#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 0.99 -0.07 -0.52 2.20 -1.26 -0.80 119.74 120.28 4pgm s LYS 2 Ca 0.00 -0.08 0.05 0.00 -0.36 0.00 0.00 55.97 55.59 4pgm s LYS 2 Cb 0.00 -1.14 -0.01 0.00 -1.51 0.00 0.00 37.83 35.17 4pgm s LYS 2 CO 0.00 -0.22 -0.23 -1.17 -0.36 0.00 0.00 175.35 173.37 4pgm s LEU 3 N 1.57 2.18 -0.17 5.43 2.96 -0.52 -1.56 118.68 128.57 4pgm s LEU 3 Ca 0.00 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 4pgm s LEU 3 Cb -0.13 -1.41 0.03 0.00 0.50 0.00 0.00 46.19 45.17 4pgm s LEU 3 CO -0.04 0.24 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.40 4pgm s VAL 4 N -0.11 1.65 0.04 1.68 1.01 0.06 -0.31 120.40 124.42 4pgm s VAL 4 Ca -0.05 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 4pgm s VAL 4 Cb -0.14 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 4pgm s VAL 4 CO 0.04 0.38 0.19 -0.76 0.00 0.00 0.00 175.10 174.95 4pgm s LEU 5 N 1.44 4.30 -0.19 3.92 2.01 0.13 -0.39 118.68 129.90 4pgm s LEU 5 Ca 0.03 0.27 -0.04 0.00 0.01 0.00 0.00 54.13 54.40 4pgm s LEU 5 Cb -0.14 -2.80 0.09 0.00 0.01 0.00 0.00 46.19 43.36 4pgm s LEU 5 CO -0.10 0.20 0.26 -0.69 1.01 0.00 0.00 176.35 177.03 4pgm s VAL 6 N -1.43 -0.40 -0.05 -1.59 1.01 -0.55 0.19 120.40 117.58 4pgm s VAL 6 Ca 0.32 0.00 -0.23 0.00 0.00 0.00 0.00 61.98 62.08 4pgm s VAL 6 Cb -0.13 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 4pgm s VAL 6 CO 0.24 -0.10 0.67 -0.60 0.00 0.00 0.00 175.10 175.31 4pgm s ARG 7 N 2.39 4.42 0.74 2.72 3.52 -1.26 -3.19 118.95 128.29 4pgm s ARG 7 Ca 0.06 0.83 -0.14 0.00 -0.13 0.00 0.00 55.73 56.36 4pgm s ARG 7 Cb -0.15 -3.42 0.05 0.00 -1.56 0.00 0.00 34.95 29.87 4pgm s ARG 7 CO -0.12 0.14 1.17 -3.38 -0.81 0.00 0.00 175.30 172.30 4pgm s HIS 8 N 0.56 2.14 0.00 5.12 -3.43 -1.23 -0.54 115.29 117.92 4pgm s HIS 8 Ca 0.35 1.61 0.00 0.00 -0.80 0.00 0.00 55.06 56.23 4pgm s HIS 8 Cb -0.18 -3.36 0.00 0.00 -1.43 0.00 0.00 32.58 27.61 4pgm s HIS 8 CO 0.18 -2.39 0.00 0.41 -2.00 0.00 0.00 174.74 170.94 4pgm n GLY 9 N 0.06 0.13 3.76 -1.38 0.00 -1.26 -4.45 105.19 102.06 4pgm n GLY 9 Ca 0.12 -1.56 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 4pgm n GLY 9 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 4pgm s GLN 10 N 0.06 4.48 0.40 1.61 0.74 -1.26 -4.86 119.66 120.83 4pgm s GLN 10 Ca 0.00 1.98 0.08 0.00 0.05 0.00 0.00 55.36 57.46 4pgm s GLN 10 Cb 0.00 -3.10 0.00 0.00 1.10 0.00 0.00 33.01 31.01 4pgm s GLN 10 CO 0.00 0.01 0.52 -1.54 -0.55 0.00 0.00 175.29 173.74 4pgm s SER 11 N -0.74 5.62 0.00 6.67 1.04 -1.26 -0.95 113.70 124.08 4pgm s SER 11 Ca 0.47 -0.43 0.23 0.00 0.48 0.00 0.00 55.95 56.70 4pgm s SER 11 Cb -0.35 -0.74 1.23 0.00 0.10 0.00 0.00 66.02 66.26 4pgm s SER 11 CO 0.46 -0.69 1.73 -1.84 0.98 0.00 0.00 173.24 173.88 4pgm n GLU 12 N -1.77 0.49 -0.06 4.02 0.28 -0.63 -2.27 120.64 120.70 4pgm n GLU 12 Ca 0.06 0.04 -0.20 0.00 -0.16 0.00 0.00 57.16 56.90 4pgm n GLU 12 Cb 0.59 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 31.83 4pgm n GLU 12 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 4pgm n TRP 13 N -1.16 0.65 -0.30 -1.84 7.02 -1.26 -3.32 117.44 117.22 4pgm n TRP 13 Ca 0.13 0.15 -0.05 0.00 -1.02 0.00 0.00 57.50 56.71 4pgm n TRP 13 Cb 0.13 -1.08 0.07 0.00 -2.42 0.00 0.00 31.31 28.01 4pgm n TRP 13 CO 0.00 0.00 0.00 -0.97 -2.02 0.00 0.00 177.69 174.70 4pgm h ASN 14 N -0.05 1.01 -0.60 -0.99 -0.73 -1.67 0.23 115.58 112.78 4pgm h ASN 14 Ca -0.50 -0.10 0.12 0.00 1.87 0.00 0.00 56.30 57.69 4pgm h ASN 14 Cb 1.93 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 40.23 4pgm h ASN 14 CO -0.02 0.82 0.41 -0.08 -0.37 0.00 0.00 177.43 178.18 4pgm h GLU 15 N 1.13 0.28 -0.45 6.67 4.81 -1.61 -0.39 114.58 125.02 4pgm h GLU 15 Ca 0.28 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 4pgm h GLU 15 Cb 0.03 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.35 4pgm h GLU 15 CO -0.05 0.19 0.00 1.63 -0.73 0.00 0.00 179.01 180.05 4pgm n LYS 16 N -4.45 3.94 -3.46 1.92 5.02 -0.64 -4.98 118.16 115.51 4pgm n LYS 16 Ca 0.10 -2.97 -0.20 0.00 -2.02 0.00 0.00 58.31 53.22 4pgm n LYS 16 Cb 0.46 -2.03 0.08 0.00 -0.02 0.00 0.00 35.03 33.52 4pgm n LYS 16 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 4pgm n ASN 17 N 0.24 -5.07 -4.31 4.39 4.05 -0.15 -4.92 115.26 109.49 4pgm n ASN 17 Ca 0.24 -0.51 -0.31 0.00 0.45 0.00 0.00 54.58 54.45 4pgm n ASN 17 Cb 1.02 -4.69 -0.16 0.00 1.23 0.00 0.00 39.78 37.18 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 -6.61 2.10 0.45 1.20 1.43 0.71 -0.16 118.68 117.80 4pgm s LEU 18 Ca 0.41 -0.46 -0.23 0.00 -1.03 0.00 0.00 54.13 52.81 4pgm s LEU 18 Cb -0.18 -1.36 -0.08 0.00 0.03 0.00 0.00 46.19 44.60 4pgm s LEU 18 CO 0.67 0.30 1.18 -0.36 0.23 0.00 0.00 176.35 178.37 4pgm s PHE 19 N -0.48 2.89 -0.05 0.29 0.08 -0.70 -3.99 117.98 116.02 4pgm s PHE 19 Ca 0.06 1.53 -0.09 0.00 0.12 0.00 0.00 56.93 58.55 4pgm s PHE 19 Cb -0.11 -3.42 -0.03 0.00 -0.57 0.00 0.00 43.02 38.89 4pgm s PHE 19 CO 0.01 -1.56 -0.17 2.41 -0.10 0.00 0.00 175.22 175.80 4pgm n THR 20 N -0.37 1.31 0.00 0.64 -1.04 -1.26 -4.44 114.28 109.12 4pgm n THR 20 Ca 0.07 0.23 0.00 0.00 -2.04 0.00 0.00 64.05 62.31 4pgm n THR 20 Cb 0.47 -1.94 0.00 0.00 -1.82 0.00 0.00 70.33 67.05 4pgm n THR 20 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 4pgm n GLY 21 N 2.46 3.44 1.00 3.41 0.00 -1.26 -1.87 105.19 112.38 4pgm n GLY 21 Ca -0.09 -0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 11.62 0.39 -2.41 1.61 7.02 -1.26 -4.61 117.44 129.81 4pgm n TRP 22 Ca 0.00 -0.20 -0.40 0.00 -1.02 0.00 0.00 57.50 55.88 4pgm n TRP 22 Cb 0.00 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 28.85 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 -1.61 3.35 -1.15 -0.99 1.01 -0.78 -4.91 120.40 115.33 4pgm s VAL 23 Ca 0.36 1.34 -0.06 0.00 0.00 0.00 0.00 61.98 63.62 4pgm s VAL 23 Cb 0.21 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.78 4pgm s VAL 23 CO 0.30 0.30 2.70 -0.67 0.00 0.00 0.00 175.10 177.73 4pgm n ASP 24 N 1.01 7.75 -4.77 3.32 2.03 -1.26 -4.96 116.55 119.67 4pgm n ASP 24 Ca -0.00 -2.95 -0.38 0.00 0.52 0.00 0.00 54.79 51.98 4pgm n ASP 24 Cb 0.45 -1.40 -0.01 0.00 -0.72 0.00 0.00 41.12 39.44 4pgm n ASP 24 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 4pgm s VAL 25 N -0.30 3.01 0.73 5.18 0.11 -1.26 -4.84 120.40 123.03 4pgm s VAL 25 Ca 0.60 0.80 -0.11 0.00 -2.93 0.00 0.00 61.98 60.34 4pgm s VAL 25 Cb 0.23 -3.42 0.03 0.00 -1.53 0.00 0.00 36.38 31.68 4pgm s VAL 25 CO -0.10 0.03 1.07 -0.75 -3.33 0.00 0.00 175.10 172.02 4pgm s LYS 26 N -2.55 2.61 0.04 1.54 2.20 -1.26 -4.10 119.74 118.23 4pgm s LYS 26 Ca 0.61 1.05 -0.23 0.00 -0.36 0.00 0.00 55.97 57.04 4pgm s LYS 26 Cb -0.31 -1.95 -0.06 0.00 -1.51 0.00 0.00 37.83 34.01 4pgm s LYS 26 CO 0.38 -1.36 0.68 -1.17 -0.36 0.00 0.00 175.35 173.53 4pgm s LEU 27 N -5.72 4.46 0.67 5.43 2.96 -1.26 -1.60 118.68 123.62 4pgm s LEU 27 Ca 0.59 1.34 -0.11 0.00 -0.22 0.00 0.00 54.13 55.74 4pgm s LEU 27 Cb -0.15 -3.09 -0.01 0.00 0.50 0.00 0.00 46.19 43.44 4pgm s LEU 27 CO 0.55 0.10 1.06 -0.94 -1.32 0.00 0.00 176.35 175.80 4pgm s SER 28 N -0.33 5.72 0.56 3.68 1.04 -0.13 -4.68 113.70 119.56 4pgm s SER 28 Ca 0.34 1.37 0.29 0.00 0.48 0.00 0.00 55.95 58.43 4pgm s SER 28 Cb -0.20 -2.29 1.47 0.00 0.10 0.00 0.00 66.02 65.10 4pgm s SER 28 CO 0.21 -1.19 1.92 0.00 0.98 0.00 0.00 173.24 175.16 4pgm h ALA 29 N -0.54 2.40 -0.09 5.32 0.00 -1.96 0.41 119.26 124.80 4pgm h ALA 29 Ca -0.44 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.23 4pgm h ALA 29 Cb 1.22 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.06 4pgm h ALA 29 CO 0.61 -0.79 -0.83 0.87 0.00 0.00 0.00 179.25 179.12 4pgm h LYS 30 N 0.00 0.62 -0.31 0.00 1.57 -1.91 -2.92 116.57 113.62 4pgm h LYS 30 Ca 0.27 -0.55 -0.05 0.00 -1.87 0.00 0.00 60.65 58.45 4pgm h LYS 30 Cb 1.25 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 4pgm h LYS 30 CO -0.00 1.17 -0.00 0.78 -0.57 0.00 0.00 179.45 180.82 4pgm h GLY 31 N 0.84 0.58 0.66 3.86 0.00 -0.31 -2.49 103.07 106.21 4pgm h GLY 31 Ca -0.06 -0.43 0.15 0.00 0.00 0.00 0.00 47.33 46.99 4pgm h GLY 31 CO 0.16 0.40 0.51 1.46 