#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pgz s GLU 9 N 0.00 1.07 0.51 1.97 -1.05 -1.26 -4.98 118.70 114.95 1pgz s GLU 9 Ca 0.00 0.20 -0.23 0.00 -0.15 0.00 0.00 54.97 54.79 1pgz s GLU 9 Cb 0.00 -1.84 -0.07 0.00 -0.44 0.00 0.00 34.13 31.78 1pgz s GLU 9 CO 0.00 -2.23 1.24 -2.30 0.95 0.00 0.00 175.26 172.92 1pgz n PRO 10 N -3.77 1.62 0.11 -4.83 -0.02 -1.26 -4.91 135.00 121.94 1pgz n PRO 10 Ca 0.08 0.59 -0.13 0.00 -2.02 0.00 0.00 63.50 62.02 1pgz n PRO 10 Cb 0.59 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 1pgz n PRO 10 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1pgz h GLU 11 N 1.50 -0.27 -0.94 -0.52 4.22 -1.98 -2.35 114.58 114.24 1pgz h GLU 11 Ca -0.49 0.02 0.20 0.00 0.08 0.00 0.00 59.36 59.17 1pgz h GLU 11 Cb 1.31 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 30.51 1pgz h GLU 11 CO 0.57 -0.18 0.51 0.37 -2.18 0.00 0.00 179.01 178.09 1pgz h GLN 12 N -0.28 0.56 0.00 1.92 5.75 -1.94 0.40 115.11 121.51 1pgz h GLN 12 Ca 0.01 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1pgz h GLN 12 Cb 0.28 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.70 1pgz h GLN 12 CO -0.04 0.37 0.00 1.28 -2.65 0.00 0.00 178.83 177.79 1pgz n LEU 13 N -4.90 0.00 -0.76 -2.39 4.32 -0.92 -3.06 117.00 109.29 1pgz n LEU 13 Ca 0.22 0.47 0.09 0.00 -0.02 0.00 0.00 56.01 56.78 1pgz n LEU 13 Cb 0.61 -0.47 0.08 0.00 -1.62 0.00 0.00 43.42 42.02 1pgz n LEU 13 CO 0.18 -0.11 0.55 0.54 -1.22 0.00 0.00 177.39 177.32 1pgz n ARG 14 N -1.47 1.63 -4.20 3.23 1.74 0.13 -4.69 116.66 113.03 1pgz n ARG 14 Ca 0.06 -1.64 -0.30 0.00 -0.77 0.00 0.00 57.85 55.20 1pgz n ARG 14 Cb 0.25 -1.36 -0.09 0.00 -1.02 0.00 0.00 32.46 30.24 1pgz n ARG 14 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1pgz s LYS 15 N -1.54 2.48 0.05 5.56 2.20 -0.88 -1.39 119.74 126.22 1pgz s LYS 15 Ca 0.22 -0.84 0.08 0.00 -0.36 0.00 0.00 55.97 55.07 1pgz s LYS 15 Cb 0.16 -2.50 -0.03 0.00 -1.51 0.00 0.00 37.83 33.95 1pgz s LYS 15 CO 0.23 0.55 -0.22 -0.51 -0.36 0.00 0.00 175.35 175.05 1pgz s LEU 16 N -2.12 2.18 -0.07 5.43 1.43 0.85 -2.69 118.68 123.69 1pgz s LEU 16 Ca 0.23 -0.55 -0.17 0.00 -1.03 0.00 0.00 54.13 52.62 1pgz s LEU 16 Cb -0.11 -1.02 -0.05 0.00 0.03 0.00 0.00 46.19 45.04 1pgz s LEU 16 CO 0.15 0.17 0.45 0.12 0.23 0.00 0.00 176.35 177.47 1pgz s PHE 17 N -0.82 3.60 -0.26 0.29 5.36 -0.03 -1.83 117.98 124.29 1pgz s PHE 17 Ca 0.08 0.94 -0.01 0.00 -0.96 0.00 0.00 56.93 56.98 1pgz s PHE 17 Cb -0.09 -2.45 0.04 0.00 -0.34 0.00 0.00 43.02 40.18 1pgz s PHE 17 CO 0.02 0.36 -0.06 0.42 -1.46 0.00 0.00 175.22 174.51 1pgz s ILE 18 N -0.09 2.77 0.26 3.12 -1.09 0.17 -0.16 121.20 126.20 1pgz s ILE 18 Ca 0.25 -1.22 0.06 0.00 -2.23 0.00 0.00 60.65 57.52 1pgz s ILE 18 Cb -0.16 -2.49 -0.03 0.00 -1.58 0.00 0.00 42.46 38.20 1pgz s ILE 18 CO 0.12 0.09 0.28 -0.83 -1.23 0.00 0.00 174.94 173.37 1pgz s GLY 19 N 1.27 1.39 -0.74 6.18 0.00 0.60 -1.29 107.32 114.73 1pgz s GLY 19 Ca -0.03 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.31 1pgz s GLY 19 CO -0.04 -1.40 0.00 0.61 0.00 0.00 0.00 173.10 172.28 1pgz n GLY 20 N -1.31 0.87 3.60 0.20 0.00 -0.87 -0.47 105.19 107.20 1pgz n GLY 20 Ca -0.07 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 1pgz n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pgz n LEU 21 N -0.80 3.03 -4.77 0.99 4.77 -0.54 -4.74 117.00 114.95 1pgz n LEU 21 Ca -0.07 0.88 -0.38 0.00 -0.03 0.00 0.00 56.01 56.41 1pgz n LEU 21 Cb 0.33 -1.36 -0.01 0.00 -2.33 0.00 0.00 43.42 40.05 1pgz n LEU 21 CO 0.11 -1.84 0.83 -0.55 -1.33 0.00 0.00 177.39 174.61 1pgz s SER 22 N -1.06 6.31 0.52 -1.43 0.15 -1.26 -4.64 113.70 112.30 1pgz s SER 22 Ca 0.71 2.32 0.28 0.00 0.70 0.00 0.00 55.95 59.96 1pgz s SER 22 Cb -0.46 -2.61 1.41 0.00 -1.71 0.00 0.00 66.02 62.65 1pgz s SER 22 CO 0.51 -0.82 1.92 2.19 1.20 0.00 0.00 173.24 178.25 1pgz h PHE 23 N 2.29 0.05 -0.61 3.44 -5.15 -1.95 -0.23 116.94 114.78 1pgz h PHE 23 Ca -0.49 0.00 -0.19 0.00 -0.20 0.00 0.00 57.97 57.09 1pgz h PHE 23 Cb 1.24 -0.02 -0.11 0.00 0.22 0.00 0.00 35.95 37.28 1pgz h PHE 23 CO 0.54 0.02 0.24 -0.85 -2.00 0.00 0.00 178.31 176.26 1pgz n GLU 24 N -4.33 3.11 -3.25 6.09 0.28 -1.26 -4.63 120.64 116.65 1pgz n GLU 24 Ca 0.16 -2.43 -0.39 0.00 -0.16 0.00 0.00 57.16 54.34 1pgz n GLU 24 Cb 0.82 -2.02 -0.06 0.00 1.43 0.00 0.00 31.44 31.61 1pgz n GLU 24 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1pgz s THR 25 N -2.48 5.01 0.13 3.84 2.01 -0.10 -5.01 115.64 119.03 1pgz s THR 25 Ca 0.44 1.15 0.09 0.00 0.31 0.00 0.00 61.69 63.67 1pgz s THR 25 Cb 0.35 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 1pgz s THR 25 CO 0.11 0.39 -0.21 0.42 -0.69 0.00 0.00 174.62 174.64 1pgz s THR 26 N 0.02 1.87 0.16 -0.82 -4.23 -1.26 -4.96 115.64 106.42 1pgz s THR 26 Ca 0.29 -1.72 0.01 0.00 -1.18 0.00 0.00 61.69 59.09 1pgz s THR 26 Cb -0.17 -1.75 0.22 0.00 1.34 0.00 0.00 72.50 72.14 1pgz s THR 26 CO 0.15 -0.12 0.82 0.47 -0.54 0.00 0.00 174.62 175.39 1pgz n ASP 27 N 0.76 -0.07 0.00 3.99 9.92 -1.26 -0.03 116.55 129.86 1pgz n ASP 27 Ca -0.17 0.89 0.00 0.00 -0.53 0.00 0.00 54.79 54.98 1pgz n ASP 27 Cb 0.55 -0.32 0.00 0.00 -0.64 0.00 0.00 41.12 40.71 1pgz n ASP 27 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1pgz n GLU 28 N -4.63 0.00 -0.26 -1.24 -0.58 -1.26 0.40 120.64 113.07 1pgz n GLU 28 Ca 0.12 0.51 0.07 0.00 -0.42 0.00 0.00 57.16 57.44 1pgz n GLU 28 Cb 0.39 -1.18 0.20 0.00 -0.57 0.00 0.00 31.44 30.28 1pgz n GLU 28 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1pgz h SER 29 N 0.00 0.09 -0.09 1.62 4.64 -0.84 0.14 113.55 119.11 1pgz h SER 29 Ca 0.00 0.14 0.04 0.00 -0.47 0.00 0.00 61.79 61.51 1pgz h SER 29 Cb 0.00 0.18 -0.06 0.00 -0.31 0.00 0.00 62.40 62.21 1pgz h SER 29 CO 0.00 -0.02 -0.33 0.25 -0.87 0.00 0.00 176.83 175.86 1pgz h LEU 30 N 0.31 -1.01 0.14 5.97 5.85 -0.64 -1.51 115.31 124.42 1pgz h LEU 30 Ca 0.44 0.14 0.02 0.00 0.84 0.00 0.00 57.88 59.31 1pgz h LEU 30 Cb 0.75 0.42 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 1pgz h LEU 30 CO -0.50 -0.37 -0.29 -0.09 -0.34 0.00 0.00 178.44 176.85 1pgz h ARG 31 N -0.43 -0.50 -1.04 1.25 2.43 0.18 -2.26 114.38 114.01 1pgz h ARG 31 Ca 0.08 0.03 0.29 0.00 -0.81 0.00 0.00 59.98 59.58 1pgz h ARG 