -0.87 -3.52 120.51 118.12 4pgm n ALA 180 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.17 4pgm n ALA 180 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 4pgm n ALA 180 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 4pgm n HIS 181 N 0.00 0.34 0.35 0.00 8.25 -1.26 -3.05 115.22 119.85 4pgm n HIS 181 Ca 0.00 -1.93 -0.14 0.00 -0.26 0.00 0.00 57.72 55.39 4pgm n HIS 181 Cb 0.00 -0.30 -0.07 0.00 1.12 0.00 0.00 29.99 30.75 4pgm n HIS 181 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 4pgm h GLY 182 N 0.81 -0.94 0.97 -1.41 0.00 -1.94 -1.50 103.07 99.06 4pgm h GLY 182 Ca -0.31 0.35 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 4pgm h GLY 182 CO 0.51 -0.34 0.01 3.43 0.00 0.00 0.00 176.54 180.15 4pgm h ASN 183 N -1.01 0.76 -0.63 0.19 2.35 -1.96 0.13 115.58 115.41 4pgm h ASN 183 Ca -0.09 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 4pgm h ASN 183 Cb 0.69 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.83 4pgm h ASN 183 CO 0.15 0.87 0.40 0.77 -1.65 0.00 0.00 177.43 177.98 4pgm h SER 184 N 0.62 0.74 -0.33 5.81 4.64 -1.74 0.60 113.55 123.90 4pgm h SER 184 Ca 0.13 -0.04 -0.17 0.00 -0.47 0.00 0.00 61.79 61.24 4pgm h SER 184 Cb 0.47 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 4pgm h SER 184 CO 0.02 0.56 -0.47 -0.07 -0.87 0.00 0.00 176.83 175.99 4pgm h LEU 185 N 0.86 0.99 -0.62 5.97 3.38 -1.15 -2.68 115.31 122.05 4pgm h LEU 185 Ca 0.23 -0.50 0.06 0.00 0.09 0.00 0.00 57.88 57.75 4pgm h LEU 185 Cb -0.07 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.35 4pgm h LEU 185 CO -0.05 1.30 0.33 0.03 0.09 0.00 0.00 178.44 180.15 4pgm h ARG 186 N 0.70 0.61 -0.85 1.13 3.08 -0.42 -0.47 114.38 118.16 4pgm h ARG 186 Ca 0.03 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 4pgm h ARG 186 Cb 1.08 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.95 4pgm h ARG 186 CO 0.11 0.40 0.43 0.78 -1.07 0.00 0.00 179.97 180.62 4pgm h GLY 187 N 0.62 1.30 1.71 0.04 0.00 -0.78 -0.91 103.07 105.05 4pgm h GLY 187 Ca 0.28 -0.62 -0.12 0.00 0.00 0.00 0.00 47.33 46.87 4pgm h GLY 187 CO -0.18 0.59 -0.45 -2.00 0.00 0.00 0.00 176.54 174.50 4pgm h LEU 188 N 1.20 0.34 -0.10 3.11 5.85 -1.01 -2.41 115.31 122.30 4pgm h LEU 188 Ca 0.30 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 4pgm h LEU 188 Cb 0.08 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 4pgm h LEU 188 CO -0.04 0.75 -0.07 0.58 -0.34 0.00 0.00 178.44 179.32 4pgm h VAL 189 N 0.26 1.34 -0.36 1.05 2.07 -0.65 0.28 116.25 120.24 4pgm h VAL 189 Ca 0.02 -1.17 0.08 0.00 0.82 0.00 0.00 66.70 66.45 4pgm h VAL 189 Cb 0.90 1.91 -0.08 0.00 -1.52 0.00 0.00 31.29 32.50 4pgm h VAL 189 CO 0.07 0.33 -0.19 0.50 0.02 0.00 0.00 177.57 178.31 4pgm h LYS 190 N -0.17 -0.12 -0.32 1.57 1.63 -1.14 0.23 116.57 118.24 4pgm h LYS 190 Ca 0.02 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.81 4pgm h LYS 190 Cb 0.56 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 4pgm h LYS 190 CO 0.02 -0.08 0.13 1.25 -3.45 0.00 0.00 179.45 177.32 4pgm h HIS 191 N -0.13 0.48 -0.58 1.91 2.76 -1.39 0.11 115.15 118.31 4pgm h HIS 191 Ca 0.18 -0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 4pgm h HIS 191 Cb 0.41 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.20 4pgm h HIS 191 CO -0.41 0.45 0.25 -0.07 -1.30 0.00 0.00 177.93 176.85 4pgm h LEU 192 N 0.37 0.75 0.00 0.26 3.38 0.85 -3.28 115.31 117.64 4pgm h LEU 192 Ca 0.11 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 4pgm h LEU 192 Cb 0.17 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 4pgm h LEU 192 CO -0.01 0.66 -1.93 -0.62 0.09 0.00 0.00 178.44 176.63 4pgm n GLU 193 N -4.34 0.62 -1.45 1.13 1.02 0.69 -4.52 120.64 113.79 4pgm n GLU 193 Ca 0.05 -0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 4pgm n GLU 193 Cb 0.15 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 4pgm n GLU 193 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 4pgm n GLY 194 N 1.36 0.04 3.58 0.62 0.00 0.34 -5.07 105.19 106.07 4pgm n GLY 194 Ca -0.04 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 4pgm n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4pgm s ILE 195 N -2.97 3.88 1.00 -0.61 1.01 -1.04 -5.07 121.20 117.40 4pgm s ILE 195 Ca 0.00 -0.40 -0.11 0.00 0.00 0.00 0.00 60.65 60.14 4pgm s ILE 195 Cb 0.00 -2.62 0.19 0.00 0.01 0.00 0.00 42.46 40.04 4pgm s ILE 195 CO 0.00 0.57 1.09 -0.94 0.00 0.00 0.00 174.94 175.67 4pgm s SER 196 N -0.52 2.30 0.36 3.58 1.04 -1.26 -4.81 113.70 114.40 4pgm s SER 196 Ca 0.08 1.84 0.15 0.00 0.48 0.00 0.00 55.95 58.50 4pgm s SER 196 Cb -0.12 -2.42 0.69 0.00 0.10 0.00 0.00 66.02 64.27 4pgm s SER 196 CO 0.02 -3.43 1.77 0.44 0.98 0.00 0.00 173.24 173.02 4pgm h ASP 197 N -2.09 0.00 1.37 7.02 5.19 -2.00 -2.12 116.42 123.78 4pgm h ASP 197 Ca -0.51 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 55.78 4pgm h ASP 197 Cb 1.29 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.78 4pgm h ASP 197 CO 0.47 0.41 -0.64 0.00 -3.12 0.00 0.00 179.24 176.36 4pgm h ALA 198 N 1.59 0.62 0.00 3.45 0.00 -2.03 -3.32 119.26 119.58 4pgm h ALA 198 Ca -0.00 -0.55 -0.18 0.00 0.00 0.00 0.00 54.91 54.17 4pgm h ALA 198 Cb 0.81 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 4pgm h ALA 198 CO 0.05 0.74 -1.30 -0.44 0.00 0.00 0.00 179.25 178.30 4pgm h ASP 199 N 0.00 0.00 -0.41 0.00 3.32 -1.87 -3.38 116.42 114.09 4pgm h ASP 199 Ca -0.02 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.15 4pgm h ASP 199 Cb 1.46 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.99 4pgm h ASP 199 CO 0.07 0.65 0.39 -0.29 -1.72 0.00 0.00 179.24 178.34 4pgm h ILE 200 N 0.00 0.49 0.00 0.35 6.09 -1.48 -0.55 117.51 122.40 4pgm h ILE 200 Ca -0.15 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 4pgm h ILE 200 Cb 1.63 0.70 0.00 0.00 0.47 0.00 0.00 36.82 39.62 4pgm h ILE 200 CO 0.06 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.14 4pgm h ALA 201 N 1.61 1.00 0.00 0.18 0.00 -1.79 -2.76 119.26 117.50 4pgm h ALA 201 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 4pgm h ALA 201 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 