0.00 0.00 0.00 176.54 179.07 4pgm h GLN 32 N 0.34 0.42 -0.11 4.80 4.20 -1.21 -0.74 115.11 122.81 4pgm h GLN 32 Ca 0.09 -0.03 -0.21 0.00 0.06 0.00 0.00 58.65 58.57 4pgm h GLN 32 Cb 0.44 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.14 4pgm h GLN 32 CO 0.02 0.28 -0.74 1.96 -0.67 0.00 0.00 178.83 179.68 4pgm h GLN 33 N 0.43 0.69 -0.40 1.46 4.20 -1.29 -2.72 115.11 117.48 4pgm h GLN 33 Ca 0.38 -0.60 -0.02 0.00 0.06 0.00 0.00 58.65 58.47 4pgm h GLN 33 Cb 0.86 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 4pgm h GLN 33 CO -0.13 1.21 0.17 0.93 -0.67 0.00 0.00 178.83 180.34 4pgm h GLU 34 N 0.36 0.56 -0.22 1.46 5.08 -0.79 -1.01 114.58 120.03 4pgm h GLU 34 Ca -0.06 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 4pgm h GLU 34 Cb 1.38 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 4pgm h GLU 34 CO 0.15 0.46 -0.07 0.00 -1.00 0.00 0.00 179.01 178.55 4pgm h ALA 35 N 1.63 0.30 -0.41 3.43 0.00 -1.12 0.21 119.26 123.29 4pgm h ALA 35 Ca 0.14 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.81 4pgm h ALA 35 Cb 0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 4pgm h ALA 35 CO -0.02 0.11 0.28 0.00 0.00 0.00 0.00 179.25 179.62 4pgm h ALA 36 N 0.73 1.81 -0.37 0.00 0.00 -1.09 0.15 119.26 120.49 4pgm h ALA 36 Ca 0.05 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 4pgm h ALA 36 Cb 0.54 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 4pgm h ALA 36 CO 0.03 0.15 -0.33 -0.09 0.00 0.00 0.00 179.25 179.00 4pgm h ARG 37 N 0.47 0.87 -0.71 0.00 9.65 -0.76 -0.44 114.38 123.46 4pgm h ARG 37 Ca 0.17 -0.44 -0.02 0.00 -1.10 0.00 0.00 59.98 58.58 4pgm h ARG 37 Cb 0.09 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.64 4pgm h ARG 37 CO -0.04 1.09 0.37 0.00 2.80 0.00 0.00 179.97 184.19 4pgm h ALA 38 N 0.76 0.91 -0.35 2.80 0.00 0.14 0.17 119.26 123.69 4pgm h ALA 38 Ca 0.06 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 4pgm h ALA 38 Cb 0.91 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 4pgm h ALA 38 CO 0.08 0.45 -0.15 0.78 0.00 0.00 0.00 179.25 180.41 4pgm h GLY 39 N 0.99 0.68 0.98 0.00 0.00 -0.61 -1.57 103.07 103.54 4pgm h GLY 39 Ca 0.25 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 4pgm h GLY 39 CO -0.04 0.47 -0.00 -2.09 0.00 0.00 0.00 176.54 174.88 4pgm h GLU 40 N 0.57 0.80 -0.59 4.80 4.57 -0.27 -1.61 114.58 122.84 4pgm h GLU 40 Ca 0.10 -0.26 -0.03 0.00 -1.18 0.00 0.00 59.36 57.99 4pgm h GLU 40 Cb 0.59 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.08 4pgm h GLU 40 CO 0.04 0.86 0.27 -0.07 -1.18 0.00 0.00 179.01 178.93 4pgm h LEU 41 N 0.64 0.79 -0.10 1.64 -0.00 -0.80 0.19 115.31 117.69 4pgm h LEU 41 Ca 0.13 -0.15 0.04 0.00 -0.00 0.00 0.00 57.88 57.90 4pgm h LEU 41 Cb 0.50 -0.20 -0.04 0.00 -0.00 0.00 0.00 40.66 40.92 4pgm h LEU 41 CO 0.02 0.72 -0.16 -0.07 -0.00 0.00 0.00 178.44 178.96 4pgm h LEU 42 N 0.82 -0.48 -0.07 1.67 4.07 -1.05 0.04 115.31 120.31 4pgm h LEU 42 Ca 0.20 0.08 -0.01 0.00 0.08 0.00 0.00 57.88 58.24 4pgm h LEU 42 Cb 0.15 0.22 -0.00 0.00 1.08 0.00 0.00 40.66 42.11 4pgm h LEU 42 CO -0.02 -0.21 0.01 0.50 -1.08 0.00 0.00 178.44 177.64 4pgm h LYS 43 N -0.21 0.12 -0.75 1.13 3.64 -0.99 0.51 116.57 120.00 4pgm h LYS 43 Ca 0.08 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 4pgm h LYS 43 Cb 0.33 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 4pgm h LYS 43 CO -0.22 0.36 0.48 1.49 -2.27 0.00 0.00 179.45 179.29 4pgm h GLU 44 N -0.14 0.93 -0.01 1.90 4.81 -0.49 -2.62 114.58 118.96 4pgm h GLU 44 Ca 0.02 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 4pgm h GLU 44 Cb 0.30 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.47 4pgm h GLU 44 CO 0.00 0.62 -0.18 1.63 -0.73 0.00 0.00 179.01 180.35 4pgm n LYS 45 N -4.61 0.86 -2.66 1.92 4.76 -0.01 -4.97 118.16 113.45 4pgm n LYS 45 Ca 0.08 -0.43 -0.07 0.00 -2.87 0.00 0.00 58.31 55.02 4pgm n LYS 45 Cb 0.07 -1.49 0.03 0.00 -1.84 0.00 0.00 35.03 31.80 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 -0.69 -2.65 -3.42 1.97 5.02 -0.79 -5.02 118.16 112.58 4pgm n LYS 46 Ca 0.14 0.31 -0.44 0.00 -2.02 0.00 0.00 58.31 56.30 4pgm n LYS 46 Cb 0.32 -3.76 -0.06 0.00 -0.02 0.00 0.00 35.03 31.51 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 -3.13 4.80 -0.81 -0.18 1.01 0.10 -5.02 120.40 117.19 4pgm s VAL 47 Ca 0.07 -1.78 -0.14 0.00 0.00 0.00 0.00 61.98 60.13 4pgm s VAL 47 Cb -0.03 -4.10 0.21 0.00 0.00 0.00 0.00 36.38 32.46 4pgm s VAL 47 CO 0.27 -0.85 0.76 -0.31 0.00 0.00 0.00 175.10 174.97 4pgm s TYR 48 N 1.27 3.69 0.47 5.22 2.02 -1.26 -4.59 117.35 124.17 4pgm s TYR 48 Ca 0.06 -1.90 -0.24 0.00 -0.37 0.00 0.00 57.07 54.62 4pgm s TYR 48 Cb -0.26 -3.84 -0.07 0.00 -0.40 0.00 0.00 41.96 37.39 4pgm s TYR 48 CO -0.00 -1.02 1.33 -1.25 -1.57 0.00 0.00 175.55 173.05 4pgm s PRO 49 N 0.41 3.59 -0.16 -1.71 0.04 -1.26 -4.74 135.00 131.17 4pgm s PRO 49 Ca 0.17 2.20 0.16 0.00 0.04 0.00 0.00 61.00 63.57 4pgm s PRO 49 Cb -0.12 -2.51 -0.22 0.00 0.04 0.00 0.00 34.50 31.69 4pgm s PRO 49 CO -0.08 -0.82 0.08 -0.25 0.04 0.00 0.00 177.00 175.98 4pgm n ASP 50 N -0.43 0.70 -4.04 6.66 8.00 0.52 -4.95 116.55 123.00 4pgm n ASP 50 Ca 0.07 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.46 4pgm n ASP 50 Cb 0.44 0.99 -0.11 0.00 -0.02 0.00 0.00 41.12 42.42 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 -2.48 0.33 -0.08 2.53 1.01 -0.97 -4.09 120.40 116.65 4pgm s VAL 51 Ca -0.08 -1.19 0.05 0.00 0.00 0.00 0.00 61.98 60.76 4pgm s VAL 51 Cb 0.06 -0.68 -0.00 0.00 0.00 0.00 0.00 36.38 35.75 4pgm s VAL 51 CO 0.72 -0.56 -0.24 -0.22 0.00 0.00 0.00 175.10 174.80 4pgm s LEU 52 N -1.84 2.10 -0.05 3.92 2.96 -0.25 -1.57 118.68 123.94 4pgm s LEU 52 Ca -0.08 -0.53 0.07 0.00 -0.22 0.00 0.00 54.13 53.36 4pgm s LEU 52 Cb -0.06 -1.40 -0.01 0.00 0.50 0.00 0.00 46.19 45.22 4pgm s LEU 52 CO -0.02 0.20 -0.25 -0.31 -1.32 0.00 0.00 176.35 174.65 4pgm s TYR 53 N 0.12 2.42 0.27 5.38 2.02 0.80 -0.71 117.35 127.64 4pgm s TYR 53 Ca -0.12 -0.63 0.01 0.00 -0.37 0.00 0.00 57.07 55.96 4pgm s TYR 53 Cb -0.16 -1.57 -0.03 0.00 -0.40 0.00 0.00 41.96 39.79 4pgm s TYR 53 CO 0.07 -0.16 0.25 0.95 -1.57 0.00 0.00 175.55 175.09 4pgm s THR 54 N -0.29 0.00 0.00 -0.71 -4.23 -0.44 -0.07 115.64 109.89 4pgm s THR 54 Ca 0.00 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 4pgm s THR 54 Cb -0.13 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.22 4pgm s THR 54 CO 0.02 0.00 0.00 -1.54 -0.54 0.00 0.00 174.62 172.56 4pgm n SER 55 N -0.91 0.00 -1.45 3.99 3.41 -1.15 -1.79 113.62 115.72 4pgm n SER 55 Ca 0.04 -0.44 0.11 0.00 -0.26 0.00 0.00 58.87 58.33 4pgm n SER 55 Cb 0.64 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.93 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 -0.44 3.05 -3.71 4.33 4.76 -1.24 -4.29 118.16 120.63 4pgm n LYS 56 Ca 0.00 -2.75 -0.36 0.00 -2.87 0.00 0.00 58.31 52.32 4pgm n LYS 56 Cb 0.00 -1.68 -0.10 0.00 -1.84 0.00 0.00 35.03 31.41 4pgm n LYS 56 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 4pgm s LEU 57 N -1.26 3.98 0.32 -0.35 1.43 -1.26 -5.00 118.68 116.54 4pgm s LEU 57 Ca 0.50 0.05 0.09 0.00 -1.03 0.00 0.00 54.13 53.75 4pgm s LEU 57 Cb 0.28 -2.07 0.89 0.00 0.03 0.00 0.00 46.19 45.32 4pgm s LEU 57 CO 0.31 0.05 1.72 0.28 0.23 0.00 0.00 176.35 178.94 4pgm h SER 58 N 7.60 0.61 -0.20 2.29 0.02 -1.88 -1.74 113.55 120.25 4pgm h SER 58 Ca -0.37 0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 4pgm h SER 58 Cb 1.17 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 4pgm h SER 58 CO 0.64 0.06 0.12 0.08 -1.14 0.00 0.00 176.83 176.59 4pgm h ARG 59 N 0.53 0.29 0.07 3.45 0.11 -1.92 0.64 114.38 117.55 4pgm h ARG 59 Ca 0.64 -0.02 -0.22 0.00 0.10 0.00 0.00 59.98 60.48 4pgm h ARG 59 Cb 1.25 -0.06 0.02 0.00 1.11 0.00 0.00 29.97 32.29 4pgm h ARG 59 CO -0.50 0.21 -0.90 0.00 0.10 0.00 0.00 179.97 178.88 4pgm h ALA 60 N 1.84 0.01 0.14 0.08 0.00 -1.66 -2.59 119.26 117.09 4pgm h ALA 60 Ca 0.08 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 4pgm h ALA 60 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 4pgm h ALA 60 CO -0.01 0.50 -0.07 0.82 0.00 0.00 0.00 179.25 180.48 4pgm