31 Cb 0.56 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.17 1pgz h ARG 31 CO -0.33 -0.33 0.73 1.03 -1.51 0.00 0.00 179.97 179.56 1pgz h SER 32 N -0.52 0.12 0.00 -3.80 0.87 -0.29 -1.53 113.55 108.40 1pgz h SER 32 Ca 0.02 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1pgz h SER 32 Cb 0.54 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1pgz h SER 32 CO -0.15 0.03 -0.03 -0.74 -0.53 0.00 0.00 176.83 175.40 1pgz h HIS 33 N 0.11 0.00 0.00 2.24 -0.00 -0.74 -3.38 115.15 113.38 1pgz h HIS 33 Ca 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.89 1pgz h HIS 33 Cb 1.85 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.26 1pgz h HIS 33 CO -0.00 0.11 0.00 1.19 -0.00 0.00 0.00 177.93 179.23 1pgz n PHE 34 N -4.75 0.00 0.47 5.26 3.72 -0.94 -2.58 117.46 118.63 1pgz n PHE 34 Ca -0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.51 1pgz n PHE 34 Cb 0.06 -0.38 0.47 0.00 -0.94 0.00 0.00 39.48 38.69 1pgz n PHE 34 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1pgz n GLU 35 N -1.38 0.21 0.10 -1.08 1.02 -0.59 -2.63 120.64 116.28 1pgz n GLU 35 Ca 0.07 0.36 0.14 0.00 -0.02 0.00 0.00 57.16 57.71 1pgz n GLU 35 Cb 0.18 -1.84 0.64 0.00 -0.02 0.00 0.00 31.44 30.39 1pgz n GLU 35 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1pgz h GLN 36 N 0.00 0.06 -0.60 3.49 4.20 -1.73 -1.62 115.11 118.91 1pgz h GLN 36 Ca 0.00 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pgz h GLN 36 Cb 0.47 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1pgz h GLN 36 CO 0.00 0.04 0.00 0.91 -0.67 0.00 0.00 178.83 179.11 1pgz n TRP 37 N -4.46 1.20 0.00 2.96 8.01 -1.08 -5.05 117.44 119.02 1pgz n TRP 37 Ca 0.04 -0.59 0.00 0.00 -1.31 0.00 0.00 57.50 55.64 1pgz n TRP 37 Cb 0.35 -0.16 0.00 0.00 -2.01 0.00 0.00 31.31 29.49 1pgz n TRP 37 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1pgz n GLY 38 N 1.05 0.68 3.63 6.99 0.00 -0.61 -4.76 105.19 112.17 1pgz n GLY 38 Ca 0.23 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 1pgz n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pgz s THR 39 N -1.43 4.63 0.41 2.61 2.01 -1.26 -4.38 115.64 118.23 1pgz s THR 39 Ca 0.00 1.55 -0.14 0.00 0.31 0.00 0.00 61.69 63.42 1pgz s THR 39 Cb 0.00 -4.31 -0.08 0.00 0.01 0.00 0.00 72.50 68.12 1pgz s THR 39 CO 0.00 -0.37 0.82 -0.76 -0.69 0.00 0.00 174.62 173.62 1pgz s LEU 40 N 3.36 3.84 0.00 4.42 1.43 -1.26 -1.38 118.68 129.09 1pgz s LEU 40 Ca 0.40 1.30 0.00 0.00 -1.03 0.00 0.00 54.13 54.81 1pgz s LEU 40 Cb -0.13 -4.18 0.00 0.00 0.03 0.00 0.00 46.19 41.91 1pgz s LEU 40 CO 0.14 -0.40 0.32 0.35 0.23 0.00 0.00 176.35 176.99 1pgz n THR 41 N -1.12 0.00 -3.59 5.49 -2.24 0.57 -4.84 114.28 108.55 1pgz n THR 41 Ca 0.04 -0.37 -0.12 0.00 -2.27 0.00 0.00 64.05 61.32 1pgz n THR 41 Cb 0.54 1.22 -0.06 0.00 -2.10 0.00 0.00 70.33 69.92 1pgz n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pgz s ASP 42 N -0.11 -0.51 -0.30 3.42 2.15 -1.20 -4.97 116.67 115.15 1pgz s ASP 42 Ca 0.00 0.75 -0.07 0.00 0.43 0.00 0.00 52.55 53.66 1pgz s ASP 42 Cb 0.00 0.67 0.19 0.00 -0.30 0.00 0.00 42.92 43.48 1pgz s ASP 42 CO 0.00 -0.34 0.88 0.00 -0.17 0.00 0.00 175.17 175.54 1pgz s VAL 44 N 2.91 0.51 -0.22 0.00 0.11 -0.60 -4.79 120.40 118.33 1pgz s VAL 44 Ca 0.14 -1.09 -0.06 0.00 -2.93 0.00 0.00 61.98 58.04 1pgz s VAL 44 Cb -0.08 -0.61 -0.03 0.00 -1.53 0.00 0.00 36.38 34.13 1pgz s VAL 44 CO -0.20 -0.40 0.04 -0.69 -3.33 0.00 0.00 175.10 170.52 1pgz s VAL 45 N -1.45 4.22 0.10 2.04 1.01 -1.26 -1.17 120.40 123.90 1pgz s VAL 45 Ca -0.10 -0.21 -0.25 0.00 0.00 0.00 0.00 61.98 61.41 1pgz s VAL 45 Cb -0.10 -2.94 -0.07 0.00 0.00 0.00 0.00 36.38 33.28 1pgz s VAL 45 CO 0.00 0.39 0.78 -0.04 0.00 0.00 0.00 175.10 176.24 1pgz s MET 46 N 1.18 4.54 0.16 2.72 1.00 -0.74 -4.94 119.30 123.22 1pgz s MET 46 Ca 0.04 1.13 -0.04 0.00 0.00 0.00 0.00 55.69 56.82 1pgz s MET 46 Cb -0.14 -3.32 -0.03 0.00 0.00 0.00 0.00 34.83 31.34 1pgz s MET 46 CO 0.02 0.41 0.17 -0.98 0.00 0.00 0.00 175.02 174.64 1pgz s ARG 47 N -0.55 1.09 0.02 2.03 1.70 -1.26 -0.93 118.95 121.05 1pgz s ARG 47 Ca 0.38 -1.39 -0.30 0.00 -0.47 0.00 0.00 55.73 53.94 1pgz s ARG 47 Cb -0.22 0.30 -0.07 0.00 -0.57 0.00 0.00 34.95 34.40 1pgz s ARG 47 CO 0.25 -0.36 1.56 0.34 -1.08 0.00 0.00 175.30 176.01 1pgz s ASP 48 N -3.05 6.70 0.53 -2.89 3.68 -0.28 -4.86 116.67 116.50 1pgz s ASP 48 Ca 0.25 2.31 0.38 0.00 2.13 0.00 0.00 52.55 57.62 1pgz s ASP 48 Cb 0.06 -2.56 1.56 0.00 -1.45 0.00 0.00 42.92 40.52 1pgz s ASP 48 CO 0.04 -0.83 1.74 -0.65 0.13 0.00 0.00 175.17 175.59 1pgz h PRO 49 N 8.34 0.03 0.00 4.34 0.11 -1.95 0.70 132.00 143.57 1pgz h PRO 49 Ca -0.40 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1pgz h PRO 49 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1pgz h PRO 49 CO 0.92 0.02 -0.38 0.09 -0.21 0.00 0.00 178.00 178.44 1pgz n ASN 50 N -4.19 1.15 0.00 -2.05 5.03 -1.26 -4.40 115.26 109.54 1pgz n ASN 50 Ca 0.31 0.43 0.09 0.00 0.87 0.00 0.00 54.58 56.28 1pgz n ASN 50 Cb 1.41 -0.72 0.42 0.00 -1.02 0.00 0.00 39.78 39.87 1pgz n ASN 50 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1pgz n THR 51 N -3.73 0.65 -0.78 3.41 -2.24 -1.19 -4.82 114.28 105.58 1pgz n THR 51 Ca -0.05 0.16 -0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1pgz n THR 51 Cb 0.20 -0.84 -0.00 0.00 -2.10 0.00 0.00 70.33 67.59 1pgz n THR 51 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1pgz n LYS 52 N -1.47 -1.99 -2.69 -0.78 4.76 0.24 -4.89 118.16 111.34 1pgz n LYS 52 Ca 0.05 0.39 -0.40 0.00 -2.87 0.00 0.00 58.31 55.48 1pgz n LYS 52 Cb 0.21 -4.42 -0.05 0.00 -1.84 0.00 0.00 35.03 28.93 1pgz n LYS 52 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1pgz s ARG 53 N -1.56 4.79 0.53 1.97 3.52 -1.25 -4.66 118.95 122.28 1pgz s ARG 53 Ca 0.00 1.55 -0.21 0.00 -0.13 0.00 0.00 55.73 56.94 1pgz s ARG 53 Cb 0.00 -3.27 -0.06 0.00 -1.56 0.00 0.00 34.95 30.05 1pgz s ARG 53 CO 0.00 0.41 1.12 0.45 -0.81 0.00 0.00 175.30 176.47 1pgz n SER 54 N 1.62 1.60 -1.00 -2.12 2.88 -1.26 -1.13 113.62 114.22 1pgz n SER 54 Ca -0.01 0.93 0.11 0.00 -1.33 0.00 0.00 58.87 58.57 1pgz n SER 54 Cb 0.47 -1.45 0.27 0.00 -0.75 0.00 0.00 64.21 62.75 1pgz n SER 54 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1pgz n