4pgm h ALA 201 CO -0.00 0.00 -1.02 1.63 0.00 0.00 0.00 179.25 179.86 4pgm n LYS 202 N -2.75 0.35 -3.06 0.00 4.01 -0.21 -4.90 118.16 111.59 4pgm n LYS 202 Ca -0.01 0.01 -0.40 0.00 -0.51 0.00 0.00 58.31 57.40 4pgm n LYS 202 Cb 0.13 -1.63 -0.05 0.00 -0.51 0.00 0.00 35.03 32.97 4pgm n LYS 202 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 4pgm s LEU 203 N -4.17 4.19 -0.05 -0.35 2.96 -1.04 -5.05 118.68 115.16 4pgm s LEU 203 Ca 0.03 0.98 0.02 0.00 -0.22 0.00 0.00 54.13 54.95 4pgm s LEU 203 Cb 0.14 -3.00 0.01 0.00 0.50 0.00 0.00 46.19 43.84 4pgm s LEU 203 CO 0.79 -0.26 -0.11 0.21 -1.32 0.00 0.00 176.35 175.66 4pgm s ASN 204 N 1.08 1.62 -0.26 3.68 3.84 -1.26 -5.02 114.94 118.63 4pgm s ASN 204 Ca 0.33 -0.27 -0.21 0.00 0.21 0.00 0.00 52.86 52.92 4pgm s ASN 204 Cb -0.16 -0.65 -0.02 0.00 -0.55 0.00 0.00 41.25 39.88 4pgm s ASN 204 CO 0.12 0.05 0.67 -0.63 -2.79 0.00 0.00 177.10 174.52 4pgm s ILE 205 N 0.49 4.95 0.48 -5.21 1.01 -1.26 -5.05 121.20 116.61 4pgm s ILE 205 Ca -0.10 1.19 -0.23 0.00 0.00 0.00 0.00 60.65 61.52 4pgm s ILE 205 Cb -0.13 -3.98 -0.07 0.00 0.01 0.00 0.00 42.46 38.29 4pgm s ILE 205 CO 0.02 -0.01 1.21 -2.16 0.00 0.00 0.00 174.94 174.00 4pgm s PRO 206 N 2.58 3.60 0.24 2.79 0.04 -1.26 -4.99 135.00 138.00 4pgm s PRO 206 Ca 0.28 1.87 -0.29 0.00 0.04 0.00 0.00 61.00 62.90 4pgm s PRO 206 Cb -0.15 -2.36 -0.09 0.00 0.04 0.00 0.00 34.50 31.94 4pgm s PRO 206 CO 0.09 -0.71 0.92 0.95 0.04 0.00 0.00 177.00 178.29 4pgm s THR 207 N -1.50 4.10 0.00 1.26 -4.23 -1.26 -4.23 115.64 109.79 4pgm s THR 207 Ca 0.66 2.05 0.00 0.00 -1.18 0.00 0.00 61.69 63.21 4pgm s THR 207 Cb -0.31 -4.30 0.00 0.00 1.34 0.00 0.00 72.50 69.23 4pgm s THR 207 CO 0.37 0.49 0.00 0.61 -0.54 0.00 0.00 174.62 175.55 4pgm n GLY 208 N 1.47 0.50 2.79 3.99 0.00 0.33 -4.89 105.19 109.38 4pgm n GLY 208 Ca -0.02 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 4pgm n GLY 208 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4pgm s ILE 209 N -2.00 0.76 0.13 -0.61 1.01 -1.26 -3.97 121.20 115.26 4pgm s ILE 209 Ca 0.00 -0.69 -0.34 0.00 0.00 0.00 0.00 60.65 59.61 4pgm s ILE 209 Cb 0.00 -1.20 -0.14 0.00 0.01 0.00 0.00 42.46 41.13 4pgm s ILE 209 CO 0.00 -0.16 1.56 -2.65 0.00 0.00 0.00 174.94 173.68 4pgm n PRO 210 N 4.96 1.97 -3.81 2.79 -0.02 -1.26 -4.71 135.00 134.92 4pgm n PRO 210 Ca -0.10 0.71 -0.36 0.00 -2.02 0.00 0.00 63.50 61.73 4pgm n PRO 210 Cb 0.47 -2.46 -0.13 0.00 -0.02 0.00 0.00 33.50 31.36 4pgm n PRO 210 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 4pgm s LEU 211 N 1.07 3.36 0.01 2.45 0.20 0.57 -1.25 118.68 125.09 4pgm s LEU 211 Ca 0.81 -0.22 0.01 0.00 0.69 0.00 0.00 54.13 55.42 4pgm s LEU 211 Cb -0.73 -1.89 -0.04 0.00 -0.43 0.00 0.00 46.19 43.10 4pgm s LEU 211 CO 0.41 -0.02 0.03 -0.69 -0.29 0.00 0.00 176.35 175.78 4pgm s VAL 212 N 1.51 4.33 -0.07 1.68 1.01 0.74 0.61 120.40 130.19 4pgm s VAL 212 Ca 0.06 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.45 4pgm s VAL 212 Cb -0.15 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.29 4pgm