h ILE 61 N 0.01 0.85 -0.62 0.00 2.04 -0.67 -2.27 117.51 116.84 4pgm h ILE 61 Ca -0.13 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.79 4pgm h ILE 61 Cb 1.62 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 38.50 4pgm h ILE 61 CO 0.17 0.00 0.32 1.56 0.00 0.00 0.00 178.15 180.20 4pgm h GLN 62 N -0.19 0.57 -0.16 2.37 4.20 0.13 0.24 115.11 122.27 4pgm h GLN 62 Ca -0.02 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.71 4pgm h GLN 62 Cb 0.15 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 27.74 4pgm h GLN 62 CO 0.03 0.38 -0.23 1.15 -0.67 0.00 0.00 178.83 179.49 4pgm h THR 63 N 0.58 0.44 -0.48 -0.54 2.02 -1.10 0.78 112.91 114.61 4pgm h THR 63 Ca 0.29 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.46 4pgm h THR 63 Cb 0.23 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 4pgm h THR 63 CO -0.21 0.00 0.25 0.00 0.37 0.00 0.00 175.52 175.94 4pgm h ALA 64 N 0.72 0.61 -0.77 6.16 0.00 -0.88 0.37 119.26 125.47 4pgm h ALA 64 Ca 0.11 -0.10 0.16 0.00 0.00 0.00 0.00 54.91 55.08 4pgm h ALA 64 Cb 0.44 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 4pgm h ALA 64 CO -0.32 0.15 0.51 -0.91 0.00 0.00 0.00 179.25 178.68 4pgm h ASN 65 N 0.63 0.37 0.07 0.00 -0.26 0.39 1.00 115.58 117.77 4pgm h ASN 65 Ca 0.17 0.02 -0.32 0.00 -0.56 0.00 0.00 56.30 55.61 4pgm h ASN 65 Cb 0.07 -0.05 -0.03 0.00 -1.06 0.00 0.00 38.32 37.25 4pgm h ASN 65 CO -0.03 0.19 -1.74 -0.38 -1.06 0.00 0.00 177.43 174.41 4pgm n ILE 66 N -4.47 1.67 -0.07 2.81 5.41 0.18 -3.40 119.36 121.49 4pgm n ILE 66 Ca 0.15 -0.39 -0.07 0.00 1.00 0.00 0.00 62.75 63.43 4pgm n ILE 66 Cb 0.56 -1.85 -0.01 0.00 -0.71 0.00 0.00 39.64 37.63 4pgm n ILE 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 4pgm h ALA 67 N -0.20 0.26 -0.60 -1.39 0.00 -0.02 -2.15 119.26 115.16 4pgm h ALA 67 Ca -0.41 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 4pgm h ALA 67 Cb 1.73 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.60 4pgm h ALA 67 CO -0.06 -0.39 0.21 -0.07 0.00 0.00 0.00 179.25 178.94 4pgm h LEU 68 N 0.11 0.83 -0.76 0.00 4.07 -0.99 -0.98 115.31 117.58 4pgm h LEU 68 Ca 0.13 -0.12 0.01 0.00 0.08 0.00 0.00 57.88 57.98 4pgm h LEU 68 Cb 0.16 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 41.65 4pgm h LEU 68 CO -0.20 0.76 0.50 -0.08 -1.08 0.00 0.00 178.44 178.34 4pgm h GLU 69 N 0.88 0.99 0.00 1.13 4.22 -1.42 0.32 114.58 120.70 4pgm h GLU 69 Ca 0.20 -0.06 -0.08 0.00 0.08 0.00 0.00 59.36 59.50 4pgm h GLU 69 Cb 0.22 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 4pgm h GLU 69 CO -0.01 0.66 -0.38 0.87 -2.18 0.00 0.00 179.01 177.96 4pgm h LYS 70 N 1.02 0.00 -0.00 1.92 1.79 -1.16 -2.78 116.57 117.36 4pgm h LYS 70 Ca 0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 4pgm h LYS 70 Cb -0.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.54 4pgm h LYS 70 CO -0.07 0.38 -0.26 0.00 -1.08 0.00 0.00 179.45 178.43 4pgm n ALA 71 N -2.25 3.04 -3.54 3.86 0.00 -0.40 -4.66 120.51 116.56 4pgm n ALA 71 Ca 0.01 -0.30 -0.22 0.00 0.00 0.00 0.00 53.44 52.93 4pgm n ALA 71 Cb 0.58 -1.24 0.08 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.17 -5.22 -2.78 0.00 8.00 0.03 -4.84 116.55 110.58 4pgm n ASP 72 Ca 0.10 -0.55 -0.02 0.00 0.71 0.00 0.00 54.79 55.02 4pgm n ASP 72 Cb 0.32 -5.01 0.05 0.00 -0.02 0.00 0.00 41.12 36.46 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 -4.74 1.83 0.00 -1.24 1.74 -0.74 -4.88 116.66 108.64 4pgm n ARG 73 Ca -0.07 -3.54 0.11 0.00 -0.77 0.00 0.00 57.85 53.58 4pgm n ARG 73 Cb 0.59 -1.64 0.55 0.00 -1.02 0.00 0.00 32.46 30.94 4pgm n ARG 73 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 4pgm n LEU 74 N -0.58 0.00 0.14 0.55 7.94 -1.24 -2.81 117.00 120.99 4pgm n LEU 74 Ca 0.10 0.35 0.12 0.00 -1.11 0.00 0.00 56.01 55.46 4pgm n LEU 74 Cb 0.81 -0.35 0.14 0.00 0.53 0.00 0.00 43.42 44.56 4pgm n LEU 74 CO 0.10 -0.08 0.47 4.11 -1.11 0.00 0.00 177.39 180.87 4pgm h TRP 75 N 0.00 0.00 -2.53 1.96 5.08 -1.93 -3.47 115.95 115.05 4pgm h TRP 75 Ca 0.00 0.00 -0.60 0.00 1.08 0.00 0.00 58.89 59.37 4pgm h TRP 75 Cb 0.27 0.00 0.12 0.00 -3.00 0.00 0.00 29.16 26.55 4pgm h TRP 75 CO 0.00 0.00 0.02 -0.89 -1.28 0.00 0.00 178.44 176.29 4pgm n ILE 76 N -2.66 2.08 -1.97 0.12 -0.00 -1.12 -4.91 119.36 110.89 4pgm n ILE 76 Ca 0.03 -0.50 -0.41 0.00 -0.00 0.00 0.00 62.75 61.87 4pgm n ILE 76 Cb 0.51 -0.92 -0.02 0.00 -0.00 0.00 0.00 39.64 39.21 4pgm n ILE 76 CO 0.00 0.00 0.00 -2.84 -0.00 0.00 0.00 176.55 173.71 4pgm s PRO 77 N -1.66 4.25 -0.14 0.38 0.02 -1.26 -4.84 135.00 131.75 4pgm s PRO 77 Ca 0.61 2.36 -0.03 0.00 0.02 0.00 0.00 61.00 63.95 4pgm s PRO 77 Cb -0.66 -3.07 -0.03 0.00 0.02 0.00 0.00 34.50 30.76 4pgm s PRO 77 CO 0.59 -0.42 -0.03 0.08 -0.33 0.00 0.00 177.00 176.89 4pgm s VAL 78 N -0.35 4.01 -0.05 3.83 1.01 -1.26 -1.09 120.40 126.50 4pgm s VAL 78 Ca 0.57 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.25 4pgm s VAL 78 Cb -0.43 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 33.22 4pgm s VAL 78 CO 0.48 0.51 -0.10 0.20 0.00 0.00 0.00 175.10 176.20 4pgm s ASN 79 N 0.10 1.44 0.16 3.32 -0.87 0.11 -4.99 114.94 114.20 4pgm s ASN 79 Ca 0.00 -0.23 0.09 0.00 -1.57 0.00 0.00 52.86 51.15 4pgm s ASN 79 Cb -0.13 -0.58 -0.04 0.00 -0.02 0.00 0.00 41.25 40.48 4pgm s ASN 79 CO 0.02 0.03 -0.20 -0.13 -2.57 0.00 0.00 177.10 174.25 4pgm s ARG 80 N 0.54 1.30 -0.23 -0.60 0.52 -1.26 -1.33 118.95 117.88 4pgm s ARG 80 Ca -0.10 -1.38 -0.21 0.00 -0.52 0.00 0.00 55.73 53.52 4pgm s ARG 80 Cb -0.13 -1.46 0.06 0.00 0.52 0.00 0.00 34.95 33.94 4pgm s ARG 80 CO 0.02 0.31 0.62 0.45 0.02 0.00 0.00 175.30 176.72 4pgm s SER 81 N -2.50 -0.66 0.35 0.23 0.15 -0.74 -4.96 113.70 105.57 4pgm s SER 81 Ca 0.15 1.25 0.03 0.00 0.70 0.00 0.00 55.95 58.08 4pgm s SER 81 Cb -0.07 1.25 0.65 0.00 -1.71 0.00 0.00 66.02 66.14 4pgm s SER 81 CO 0.07 -0.22 1.98 4.11 1.20 0.00 0.00 173.24 180.39 4pgm h TRP 82 N 5.35 0.72 0.00 3.44 5.08 -1.90 -2.34 115.95 126.30 4pgm h TRP 82 Ca -0.29 -0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.68 4pgm h TRP 82 Cb 1.17 -0.23 0.00 0.00 -3.00 0.00 0.00 29.16 27.10 4pgm h TRP 82 CO 0.37 0.50 0.24 0.54 -1.28 0.00 0.00 178.44 178.80 4pgm n ARG 83 N -4.41 0.05 -0.05 0.12 1.74 -1.26 0.04 116.66 112.90 4pgm n ARG 83 Ca 0.05 0.46 0.09 0.00 -0.77 0.00 0.00 57.85 57.68 4pgm n ARG 83 Cb 0.09 -1.91 0.11 0.00 -1.02 0.00 0.00 32.46 29.72 4pgm n ARG 83 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 4pgm n LEU 84 N -1.75 2.69 -4.74 0.55 4.77 -0.88 -4.15 117.00 113.48 4pgm n LEU 84 Ca -0.01 -1.18 -0.34 0.00 -0.03 0.00 0.00 56.01 54.45 4pgm n LEU 84 Cb 0.25 -0.07 0.06 0.00 -2.33 0.00 0.00 43.42 41.34 4pgm n LEU 84 CO 0.04 0.52 0.80 0.20 -1.33 0.00 0.00 177.39 177.61 4pgm s ASN 85 N -1.42 4.72 0.87 -1.43 -0.87 0.11 -4.20 114.94 112.72 4pgm s ASN 85 Ca 0.24 2.28 -0.12 0.00 -1.57 0.00 0.00 52.86 53.69 4pgm s ASN 85 Cb 0.16 -2.58 0.11 0.00 -0.02 0.00 0.00 41.25 38.92 4pgm s ASN 85 CO 0.23 -1.90 1.16 1.21 -2.57 0.00 0.00 177.10 175.23 4pgm n GLU 86 N -2.30 -0.15 -1.73 -0.60 4.07 -1.26 -4.65 120.64 114.02 4pgm n GLU 86 Ca 0.13 0.03 -0.41 0.00 -0.06 0.00 0.00 57.16 56.85 4pgm n GLU 86 Cb 0.50 -2.39 0.01 0.00 -0.06 0.00 0.00 31.44 29.50 4pgm n GLU 86 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 4pgm n ARG 87 N -3.72 2.18 -2.69 5.31 0.00 -1.26 -4.69 116.66 111.79 4pgm n ARG 87 Ca 0.13 0.77 -0.43 0.00 -0.00 0.00 0.00 57.85 58.32 4pgm n ARG 87 Cb 0.51 -2.49 -0.02 0.00 0.00 0.00 0.00 32.46 30.46 4pgm n ARG 87 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 4pgm s HIS 88 N -1.16 3.27 -2.00 -0.14 5.65 -1.26 -4.20 115.29 115.45 4pgm s HIS 88 Ca 0.59 1.33 0.23 0.00 0.25 0.00 0.00 55.06 57.45 4pgm s HIS 88 Cb -0.50 -3.37 1.39 0.00 -1.18 0.00 0.00 32.58 28.92 4pgm s HIS 88 CO 0.60 -0.56 1.85 0.66 -0.65 0.00 0.00 174.74 176.64 4pgm n TYR 89 N 6.45 0.00 -0.51 3.88 4.01 -1.26 -1.01 117.16 128.72 4pgm n TYR 89 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 4pgm n TYR 89 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 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 0.78 3.14 0.26 2.72 