ARG 55 N -0.67 2.28 -0.96 -1.46 1.74 -0.11 -4.76 116.66 112.73 1pgz n ARG 55 Ca 0.11 -1.96 0.00 0.00 -0.77 0.00 0.00 57.85 55.24 1pgz n ARG 55 Cb 0.44 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 1pgz n ARG 55 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pgz n GLY 56 N 1.40 0.45 3.34 -0.13 0.00 -1.26 -5.01 105.19 103.97 1pgz n GLY 56 Ca 0.19 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 1pgz n GLY 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1pgz s PHE 57 N -2.00 -0.28 0.35 1.61 -0.12 -1.26 -1.47 117.98 114.81 1pgz s PHE 57 Ca 0.00 0.06 -0.17 0.00 -0.05 0.00 0.00 56.93 56.78 1pgz s PHE 57 Cb 0.00 0.30 0.06 0.00 -0.63 0.00 0.00 43.02 42.76 1pgz s PHE 57 CO 0.00 -0.70 0.85 0.20 -0.05 0.00 0.00 175.22 175.52 1pgz s GLY 58 N -2.59 0.35 0.08 1.99 0.00 -0.41 -1.80 107.32 104.94 1pgz s GLY 58 Ca 0.01 -0.70 0.06 0.00 0.00 0.00 0.00 44.72 44.09 1pgz s GLY 58 CO -0.10 0.28 -0.17 -1.36 0.00 0.00 0.00 173.10 171.75 1pgz s PHE 59 N -2.17 1.43 0.00 1.90 0.40 -0.32 0.45 117.98 119.69 1pgz s PHE 59 Ca 0.17 -0.44 0.03 0.00 -0.60 0.00 0.00 56.93 56.09 1pgz s PHE 59 Cb -0.05 -0.80 -0.01 0.00 0.51 0.00 0.00 43.02 42.68 1pgz s PHE 59 CO 0.10 0.11 -0.10 0.14 0.70 0.00 0.00 175.22 176.18 1pgz s VAL 60 N -1.21 0.75 -0.05 -0.44 -7.23 -0.76 -1.55 120.40 109.90 1pgz s VAL 60 Ca 0.01 -0.50 0.01 0.00 -1.81 0.00 0.00 61.98 59.70 1pgz s VAL 60 Cb -0.10 -0.64 0.02 0.00 0.56 0.00 0.00 36.38 36.22 1pgz s VAL 60 CO 0.03 0.14 -0.05 -0.89 -0.31 0.00 0.00 175.10 174.02 1pgz s THR 61 N -0.36 0.61 0.47 5.32 2.01 -0.44 -0.11 115.64 123.15 1pgz s THR 61 Ca 0.02 -0.17 0.08 0.00 0.31 0.00 0.00 61.69 61.94 1pgz s THR 61 Cb -0.04 -0.62 0.03 0.00 0.01 0.00 0.00 72.50 71.88 1pgz s THR 61 CO -0.00 0.24 0.61 -0.31 -0.69 0.00 0.00 174.62 174.47 1pgz s TYR 62 N 0.89 2.29 -0.94 4.92 1.51 -0.48 0.21 117.35 125.75 1pgz s TYR 62 Ca -0.11 -0.54 0.28 0.00 -1.01 0.00 0.00 57.07 55.69 1pgz s TYR 62 Cb -0.14 -2.27 1.04 0.00 -0.11 0.00 0.00 41.96 40.47 1pgz s TYR 62 CO 0.01 -0.62 1.82 0.00 -1.11 0.00 0.00 175.55 175.65 1pgz n ALA 63 N -1.93 2.49 -3.07 3.71 0.00 -0.48 -4.63 120.51 116.60 1pgz n ALA 63 Ca 0.09 -0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.29 1pgz n ALA 63 Cb 0.60 -1.42 -0.08 0.00 0.00 0.00 0.00 19.45 18.56 1pgz n ALA 63 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1pgz s THR 64 N -3.02 0.08 0.12 0.00 -4.23 -1.26 -4.79 115.64 102.53 1pgz s THR 64 Ca 0.13 -0.64 0.20 0.00 -1.18 0.00 0.00 61.69 60.19 1pgz s THR 64 Cb 0.17 -0.79 0.15 0.00 1.34 0.00 0.00 72.50 73.37 1pgz s THR 64 CO 0.57 -0.35 1.72 -0.37 -0.54 0.00 0.00 174.62 175.65 1pgz h VAL 65 N 3.54 0.79 -0.70 2.29 -1.51 -1.89 -2.77 116.25 116.00 1pgz h VAL 65 Ca -0.31 -1.50 0.03 0.00 -1.23 0.00 0.00 66.70 63.69 1pgz h VAL 65 Cb 1.19 1.95 -0.04 0.00 -2.13 0.00 0.00 31.29 32.25 1pgz h VAL 65 CO 0.44 0.34 0.44 -0.08 -1.23 0.00 0.00 177.57 177.48 1pgz h GLU 66 N 0.00 0.85 -0.29 5.19 4.81 -1.95 -0.83 114.58 122.35 1pgz h GLU 66 Ca -0.00 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 1pgz h GLU 66 Cb 0.92 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 1pgz h GLU 66 CO 0.05 0.56 -0.12 0.93 -0.73 0.00 0.00 179.01 179.70 1pgz h GLU 67 N 0.87 0.49 -0.04 1.92 5.08 -1.80 -1.01 114.58 120.10 1pgz h GLU 67 Ca 0.28 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 58.36 1pgz h GLU 67 Cb -0.00 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1pgz h GLU 67 CO -0.10 0.61 -0.60 -0.24 -1.00 0.00 0.00 179.01 177.69 1pgz h VAL 68 N 0.46 1.40 -0.68 3.13 3.04 -1.30 -1.73 116.25 120.57 1pgz h VAL 68 Ca 0.09 -2.00 -0.08 0.00 -1.01 0.00 0.00 66.70 63.70 1pgz h VAL 68 Cb 0.48 2.04 -0.03 0.00 -2.01 0.00 0.00 31.29 31.77 1pgz h VAL 68 CO 0.03 0.58 0.10 0.44 -1.01 0.00 0.00 177.57 177.71 1pgz h ASP 69 N 0.10 1.08 -0.55 3.17 5.19 -0.59 -0.52 116.42 124.31 1pgz h ASP 69 Ca -0.01 -0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 1pgz h ASP 69 Cb 1.08 -0.29 -0.03 0.00 0.18 0.00 0.00 39.33 40.28 1pgz h ASP 69 CO 0.09 1.07 0.36 0.00 -3.12 0.00 0.00 179.24 177.63 1pgz h ALA 70 N 1.05 0.69 -0.52 3.45 0.00 -0.73 -1.31 119.26 121.88 1pgz h ALA 70 Ca 0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1pgz h ALA 70 Cb 0.45 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1pgz h ALA 70 CO 0.01 0.14 0.17 0.00 0.00 0.00 0.00 179.25 179.57 1pgz h ALA 71 N 1.20 0.68 -0.83 0.00 0.00 -0.81 -2.74 119.26 116.76 1pgz h ALA 71 Ca 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1pgz h ALA 71 Cb -0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 1pgz h ALA 71 CO -0.04 0.34 0.43 0.52 0.00 0.00 0.00 179.25 180.50 1pgz h MET 72 N 0.72 1.18 0.00 0.00 2.07 -0.82 0.10 114.93 118.17 1pgz h MET 72 Ca 0.17 -0.16 0.00 0.00 -2.07 0.00 0.00 59.70 57.64 1pgz h MET 72 Cb 0.27 -0.22 0.00 0.00 -1.87 0.00 0.00 31.60 29.78 1pgz h MET 72 CO -0.01 0.88 0.00 0.09 1.07 0.00 0.00 176.91 178.95 1pgz n ASN 73 N -4.36 0.25 -0.66 1.22 3.02 -0.52 -1.96 115.26 112.25 1pgz n ASN 73 Ca 0.08 0.58 0.11 0.00 -0.03 0.00 0.00 54.58 55.32 1pgz n ASN 73 Cb 0.12 -0.63 0.34 0.00 -0.61 0.00 0.00 39.78 39.00 1pgz n ASN 73 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pgz n ALA 74 N -1.61 2.50 -1.51 5.41 0.00 0.35 -4.93 120.51 120.71 1pgz n ALA 74 Ca 0.01 -0.60 -0.35 0.00 0.00 0.00 0.00 53.44 52.50 1pgz n ALA 74 Cb 0.11 -1.05 0.08 0.00 0.00 0.00 0.00 19.45 18.60 1pgz n ALA 74 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pgz s ARG 75 N -1.74 2.35 0.78 0.00 0.52 -0.83 -4.45 118.95 115.57 1pgz s ARG 75 Ca 0.33 1.86 -0.11 0.00 -0.52 0.00 0.00 55.73 57.29 1pgz s ARG 75 Cb 0.18 -1.85 0.06 0.00 0.52 0.00 0.00 34.95 33.86 1pgz s ARG 75 CO 0.27 -1.70 1.08 -2.14 0.02 0.00 0.00 175.30 172.83 1pgz s PRO 76 N -3.68 2.24 -0.14 3.54 0.02 -1.26 -5.12 135.00 130.60 1pgz s PRO 76 Ca 0.77 0.85 0.01 0.00 0.02 0.00 0.00 61.00 62.65 1pgz s PRO 76 Cb -0.32 -1.92 0.02 0.00 0.02 0.00 0.00 34.50 32.30 1pgz s PRO 76 CO 0.42 -1.56 -0.17 -1.01 -0.33 0.00 0.00 177.00 174.35 1pgz s HIS 77 N -3.05 2.29 -0.18 6.54 3.76 -1.26 -5.08 115.29 118.31 1pgz s HIS 77 Ca 0.60 -1.21 -0.03 0.00 -0.15 0.00 0.00 55.06 54.28 1pgz s HIS 77 Cb -0.15 -1.63 -0.01 0.00 1.11 0.00 0.00 