#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pgj s MET 2 N 0.00 2.59 0.12 4.33 0.00 0.58 -4.89 119.30 122.03 1pgj s MET 2 Ca 0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 55.69 54.87 1pgj s MET 2 Cb 0.00 -2.52 -0.07 0.00 0.00 0.00 0.00 34.83 32.25 1pgj s MET 2 CO 0.00 0.61 1.45 -0.44 0.00 0.00 0.00 175.02 176.64 1pgj h ASP 3 N 4.67 0.86 -4.55 1.11 3.32 -1.40 0.13 116.42 120.55 1pgj h ASP 3 Ca -0.48 -0.47 0.05 0.00 0.02 0.00 0.00 57.03 56.15 1pgj h ASP 3 Cb 1.17 -0.24 -0.19 0.00 0.22 0.00 0.00 39.33 40.29 1pgj h ASP 3 CO 0.53 1.14 0.42 0.54 -1.72 0.00 0.00 179.24 180.16 1pgj s VAL 4 N -4.39 0.00 0.24 -1.35 0.11 -0.88 -4.70 120.40 109.43 1pgj s VAL 4 Ca -0.12 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.02 1pgj s VAL 4 Cb 0.10 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.91 1pgj s VAL 4 CO 0.85 0.00 0.02 -0.83 -3.33 0.00 0.00 175.10 171.81 1pgj s GLY 5 N -1.69 1.64 -0.03 6.54 0.00 -0.71 -1.19 107.32 111.88 1pgj s GLY 5 Ca -0.01 -1.56 0.01 0.00 0.00 0.00 0.00 44.72 43.16 1pgj s GLY 5 CO -0.01 -1.61 -0.05 0.14 0.00 0.00 0.00 173.10 171.57 1pgj s VAL 6 N -2.14 0.54 -0.20 1.40 1.01 -0.05 -2.07 120.40 118.89 1pgj s VAL 6 Ca 0.30 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.12 1pgj s VAL 6 Cb -0.07 -0.53 0.04 0.00 0.00 0.00 0.00 36.38 35.81 1pgj s VAL 6 CO 0.20 0.20 -0.14 -0.69 0.00 0.00 0.00 175.10 174.68 1pgj s VAL 7 N 0.59 1.84 0.00 2.92 1.01 -0.77 -1.88 120.40 124.11 1pgj s VAL 7 Ca -0.08 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1pgj s VAL 7 Cb -0.11 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.45 1pgj s VAL 7 CO 0.00 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1pgj n GLY 8 N 4.64 1.85 2.83 4.51 0.00 -0.86 0.05 105.19 118.21 1pgj n GLY 8 Ca -0.17 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 1pgj n GLY 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pgj n LEU 9 N 0.00 4.92 0.00 0.99 4.77 -1.26 -4.33 117.00 122.09 1pgj n LEU 9 Ca 0.00 -5.56 0.00 0.00 -0.03 0.00 0.00 56.01 50.42 1pgj n LEU 9 Cb 0.00 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 1pgj n LEU 9 CO 0.00 2.29 0.00 0.61 -1.33 0.00 0.00 177.39 178.96 1pgj n GLY 10 N -0.28 -1.23 0.26 -0.72 0.00 -1.26 -4.36 105.19 97.60 1pgj n GLY 10 Ca 0.35 -1.36 -0.08 0.00 0.00 0.00 0.00 46.02 44.93 1pgj n GLY 10 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1pgj h VAL 11 N -0.18 1.23 -0.01 1.61 2.07 -1.96 -3.09 116.25 115.91 1pgj h VAL 11 Ca 0.00 -0.71 -0.19 0.00 0.82 0.00 0.00 66.70 66.62 1pgj h VAL 11 Cb 0.00 0.62 0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1pgj h VAL 11 CO 0.00 0.27 -0.73 0.24 0.02 0.00 0.00 177.57 177.37 1pgj h MET 12 N 0.79 0.52 0.49 1.57 2.86 -1.93 -3.29 114.93 115.94 1pgj h MET 12 Ca 0.19 -0.54 -0.01 0.00 -2.06 0.00 0.00 59.70 57.28 1pgj h MET 12 Cb 0.21 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1pgj h MET 12 CO -0.01 1.17 -0.46 0.78 1.06 0.00 0.00 176.91 179.45 1pgj h GLY 13 N 0.08 -1.13 0.52 8.32 