0.00 -1.24 -2.20 105.19 108.65 4pgm n GLY 90 Ca 0.17 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 46.12 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 1.04 0.00 0.29 1.61 3.58 -0.61 -2.67 116.42 119.66 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 0.13 0.00 0.18 -2.88 0.00 0.00 179.24 176.67 4pgm n LEU 92 N -3.57 0.00 0.35 2.28 4.32 -0.94 -4.33 117.00 115.11 4pgm n LEU 92 Ca -0.01 0.22 -0.18 0.00 -0.02 0.00 0.00 56.01 56.01 4pgm n LEU 92 Cb 0.27 -0.22 -0.09 0.00 -1.62 0.00 0.00 43.42 41.76 4pgm n LEU 92 CO 0.30 -0.07 0.60 1.56 -1.22 0.00 0.00 177.39 178.57 4pgm h GLN 93 N 0.00 -0.93 -2.23 3.23 4.20 -1.61 -2.71 115.11 115.06 4pgm h GLN 93 Ca 0.00 0.06 -0.61 0.00 0.06 0.00 0.00 58.65 58.17 4pgm h GLN 93 Cb 0.15 0.21 -0.16 0.00 0.30 0.00 0.00 27.48 27.97 4pgm h GLN 93 CO 0.00 -0.62 1.16 0.41 -0.67 0.00 0.00 178.83 179.11 4pgm n GLY 94 N -1.53 4.76 3.07 3.46 0.00 -1.26 -3.83 105.19 109.87 4pgm n GLY 94 Ca -0.13 -1.99 -0.25 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.68 1.62 0.20 1.61 1.02 -1.02 -5.00 119.74 116.49 4pgm s LYS 95 Ca 0.56 -0.49 -0.31 0.00 0.02 0.00 0.00 55.97 55.75 4pgm s LYS 95 Cb 0.31 -1.39 -0.10 0.00 -0.52 0.00 0.00 37.83 36.13 4pgm s LYS 95 CO -0.18 0.15 1.55 0.34 -0.92 0.00 0.00 175.35 176.28 4pgm s ASP 96 N 0.27 6.57 0.03 2.83 -1.08 -1.26 -1.73 116.67 122.31 4pgm s ASP 96 Ca -0.07 2.68 -0.25 0.00 -0.52 0.00 0.00 52.55 54.38 4pgm s ASP 96 Cb -0.12 -2.61 -0.18 0.00 -1.46 0.00 0.00 42.92 38.55 4pgm s ASP 96 CO 0.02 -0.81 1.46 0.11 0.52 0.00 0.00 175.17 176.47 4pgm h LYS 97 N 6.15 -0.10 -0.57 4.34 1.57 -0.91 -2.64 116.57 124.41 4pgm h LYS 97 Ca -0.44 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.47 4pgm h LYS 97 Cb 1.21 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.51 4pgm h LYS 97 CO 0.87 0.16 0.39 0.00 -0.57 0.00 0.00 179.45 180.30 4pgm h ALA 98 N 0.53 2.25 -0.10 3.86 0.00 -1.92 -0.54 119.26 123.34 4pgm h ALA 98 Ca -0.01 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 4pgm h ALA 98 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 4pgm h ALA 98 CO 0.02 -0.39 -0.33 0.93 0.00 0.00 0.00 179.25 179.48 4pgm h GLU 99 N 0.21 0.40 0.00 0.00 5.08 -1.92 -2.97 114.58 115.37 4pgm h GLU 99 Ca 0.27 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 4pgm h GLU 99 Cb 0.78 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.08 4pgm h GLU 99 CO -0.05 0.92 0.00 1.79 -1.00 0.00 0.00 179.01 180.67 4pgm h THR 100 N -0.05 0.00 -0.01 1.13 1.35 -0.88 0.43 112.91 114.89 4pgm h THR 100 Ca -0.01 -0.49 -0.16 0.00 -0.55 0.00 0.00 66.41 65.19 4pgm h THR 100 Cb 0.95 1.44 -0.02 0.00 -1.73 0.00 0.00 68.15 68.80 4pgm h THR 100 CO 0.07 0.00 -0.75 0.25 -0.25 0.00 0.00 175.52 174.84 4pgm h LEU 101 N 0.00 0.11 0.00 3.87 5.85 -1.15 -1.40 115.31 122.59 4pgm h LEU 101 Ca 0.00 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 4pgm h LEU 101 Cb 0.52 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 4pgm h LEU 101 CO 0.00 0.82 -0.39 0.11 -0.34 0.00 0.00 178.44 178.64 4pgm h LYS 102 N 0.05 0.00 -0.50 1.25 1.57 -1.18 -3.38 116.57 114.40 4pgm h LYS 102 Ca -0.02 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.85 4pgm h LYS 102 Cb 1.33 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.54 4pgm h LYS 102 CO 0.11 0.62 -0.41 -0.22 -0.57 0.00 0.00 179.45 178.98 4pgm h LYS 103 N -1.00 -0.25 -5.40 3.15 3.64 -0.25 -3.37 116.57 113.08 4pgm h LYS 103 Ca -0.09 0.02 -0.63 0.00 -1.27 0.00 0.00 60.65 58.68 4pgm h LYS 103 Cb 0.77 0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 32.53 4pgm h LYS 103 CO -0.05 -0.17 -0.52 -0.06 -2.27 0.00 0.00 179.45 176.38 4pgm s PHE 104 N -5.88 3.39 0.27 1.91 0.08 -0.53 -5.07 117.98 112.15 4pgm s PHE 104 Ca -0.14 0.30 -0.20 0.00 0.12 0.00 0.00 56.93 57.00 4pgm s PHE 104 Cb 0.13 -2.06 -0.09 0.00 -0.57 0.00 0.00 43.02 40.43 4pgm s PHE 104 CO 0.66 0.37 0.78 0.20 -0.10 0.00 0.00 175.22 177.13 4pgm s GLY 105 N -0.04 2.59 0.00 4.36 0.00 -1.26 -4.40 107.32 108.57 4pgm s GLY 105 Ca 0.09 0.22 0.00 0.00 0.00 0.00 0.00 44.72 45.03 4pgm s GLY 105 CO 0.00 0.57 0.00 1.18 0.00 0.00 0.00 173.10 174.85 4pgm n GLU 106 N 0.45 0.00 -0.28 2.90 -0.58 -1.26 0.35 120.64 122.23 4pgm n GLU 106 Ca -0.00 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.77 4pgm n GLU 106 Cb 0.51 0.00 0.11 0.00 -0.57 0.00 0.00 31.44 31.49 4pgm n GLU 106 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 4pgm h GLU 107 N 0.00 0.01 0.07 3.49 4.81 -1.99 0.38 114.58 121.34 4pgm h GLU 107 Ca 0.00 -0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 4pgm h GLU 107 Cb 0.00 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 4pgm h GLU 107 CO 0.00 0.00 -1.07 0.87 -0.73 0.00 0.00 179.01 178.08 4pgm h LYS 108 N 0.01 0.15 0.69 1.92 1.79 -0.42 -3.32 116.57 117.38 4pgm h LYS 108 Ca 0.39 -0.25 -0.03 0.00 -2.18 0.00 0.00 60.65 58.58 4pgm h LYS 108 Cb 0.60 0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.34 4pgm h LYS 108 CO -0.81 1.12 -0.43 0.35 -1.08 0.00 0.00 179.45 178.61 4pgm h PHE 109 N -0.59 -1.14 -0.56 -1.35 3.57 -1.50 -2.30 116.94 113.06 4pgm h PHE 109 Ca -0.25 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.24 4pgm h PHE 109 Cb 1.51 0.41 -0.03 0.00 2.79 0.00 0.00 35.95 40.63 4pgm h PHE 109 CO 0.15 -0.64 0.34 -0.97 -2.23 0.00 0.00 178.31 174.96 4pgm h ASN 110 N -1.05 0.67 0.28 0.41 -0.73 -1.16 -2.87 115.58 111.13 4pgm h ASN 110 Ca -0.09 -0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.04 4pgm h ASN 110 Cb 0.85 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 39.28 4pgm h ASN 110 CO 0.08 0.51 -0.14 0.71 -0.37 0.00 0.00 177.43 178.23 4pgm h THR 111 N 0.77 0.75 -0.93 -3.57 1.35 -1.64 -0.68 112.91 108.97 4pgm h THR 111 Ca 0.20 -0.56 0.22 0.00 -0.55 0.00 0.00 66.41 65.73 4pgm h THR 111 Cb -0.03 1.05 -0.07 0.00 -1.73 0.00 0.00 68.15 67.37 4pgm h THR 111 CO -0.04 0.11 0.62 1.88 -0.25 0.00 0.00 175.52 177.84 4pgm h TYR 112 N -0.69 0.47 0.22 4.73 0.05 -1.38 0.60 116.97 120.97 4pgm h TYR 112 Ca -0.04 0.01 -0.32 0.00 0.05 0.00 0.00 58.73 58.43 4pgm h TYR 112 Cb 0.48 -0.14 0.03 0.00 1.01 0.00 0.00 36.73 38.11 4pgm h TYR 112 CO 0.02 0.11 -1.41 0.00 -1.05 0.00 0.00 178.16 175.82 4pgm h ARG 113 N 0.34 0.55 0.00 4.88 3.08 -1.32 -3.42 114.38 118.48 4pgm h ARG 113 Ca 0.48 -0.88 0.00 0.00 0.07 0.00 0.00 59.98 59.66 4pgm h ARG 113 Cb 1.32 0.32 0.00 0.00 0.08 0.00 0.00 29.97 31.69 4pgm h ARG 113 CO -0.17 1.41 0.00 0.54 -1.07 0.00 0.00 179.97 180.69 4pgm n ARG 114 N -3.72 0.68 -2.22 0.04 5.12 -0.28 -5.04 116.66 111.23 4pgm n ARG 114 Ca -0.15 -0.70 -0.40 0.00 -1.93 0.00 0.00 57.85 54.67 4pgm n ARG 114 Cb 1.07 -0.76 -0.02 0.00 -1.16 0.00 0.00 32.46 31.59 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 -0.30 6.76 -0.10 0.55 0.15 0.20 -4.72 113.70 116.24 4pgm s SER 115 Ca 0.00 2.52 -0.04 0.00 0.70 0.00 0.00 55.95 59.13 4pgm s SER 115 Cb 0.00 -2.63 -0.26 0.00 -1.71 0.00 0.00 66.02 61.41 4pgm s SER 115 CO 0.00 -0.53 0.45 0.15 1.20 0.00 0.00 173.24 174.51 4pgm h PHE 116 N 3.21 0.42 0.00 3.44 3.04 -1.87 -3.38 116.94 121.79 4pgm h PHE 116 Ca -0.48 -0.31 -0.21 0.00 3.98 0.00 0.00 57.97 60.95 4pgm h PHE 116 Cb 1.23 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 39.68 4pgm h PHE 116 CO 0.56 1.64 -1.75 -3.47 -2.02 0.00 0.00 178.31 173.27 4pgm n ASP 117 N -3.42 0.54 -4.37 0.41 -0.08 -1.26 -1.64 116.55 106.73 4pgm n ASP 117 Ca -0.29 0.24 -0.35 0.00 -1.51 0.00 0.00 54.79 52.89 4pgm n ASP 117 Cb 1.05 0.58 -0.14 0.00 2.34 0.00 0.00 41.12 44.96 4pgm n ASP 117 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 4pgm s VAL 118 N -2.87 3.50 0.61 5.18 1.01 -1.26 -4.92 120.40 121.65 4pgm s VAL 118 Ca -0.05 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.38 4pgm s VAL 118 Cb 0.09 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 4pgm s VAL 118 CO 0.83 0.45 0.96 -2.16 0.00 0.00 0.00 175.10 175.17 4pgm s PRO 119 N 1.08 3.15 1.14 2.72 0.04 -1.26 -4.71 135.00 137.16 4pgm s PRO 119 Ca 0.01 0.30 -0.17 0.00 0.04 0.00 0.00 61.00 61.19 4pgm s PRO 119 Cb -0.15 -2.19 0.26 0.00 0.04 0.00 0.00 34.50 32.46 4pgm s PRO 119 CO -0.00 -0.67 1.10 -2.14 0.04 0.00 0.00 177.00 175.32 4pgm s PRO 120 N -5.08 -0.72 0.30 0.56 0.02 -1.26 -4.97 135.00 123.85 4pgm s PRO 120 Ca 0.54 0.16 -0.29 0.00 0.02 0.00 0.00 61.00 61.43 4pgm s PRO 120 Cb -0.11 -1.63 -0.10 0.00 0.02 0.00 0.00 34.50 32.68 4pgm s PRO 120 CO 0.49 -3.42 1.27 -2.14 -0.33 0.00 0.00 177.00 172.86 4pgm s PRO 121 N -5.21 4.41 0.32 5.54 0.02 -1.26 -4.82 135.00 134.00 4pgm s PRO 121 Ca 0.69 2.12 -0.29 0.00 0.02 0.00 0.00 61.00 63.54 4pgm s PRO 121 Cb -0.13 -3.11 -0.10 0.00 0.02 0.00 0.00 34.50 31.17 4pgm s PRO 121 CO 0.57 -0.13 1.37 -1.25 -0.33 0.00 0.00 177.00 177.23 4pgm s PRO 122 N -1.45 4.29 0.10 5.54 0.04 -1.26 0.01 135.00 142.26 4pgm s PRO 122 Ca 0.49 2.30 -0.23 0.00 0.04 0.00 0.00 61.00 63.60 4pgm s PRO 122 Cb -0.38 -3.06 -0.07 0.00 0.04 0.00 0.00 34.50 31.03 4pgm s PRO 122 CO 0.48 -0.30 0.71 -1.50 0.04 0.00 0.00 177.00 176.43 4pgm s ILE 123 N -0.90 4.59 0.48 0.56 2.07 -1.16 -4.32 121.20 122.52 4pgm s ILE 123 Ca 0.52 1.53 -0.20 0.00 -1.41 0.00 0.00 60.65 61.10 4pgm s ILE 123 Cb -0.41 -4.06 -0.09 0.00 0.13 0.00 0.00 42.46 38.03 4pgm s ILE 123 CO 0.53 0.48 1.00 -0.62 -1.91 0.00 0.00 174.94 174.42 4pgm s ASP 124 N -0.76 6.55 0.61 4.50 2.15 -1.26 -4.91 116.67 123.54 4pgm s ASP 124 Ca 0.34 1.79 0.34 0.00 0.43 0.00 0.00 52.55 55.45 4pgm s ASP 124 Cb -0.21 -2.54 1.96 0.00 -0.30 0.00 0.00 42.92 41.83 4pgm s ASP 124 CO 0.23 -0.63 2.27 0.00 -0.17 0.00 0.00 175.17 176.87 4pgm h ALA 125 N 1.52 1.35 -0.16 3.66 0.00 -1.98 -2.37 119.26 121.28 4pgm h ALA 125 Ca -0.49 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.26 4pgm h ALA 125 Cb 1.20 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 4pgm h ALA 125 CO 0.60 0.01 -0.54 0.66 0.00 0.00 0.00 179.25 179.98 4pgm h SER 126 N 0.00 0.51 -2.90 0.00 4.64 -1.98 -3.46 113.55 110.35 4pgm h SER 126 Ca -0.00 -0.27 -0.59 0.00 -0.47 0.00 0.00 61.79 60.46 4pgm h SER 126 Cb 0.04 -0.15 0.13 0.00 -0.31 0.00 0.00 62.40 62.11 4pgm h SER 126 CO 0.00 0.95 0.14 -0.24 -0.87 0.00 0.00 176.83 176.81 4pgm n SER 127 N -3.95 1.22 -0.05 4.97 2.88 -0.89 -4.85 113.62 112.95 4pgm n SER 127 Ca -0.03 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 4pgm n SER 127 Cb 0.59 -1.33 0.01 0.00 -0.75 0.00 0.00 64.21 62.73 4pgm n SER 127 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 4pgm n PRO 128 N 0.32 1.06 -0.06 -1.46 -0.04 -1.26 -2.81 135.00 130.75 4pgm n PRO 128 Ca 0.09 -0.10 0.07 0.00 -0.04 0.00 0.00 63.50 63.52 4pgm n PRO 128 Cb 0.37 -1.02 0.09 0.00 -0.04 0.00 0.00 33.50 32.90 4pgm n PRO 128 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 4pgm n PHE 129 N -0.42 0.00 -3.83 0.54 3.72 -1.26 -5.02 117.46 111.19 4pgm n PHE 129 Ca 0.01 -0.81 -0.34 0.00 -0.05 0.00 0.00 57.45 56.27 4pgm n PHE 129 Cb 0.02 -0.12 -0.05 0.00 -0.94 0.00 0.00 39.48 38.40 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 -2.22 6.43 0.00 4.37 0.15 -1.12 -4.80 113.70 116.51 4pgm s SER 130 Ca 0.21 0.45 0.21 0.00 0.70 0.00 0.00 55.95 57.52 4pgm s SER 130 Cb 0.18 -2.04 -0.06 0.00 -1.71 0.00 0.00 66.02 62.39 4pgm s SER 130 CO 0.02 0.24 0.99 0.00 1.20 0.00 0.00 173.24 175.70 4pgm n GLN 131 N 0.96 1.09 -1.61 5.44 3.00 -1.26 -4.97 117.38 120.02 4pgm n GLN 131 Ca -0.10 -0.73 -0.60 0.00 -0.01 0.00 0.00 57.00 55.55 4pgm n GLN 131 Cb 0.53 -1.44 -0.09 0.00 0.00 0.00 0.00 30.24 29.24 4pgm n GLN 131 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 4pgm n LYS 132 N -0.38 0.60 -0.53 -1.09 0.00 -1.26 -0.15 118.16 115.35 4pgm n LYS 132 Ca 0.08 0.21 0.00 0.00 0.00 0.00 0.00 58.31 58.59 4pgm n LYS 132 Cb 0.41 -1.87 0.00 0.00 0.00 0.00 0.00 35.03 33.58 4pgm n LYS 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 4pgm n GLY 133 N 5.01 0.71 3.75 3.14 0.00 -1.26 -5.04 105.19 111.51 4pgm n GLY 133 Ca 0.35 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.17 7.15 0.25 1.61 -1.08 0.79 -4.95 116.67 118.27 4pgm s ASP 134 Ca 0.00 2.29 -0.05 0.00 -0.52 0.00 0.00 52.55 54.26 4pgm s ASP 134 Cb 0.00 -2.62 0.47 0.00 -1.46 0.00 0.00 42.92 39.31 4pgm s ASP 134 CO 0.00 -0.27 1.66 -0.08 0.52 0.00 0.00 175.17 177.00 4pgm h GLU 135 N 4.38 0.18 0.00 4.34 4.81 -1.96 -0.20 114.58 126.13 4pgm h GLU 135 Ca -0.46 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 4pgm h GLU 135 Cb 1.21 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.55 4pgm h GLU 135 CO 0.70 0.12 0.00 2.89 -0.73 0.00 0.00 179.01 181.99 4pgm n ARG 136 N -5.24 0.04 -0.33 1.92 1.85 -1.26 -1.92 116.66 111.72 4pgm n ARG 136 Ca 0.14 0.40 0.08 0.00 -1.00 0.00 0.00 57.85 57.47 4pgm n ARG 136 Cb 0.48 -1.60 0.18 0.00 -1.05 0.00 0.00 32.46 30.47 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 -1.68 0.11 0.85 2.89 4.01 -0.09 -4.73 117.16 118.52 4pgm n TYR 137 Ca 0.02 -1.22 0.14 0.00 -0.16 0.00 0.00 57.90 56.68 4pgm n TYR 137 Cb 0.11 -0.22 0.54 0.00 -0.31 0.00 0.00 39.34 39.46 4pgm n TYR 137 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 4pgm n LYS 138 N -1.25 0.10 -0.30 -0.72 2.85 -0.81 -3.13 118.16 114.90 4pgm n LYS 138 Ca 0.18 0.09 0.11 0.00 -1.05 0.00 0.00 58.31 57.64 4pgm n LYS 138 Cb 0.70 -1.62 0.27 0.00 -0.65 0.00 0.00 35.03 33.73 4pgm n LYS 138 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 4pgm n TYR 139 N -1.79 0.79 -4.27 5.58 4.01 -1.26 -4.91 117.16 115.30 4pgm n TYR 139 Ca 0.06 -0.42 -0.32 0.00 -0.16 0.00 0.00 57.90 57.07 4pgm n TYR 139 Cb 0.37 -0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.31 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 -1.13 3.98 -0.26 -0.72 1.01 -1.18 -5.05 120.40 117.04 4pgm s VAL 140 Ca 0.43 -0.78 -0.38 0.00 0.00 0.00 0.00 61.98 61.26 4pgm s VAL 140 Cb 0.23 -2.81 -0.14 0.00 0.00 0.00 0.00 36.38 33.67 4pgm s VAL 140 CO 0.31 0.29 1.89 -0.67 0.00 0.00 0.00 175.10 176.92 4pgm n ASP 141 N 1.14 2.55 -0.06 3.32 2.03 -1.26 -4.86 116.55 119.41 4pgm n ASP 141 Ca -0.13 0.89 0.17 0.00 0.52 0.00 0.00 54.79 56.24 4pgm n ASP 141 Cb 0.52 -1.22 0.61 0.00 -0.72 0.00 0.00 41.12 40.31 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 8.96 0.18 0.00 -0.67 0.11 -1.94 -2.27 132.00 136.36 4pgm h PRO 142 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 4pgm h PRO 142 Cb 1.31 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.38 4pgm h PRO 142 CO 0.98 0.12 0.00 0.09 -0.21 0.00 0.00 178.00 178.97 4pgm n ASN 143 N -4.42 0.37 -0.00 -2.05 3.02 -1.26 -3.33 115.26 107.59 4pgm n ASN 143 Ca 0.11 0.58 -0.03 0.00 -0.03 0.00 0.00 54.58 55.22 4pgm n ASN 143 Cb 0.55 -0.67 -0.11 0.00 -0.61 0.00 0.00 39.78 38.94 4pgm n ASN 143 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 4pgm n VAL 144 N -1.90 1.23 -1.73 2.41 3.14 -0.85 -4.91 118.33 115.71 4pgm n VAL 144 Ca 0.03 -0.73 -0.42 0.00 -2.96 0.00 0.00 64.34 60.26 4pgm n VAL 144 Cb 0.23 -0.71 -0.03 0.00 -1.06 0.00 0.00 33.84 32.27 4pgm n VAL 144 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 4pgm s LEU 145 N -5.71 4.41 0.46 6.55 2.01 -1.21 -4.96 118.68 120.23 4pgm s LEU 145 Ca -0.05 2.64 -0.22 0.00 0.01 0.00 0.00 54.13 56.52 4pgm s LEU 145 Cb 0.08 -3.54 -0.08 0.00 0.01 0.00 0.00 46.19 42.66 4pgm s LEU 145 CO 0.82 -1.02 1.06 -2.16 1.01 0.00 0.00 176.35 176.06 4pgm s PRO 146 N 3.96 3.87 0.00 1.29 0.04 -1.26 -4.98 135.00 137.91 4pgm s PRO 146 Ca 0.85 1.46 0.14 0.00 0.04 0.00 0.00 61.00 63.49 4pgm s PRO 146 Cb -0.42 -2.25 -0.13 0.00 0.04 0.00 0.00 34.50 31.74 4pgm s PRO 146 CO 0.39 -0.39 0.65 0.39 0.04 0.00 0.00 177.00 178.07 4pgm n GLU 147 N -0.69 2.18 -3.51 4.56 1.02 -1.26 -4.99 120.64 117.96 4pgm n GLU 147 Ca 0.08 -0.14 -0.11 0.00 -0.02 0.00 0.00 57.16 56.96 4pgm n GLU 147 Cb 0.51 -1.19 -0.03 0.00 -0.02 0.00 0.00 31.44 30.71 4pgm n GLU 147 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 4pgm s THR 148 N -2.25 0.00 -0.09 2.62 -4.23 -1.26 -2.97 115.64 107.46 4pgm s THR 148 Ca 0.07 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.41 4pgm s THR 148 Cb 0.11 -1.00 0.04 0.00 1.34 0.00 0.00 72.50 72.99 4pgm s THR 148 CO 0.55 0.00 0.42 -1.61 -0.54 0.00 0.00 174.62 173.44 4pgm s GLU 149 N -2.51 0.64 0.44 3.99 2.02 -0.18 -4.82 118.70 118.29 4pgm s GLU 149 Ca 0.00 0.25 0.08 0.00 0.02 0.00 0.00 54.97 