32.58 31.90 1pgz s HIS 77 CO 0.55 -0.61 -0.07 0.21 -0.85 0.00 0.00 174.74 173.96 1pgz s LYS 78 N 1.15 3.40 -0.10 1.40 2.20 -1.26 -0.42 119.74 126.11 1pgz s LYS 78 Ca -0.01 -0.64 0.01 0.00 -0.36 0.00 0.00 55.97 54.97 1pgz s LYS 78 Cb -0.14 -2.87 0.02 0.00 -1.51 0.00 0.00 37.83 33.33 1pgz s LYS 78 CO -0.06 -0.03 -0.11 0.08 -0.36 0.00 0.00 175.35 174.88 1pgz s VAL 79 N 1.01 1.16 -1.30 4.02 1.01 -0.82 -4.73 120.40 120.74 1pgz s VAL 79 Ca -0.00 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 61.48 1pgz s VAL 79 Cb -0.15 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.13 1pgz s VAL 79 CO -0.00 0.38 1.14 0.47 0.00 0.00 0.00 175.10 177.08 1pgz n ASP 80 N 4.46 -5.90 -3.10 3.32 8.00 -1.26 -2.68 116.55 119.39 1pgz n ASP 80 Ca -0.17 -0.53 -0.16 0.00 0.71 0.00 0.00 54.79 54.64 1pgz n ASP 80 Cb 0.51 -4.91 0.08 0.00 -0.02 0.00 0.00 41.12 36.78 1pgz n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pgz n GLY 81 N -1.90 -0.26 3.23 0.44 0.00 -1.26 -4.93 105.19 100.51 1pgz n GLY 81 Ca -0.02 0.04 0.03 0.00 0.00 0.00 0.00 46.02 46.08 1pgz n GLY 81 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pgz s ARG 82 N -5.35 0.54 -0.08 1.61 6.06 -1.09 -5.07 118.95 115.56 1pgz s ARG 82 Ca 0.10 1.02 -0.35 0.00 -2.50 0.00 0.00 55.73 54.00 1pgz s ARG 82 Cb -0.04 0.58 -0.13 0.00 0.06 0.00 0.00 34.95 35.42 1pgz s ARG 82 CO 0.63 -0.51 1.81 0.28 -2.50 0.00 0.00 175.30 175.00 1pgz n VAL 83 N 5.43 0.45 -3.66 7.11 0.31 -1.26 -1.94 118.33 124.76 1pgz n VAL 83 Ca -0.03 -0.08 -0.22 0.00 -0.01 0.00 0.00 64.34 64.00 1pgz n VAL 83 Cb 0.51 -1.70 -0.04 0.00 -0.91 0.00 0.00 33.84 31.70 1pgz n VAL 83 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1pgz s VAL 84 N 3.47 2.55 -0.30 2.52 -7.23 0.44 -4.87 120.40 116.98 1pgz s VAL 84 Ca 0.91 -1.40 0.01 0.00 -1.81 0.00 0.00 61.98 59.70 1pgz s VAL 84 Cb -0.75 -2.95 0.09 0.00 0.56 0.00 0.00 36.38 33.32 1pgz s VAL 84 CO 0.52 0.00 0.04 -0.70 -0.31 0.00 0.00 175.10 174.64 1pgz s GLU 85 N -4.11 1.25 0.30 4.82 2.12 0.38 -4.41 118.70 119.05 1pgz s GLU 85 Ca 0.46 -1.32 -0.27 0.00 0.36 0.00 0.00 54.97 54.20 1pgz s GLU 85 Cb -0.02 -2.59 -0.10 0.00 0.26 0.00 0.00 34.13 31.68 1pgz s GLU 85 CO 0.27 -0.85 0.95 -2.14 -0.54 0.00 0.00 175.26 172.94 1pgz s PRO 86 N 1.30 4.64 0.15 4.30 0.02 -1.26 -0.29 135.00 143.86 1pgz s PRO 86 Ca 0.05 1.37 -0.07 0.00 0.02 0.00 0.00 61.00 62.38 1pgz s PRO 86 Cb -0.18 -2.91 -0.02 0.00 0.02 0.00 0.00 34.50 31.41 1pgz s PRO 86 CO -0.13 0.33 0.21 0.15 -0.33 0.00 0.00 177.00 177.22 1pgz s LYS 87 N -1.85 1.06 -0.06 5.54 1.02 0.78 -4.96 119.74 121.27 1pgz s LYS 87 Ca 0.48 -1.23 -0.30 0.00 0.02 0.00 0.00 55.97 54.94 1pgz s LYS 87 Cb -0.20 0.33 -0.03 0.00 -0.52 0.00 0.00 37.83 37.41 1pgz s LYS 87 CO 0.26 -0.36 1.21 1.03 -0.92 0.00 0.00 175.35 176.56 1pgz s ARG 88 N -3.98 4.35 0.17 1.68 1.81 -1.26 -0.85 118.95 120.87 1pgz s ARG 88 Ca 0.18 1.68 -0.32 0.00 -1.72 0.00 0.00 55.73 55.55 1pgz s ARG 88 Cb 0.05 -3.56 -0.12 0.00 -0.45 0.00 0.00 34.95 30.86 1pgz s ARG 88 CO -0.01 -0.46 1.75 0.00 -0.68 0.00 0.00 175.30 175.90 1pgz n ALA 89 N 5.25 2.46 -2.64 2.13 0.00 -1.09 -4.69 120.51 121.93 1pgz n ALA 89 Ca 0.11 0.38 -0.38 0.00 0.00 0.00 0.00 53.44 53.55 1pgz n ALA 89 Cb 0.46 -2.53 -0.11 0.00 0.00 0.00 0.00 19.45 17.27 1pgz n ALA 89 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pgz s VAL 90 N 1.66 5.18 0.19 0.00 1.01 -1.26 -4.90 120.40 122.28 1pgz s VAL 90 Ca 0.78 0.04 -0.27 0.00 0.00 0.00 0.00 61.98 62.53 1pgz s VAL 90 Cb -0.52 -3.51 -0.16 0.00 0.00 0.00 0.00 36.38 32.19 1pgz s VAL 90 CO 0.35 0.20 0.50 -1.54 0.00 0.00 0.00 175.10 174.61 1pgz n SER 91 N 5.05 -1.19 -0.27 3.32 3.41 -1.26 -4.45 113.62 118.23 1pgz n SER 91 Ca -0.14 1.09 -0.03 0.00 -0.26 0.00 0.00 58.87 59.52 1pgz n SER 91 Cb 0.51 -0.91 0.02 0.00 -0.26 0.00 0.00 64.21 63.57 1pgz n SER 91 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1pgz h ARG 92 N 0.97 -0.09 -0.41 4.33 3.08 -1.98 0.73 114.38 121.01 1pgz h ARG 92 Ca -0.27 0.01 0.09 0.00 0.07 0.00 0.00 59.98 59.87 1pgz h ARG 92 Cb 1.38 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 31.37 1pgz h ARG 92 CO 0.55 -0.06 -0.21 1.49 -1.07 0.00 0.00 179.97 180.67 1pgz h GLU 93 N -0.10 -0.13 0.00 0.04 4.81 -2.03 -0.98 114.58 116.21 1pgz h GLU 93 Ca 0.28 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.45 1pgz h GLU 93 Cb 0.57 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1pgz h GLU 93 CO -0.80 -0.08 -0.33 -0.44 -0.73 0.00 0.00 179.01 176.62 1pgz h ASP 94 N -0.13 0.00 0.00 1.04 3.32 -1.50 -1.82 116.42 117.32 1pgz h ASP 94 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1pgz h ASP 94 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1pgz h ASP 94 CO -0.49 0.33 0.03 0.28 -1.72 0.00 0.00 179.24 177.67 1pgz h SER 95 N 0.00 0.00 -0.30 6.45 0.02 0.50 0.22 113.55 120.44 1pgz h SER 95 Ca -0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 1pgz h SER 95 Cb 0.73 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 1pgz h SER 95 CO 0.04 0.00 -0.42 -0.61 -1.14 0.00 0.00 176.83 174.70 1pgz h GLN 96 N 0.00 0.87 -6.83 3.45 5.75 -1.21 -3.46 115.11 113.67 1pgz h GLN 96 Ca 0.00 -0.47 -0.57 0.00 -0.15 0.00 0.00 58.65 57.46 1pgz h GLN 96 Cb 0.05 0.02 0.14 0.00 1.07 0.00 0.00 27.48 28.76 1pgz h GLN 96 CO 0.00 1.12 0.39 0.54 -2.65 0.00 0.00 178.83 178.22 1pgz n ARG 97 N -4.04 1.60 -1.68 1.69 5.12 0.77 -4.87 116.66 115.25 1pgz n ARG 97 Ca -0.02 0.58 -0.52 0.00 -1.93 0.00 0.00 57.85 55.95 1pgz n ARG 97 Cb 0.56 -2.32 -0.06 0.00 -1.16 0.00 0.00 32.46 29.48 1pgz n ARG 97 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1pgz n PRO 98 N -0.31 1.61 -3.72 5.56 -0.02 -1.26 -3.14 135.00 133.71 1pgz n PRO 98 Ca 0.09 0.59 -0.23 0.00 -2.02 0.00 0.00 63.50 61.93 1pgz n PRO 98 Cb 0.42 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1pgz n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pgz n GLY 99 N 3.90 -1.25 0.00 -1.23 0.00 -1.26 -4.89 105.19 100.46 1pgz n GLY 99 Ca 0.23 0.62 0.06 0.00 0.00 0.00 0.00 46.02 46.93 1pgz n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pgz n ALA 100 N -2.45 3.36 0.92 4.61 0.00 -1.19 -4.45 120.51 121.31 1pgz n ALA 100 Ca -0.29 -0.32 0.09 0.00 0.00 0.00 0.00 53.44 52.93 