0.00 -1.74 -1.95 103.07 107.16 1pgj h GLY 13 Ca -0.09 0.53 0.01 0.00 0.00 0.00 0.00 47.33 47.78 1pgj h GLY 13 CO 0.14 -0.36 -0.36 0.00 0.00 0.00 0.00 176.54 175.96 1pgj h ALA 14 N -0.71 -0.71 -0.75 3.60 0.00 -1.71 -1.30 119.26 117.67 1pgj h ALA 14 Ca -0.05 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.85 1pgj h ALA 14 Cb 0.82 0.55 -0.07 0.00 0.00 0.00 0.00 17.79 19.09 1pgj h ALA 14 CO -0.04 -0.95 0.40 -0.91 0.00 0.00 0.00 179.25 177.74 1pgj h ASN 15 N -0.68 0.54 0.04 0.00 2.35 -1.62 -0.38 115.58 115.82 1pgj h ASN 15 Ca -0.00 0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.73 1pgj h ASN 15 Cb 0.65 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 1pgj h ASN 15 CO -0.13 0.30 -0.22 0.25 -1.65 0.00 0.00 177.43 175.99 1pgj h LEU 16 N 0.67 0.31 0.67 1.61 5.85 -1.11 0.37 115.31 123.67 1pgj h LEU 16 Ca 0.37 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 1pgj h LEU 16 Cb 0.38 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.33 1pgj h LEU 16 CO -0.26 0.54 -0.32 0.00 -0.34 0.00 0.00 178.44 178.06 1pgj h ALA 17 N 1.49 -0.89 -0.81 1.25 0.00 0.09 0.23 119.26 120.61 1pgj h ALA 17 Ca 0.05 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1pgj h ALA 17 Cb 0.55 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1pgj h ALA 17 CO 0.04 -1.00 0.54 -0.07 0.00 0.00 0.00 179.25 178.76 1pgj h LEU 18 N -0.91 0.92 -0.08 0.00 3.38 -0.95 0.35 115.31 118.03 1pgj h LEU 18 Ca -0.09 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.89 1pgj h LEU 18 Cb 0.69 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1pgj h LEU 18 CO 0.15 0.66 -0.11 -1.13 0.09 0.00 0.00 178.44 178.10 1pgj h ASN 19 N 1.09 -0.33 -0.20 -0.43 -0.73 0.29 -1.43 115.58 113.83 1pgj h ASN 19 Ca 0.30 0.06 -0.05 0.00 1.87 0.00 0.00 56.30 58.48 1pgj h ASN 19 Cb -0.09 0.16 -0.01 0.00 0.27 0.00 0.00 38.32 38.65 1pgj h ASN 19 CO -0.07 -0.15 -0.08 0.40 -0.37 0.00 0.00 177.43 177.16 1pgj h ILE 20 N -0.15 1.30 -0.10 2.57 2.04 0.91 -3.00 117.51 121.08 1pgj h ILE 20 Ca 0.07 -1.11 -0.06 0.00 1.00 0.00 0.00 64.86 64.75 1pgj h ILE 20 Cb 0.24 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1pgj h ILE 20 CO -0.17 0.34 -0.23 0.00 0.00 0.00 0.00 178.15 178.10 1pgj h ALA 21 N 0.71 1.44 -0.28 1.87 0.00 -0.93 -1.79 119.26 120.28 1pgj h ALA 21 Ca 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1pgj h ALA 21 Cb 0.55 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1pgj h ALA 21 CO 0.03 0.40 0.10 1.49 0.00 0.00 0.00 179.25 181.26 1pgj h GLU 22 N 0.15 0.39 0.00 0.00 4.81 -1.12 -2.03 114.58 116.78 1pgj h GLU 22 Ca 0.03 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1pgj h GLU 22 Cb 0.49 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1pgj h GLU 22 CO 0.03 0.34 0.00 1.63 -0.73 0.00 0.00 179.01 180.28 1pgj n LYS 23 N -4.41 0.93 0.00 1.92 4.76 -0.68 -4.89 118.16 115.79 1pgj n LYS 23 Ca 0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1pgj n LYS 23 Cb 0.14 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.04 