55.32 4pgm s GLU 149 Cb -0.01 0.30 0.01 0.00 0.10 0.00 0.00 34.13 34.53 4pgm s GLU 149 CO -0.04 -0.14 0.50 -1.54 0.02 0.00 0.00 175.26 174.05 4pgm s SER 150 N -0.57 5.25 0.19 -0.19 1.04 -1.26 -4.43 113.70 113.74 4pgm s SER 150 Ca -0.07 -0.67 -0.11 0.00 0.48 0.00 0.00 55.95 55.58 4pgm s SER 150 Cb -0.04 -0.44 0.10 0.00 0.10 0.00 0.00 66.02 65.74 4pgm s SER 150 CO 0.03 -0.80 1.77 0.25 0.98 0.00 0.00 173.24 175.47 4pgm h LEU 151 N 0.77 0.87 -0.69 2.42 6.46 -1.73 -2.30 115.31 121.12 4pgm h LEU 151 Ca -0.39 -0.14 0.13 0.00 -0.12 0.00 0.00 57.88 57.35 4pgm h LEU 151 Cb 1.28 -0.23 -0.13 0.00 -0.73 0.00 0.00 40.66 40.85 4pgm h LEU 151 CO 0.51 0.77 -0.26 0.00 -0.62 0.00 0.00 178.44 178.85 4pgm h ALA 152 N 1.14 0.25 -0.57 1.25 0.00 -1.64 0.22 119.26 119.90 4pgm h ALA 152 Ca 0.22 0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.33 4pgm h ALA 152 Cb 0.14 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 4pgm h ALA 152 CO -0.03 -0.53 0.21 -0.07 0.00 0.00 0.00 179.25 178.83 4pgm h LEU 153 N -0.07 0.80 -0.05 0.00 4.07 -1.75 -2.12 115.31 116.18 4pgm h LEU 153 Ca 0.30 -0.18 0.00 0.00 0.08 0.00 0.00 57.88 58.08 4pgm h LEU 153 Cb 0.55 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.08 4pgm h LEU 153 CO -0.74 0.76 0.02 0.58 -1.08 0.00 0.00 178.44 177.98 4pgm h VAL 154 N 0.78 0.99 -0.06 1.22 2.07 -0.37 -1.09 116.25 119.80 4pgm h VAL 154 Ca 0.19 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.69 4pgm h VAL 154 Cb 0.22 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 4pgm h VAL 154 CO -0.01 0.01 0.04 0.40 0.02 0.00 0.00 177.57 178.02 4pgm h ILE 155 N 0.05 1.01 -0.13 4.57 2.04 -0.56 -1.36 117.51 123.12 4pgm h ILE 155 Ca 0.02 -0.02 -0.12 0.00 1.00 0.00 0.00 64.86 65.74 4pgm h ILE 155 Cb 0.01 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 4pgm h ILE 155 CO -0.02 0.01 -0.37 0.44 0.00 0.00 0.00 178.15 178.21 4pgm h ASP 156 N 0.07 0.56 0.93 1.72 3.32 -0.55 -1.04 116.42 121.43 4pgm h ASP 156 Ca 0.02 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.48 4pgm h ASP 156 Cb 0.01 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.40 4pgm h ASP 156 CO -0.00 1.05 -0.30 -2.11 -1.72 0.00 0.00 179.24 176.16 4pgm n ARG 157 N -4.33 0.13 -0.01 3.56 -4.01 -0.58 -3.93 116.66 107.49 4pgm n ARG 157 Ca -0.07 0.07 -0.22 0.00 -1.04 0.00 0.00 57.85 56.59 4pgm n ARG 157 Cb 0.52 -1.61 -0.14 0.00 -3.04 0.00 0.00 32.46 28.19 4pgm n ARG 157 CO 0.00 0.00 0.00 1.25 -3.04 0.00 0.00 177.63 175.84 4pgm h LEU 158 N 0.00 0.35 -0.86 2.89 6.46 -1.24 -3.40 115.31 119.51 4pgm h LEU 158 Ca 0.00 -0.84 0.22 0.00 -0.12 0.00 0.00 57.88 57.14 4pgm h LEU 158 Cb 0.61 -0.11 -0.14 0.00 -0.73 0.00 0.00 40.66 40.29 4pgm h LEU 158 CO 0.00 1.69 0.15 -0.07 -0.62 0.00 0.00 178.44 179.59 4pgm h LEU 159 N -0.27 -0.14 -1.97 2.25 3.38 -1.31 -1.29 115.31 115.96 4pgm h LEU 159 Ca -0.35 0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 4pgm h LEU 159 Cb 1.80 0.31 -0.00 0.00 0.09 0.00 0.00 40.66 42.85 4pgm h LEU 159 CO 0.03 -0.18 -0.10 1.55 0.09 0.00 0.00 178.44 179.83 4pgm h PRO 160 N 0.16 0.00 -0.01 1.13 0.13 -1.77 0.10 132.00 131.74 4pgm h PRO 160 Ca 0.52 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.52 4pgm h PRO 160 Cb 1.02 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.16 4pgm h PRO 160 CO -0.68 0.10 -0.51 -0.92 -0.23 0.00 0.00 178.00 175.76 4pgm h TYR 161 N 0.00 0.53 -0.16 1.56 3.20 -1.48 -2.67 116.97 117.95 4pgm h TYR 161 Ca -0.00 -0.28 0.02 0.00 3.14 0.00 0.00 58.73 61.60 4pgm h TYR 161 Cb 0.31 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 4pgm h TYR 161 CO 0.00 1.09 0.05 2.35 -1.64 0.00 0.00 178.16 180.01 4pgm h TRP 162 N -0.19 0.09 -0.83 -3.82 2.91 -1.16 -0.62 115.95 112.33 4pgm h TRP 162 Ca -0.06 0.01 0.01 0.00 1.13 0.00 0.00 58.89 59.98 4pgm h TRP 162 Cb 1.23 -0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 29.82 4pgm h TRP 162 CO 0.15 0.05 0.55 1.96 -1.03 0.00 0.00 178.44 180.12 4pgm h GLN 163 N 0.13 1.09 0.00 2.65 4.20 -0.86 0.16 115.11 122.49 4pgm h GLN 163 Ca 0.07 -0.07 -0.39 0.00 0.06 0.00 0.00 58.65 58.32 4pgm h GLN 163 Cb 0.04 -0.25 -0.06 0.00 0.30 0.00 0.00 27.48 27.52 4pgm h GLN 163 CO -0.07 0.72 -2.16 -0.25 -0.67 0.00 0.00 178.83 176.40 4pgm n ASP 164 N -4.51 1.93 -0.04 1.46 8.00 -1.01 -4.51 116.55 117.89 4pgm n ASP 164 Ca 0.09 0.35 -0.01 0.00 0.71 0.00 0.00 54.79 55.92 4pgm n ASP 164 Cb 0.02 -0.85 -0.00 0.00 -0.02 0.00 0.00 41.12 40.26 4pgm n ASP 164 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 4pgm h VAL 165 N -0.95 0.00 -0.69 2.53 2.07 -1.29 -3.31 116.25 114.62 4pgm h VAL 165 Ca -0.59 -0.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.22 4pgm h VAL 165 Cb 1.54 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 4pgm h VAL 165 CO -0.34 0.00 0.13 0.40 0.02 0.00 0.00 177.57 177.78 4pgm h ILE 166 N -0.63 1.26 -0.93 4.57 2.04 -1.44 -2.64 117.51 119.74 4pgm h ILE 166 Ca 0.00 -1.02 0.17 0.00 1.00 0.00 0.00 64.86 65.01 4pgm h ILE 166 Cb 0.15 0.59 -0.08 0.00 -0.74 0.00 0.00 36.82 36.75 4pgm h ILE 166 CO 0.00 0.39 0.60 0.00 0.00 0.00 0.00 178.15 179.13 4pgm h ALA 167 N 1.06 1.87 -0.16 1.87 0.00 -0.90 -1.51 119.26 121.51 4pgm h ALA 167 Ca 0.21 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 4pgm h ALA 167 Cb 0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 4pgm h ALA 167 CO 0.01 -0.16 0.03 -0.22 0.00 0.00 0.00 179.25 178.91 4pgm h LYS 168 N 0.66 0.26 -0.57 0.00 3.64 -1.56 0.84 116.57 119.83 4pgm h LYS 168 Ca 0.49 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.72 4pgm h LYS 168 Cb 0.87 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 4pgm h LYS 168 CO -0.24 0.42 0.02 -0.44 -2.27 0.00 0.00 179.45 176.94 4pgm h ASP 169 N 0.05 0.94 -0.14 4.20 3.32 -1.49 -1.01 116.42 122.30 4pgm h ASP 169 Ca 0.05 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 4pgm h ASP 169 Cb 0.29 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 4pgm h ASP 169 CO 0.00 0.98 0.07 0.25 -1.72 0.00 0.00 179.24 178.82 4pgm h LEU 170 N 0.90 0.18 0.00 1.55 5.85 -1.10 -0.28 115.31 122.40 4pgm h LEU 170 Ca 0.17 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.77 4pgm h LEU 170 Cb 0.49 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.48 4pgm h LEU 170 CO 0.02 0.25 0.00 0.18 -0.34 0.00 0.00 178.44 178.55 4pgm n LEU 171 N -4.92 0.00 -1.17 2.25 4.77 0.27 -1.92 117.00 116.28 4pgm n LEU 171 Ca -0.05 0.35 0.11 0.00 -0.03 0.00 0.00 56.01 56.39 4pgm n LEU 171 Cb 0.09 -0.35 0.25 0.00 -2.33 0.00 0.00 43.42 41.08 4pgm n LEU 171 CO 0.34 -0.15 0.72 -1.20 -1.33 0.00 0.00 177.39 175.77 4pgm n SER 172 N -1.35 3.59 0.00 -1.43 7.64 -0.29 -4.95 113.62 116.83 4pgm n SER 172 Ca 0.07 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.97 4pgm n SER 172 Cb 0.16 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 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 1.43 0.49 3.64 0.23 0.00 -0.81 -5.01 105.19 105.17 4pgm n GLY 173 Ca 0.20 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.43 4.17 -0.06 1.61 3.01 -0.27 -4.98 119.74 122.79 4pgm s LYS 174 Ca 0.00 0.81 -0.30 0.00 -1.01 0.00 0.00 55.97 55.47 4pgm s LYS 174 Cb 0.00 -3.64 -0.04 0.00 -1.01 0.00 0.00 37.83 33.14 4pgm s LYS 174 CO 0.00 -0.46 1.39 0.99 0.51 0.00 0.00 175.35 177.78 4pgm s THR 175 N 2.64 3.89 -0.13 2.17 2.01 -1.26 -4.16 115.64 120.79 4pgm s THR 175 Ca 0.32 1.19 -0.03 0.00 0.31 0.00 0.00 61.69 63.48 4pgm s THR 175 Cb -0.15 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 4pgm s THR 175 CO 0.08 -0.04 -0.04 0.68 -0.69 0.00 0.00 174.62 174.61 4pgm s VAL 176 N 2.93 3.92 -0.13 3.82 -7.23 -0.60 -0.36 120.40 122.75 4pgm s VAL 176 Ca 0.62 -0.36 -0.05 0.00 -1.81 0.00 0.00 61.98 60.38 4pgm s VAL 176 Cb -0.29 -2.69 -0.04 0.00 0.56 0.00 0.00 36.38 33.93 4pgm s VAL 176 CO 0.24 0.52 0.07 -0.32 -0.31 0.00 0.00 175.10 175.30 4pgm s MET 177 N 0.03 3.46 -0.07 4.82 -2.45 -0.61 -0.76 119.30 123.72 4pgm s MET 177 Ca 0.00 -0.29 0.04 0.00 -1.25 0.00 0.00 55.69 54.20 4pgm s MET 177 Cb -0.13 -3.07 0.00 0.00 1.25 0.00 0.00 34.83 32.88 4pgm s MET 177 CO 0.03 0.59 -0.20 0.42 1.05 0.00 0.00 175.02 176.91 