1pgz n ALA 100 Cb 0.68 -0.42 -0.10 0.00 0.00 0.00 0.00 19.45 19.61 1pgz n ALA 100 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1pgz n HIS 101 N -1.36 0.00 -1.89 0.00 8.25 -1.26 -4.98 115.22 113.98 1pgz n HIS 101 Ca 0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.12 1pgz n HIS 101 Cb 0.20 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.35 1pgz n HIS 101 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 1pgz s LEU 102 N -2.85 3.58 -0.40 2.41 2.34 -1.26 -4.96 118.68 117.54 1pgz s LEU 102 Ca 0.08 2.35 -0.20 0.00 0.06 0.00 0.00 54.13 56.42 1pgz s LEU 102 Cb 0.15 -4.59 0.01 0.00 -0.56 0.00 0.00 46.19 41.20 1pgz s LEU 102 CO 0.76 -1.71 0.60 -0.89 -1.06 0.00 0.00 176.35 174.05 1pgz s THR 103 N -1.73 4.90 0.16 5.48 2.01 -1.26 -5.05 115.64 120.15 1pgz s THR 103 Ca 0.76 0.22 0.01 0.00 0.31 0.00 0.00 61.69 62.99 1pgz s THR 103 Cb -0.29 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 1pgz s THR 103 CO 0.36 -0.44 0.02 0.68 -0.69 0.00 0.00 174.62 174.55 1pgz s VAL 104 N 2.65 0.48 -0.60 3.82 -7.23 -1.26 -5.05 120.40 113.20 1pgz s VAL 104 Ca 0.21 -1.95 0.06 0.00 -1.81 0.00 0.00 61.98 58.49 1pgz s VAL 104 Cb -0.15 -2.09 0.02 0.00 0.56 0.00 0.00 36.38 34.72 1pgz s VAL 104 CO 0.16 -0.48 0.55 0.29 -0.31 0.00 0.00 175.10 175.32 1pgz n LYS 105 N -0.19 1.43 -4.81 4.82 5.02 -1.26 -4.40 118.16 118.77 1pgz n LYS 105 Ca -0.06 -0.60 -0.33 0.00 -2.02 0.00 0.00 58.31 55.29 1pgz n LYS 105 Cb 0.63 -1.01 -0.13 0.00 -0.02 0.00 0.00 35.03 34.51 1pgz n LYS 105 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1pgz s LYS 106 N -0.80 2.64 0.00 1.97 2.20 -1.26 -0.37 119.74 124.13 1pgz s LYS 106 Ca 0.06 -0.66 0.07 0.00 -0.36 0.00 0.00 55.97 55.08 1pgz s LYS 106 Cb 0.05 -2.45 -0.02 0.00 -1.51 0.00 0.00 37.83 33.89 1pgz s LYS 106 CO 0.12 0.60 -0.22 0.96 -0.36 0.00 0.00 175.35 176.44 1pgz s ILE 107 N -0.65 1.74 -0.05 5.43 -4.36 0.31 -1.06 121.20 122.56 1pgz s ILE 107 Ca 0.10 -1.03 -0.21 0.00 -0.26 0.00 0.00 60.65 59.25 1pgz s ILE 107 Cb -0.11 -1.47 -0.05 0.00 1.25 0.00 0.00 42.46 42.09 1pgz s ILE 107 CO 0.01 0.41 0.60 0.12 0.24 0.00 0.00 174.94 176.32 1pgz s PHE 108 N -0.60 3.61 -0.21 1.37 5.36 0.11 -1.88 117.98 125.73 1pgz s PHE 108 Ca 0.08 1.14 0.01 0.00 -0.96 0.00 0.00 56.93 57.21 1pgz s PHE 108 Cb -0.09 -2.65 0.05 0.00 -0.34 0.00 0.00 43.02 39.99 1pgz s PHE 108 CO 0.00 0.23 -0.10 0.08 -1.46 0.00 0.00 175.22 173.96 1pgz s VAL 109 N 0.31 1.74 -0.00 3.12 1.01 0.47 -1.15 120.40 125.89 1pgz s VAL 109 Ca 0.32 -1.14 0.05 0.00 0.00 0.00 0.00 61.98 61.22 1pgz s VAL 109 Cb -0.17 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1pgz s VAL 109 CO 0.16 0.12 -0.16 -0.83 0.00 0.00 0.00 175.10 174.39 1pgz s GLY 110 N 1.34 1.55 0.00 4.51 0.00 0.11 -0.18 107.32 114.65 1pgz s GLY 110 Ca -0.03 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.61 1pgz s GLY 110 CO -0.08 -0.92 0.00 0.61 0.00 0.00 0.00 173.10 172.71 1pgz n GLY 111 N 1.93 1.45 3.84 0.20 0.00 -0.20 -0.74 105.19 111.67 1pgz n GLY 111 Ca -0.16 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 1pgz n GLY 111 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1pgz s ILE 112 N -2.06 4.99 0.89 -0.61 -4.36 -0.59 -4.75 121.20 114.71 1pgz s ILE 112 Ca 0.00 0.75 -0.12 0.00 -0.26 0.00 0.00 60.65 61.03 1pgz s ILE 112 Cb 0.00 -3.71 0.10 0.00 1.25 0.00 0.00 42.46 40.09 1pgz s ILE 112 CO 0.00 0.43 0.93 0.29 0.24 0.00 0.00 174.94 176.83 1pgz n LYS 113 N 1.34 -0.24 -0.26 0.37 5.02 -1.26 -4.37 118.16 118.76 1pgz n LYS 113 Ca -0.10 -0.01 -0.02 0.00 -2.02 0.00 0.00 58.31 56.16 1pgz n LYS 113 Cb 0.52 -2.23 0.15 0.00 -0.02 0.00 0.00 35.03 33.46 1pgz n LYS 113 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1pgz h GLU 114 N -1.51 1.09 -0.01 1.97 4.39 -1.97 -1.99 114.58 116.54 1pgz h GLU 114 Ca -0.44 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.13 1pgz h GLU 114 Cb 1.28 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1pgz h GLU 114 CO 0.40 0.81 0.00 -0.40 -1.16 0.00 0.00 179.01 178.67 1pgz n ASP 115 N -4.34 0.27 -4.70 1.42 5.75 -1.26 -4.88 116.55 108.81 1pgz n ASP 115 Ca 0.08 -1.25 -0.44 0.00 -0.01 0.00 0.00 54.79 53.17 1pgz n ASP 115 Cb 0.11 -0.01 -0.03 0.00 -1.03 0.00 0.00 41.12 40.17 1pgz n ASP 115 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1pgz n THR 116 N -0.71 0.70 -4.57 2.12 -1.04 -0.75 -4.98 114.28 105.05 1pgz n THR 116 Ca 0.19 -0.18 -0.26 0.00 -2.04 0.00 0.00 64.05 61.77 1pgz n THR 116 Cb 0.13 -1.69 -0.11 0.00 -1.82 0.00 0.00 70.33 66.85 1pgz n THR 116 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1pgz s GLU 117 N -0.04 1.86 0.26 -2.82 8.01 -1.26 -5.03 118.70 119.68 1pgz s GLU 117 Ca 0.69 -2.03 -0.03 0.00 0.01 0.00 0.00 54.97 53.62 1pgz s GLU 117 Cb -0.59 -1.48 0.39 0.00 -4.31 0.00 0.00 34.13 28.13 1pgz s GLU 117 CO 0.45 -0.04 1.89 0.93 0.01 0.00 0.00 175.26 178.50 1pgz h GLU 118 N 1.91 1.16 -0.36 1.61 5.08 -2.00 -1.40 114.58 120.58 1pgz h GLU 118 Ca -0.43 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 57.87 1pgz h GLU 118 Cb 1.24 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1pgz h GLU 118 CO 0.76 0.77 0.24 1.12 -1.00 0.00 0.00 179.01 180.90 1pgz h HIS 119 N 1.20 0.42 -0.82 4.33 2.07 -1.99 -1.00 115.15 119.35 1pgz h HIS 119 Ca 0.43 0.01 0.03 0.00 -2.85 0.00 0.00 60.37 57.99 1pgz h HIS 119 Cb 0.13 -0.14 -0.05 0.00 2.57 0.00 0.00 27.41 29.92 1pgz h HIS 119 CO -0.00 0.26 0.53 0.45 -3.07 0.00 0.00 177.93 176.09 1pgz h HIS 120 N 0.44 0.99 -0.20 6.12 3.86 -1.66 0.15 115.15 124.85 1pgz h HIS 120 Ca 0.14 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.26 1pgz h HIS 120 Cb 0.01 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.15 1pgz h HIS 120 CO -0.00 0.57 -0.32 -0.07 0.86 0.00 0.00 177.93 178.97 1pgz h LEU 121 N 1.03 0.62 -0.35 2.43 3.38 -1.23 -3.15 115.31 118.04 1pgz h LEU 121 Ca 0.33 -0.53 0.03 0.00 0.09 0.00 0.00 57.88 57.80 1pgz h LEU 121 Cb 0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1pgz h LEU 121 CO -0.11 1.03 0.16 0.03 0.09 0.00 0.00 178.44 179.64 1pgz h ARG 122 N 0.23 0.32 -0.96 1.13 3.08 -0.92 0.13 114.38 117.39 1pgz h ARG 122 Ca 0.02 -0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.16 1pgz h ARG 122 Cb 0.91 -0.07 -0.14 0.00 0.08 