1pgj n LYS 23 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pgj n GLY 24 N 0.67 0.94 3.65 0.72 0.00 -0.76 -5.10 105.19 105.32 1pgj n GLY 24 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1pgj n GLY 24 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pgj s PHE 25 N -2.00 3.01 -0.01 1.61 0.40 -1.22 -5.06 117.98 114.72 1pgj s PHE 25 Ca 0.00 0.04 -0.27 0.00 -0.60 0.00 0.00 56.93 56.11 1pgj s PHE 25 Cb 0.00 -1.65 -0.04 0.00 0.51 0.00 0.00 43.02 41.84 1pgj s PHE 25 CO 0.00 0.43 0.84 0.15 0.70 0.00 0.00 175.22 177.34 1pgj s LYS 26 N -1.48 4.51 -0.22 0.44 3.01 -1.26 -4.02 119.74 120.72 1pgj s LYS 26 Ca 0.18 1.16 0.01 0.00 -1.01 0.00 0.00 55.97 56.31 1pgj s LYS 26 Cb -0.11 -3.43 0.05 0.00 -1.01 0.00 0.00 37.83 33.32 1pgj s LYS 26 CO 0.09 0.07 -0.10 0.08 0.51 0.00 0.00 175.35 176.01 1pgj s VAL 27 N 0.67 1.75 0.19 3.17 1.01 0.27 -1.01 120.40 126.44 1pgj s VAL 27 Ca 0.44 -1.21 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 1pgj s VAL 27 Cb -0.20 -1.87 -0.08 0.00 0.00 0.00 0.00 36.38 34.23 1pgj s VAL 27 CO 0.24 0.07 0.94 0.00 0.00 0.00 0.00 175.10 176.35 1pgj s ALA 28 N 1.32 3.31 0.06 5.51 0.00 -0.33 -1.99 121.76 129.63 1pgj s ALA 28 Ca -0.04 0.60 0.10 0.00 0.00 0.00 0.00 51.96 52.61 1pgj s ALA 28 Cb -0.18 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1pgj s ALA 28 CO -0.07 0.12 -0.26 0.08 0.00 0.00 0.00 175.76 175.63 1pgj s VAL 29 N -0.73 2.15 0.14 0.00 1.01 -0.23 -0.87 120.40 121.87 1pgj s VAL 29 Ca 0.43 -1.44 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 1pgj s VAL 29 Cb -0.25 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 1pgj s VAL 29 CO 0.31 0.33 0.20 0.12 0.00 0.00 0.00 175.10 176.06 1pgj s PHE 30 N -0.84 0.49 -0.11 5.22 2.19 -0.79 -1.01 117.98 123.14 1pgj s PHE 30 Ca 0.12 -0.87 -0.32 0.00 0.33 0.00 0.00 56.93 56.19 1pgj s PHE 30 Cb -0.10 -0.18 0.12 0.00 -1.31 0.00 0.00 43.02 41.55 1pgj s PHE 30 CO 0.03 -0.63 1.06 1.21 1.83 0.00 0.00 175.22 178.72 1pgj s ASN 31 N -2.97 -0.24 0.00 6.13 3.84 -1.26 -2.02 114.94 118.41 1pgj s ASN 31 Ca 0.17 0.01 0.00 0.00 0.21 0.00 0.00 52.86 53.24 1pgj s ASN 31 Cb 0.05 0.25 0.00 0.00 -0.55 0.00 0.00 41.25 41.00 1pgj s ASN 31 CO -0.02 -0.41 0.72 -2.11 -2.79 0.00 0.00 177.10 172.50 1pgj n ARG 32 N -0.14 0.00 -2.39 0.43 1.85 -1.26 -4.33 116.66 110.82 1pgj n ARG 32 Ca -0.04 0.28 -0.42 0.00 -1.00 0.00 0.00 57.85 56.68 1pgj n ARG 32 Cb 0.60 -1.22 -0.03 0.00 -1.05 0.00 0.00 32.46 30.76 1pgj n ARG 32 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1pgj s THR 33 N -1.87 3.82 0.35 8.89 2.01 -1.26 -4.84 115.64 122.73 1pgj s THR 33 Ca 0.00 0.72 0.26 0.00 0.31 0.00 0.00 61.69 62.99 1pgj s THR 33 Cb 0.00 -4.41 0.26 0.00 0.01 0.00 0.00 72.50 68.36 1pgj s THR 33 CO 0.00 -1.11 1.78 0.22 -0.69 0.00 0.00 174.62 174.82 1pgj h TYR 34 N 10.96 0.00 -0.18 4.92 3.20 -1.95 -1.15 116.97 132.77 1pgj h TYR 34 Ca -0.27 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.64 1pgj h TYR 34 Cb 1.09 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.33 