s VAL 212 CO 0.02 0.34 -0.05 -0.36 0.00 0.00 0.00 175.10 175.04 4pgm s PHE 213 N -1.15 1.05 -0.48 5.22 0.40 -0.45 -1.23 117.98 121.34 4pgm s PHE 213 Ca 0.21 -0.40 -0.17 0.00 -0.60 0.00 0.00 56.93 55.97 4pgm s PHE 213 Cb -0.12 -0.93 0.06 0.00 0.51 0.00 0.00 43.02 42.55 4pgm s PHE 213 CO 0.12 -0.33 0.49 -1.21 0.70 0.00 0.00 175.22 174.99 4pgm s GLU 214 N 1.36 3.04 0.24 0.44 2.02 -1.26 -1.82 118.70 122.72 4pgm s GLU 214 Ca -0.03 -1.15 -0.03 0.00 0.02 0.00 0.00 54.97 53.77 4pgm s GLU 214 Cb -0.14 -4.11 -0.05 0.00 0.10 0.00 0.00 34.13 29.93 4pgm s GLU 214 CO -0.03 -1.10 0.48 -0.51 0.02 0.00 0.00 175.26 174.12 4pgm s LEU 215 N 2.04 4.14 0.00 1.80 1.43 0.15 -0.19 118.68 128.06 4pgm s LEU 215 Ca 0.09 0.59 0.01 0.00 -1.03 0.00 0.00 54.13 53.78 4pgm s LEU 215 Cb -0.22 -3.38 0.07 0.00 0.03 0.00 0.00 46.19 42.69 4pgm s LEU 215 CO 0.09 -0.12 0.46 -0.90 0.23 0.00 0.00 176.35 176.12 4pgm n ASP 216 N -0.74 0.69 0.28 2.29 5.68 0.17 -2.49 116.55 122.43 4pgm n ASP 216 Ca -0.03 -1.57 0.18 0.00 -0.50 0.00 0.00 54.79 52.88 4pgm n ASP 216 Cb 0.54 -0.29 0.96 0.00 -1.14 0.00 0.00 41.12 41.19 4pgm n ASP 216 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 4pgm h GLU 217 N 0.00 0.00 -0.66 0.11 4.11 -1.98 0.12 114.58 116.28 4pgm h GLU 217 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.28 4pgm h GLU 217 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 4pgm h GLU 217 CO 0.17 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.34 4pgm n ASN 218 N -3.44 3.89 -3.27 3.06 5.03 -1.26 -4.95 115.26 114.32 4pgm n ASN 218 Ca -0.01 -2.16 -0.20 0.00 0.87 0.00 0.00 54.58 53.08 4pgm n ASN 218 Cb 0.22 -0.49 0.08 0.00 -1.02 0.00 0.00 39.78 38.56 4pgm n ASN 218 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 4pgm n LEU 219 N 1.28 -3.45 -4.09 3.41 4.32 0.42 -5.02 117.00 113.86 4pgm n LEU 219 Ca 0.23 -0.51 -0.17 0.00 -0.02 0.00 0.00 56.01 55.54 4pgm n LEU 219 Cb 0.67 -2.82 -0.13 0.00 -1.62 0.00 0.00 43.42 39.52 4pgm n LEU 219 CO 0.18 0.52 -0.44 -0.54 -1.22 0.00 0.00 177.39 175.89 4pgm s LYS 220 N -5.89 0.73 -0.33 3.23 1.02 -1.26 -4.86 119.74 112.38 4pgm s LYS 220 Ca 0.37 -0.69 -0.41 0.00 0.02 0.00 0.00 55.97 55.25 4pgm s LYS 220 Cb -0.16 -0.66 -0.16 0.00 -0.52 0.00 0.00 37.83 36.32 4pgm s LYS 220 CO 0.66 0.16 1.73 -2.30 -0.92 0.00 0.00 175.35 174.68 4pgm n PRO 221 N 1.87 0.93 0.07 -1.68 -0.02 -1.26 -0.66 135.00 134.25 4pgm n PRO 221 Ca -0.19 0.34 0.12 0.00 -2.02 0.00 0.00 63.50 61.75 4pgm n PRO 221 Cb 0.55 -1.99 0.11 0.00 -0.02 0.00 0.00 33.50 32.15 4pgm n PRO 221 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 4pgm h SER 222 N 6.89 0.00 -5.13 2.55 4.64 -0.86 -3.45 113.55 118.19 4pgm h SER 222 Ca -0.46 -0.16 -0.04 0.00 -0.47 0.00 0.00 61.79 60.66 4pgm h SER 222 Cb 1.33 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.31 4pgm h SER 222 CO 0.97 0.08 -0.06 -0.54 -0.87 0.00 0.00 176.83 176.41 4pgm s LYS 223 N -3.23 1.31 0.43 4.77 1.02 -1.25 -5.05 119.74 117.74 4pgm s LYS 223 Ca 0.04 -0.93 -0.24 0.00 0.02 0.00 0.00 55.97 54.87 4pgm s LYS 