0.00 0.00 29.97 30.75 1pgz h ARG 122 CO 0.07 0.21 -0.47 -3.47 -1.07 0.00 0.00 179.97 175.24 1pgz n ASP 123 N -4.96 -0.82 0.02 7.04 -0.08 0.48 -1.50 116.55 116.73 1pgz n ASP 123 Ca 0.01 1.70 -0.21 0.00 -1.51 0.00 0.00 54.79 54.78 1pgz n ASP 123 Cb 0.09 -0.30 -0.14 0.00 2.34 0.00 0.00 41.12 43.11 1pgz n ASP 123 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1pgz h TYR 124 N 0.00 0.47 0.00 -0.67 3.20 -1.47 -3.40 116.97 115.09 1pgz h TYR 124 Ca 0.25 -0.34 -0.12 0.00 3.14 0.00 0.00 58.73 61.65 1pgz h TYR 124 Cb 0.49 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 1pgz h TYR 124 CO -0.92 1.45 -0.56 0.74 -1.64 0.00 0.00 178.16 177.23 1pgz h PHE 125 N -0.36 0.00 -0.80 -3.82 0.04 -0.54 -3.33 116.94 108.14 1pgz h PHE 125 Ca -0.24 0.00 0.15 0.00 2.80 0.00 0.00 57.97 60.69 1pgz h PHE 125 Cb 1.70 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.79 1pgz h PHE 125 CO 0.16 0.56 0.53 0.93 -0.60 0.00 0.00 178.31 179.88 1pgz h GLU 126 N 0.00 0.46 0.00 1.51 5.08 -1.46 -1.33 114.58 118.83 1pgz h GLU 126 Ca -0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1pgz h GLU 126 Cb 1.16 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1pgz h GLU 126 CO 0.07 0.30 0.11 0.00 -1.00 0.00 0.00 179.01 178.50 1pgz n GLN 127 N -4.50 0.07 -0.00 2.33 10.64 -1.25 -1.16 117.38 123.51 1pgz n GLN 127 Ca 0.15 0.53 0.10 0.00 -1.83 0.00 0.00 57.00 55.96 1pgz n GLN 127 Cb 0.53 -1.85 -0.13 0.00 -0.86 0.00 0.00 30.24 27.93 1pgz n GLN 127 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1pgz n TYR 128 N -1.87 0.00 0.00 2.61 4.02 -0.50 -5.08 117.16 116.34 1pgz n TYR 128 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1pgz n TYR 128 Cb 0.13 -0.19 0.00 0.00 -0.02 0.00 0.00 39.34 39.26 1pgz n TYR 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pgz n GLY 129 N 1.41 2.73 3.69 2.72 0.00 -0.31 -4.54 105.19 110.90 1pgz n GLY 129 Ca 0.01 -1.23 -0.52 0.00 0.00 0.00 0.00 46.02 44.28 1pgz n GLY 129 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pgz n LYS 130 N -1.31 1.79 -3.12 1.61 3.00 -1.26 -4.64 118.16 114.24 1pgz n LYS 130 Ca 0.00 0.66 -0.39 0.00 -0.00 0.00 0.00 58.31 58.57 1pgz n LYS 130 Cb 0.00 -2.45 -0.05 0.00 0.00 0.00 0.00 35.03 32.53 1pgz n LYS 130 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1pgz s ILE 131 N 3.96 4.95 -0.14 3.15 1.01 -1.26 -2.82 121.20 130.05 1pgz s ILE 131 Ca 0.95 1.36 0.09 0.00 0.00 0.00 0.00 60.65 63.05 1pgz s ILE 131 Cb -0.83 -3.99 -0.15 0.00 0.01 0.00 0.00 42.46 37.50 1pgz s ILE 131 CO 0.57 0.34 -0.01 -0.62 0.00 0.00 0.00 174.94 175.22 1pgz n GLU 132 N 3.21 1.47 -3.74 2.79 -0.58 0.71 -4.96 120.64 119.53 1pgz n GLU 132 Ca -0.04 0.02 -0.13 0.00 -0.42 0.00 0.00 57.16 56.59 1pgz n GLU 132 Cb 0.51 -1.33 -0.10 0.00 -0.57 0.00 0.00 31.44 29.95 1pgz n GLU 132 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1pgz s VAL 133 N -2.32 0.01 -0.04 2.62 1.01 -1.14 -4.96 120.40 115.57 1pgz s VAL 133 Ca -0.11 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1pgz s VAL 133 Cb 0.04 -0.57 0.01 0.00 0.00 0.00 0.00 36.38 35.87 1pgz s VAL 133 CO 0.49 -0.04 -0.08 -0.63 0.00 0.00 0.00 175.10 174.84 1pgz s ILE 134 N -0.07 0.79 -0.16 2.22 1.01 -1.26 -0.34 121.20 123.39 1pgz s ILE 134 Ca -0.02 -0.32 -0.05 0.00 0.00 0.00 0.00 60.65 60.26 1pgz s ILE 134 Cb -0.03 -0.73 0.06 0.00 0.01 0.00 0.00 42.46 41.77 1pgz s ILE 134 CO 0.01 0.26 0.09 -1.61 0.00 0.00 0.00 174.94 173.69 1pgz s GLU 135 N 0.50 0.05 -0.66 2.79 2.02 0.24 -4.99 118.70 118.66 1pgz s GLU 135 Ca -0.08 -0.04 -0.19 0.00 0.02 0.00 0.00 54.97 54.67 1pgz s GLU 135 Cb -0.12 -1.72 0.11 0.00 0.10 0.00 0.00 34.13 32.50 1pgz s GLU 135 CO 0.01 -0.64 0.81 0.42 0.02 0.00 0.00 175.26 175.88 1pgz s ILE 136 N 2.14 4.76 0.22 -1.63 1.01 -1.26 -1.40 121.20 125.04 1pgz s ILE 136 Ca 0.02 -1.02 -0.31 0.00 0.00 0.00 0.00 60.65 59.34 1pgz s ILE 136 Cb -0.16 -4.56 -0.11 0.00 0.01 0.00 0.00 42.46 37.64 1pgz s ILE 136 CO -0.08 -1.23 1.66 -0.04 0.00 0.00 0.00 174.94 175.24 1pgz s MET 137 N 2.82 4.15 0.32 2.79 -1.94 -1.11 -4.95 119.30 121.38 1pgz s MET 137 Ca 0.16 2.54 0.09 0.00 -1.71 0.00 0.00 55.69 56.77 1pgz s MET 137 Cb -0.20 -3.08 -0.06 0.00 2.01 0.00 0.00 34.83 33.50 1pgz s MET 137 CO 0.04 -0.69 -0.08 0.95 -0.01 0.00 0.00 175.02 175.23 1pgz s THR 138 N 0.89 2.05 0.40 2.05 -4.23 -1.26 -1.77 115.64 113.76 1pgz s THR 138 Ca 0.71 -2.18 -0.25 0.00 -1.18 0.00 0.00 61.69 58.79 1pgz s THR 138 Cb -0.48 -2.58 -0.09 0.00 1.34 0.00 0.00 72.50 70.69 1pgz s THR 138 CO 0.35 -0.23 1.13 -0.62 -0.54 0.00 0.00 174.62 174.71 1pgz s ASP 139 N -3.56 6.61 0.03 3.99 -1.08 0.31 -4.86 116.67 118.12 1pgz s ASP 139 Ca 0.32 2.24 -0.30 0.00 -0.52 0.00 0.00 52.55 54.28 1pgz s ASP 139 Cb 0.03 -2.60 -0.06 0.00 -1.46 0.00 0.00 42.92 38.83 1pgz s ASP 139 CO 0.15 -0.60 1.33 -0.13 0.52 0.00 0.00 175.17 176.44 1pgz s ARG 140 N -2.33 4.33 0.00 4.34 0.52 -1.26 -0.81 118.95 123.73 1pgz s ARG 140 Ca 0.57 1.91 0.00 0.00 -0.52 0.00 0.00 55.73 57.69 1pgz s ARG 140 Cb -0.28 -3.47 0.00 0.00 0.52 0.00 0.00 34.95 31.73 1pgz s ARG 140 CO 0.35 -0.47 0.00 0.41 0.02 0.00 0.00 175.30 175.61 1pgz n GLY 141 N 3.49 1.38 0.12 -3.53 0.00 -1.26 -4.54 105.19 100.85 1pgz n GLY 141 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 1pgz n GLY 141 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1pgz h SER 142 N 0.00 0.54 0.00 1.61 0.87 -1.96 -3.47 113.55 111.14 1pgz h SER 142 Ca 0.00 -0.92 0.00 0.00 -1.23 0.00 0.00 61.79 59.64 1pgz h SER 142 Cb 0.00 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.79 1pgz h SER 142 CO 0.00 1.42 0.00 0.61 -0.53 0.00 0.00 176.83 178.33 1pgz n GLY 143 N 1.59 0.91 3.76 5.77 0.00 0.01 -4.96 105.19 112.27 1pgz n GLY 143 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 1pgz n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pgz s LYS 144 N -0.06 4.50 0.37 1.61 -0.14 -1.26 -4.58 119.74 120.18 1pgz s LYS 144 Ca 0.00 1.78 -0.27 0.00 -1.36 0.00 0.00 55.97 56.12 1pgz s LYS 144 Cb 0.00 -3.03 -0.09 0.00 -1.68 0.00 0.00 37.83 33.02 1pgz s LYS 144 CO 0.00 0.09 1.30 0.15 -0.76 0.00 0.00 175.35 176.13 1pgz s LYS 145 N -1.71 4.16 0.00 1.68 3.01 -1.26 0.12 119.74 125.73 1pgz s LYS 145 Ca 0.48 2.17 0.24 0.00 -1.01 0.00 0.00 55.97 57.85 1pgz