1pgj h TYR 34 CO 1.02 0.00 -0.05 0.66 -1.64 0.00 0.00 178.16 178.16 1pgj h SER 35 N 0.00 -0.18 -0.97 -2.11 4.64 -1.95 -1.89 113.55 111.10 1pgj h SER 35 Ca 0.00 0.06 0.12 0.00 -0.47 0.00 0.00 61.79 61.50 1pgj h SER 35 Cb 0.44 0.12 -0.08 0.00 -0.31 0.00 0.00 62.40 62.56 1pgj h SER 35 CO 0.00 -0.06 0.61 0.11 -0.87 0.00 0.00 176.83 176.62 1pgj h LYS 36 N -0.00 0.90 -0.49 4.77 1.79 -1.61 0.30 116.57 122.22 1pgj h LYS 36 Ca 0.09 -0.05 -0.12 0.00 -2.18 0.00 0.00 60.65 58.38 1pgj h LYS 36 Cb 0.14 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 1pgj h LYS 36 CO -0.19 0.59 -0.16 0.77 -1.08 0.00 0.00 179.45 179.38 1pgj h SER 37 N 0.92 1.00 -0.15 0.86 0.02 -1.55 -1.41 113.55 113.24 1pgj h SER 37 Ca 0.48 -0.38 0.04 0.00 -0.84 0.00 0.00 61.79 61.09 1pgj h SER 37 Cb 0.52 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 1pgj h SER 37 CO -0.24 1.15 -0.10 -0.33 -1.14 0.00 0.00 176.83 176.17 1pgj h GLU 38 N 0.84 -0.10 0.00 3.45 4.39 -0.23 0.10 114.58 123.03 1pgj h GLU 38 Ca 0.12 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 1pgj h GLU 38 Cb 0.73 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1pgj h GLU 38 CO 0.06 -0.07 -0.07 1.49 -1.16 0.00 0.00 179.01 179.26 1pgj h GLU 39 N -0.10 0.00 0.04 2.33 4.81 -0.94 0.41 114.58 121.12 1pgj h GLU 39 Ca 0.09 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1pgj h GLU 39 Cb 0.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1pgj h GLU 39 CO -0.21 0.07 -0.02 0.35 -0.73 0.00 0.00 179.01 178.47 1pgj h PHE 40 N 0.00 -0.04 -0.73 0.92 3.57 -0.18 -2.37 116.94 118.11 1pgj h PHE 40 Ca -0.00 -0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.71 1pgj h PHE 40 Cb 0.13 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 1pgj h PHE 40 CO 0.00 -0.03 0.56 0.52 -2.23 0.00 0.00 178.31 177.13 1pgj h MET 41 N -0.09 0.00 0.00 1.11 2.86 -0.97 -1.91 114.93 115.92 1pgj h MET 41 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1pgj h MET 41 Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1pgj h MET 41 CO 0.01 0.00 0.00 1.17 1.06 0.00 0.00 176.91 179.15 1pgj n LYS 42 N -4.18 0.00 0.06 1.72 4.81 0.14 -1.41 118.16 119.30 1pgj n LYS 42 Ca 0.15 0.22 0.20 0.00 -0.87 0.00 0.00 58.31 58.00 1pgj n LYS 42 Cb 0.83 -1.08 0.73 0.00 0.02 0.00 0.00 35.03 35.53 1pgj n LYS 42 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pgj h ALA 43 N -1.96 2.27 -0.39 3.14 0.00 -1.04 -2.25 119.26 119.04 1pgj h ALA 43 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pgj h ALA 43 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1pgj h ALA 43 CO 0.00 -0.62 0.00 0.09 0.00 0.00 0.00 179.25 178.72 1pgj n ASN 44 N -4.05 4.64 0.27 0.00 3.02 -0.75 -4.65 115.26 113.74 1pgj n ASN 44 Ca 0.08 -2.99 0.17 0.00 -0.03 0.00 0.00 54.58 51.81 1pgj n ASN 44 Cb 0.58 -0.60 0.68 0.00 -0.61 0.00 0.00 39.78 39.84 1pgj n ASN 44 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pgj h ALA 45 N 2.69 1.00 0.00 5.41 0.00 -0.60 -3.08 119.26 124.68 1pgj h ALA 