4pgm s ILE 178 N -0.54 1.72 -0.38 10.11 1.01 0.48 -0.14 121.20 133.46 4pgm s ILE 178 Ca 0.11 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.89 4pgm s ILE 178 Cb -0.12 -1.49 0.10 0.00 0.01 0.00 0.00 42.46 40.95 4pgm s ILE 178 CO 0.02 0.49 0.15 0.00 0.00 0.00 0.00 174.94 175.60 4pgm s ALA 179 N 0.26 3.07 0.00 9.38 0.00 0.90 -1.48 121.76 133.88 4pgm s ALA 179 Ca -0.12 -2.37 0.00 0.00 0.00 0.00 0.00 51.96 49.47 4pgm s ALA 179 Cb -0.15 -2.28 0.00 0.00 0.00 0.00 0.00 23.12 20.68 4pgm s ALA 179 CO 0.06 -1.68 0.00 0.00 0.00 0.00 0.00 175.76 174.14 4pgm n ALA 180 N 4.57 0.00 -2.37 0.00 0.00 -1.19 -2.94 120.51 118.58 4pgm n ALA 180 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.21 4pgm n ALA 180 Cb 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.77 4pgm n ALA 180 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 4pgm s HIS 181 N 1.76 1.73 0.10 0.00 3.76 -1.26 -3.49 115.29 117.89 4pgm s HIS 181 Ca 0.00 -0.73 -0.20 0.00 -0.15 0.00 0.00 55.06 53.98 4pgm s HIS 181 Cb 0.00 -0.94 -0.04 0.00 1.11 0.00 0.00 32.58 32.71 4pgm s HIS 181 CO 0.00 0.20 1.12 0.41 -0.85 0.00 0.00 174.74 175.62 4pgm n GLY 182 N -0.45 -2.07 0.32 -2.22 0.00 -1.26 -0.48 105.19 99.02 4pgm n GLY 182 Ca -0.06 0.84 -0.07 0.00 0.00 0.00 0.00 46.02 46.73 4pgm n GLY 182 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 4pgm h ASN 183 N 0.00 1.03 -0.28 1.61 2.35 -1.97 -1.02 115.58 117.30 4pgm h ASN 183 Ca 0.10 -0.19 -0.13 0.00 -0.55 0.00 0.00 56.30 55.53 4pgm h ASN 183 Cb 0.26 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 4pgm h ASN 183 CO -0.60 0.94 -0.31 0.28 -1.65 0.00 0.00 177.43 176.09 4pgm h SER 184 N 1.06 0.84 -0.13 5.81 0.02 -1.54 0.11 113.55 119.72 4pgm h SER 184 Ca 0.24 -0.34 -0.17 0.00 -0.84 0.00 0.00 61.79 60.68 4pgm h SER 184 Cb 0.25 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.57 4pgm h SER 184 CO -0.01 1.08 -0.57 -0.07 -1.14 0.00 0.00 176.83 176.11 4pgm h LEU 185 N 0.68 0.72 -0.55 5.07 3.38 -0.67 -2.14 115.31 121.81 4pgm h LEU 185 Ca 0.07 -0.63 -0.10 0.00 0.09 0.00 0.00 57.88 57.32 4pgm h LEU 185 Cb 0.85 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 4pgm h LEU 185 CO 0.07 1.24 -0.03 0.03 0.09 0.00 0.00 178.44 179.84 4pgm h ARG 186 N 0.26 0.99 -0.58 1.13 3.08 -1.17 -0.06 114.38 118.03 4pgm h ARG 186 Ca -0.04 -0.33 0.07 0.00 0.07 0.00 0.00 59.98 59.75 4pgm h ARG 186 Cb 1.21 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.15 4pgm h ARG 186 CO 0.12 1.01 0.38 0.78 -1.07 0.00 0.00 179.97 181.19 4pgm h GLY 187 N 0.86 0.66 1.27 0.04 0.00 -0.74 0.21 103.07 105.37 4pgm h GLY 187 Ca 0.15 -0.21 -0.34 0.00 0.00 0.00 0.00 47.33 46.94 4pgm h GLY 187 CO 0.03 0.15 -1.49 -2.00 0.00 0.00 0.00 176.54 173.24 4pgm h LEU 188 N 0.52 0.82 -0.67 3.11 5.85 -0.71 -3.19 115.31 121.04 4pgm h LEU 188 Ca 0.25 -0.89 0.04 0.00 0.84 0.00 0.00 57.88 58.11 4pgm h LEU 188 Cb 0.33 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 4pgm h LEU 188 CO -0.07 1.70 0.41 0.58 -0.34 0.00 0.00 178.44 180.72 4pgm h VAL 189 N 0.14 1.06 -0.88 1.05 2.07 -0.40 -1.47 116.25 117.82 4pgm h VAL 189 Ca -0.26 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.05 4pgm h VAL 189 Cb 2.16 0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 32.08 4pgm h VAL 189 CO 0.27 0.15 0.57 0.50 0.02 0.00 0.00 177.57 179.08 4pgm h LYS 190 N 0.80 0.99 -0.21 1.57 3.64 -1.05 0.28 116.57 122.58 4pgm h LYS 190 Ca 0.28 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.45 4pgm h LYS 190 Cb 0.06 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 4pgm h LYS 190 CO -0.12 0.65 -0.43 1.25 -2.27 0.00 0.00 179.45 178.53 4pgm h HIS 191 N 1.02 0.85 -0.37 1.91 2.76 -1.37 0.73 115.15 120.67 4pgm h HIS 191 Ca 0.37 -0.31 -0.08 0.00 -2.20 0.00 0.00 60.37 58.15 4pgm h HIS 191 Cb 0.16 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 4pgm h HIS 191 CO -0.00 1.08 -0.08 -0.07 -1.30 0.00 0.00 177.93 177.56 4pgm h LEU 192 N 0.37 0.71 -0.38 0.26 3.38 -0.73 -3.19 115.31 115.73 4pgm h LEU 192 Ca 0.01 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.62 4pgm h LEU 192 Cb 1.04 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.60 4pgm h LEU 192 CO 0.10 0.90 -0.51 -0.62 0.09 0.00 0.00 178.44 178.39 4pgm n GLU 193 N -4.39 0.54 -1.76 1.13 1.02 0.94 -4.39 120.64 113.73 4pgm n GLU 193 Ca -0.02 -0.38 -0.13 0.00 -0.02 0.00 0.00 57.16 56.62 4pgm n GLU 193 Cb 0.34 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.24 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 1.43 0.67 3.71 0.62 0.00 0.24 -4.96 105.19 106.89 4pgm n GLY 194 Ca 0.08 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 4pgm n GLY 194 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 4pgm n ILE 195 N -3.26 2.26 -1.51 -0.61 5.41 -0.37 -4.97 119.36 116.31 4pgm n ILE 195 Ca -0.14 -0.50 -0.30 0.00 1.00 0.00 0.00 62.75 62.81 4pgm n ILE 195 Cb 0.50 -1.62 0.08 0.00 -0.71 0.00 0.00 39.64 37.89 4pgm n ILE 195 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 4pgm s SER 196 N -0.39 4.73 0.38 4.38 0.01 -1.26 -4.81 113.70 116.74 4pgm s SER 196 Ca 0.58 1.46 0.05 0.00 1.31 0.00 0.00 55.95 59.35 4pgm s SER 196 Cb -0.53 -2.24 0.76 0.00 0.21 0.00 0.00 66.02 64.22 4pgm s SER 196 CO 0.60 -1.84 2.04 0.44 0.41 0.00 0.00 173.24 174.89 4pgm h ASP 197 N -1.00 0.59 0.94 2.44 5.19 -2.00 -0.93 116.42 121.65 4pgm h ASP 197 Ca -0.46 -0.01 -0.19 0.00 -0.62 0.00 0.00 57.03 55.74 4pgm h ASP 197 Cb 1.25 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 40.58 4pgm h ASP 197 CO 0.57 0.42 -0.92 0.00 -3.12 0.00 0.00 179.24 176.19 4pgm h ALA 198 N 1.68 0.47 0.00 3.45 0.00 -2.01 -3.34 119.26 119.51 4pgm h ALA 198 Ca 0.19 -0.84 -0.25 0.00 0.00 0.00 0.00 54.91 54.01 4pgm h ALA 198 Cb -0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 4pgm h ALA 198 CO -0.04 1.16 -1.38 -0.44 0.00 0.00 0.00 179.25 178.55 4pgm h ASP 199 N 0.00 0.00 -0.50 0.00 5.19 -1.85 -3.37 116.42 115.89 4pgm h ASP 199 Ca -0.01 0.00 0.09 0.00 -0.62 0.00 0.00 57.03 56.49 4pgm h ASP 199 Cb 1.64 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 41.13 4pgm h ASP 199 CO 0.12 0.98 0.34 -0.29 -3.12 0.00 0.00 179.24 177.27 4pgm h ILE 200 N 0.00 0.90 0.00 0.35 6.09 -1.29 -0.03 117.51 123.53 4pgm h ILE 200 Ca -0.16 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.23 4pgm h ILE 200 Cb 1.89 0.57 0.00 0.00 0.47 0.00 0.00 36.82 39.75 4pgm h ILE 200 CO 0.10 0.06 0.00 0.00 -3.07 0.00 0.00 178.15 175.24 4pgm n ALA 201 N -2.54 1.33 0.05 0.18 0.00 -1.26 -2.04 120.51 116.24 4pgm n ALA 201 Ca 0.08 0.10 -0.17 0.00 0.00 0.00 0.00 53.44 53.44 4pgm n ALA 201 Cb 0.35 -1.28 -0.14 0.00 0.00 0.00 0.00 19.45 18.37 4pgm n ALA 201 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 4pgm h LYS 202 N 0.00 0.25 -7.02 0.00 6.56 -1.24 -3.48 116.57 111.63 4pgm h LYS 202 Ca 0.00 -0.42 -0.52 0.00 -1.06 0.00 0.00 60.65 58.65 4pgm h LYS 202 Cb 0.16 0.16 0.09 0.00 -0.57 0.00 0.00 32.23 32.07 4pgm h LYS 202 CO 0.00 1.10 0.53 -1.17 -2.06 0.00 0.00 179.45 177.85 4pgm s LEU 203 N -6.95 3.94 -0.17 2.94 2.96 -0.86 -5.06 118.68 115.47 4pgm s LEU 203 Ca -0.10 2.48 -0.19 0.00 -0.22 0.00 0.00 54.13 56.10 4pgm s LEU 203 Cb 0.07 -4.27 0.05 0.00 0.50 0.00 0.00 46.19 42.54 4pgm s LEU 203 CO 0.84 -1.18 0.51 0.21 -1.32 0.00 0.00 176.35 175.41 4pgm s ASN 204 N -1.22 -0.52 -0.19 3.68 3.84 -1.26 -5.06 114.94 114.22 4pgm s ASN 204 Ca 0.67 0.95 -0.04 0.00 0.21 0.00 0.00 52.86 54.65 4pgm s ASN 204 Cb -0.33 0.96 -0.02 0.00 -0.55 0.00 0.00 41.25 41.32 4pgm s ASN 204 CO 0.39 -0.23 -0.04 -0.63 -2.79 0.00 0.00 177.10 173.80 4pgm s ILE 205 N 0.05 3.61 0.32 -5.21 1.01 -1.26 -5.09 121.20 114.63 4pgm s ILE 205 Ca -0.02 -0.43 -0.29 0.00 0.00 0.00 0.00 60.65 59.91 4pgm s ILE 205 Cb -0.03 -2.61 -0.12 0.00 0.01 0.00 0.00 42.46 39.70 4pgm s ILE 205 CO 0.02 0.45 1.46 -0.81 0.00 0.00 0.00 174.94 176.06 4pgm n PRO 206 N 4.20 2.44 -2.39 2.79 -0.04 -1.26 -4.95 135.00 135.80 4pgm n PRO 206 Ca -0.18 0.86 -0.42 0.00 -0.04 0.00 0.00 63.50 63.73 4pgm n PRO 206 Cb 0.52 -2.56 -0.03 0.00 -0.04 0.00 0.00 33.50 31.39 4pgm n PRO 206 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 