s LYS 145 Cb -0.31 -2.90 0.24 0.00 -1.01 0.00 0.00 37.83 33.86 1pgz s LYS 145 CO 0.39 -0.34 1.29 0.54 0.51 0.00 0.00 175.35 177.74 1pgz n ARG 146 N 0.44 2.37 -1.62 1.68 1.74 -0.73 -4.79 116.66 115.75 1pgz n ARG 146 Ca 0.02 -2.01 -0.08 0.00 -0.77 0.00 0.00 57.85 55.01 1pgz n ARG 146 Cb 0.43 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.37 1pgz n ARG 146 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pgz n GLY 147 N 1.38 0.59 3.64 -0.13 0.00 -1.26 -4.97 105.19 104.45 1pgz n GLY 147 Ca 0.15 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 1pgz n GLY 147 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1pgz s PHE 148 N -2.34 -0.24 0.30 1.61 -0.12 -1.26 -1.04 117.98 114.90 1pgz s PHE 148 Ca 0.00 -0.12 -0.14 0.00 -0.05 0.00 0.00 56.93 56.62 1pgz s PHE 148 Cb 0.00 0.56 0.02 0.00 -0.63 0.00 0.00 43.02 42.97 1pgz s PHE 148 CO 0.00 -1.04 0.61 0.00 -0.05 0.00 0.00 175.22 174.74 1pgz s ALA 149 N -3.87 -0.43 -0.03 1.99 0.00 0.74 -2.73 121.76 117.43 1pgz s ALA 149 Ca 0.08 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.28 1pgz s ALA 149 Cb -0.03 0.94 -0.01 0.00 0.00 0.00 0.00 23.12 24.02 1pgz s ALA 149 CO -0.01 -0.92 -0.17 -0.06 0.00 0.00 0.00 175.76 174.60 1pgz s PHE 150 N -3.45 1.62 -0.05 0.00 0.08 -0.49 -0.39 117.98 115.29 1pgz s PHE 150 Ca 0.19 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.86 1pgz s PHE 150 Cb -0.03 -1.07 0.02 0.00 -0.57 0.00 0.00 43.02 41.37 1pgz s PHE 150 CO 0.11 -0.11 -0.08 0.08 -0.10 0.00 0.00 175.22 175.13 1pgz s VAL 151 N -0.14 0.80 0.04 -0.44 1.01 -0.79 -0.59 120.40 120.29 1pgz s VAL 151 Ca 0.01 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.76 1pgz s VAL 151 Cb -0.09 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1pgz s VAL 151 CO 0.01 0.28 -0.07 -0.89 0.00 0.00 0.00 175.10 174.43 1pgz s THR 152 N 0.84 3.59 0.46 3.92 2.01 0.54 -0.53 115.64 126.46 1pgz s THR 152 Ca -0.12 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 60.96 1pgz s THR 152 Cb -0.15 -2.61 -0.02 0.00 0.01 0.00 0.00 72.50 69.73 1pgz s THR 152 CO 0.01 0.28 0.06 -0.36 -0.69 0.00 0.00 174.62 173.93 1pgz s PHE 153 N -1.09 1.86 -0.05 4.92 0.40 0.50 -0.21 117.98 124.32 1pgz s PHE 153 Ca 0.19 -1.08 0.07 0.00 -0.60 0.00 0.00 56.93 55.51 1pgz s PHE 153 Cb -0.11 -1.42 -0.24 0.00 0.51 0.00 0.00 43.02 41.76 1pgz s PHE 153 CO 0.10 0.01 0.65 -0.44 0.70 0.00 0.00 175.22 176.25 1pgz h ASP 154 N 1.57 0.11 -3.49 1.36 3.45 -1.83 -3.45 116.42 114.14 1pgz h ASP 154 Ca -0.40 -0.23 -0.68 0.00 0.43 0.00 0.00 57.03 56.15 1pgz h ASP 154 Cb 1.29 -0.04 -0.18 0.00 -0.56 0.00 0.00 39.33 39.85 1pgz h ASP 154 CO 0.67 1.21 -0.66 -0.62 -1.57 0.00 0.00 179.24 178.26 1pgz s ASP 155 N -6.38 4.88 0.50 6.45 -1.08 -1.26 -4.99 116.67 114.78 1pgz s ASP 155 Ca -0.08 0.02 0.29 0.00 -0.52 0.00 0.00 52.55 52.26 1pgz s ASP 155 Cb 0.08 -1.37 0.97 0.00 -1.46 0.00 0.00 42.92 41.14 1pgz s ASP 155 CO 0.82 0.34 1.84 1.12 0.52 0.00 0.00 175.17 179.80 1pgz h HIS 156 N 5.43 0.00 0.00 -5.34 2.07 -1.91 -2.75 115.15 112.66 1pgz h HIS 156 Ca -0.47 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 56.95 1pgz h HIS 156 Cb 1.18 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.15 1pgz h HIS 156 CO 0.58 0.04 -0.49 0.22 -3.07 0.00 0.00 177.93 175.22 1pgz h ASP 157 N 0.00 0.00 -0.59 3.10 3.58 -1.94 -2.35 116.42 118.22 1pgz h ASP 157 Ca -0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 1pgz h ASP 157 Cb 0.71 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.73 1pgz h ASP 157 CO 0.01 0.49 0.25 0.28 -2.88 0.00 0.00 179.24 177.38 1pgz h SER 158 N 0.00 0.83 -0.18 2.28 0.02 -1.72 0.27 113.55 115.05 1pgz h SER 158 Ca -0.00 -0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.76 1pgz h SER 158 Cb 0.87 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 1pgz h SER 158 CO 0.06 0.75 -0.15 0.58 -1.14 0.00 0.00 176.83 176.93 1pgz h VAL 159 N 0.90 1.33 -0.66 2.27 2.07 -1.58 -3.02 116.25 117.56 1pgz h VAL 159 Ca 0.21 -1.29 -0.05 0.00 0.82 0.00 0.00 66.70 66.39 1pgz h VAL 159 Cb 0.18 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 1pgz h VAL 159 CO -0.02 0.39 0.21 0.44 0.02 0.00 0.00 177.57 178.61 1pgz h ASP 160 N 0.09 0.93 0.06 0.57 3.32 -1.03 0.29 116.42 120.65 1pgz h ASP 160 Ca 0.03 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 1pgz h ASP 160 Cb 0.68 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 1pgz h ASP 160 CO 0.04 0.86 -0.01 0.11 -1.72 0.00 0.00 179.24 178.53 1pgz h LYS 161 N 0.97 0.00 0.00 3.56 1.57 -0.43 -2.98 116.57 119.26 1pgz h LYS 161 Ca 0.22 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.95 1pgz h LYS 161 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1pgz h LYS 161 CO -0.01 0.01 -0.76 -0.89 -0.57 0.00 0.00 179.45 177.22 1pgz n ILE 162 N -3.37 1.45 0.32 1.86 5.41 -0.40 -4.30 119.36 120.33 1pgz n ILE 162 Ca -0.03 0.15 0.17 0.00 1.00 0.00 0.00 62.75 64.05 1pgz n ILE 162 Cb 0.09 -2.32 0.91 0.00 -0.71 0.00 0.00 39.64 37.61 1pgz n ILE 162 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 176.55 176.18 1pgz h VAL 163 N -1.00 0.04 0.00 1.39 -1.51 -0.96 0.69 116.25 114.91 1pgz h VAL 163 Ca -0.07 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 65.35 1pgz h VAL 163 Cb 0.74 0.75 -0.01 0.00 -2.13 0.00 0.00 31.29 30.64 1pgz h VAL 163 CO -0.04 0.00 -0.36 0.16 -1.23 0.00 0.00 177.57 176.10 1pgz h ILE 164 N 0.00 0.37 -4.22 7.19 -0.00 -1.73 -3.45 117.51 115.67 1pgz h ILE 164 Ca 0.01 -1.53 -0.49 0.00 -0.00 0.00 0.00 64.86 62.86 1pgz h ILE 164 Cb 0.53 2.13 0.04 0.00 -0.00 0.00 0.00 36.82 39.52 1pgz h ILE 164 CO -0.00 0.21 0.38 -1.10 -0.00 0.00 0.00 178.15 177.64 1pgz s GLN 165 N -3.11 3.61 -0.10 0.16 -1.52 0.23 -5.00 119.66 113.94 1pgz s GLN 165 Ca 0.05 1.03 0.06 0.00 -1.95 0.00 0.00 55.36 54.54 1pgz s GLN 165 Cb 0.07 -2.08 -0.24 0.00 -0.22 0.00 0.00 33.01 30.53 1pgz s GLN 165 CO 0.72 -0.56 0.45 1.17 -0.25 0.00 0.00 175.29 176.82 1pgz n LYS 166 N -1.97 0.68 -4.52 2.91 4.81 -1.26 -4.96 118.16 113.86 1pgz n LYS 166 Ca 0.07 0.25 -0.29 0.00 -0.87 0.00 0.00 58.31 57.47 1pgz n LYS 166 Cb 0.54 -1.72 -0.13 0.00 0.02 0.00 0.00 35.03 33.73 1pgz n LYS 166 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1pgz s TYR 167 N -2.57 2.37 -0.13 