223 Cb 0.12 0.48 -0.08 0.00 -0.52 0.00 0.00 37.83 37.83 4pgm s LYS 223 CO 0.75 -0.54 1.14 -2.14 -0.92 0.00 0.00 175.35 173.65 4pgm s PRO 224 N -3.89 3.93 0.72 -1.68 0.02 -1.26 -4.59 135.00 128.24 4pgm s PRO 224 Ca 0.11 1.74 -0.16 0.00 0.02 0.00 0.00 61.00 62.71 4pgm s PRO 224 Cb 0.00 -2.52 0.02 0.00 0.02 0.00 0.00 34.50 32.03 4pgm s PRO 224 CO -0.03 -0.40 1.10 -1.13 -0.33 0.00 0.00 177.00 176.21 4pgm n SER 225 N -0.23 0.97 -3.78 2.53 3.41 -1.26 -4.85 113.62 110.40 4pgm n SER 225 Ca 0.06 0.69 -0.13 0.00 -0.26 0.00 0.00 58.87 59.23 4pgm n SER 225 Cb 0.48 -1.46 -0.11 0.00 -0.26 0.00 0.00 64.21 62.86 4pgm n SER 225 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 4pgm s TYR 226 N -1.78 -0.26 0.31 7.33 1.13 -0.37 -4.97 117.35 118.74 4pgm s TYR 226 Ca 0.76 0.60 -0.14 0.00 -1.41 0.00 0.00 57.07 56.88 4pgm s TYR 226 Cb -0.34 0.09 -0.09 0.00 -1.10 0.00 0.00 41.96 40.52 4pgm s TYR 226 CO 0.48 -0.19 0.70 0.71 -2.51 0.00 0.00 175.55 174.74 4pgm s TYR 227 N -0.20 3.38 -2.00 -3.49 2.02 -1.26 -0.18 117.35 115.62 4pgm s TYR 227 Ca -0.03 1.15 0.22 0.00 -0.37 0.00 0.00 57.07 58.03 4pgm s TYR 227 Cb -0.03 -2.48 1.29 0.00 -0.40 0.00 0.00 41.96 40.34 4pgm s TYR 227 CO 0.01 0.12 1.83 1.28 -1.57 0.00 0.00 175.55 177.22 4pgm n LEU 228 N -0.35 0.00 -3.06 -1.29 4.77 -0.38 -3.76 117.00 112.93 4pgm n LEU 228 Ca 0.03 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.85 4pgm n LEU 228 Cb 0.53 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 4pgm n LEU 228 CO 0.42 0.00 -0.10 -0.67 -1.33 0.00 0.00 177.39 175.71 4pgm n ASP 229 N -0.84 -1.73 -0.16 -1.43 -0.08 -1.26 -4.96 116.55 106.09 4pgm n ASP 229 Ca 0.16 -2.73 0.08 0.00 -1.51 0.00 0.00 54.79 50.79 4pgm n ASP 229 Cb 0.07 0.54 0.39 0.00 2.34 0.00 0.00 41.12 44.46 4pgm n ASP 229 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 4pgm h PRO 230 N 4.97 0.65 0.67 -0.67 0.11 -1.98 -2.45 132.00 133.29 4pgm h PRO 230 Ca 0.11 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.15 4pgm h PRO 230 Cb 0.99 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.96 4pgm h PRO 230 CO 0.25 0.43 -0.32 0.93 -0.21 0.00 0.00 178.00 179.08 4pgm h GLU 231 N 0.67 -0.86 -0.51 1.05 3.07 -1.94 -2.10 114.58 113.95 4pgm h GLU 231 Ca 0.30 0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 59.19 4pgm h GLU 231 Cb 0.33 0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 28.41 4pgm h GLU 231 CO -0.10 -0.56 0.20 0.00 -1.40 0.00 0.00 179.01 177.14 4pgm h ALA 232 N -0.63 1.39 -0.03 3.43 0.00 -1.98 -1.21 119.26 120.24 4pgm h ALA 232 Ca -0.09 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.69 4pgm h ALA 232 Cb 0.70 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 4pgm h ALA 232 CO 0.15 0.46 0.02 0.00 0.00 0.00 0.00 179.25 179.88 4pgm h ALA 233 N 1.49 1.90 -0.03 0.00 0.00 -1.29 -3.52 119.26 117.82 4pgm h ALA 233 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 4pgm h ALA 233 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 4pgm h ALA 233 CO -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.20