4pgm s THR 207 N -0.59 3.94 0.00 0.52 -4.23 -1.26 -3.60 115.64 110.42 4pgm s THR 207 Ca 0.60 1.40 0.00 0.00 -1.18 0.00 0.00 61.69 62.50 4pgm s THR 207 Cb -0.53 -3.89 0.00 0.00 1.34 0.00 0.00 72.50 69.41 4pgm s THR 207 CO 0.56 0.11 0.00 0.61 -0.54 0.00 0.00 174.62 175.36 4pgm n GLY 208 N 3.24 0.80 3.25 3.99 0.00 0.30 -4.85 105.19 111.93 4pgm n GLY 208 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.87 3.28 0.41 -0.61 1.01 -1.24 -3.77 121.20 117.42 4pgm s ILE 209 Ca 0.00 -0.92 -0.26 0.00 0.00 0.00 0.00 60.65 59.47 4pgm s ILE 209 Cb 0.00 -2.69 -0.10 0.00 0.01 0.00 0.00 42.46 39.68 4pgm s ILE 209 CO 0.00 0.14 1.27 -2.65 0.00 0.00 0.00 174.94 173.69 4pgm n PRO 210 N 4.74 1.94 -4.11 2.79 -0.02 -1.26 -4.65 135.00 134.43 4pgm n PRO 210 Ca -0.16 0.69 -0.33 0.00 -2.02 0.00 0.00 63.50 61.69 4pgm n PRO 210 Cb 0.47 -2.37 -0.16 0.00 -0.02 0.00 0.00 33.50 31.43 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 -1.57 2.19 -0.04 2.45 0.20 0.13 -2.27 118.68 119.77 4pgm s LEU 211 Ca 0.60 -0.69 -0.08 0.00 0.69 0.00 0.00 54.13 54.65 4pgm s LEU 211 Cb -0.52 -1.46 -0.05 0.00 -0.43 0.00 0.00 46.19 43.74 4pgm s LEU 211 CO 0.58 -0.02 0.24 -0.69 -0.29 0.00 0.00 176.35 176.18 4pgm s VAL 212 N 1.29 5.33 -0.10 1.68 1.01 -0.26 0.17 120.40 129.52 4pgm s VAL 212 Ca 0.04 0.31 -0.01 0.00 0.00 0.00 0.00 61.98 62.33 4pgm s VAL 212 Cb -0.13 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.74 4pgm s VAL 212 CO -0.12 0.51 -0.05 -0.36 0.00 0.00 0.00 175.10 175.07 4pgm s PHE 213 N -1.15 1.23 -0.09 5.22 0.08 0.58 -2.21 117.98 121.64 4pgm s PHE 213 Ca 0.22 -0.56 -0.18 0.00 0.12 0.00 0.00 56.93 56.52 4pgm s PHE 213 Cb -0.13 -1.10 -0.04 0.00 -0.57 0.00 0.00 43.02 41.17 4pgm s PHE 213 CO 0.11 -0.46 0.49 -1.21 -0.10 0.00 0.00 175.22 174.06 4pgm s GLU 214 N 1.79 4.31 0.19 0.44 8.01 -1.26 -1.44 118.70 130.73 4pgm s GLU 214 Ca 0.05 0.50 0.09 0.00 0.01 0.00 0.00 54.97 55.62 4pgm s GLU 214 Cb -0.12 -3.41 -0.04 0.00 -4.31 0.00 0.00 34.13 26.24 4pgm s GLU 214 CO -0.07 0.22 -0.19 -0.51 0.01 0.00 0.00 175.26 174.72 4pgm s LEU 215 N 0.39 2.48 0.00 1.80 1.43 0.02 -1.43 118.68 123.36 4pgm s LEU 215 Ca 0.27 -0.91 0.06 0.00 -1.03 0.00 0.00 54.13 52.51 4pgm s LEU 215 Cb -0.16 -0.89 0.10 0.00 0.03 0.00 0.00 46.19 45.27 4pgm s LEU 215 CO 0.12 -0.02 0.76 -0.90 0.23 0.00 0.00 176.35 176.53 4pgm n ASP 216 N 0.06 1.62 0.30 2.29 5.68 0.12 -3.04 116.55 123.58 4pgm n ASP 216 Ca -0.11 -2.22 0.18 0.00 -0.50 0.00 0.00 54.79 52.13 4pgm n ASP 216 Cb 0.58 -0.44 0.91 0.00 -1.14 0.00 0.00 41.12 41.03 4pgm n ASP 216 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 4pgm h GLU 217 N 0.00 0.00 -0.57 0.11 3.07 -1.99 0.52 114.58 115.73 4pgm h GLU 217 Ca -0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 4pgm h GLU 217 Cb 1.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.99 4pgm h GLU 217 CO 0.33 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 178.03 4pgm n ASN 218 N -3.13 4.29 -2.56 1.42 3.02 -1.26 -4.96 115.26 112.08 4pgm n ASN 218 Ca -0.01 -2.39 -0.20 0.00 -0.03 0.00 0.00 54.58 51.95 4pgm n ASN 218 Cb 0.32 -0.51 0.02 0.00 -0.61 0.00 0.00 39.78 39.00 4pgm n ASN 218 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 4pgm n LEU 219 N 0.90 -2.36 -4.75 3.41 4.32 0.18 -5.02 117.00 113.67 4pgm n LEU 219 Ca 0.23 -0.18 -0.33 0.00 -0.02 0.00 0.00 56.01 55.71 4pgm n LEU 219 Cb 0.79 -2.74 -0.07 0.00 -1.62 0.00 0.00 43.42 39.77 4pgm n LEU 219 CO 0.20 0.08 -0.27 -0.54 -1.22 0.00 0.00 177.39 175.64 4pgm s LYS 220 N -5.39 2.96 -0.01 3.23 1.02 -1.26 -4.76 119.74 115.54 4pgm s LYS 220 Ca 0.19 -0.55 -0.32 0.00 0.02 0.00 0.00 55.97 55.31 4pgm s LYS 220 Cb -0.08 -2.79 -0.10 0.00 -0.52 0.00 0.00 37.83 34.34 4pgm s LYS 220 CO 0.23 0.63 1.92 -2.30 -0.92 0.00 0.00 175.35 174.92 4pgm n PRO 221 N 1.15 2.57 0.00 -1.68 -0.02 -1.26 -0.70 135.00 135.07 4pgm n PRO 221 Ca -0.13 0.94 0.14 0.00 -2.02 0.00 0.00 63.50 62.43 4pgm n PRO 221 Cb 0.53 -2.85 0.56 0.00 -0.02 0.00 0.00 33.50 31.72 4pgm n PRO 221 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 4pgm n SER 222 N 6.98 0.41 -3.56 2.55 3.41 -0.52 -4.86 113.62 118.03 4pgm n SER 222 Ca 0.21 -0.37 -0.07 0.00 -0.26 0.00 0.00 58.87 58.38 4pgm n SER 222 Cb 0.36 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.19 4pgm n SER 222 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 4pgm s LYS 223 N -2.63 0.53 0.28 4.33 -2.85 -1.26 -5.07 119.74 113.08 4pgm s LYS 223 Ca 0.24 -0.13 -0.29 0.00 -1.00 0.00 0.00 55.97 54.80 4pgm s LYS 223 Cb 0.19 0.25 -0.14 0.00 -2.06 0.00 0.00 37.83 36.07 4pgm s LYS 223 CO 0.52 -0.22 1.12 -2.30 0.10 0.00 0.00 175.35 174.57 4pgm n PRO 224 N 0.04 1.57 -1.93 1.78 -0.02 -1.26 -4.57 135.00 130.61 4pgm n PRO 224 Ca -0.05 0.55 -0.39 0.00 -2.02 0.00 0.00 63.50 61.59 4pgm n PRO 224 Cb 0.59 -2.01 0.01 0.00 -0.02 0.00 0.00 33.50 32.08 4pgm n PRO 224 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 4pgm s SER 225 N -0.37 5.95 0.06 2.55 1.04 -1.26 -4.87 113.70 116.80 4pgm s SER 225 Ca 0.60 2.74 0.04 0.00 0.48 0.00 0.00 55.95 59.81 4pgm s SER 225 Cb -0.68 -2.64 -0.03 0.00 0.10 0.00 0.00 66.02 62.77 4pgm s SER 225 CO 0.59 -1.10 -0.11 -0.72 0.98 0.00 0.00 173.24 172.88 4pgm s TYR 226 N -1.27 0.95 0.26 5.02 1.13 -0.94 -4.98 117.35 117.53 4pgm s TYR 226 Ca 0.62 -0.51 -0.08 0.00 -1.41 0.00 0.00 57.07 55.68 4pgm s TYR 226 Cb -0.40 -0.55 -0.06 0.00 -1.10 0.00 0.00 41.96 39.85 4pgm s TYR 226 CO 0.50 -0.01 0.56 0.71 -2.51 0.00 0.00 175.55 174.80 4pgm s TYR 227 N -1.54 3.45 -0.13 -3.49 1.51 -1.26 -1.10 117.35 114.79 4pgm s TYR 227 Ca -0.04 0.80 0.28 0.00 -1.01 0.00 0.00 57.07 57.10 4pgm s TYR 227 Cb -0.09 -2.21 0.90 0.00 -0.11 0.00 0.00 41.96 40.45 4pgm s TYR 227 CO 0.01 0.21 1.81 -0.07 -1.11 0.00 0.00 175.55 176.40 4pgm h LEU 228 N 2.15 0.00 -6.21 -1.29 3.38 -1.78 -3.23 115.31 108.33 4pgm h LEU 228 Ca -0.47 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.91 4pgm h LEU 228 Cb 1.18 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.52 4pgm h LEU 228 CO 0.68 0.02 -0.79 -0.67 0.09 0.00 0.00 178.44 177.77 4pgm n ASP 229 N -3.11 2.25 -0.30 -0.43 2.03 -1.26 -4.97 116.55 110.76 4pgm n ASP 229 Ca 0.02 -3.11 0.13 0.00 0.52 0.00 0.00 54.79 52.35 4pgm n ASP 229 Cb 0.41 -0.66 0.29 0.00 -0.72 0.00 0.00 41.12 40.44 4pgm n ASP 229 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 4pgm h PRO 230 N 4.30 0.22 0.28 -0.67 0.11 -1.97 -2.06 132.00 132.21 4pgm h PRO 230 Ca 0.16 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 4pgm h PRO 230 Cb 0.76 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 4pgm h PRO 230 CO 0.67 0.15 -0.20 0.93 -0.21 0.00 0.00 178.00 179.33 4pgm h GLU 231 N 0.23 -0.47 -0.66 1.05 3.07 -1.93 0.20 114.58 116.07 4pgm h GLU 231 Ca 0.55 0.03 0.02 0.00 -0.50 0.00 0.00 59.36 59.45 4pgm h GLU 231 Cb 1.09 0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 29.07 4pgm h GLU 231 CO -0.64 -0.31 0.43 0.00 -1.40 0.00 0.00 179.01 177.10 4pgm h ALA 232 N 0.19 1.57 -0.16 3.43 0.00 -1.83 -2.63 119.26 119.84 4pgm h ALA 232 Ca -0.02 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 4pgm h ALA 232 Cb 0.42 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.97 4pgm h ALA 232 CO 0.00 0.38 -0.47 0.00 0.00 0.00 0.00 179.25 179.16 4pgm h ALA 233 N 1.60 0.27 -0.22 0.00 0.00 -1.06 -3.24 119.26 116.61 4pgm h ALA 233 Ca 0.25 -0.49 0.06 0.00 0.00 0.00 0.00 54.91 54.74 4pgm h ALA 233 Cb -0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 4pgm h ALA 233 CO -0.06 0.43 0.27 0.00 0.00 0.00 0.00 179.25 179.88 4pgm h ALA 234 N 0.55 1.83 0.00 0.00 0.00 -0.24 -2.70 119.26 118.69 4pgm h ALA 234 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 4pgm h ALA 234 Cb 1.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 4pgm h ALA 234 CO 0.10 -0.38 0.00 0.00 0.00 0.00 0.00 179.25 178.97 4pgm n ALA 235 N -2.29 3.79 0.50 0.00 0.00 -1.15 -5.10 120.51 116.26 4pgm n ALA 235 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.53 4pgm n ALA 235 Cb 0.40 -1.04 0.05 0.00 0.00 0.00 0.00 19.45 18.86 4pgm n ALA 235 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91