5.64 2.02 -1.26 -4.96 117.35 118.45 1pgz s TYR 167 Ca -0.13 -0.36 -0.05 0.00 -0.37 0.00 0.00 57.07 56.16 1pgz s TYR 167 Cb 0.07 -1.32 0.07 0.00 -0.40 0.00 0.00 41.96 40.38 1pgz s TYR 167 CO 0.79 0.29 0.27 -1.01 -1.57 0.00 0.00 175.55 174.33 1pgz s HIS 168 N -1.00 -0.45 -0.30 2.71 3.76 -1.26 -5.05 115.29 113.71 1pgz s HIS 168 Ca 0.14 1.01 -0.11 0.00 -0.15 0.00 0.00 55.06 55.96 1pgz s HIS 168 Cb -0.10 -0.01 -0.03 0.00 1.11 0.00 0.00 32.58 33.55 1pgz s HIS 168 CO 0.06 -0.36 0.17 0.99 -0.85 0.00 0.00 174.74 174.75 1pgz s THR 169 N 2.40 4.96 -0.03 1.30 2.01 -1.26 -0.65 115.64 124.38 1pgz s THR 169 Ca 0.01 -0.14 0.04 0.00 0.31 0.00 0.00 61.69 61.91 1pgz s THR 169 Cb -0.12 -3.45 -0.01 0.00 0.01 0.00 0.00 72.50 68.93 1pgz s THR 169 CO -0.09 0.15 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.15 1pgz s VAL 170 N 1.69 1.24 -1.55 3.82 1.01 0.46 -4.78 120.40 122.29 1pgz s VAL 170 Ca 0.06 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 1pgz s VAL 170 Cb -0.16 -1.06 0.05 0.00 0.00 0.00 0.00 36.38 35.21 1pgz s VAL 170 CO 0.08 0.36 0.38 -3.20 0.00 0.00 0.00 175.10 172.73 1pgz n ASN 171 N 2.97 -0.65 0.00 3.32 5.15 -1.26 -1.46 115.26 123.32 1pgz n ASN 171 Ca -0.17 -1.11 0.00 0.00 -0.60 0.00 0.00 54.58 52.71 1pgz n ASN 171 Cb 0.54 -2.45 0.00 0.00 -0.53 0.00 0.00 39.78 37.33 1pgz n ASN 171 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pgz n GLY 172 N -1.97 1.77 3.21 8.20 0.00 -1.26 -4.92 105.19 110.22 1pgz n GLY 172 Ca -0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 1pgz n GLY 172 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pgz s HIS 173 N -3.43 0.41 0.49 1.61 3.76 -0.54 -5.11 115.29 112.49 1pgz s HIS 173 Ca 0.00 -0.83 -0.21 0.00 -0.15 0.00 0.00 55.06 53.86 1pgz s HIS 173 Cb 0.00 -0.19 -0.07 0.00 1.11 0.00 0.00 32.58 33.43 1pgz s HIS 173 CO 0.00 -0.56 1.13 1.21 -0.85 0.00 0.00 174.74 175.68 1pgz s ASN 174 N -2.93 6.04 0.04 1.40 2.47 -1.26 -0.41 114.94 120.29 1pgz s ASN 174 Ca 0.12 2.21 -0.01 0.00 0.42 0.00 0.00 52.86 55.60 1pgz s ASN 174 Cb 0.05 -2.59 -0.03 0.00 -1.45 0.00 0.00 41.25 37.24 1pgz s ASN 174 CO -0.06 -1.00 -0.01 0.00 -3.72 0.00 0.00 177.10 172.32 1pgz s GLU 176 N -2.70 4.08 -0.07 0.00 2.12 0.09 -4.18 118.70 118.04 1pgz s GLU 176 Ca -0.04 0.60 0.02 0.00 0.36 0.00 0.00 54.97 55.91 1pgz s GLU 176 Cb -0.01 -3.23 0.01 0.00 0.26 0.00 0.00 34.13 31.16 1pgz s GLU 176 CO -0.05 0.66 -0.13 0.08 -0.54 0.00 0.00 175.26 175.27 1pgz s VAL 177 N -1.07 1.22 0.04 3.70 1.01 -1.26 0.06 120.40 124.10 1pgz s VAL 177 Ca 0.27 -0.52 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 1pgz s VAL 177 Cb -0.18 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 1pgz s VAL 177 CO 0.17 0.38 -0.03 -0.13 0.00 0.00 0.00 175.10 175.48 1pgz s ARG 178 N 0.69 0.48 0.55 2.72 0.52 -0.30 -4.82 118.95 118.78 1pgz s ARG 178 Ca -0.14 -0.93 -0.21 0.00 -0.52 0.00 0.00 55.73 53.93 1pgz s ARG 178 Cb -0.16 0.14 -0.05 0.00 0.52 0.00 0.00 34.95 35.40 1pgz s ARG 178 CO 0.04 -0.08 1.27 1.63 0.02 0.00 0.00 175.30 178.18 1pgz n LYS 179 N 0.83 1.52 -2.67 3.54 5.02 -1.26 0.05 118.16 125.18 1pgz n LYS 179 Ca -0.19 0.56 -0.42 0.00 -2.02 0.00 0.00 58.31 56.25 1pgz n LYS 179 Cb 0.58 -2.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.09 1pgz n LYS 179 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pgz s ALA 180 N -1.32 3.23 -0.03 7.82 0.00 -0.22 -4.51 121.76 126.73 1pgz s ALA 180 Ca 0.72 0.61 0.07 0.00 0.00 0.00 0.00 51.96 53.35 1pgz s ALA 180 Cb -0.43 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.34 1pgz s ALA 180 CO 0.49 -0.18 -0.23 -0.51 0.00 0.00 0.00 175.76 175.33 1pgz s LEU 181 N 0.59 2.24 0.90 0.00 1.43 -1.26 -4.94 118.68 117.63 1pgz s LEU 181 Ca 0.51 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 53.10 1pgz s LEU 181 Cb -0.23 -1.40 0.13 0.00 0.03 0.00 0.00 46.19 44.72 1pgz s LEU 181 CO 0.29 0.33 1.11 -0.94 0.23 0.00 0.00 176.35 177.37 1pgz s SER 182 N -0.66 3.27 0.53 2.29 1.04 -1.26 -4.66 113.70 114.25 1pgz s SER 182 Ca 0.10 1.89 0.25 0.00 0.48 0.00 0.00 55.95 58.67 1pgz s SER 182 Cb -0.10 -2.46 1.39 0.00 0.10 0.00 0.00 66.02 64.95 1pgz s SER 182 CO -0.00 -2.83 2.00 0.50 0.98 0.00 0.00 173.24 173.89 1pgz h LYS 183 N -1.68 0.00 0.08 4.02 3.11 -1.99 0.61 116.57 120.71 1pgz h LYS 183 Ca -0.46 -0.00 -0.26 0.00 -2.81 0.00 0.00 60.65 57.11 1pgz h LYS 183 Cb 1.27 -0.00 0.02 0.00 -1.00 0.00 0.00 32.23 32.52 1pgz h LYS 183 CO 0.48 0.00 -1.08 1.96 -2.81 0.00 0.00 179.45 178.00 1pgz h GLN 184 N 0.00 0.59 -0.67 1.90 4.20 -2.00 -3.11 115.11 116.03 1pgz h GLN 184 Ca 0.24 -0.74 -0.06 0.00 0.06 0.00 0.00 58.65 58.14 1pgz h GLN 184 Cb 0.97 0.24 -0.03 0.00 0.30 0.00 0.00 27.48 28.96 1pgz h GLN 184 CO -0.00 1.32 0.17 0.93 -0.67 0.00 0.00 178.83 180.58 1pgz h GLU 185 N 0.20 1.07 -0.24 1.46 5.08 -1.39 -2.00 114.58 118.76 1pgz h GLU 185 Ca -0.16 -0.25 0.06 0.00 -1.00 0.00 0.00 59.36 58.01 1pgz h GLU 185 Cb 1.76 -0.14 -0.08 0.00 0.50 0.00 0.00 28.75 30.80 1pgz h GLU 185 CO 0.21 0.95 -0.40 0.52 -1.00 0.00 0.00 179.01 179.29 1pgz h MET 186 N 1.00 -0.39 -0.77 2.33 2.86 -1.02 0.17 114.93 119.11 1pgz h MET 186 Ca 0.21 0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.92 1pgz h MET 186 Cb 0.36 0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.06 1pgz h MET 186 CO 0.00 -0.26 0.51 0.00 1.06 0.00 0.00 176.91 178.22 1pgz h ALA 187 N 0.32 1.57 -0.12 6.32 0.00 -1.43 0.61 119.26 126.53 1pgz h ALA 187 Ca 0.11 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1pgz h ALA 187 Cb 0.59 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1pgz h ALA 187 CO -0.46 0.34 -0.45 0.77 0.00 0.00 0.00 179.25 179.45 1pgz h SER 188 N 0.91 0.31 0.54 0.00 0.02 -0.49 -3.16 113.55 111.68 1pgz h SER 188 Ca 0.32 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 1pgz h SER 188 Cb 0.11 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.56 1pgz h SER 188 CO -0.10 0.72 -0.26 0.00 -1.14 0.00 0.00 176.83 176.06 1pgz h ALA 189 N 1.29 -0.72 0.00 3.77 0.00 0.76 -3.51 119.26 120.85 1pgz h ALA 189 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1pgz h ALA 189 Cb 0.89 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1pgz h ALA 189 CO 0.07 -0.76 0.00 0.45 0.00 0.00 0.00 179.25 179.02