45 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1pgj h ALA 45 Cb 1.67 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 1pgj h ALA 45 CO 0.33 0.00 -0.99 0.66 0.00 0.00 0.00 179.25 179.25 1pgj h SER 46 N 0.00 0.00 -1.63 0.00 4.64 -1.84 -3.46 113.55 111.26 1pgj h SER 46 Ca 0.00 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.63 1pgj h SER 46 Cb 0.48 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.63 1pgj h SER 46 CO 0.00 0.03 0.32 0.00 -0.87 0.00 0.00 176.83 176.31 1pgj n ALA 47 N -2.19 -1.38 0.00 5.18 0.00 -1.17 -4.79 120.51 116.16 1pgj n ALA 47 Ca -0.00 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1pgj n ALA 47 Cb 0.56 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1pgj n ALA 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1pgj n PRO 48 N 2.13 0.00 -0.03 0.00 -0.04 -1.26 -1.12 135.00 134.67 1pgj n PRO 48 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1pgj n PRO 48 Cb 0.19 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1pgj n PRO 48 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1pgj n PHE 49 N -0.69 0.00 -0.13 0.54 1.16 -1.26 -4.81 117.46 112.28 1pgj n PHE 49 Ca 0.00 -0.20 0.26 0.00 -1.87 0.00 0.00 57.45 55.64 1pgj n PHE 49 Cb 0.00 -0.02 0.71 0.00 -1.61 0.00 0.00 39.48 38.55 1pgj n PHE 49 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1pgj h ALA 50 N 0.00 2.73 0.00 1.98 0.00 -1.41 0.48 119.26 123.04 1pgj h ALA 50 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pgj h ALA 50 Cb 0.86 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1pgj h ALA 50 CO 0.00 -0.95 0.00 0.41 0.00 0.00 0.00 179.25 178.71 1pgj n GLY 51 N -1.69 -0.50 0.64 0.00 0.00 -1.26 -0.90 105.19 101.48 1pgj n GLY 51 Ca 0.16 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.15 1pgj n GLY 51 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pgj n ASN 52 N -0.96 3.13 -4.12 1.61 3.02 0.17 -4.95 115.26 113.15 1pgj n ASN 52 Ca 0.11 -2.36 -0.26 0.00 -0.03 0.00 0.00 54.58 52.04 1pgj n ASN 52 Cb 0.05 -0.32 -0.16 0.00 -0.61 0.00 0.00 39.78 38.74 1pgj n ASN 52 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1pgj s LEU 53 N -1.65 1.90 -0.19 3.41 1.43 -0.08 0.97 118.68 124.47 1pgj s LEU 53 Ca 0.27 -0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 52.99 1pgj s LEU 53 Cb 0.19 -0.95 0.09 0.00 0.03 0.00 0.00 46.19 45.54 1pgj s LEU 53 CO 0.12 0.14 0.21 -0.75 0.23 0.00 0.00 176.35 176.30 1pgj s LYS 54 N 0.08 0.17 0.28 1.70 2.20 -0.84 -4.95 119.74 118.37 1pgj s LYS 54 Ca -0.05 0.24 -0.29 0.00 -0.36 0.00 0.00 55.97 55.51 1pgj s LYS 54 Cb -0.12 -1.12 -0.10 0.00 -1.51 0.00 0.00 37.83 34.99 1pgj s LYS 54 CO 0.02 -0.61 1.10 0.00 -0.36 0.00 0.00 175.35 175.50 1pgj s ALA 55 N 2.32 3.41 0.19 3.13 0.00 -1.26 -1.07 121.76 128.48 1pgj s ALA 55 Ca 0.06 0.90 0.11 0.00 0.00 0.00 0.00 51.96 53.03 1pgj s ALA 55 Cb -0.15 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1pgj s ALA 55 CO -0.11 -0.17 -0.20 -0.06 0.00 0.00 0.00 175.76 175.22 1pgj s PHE 56 N -1.13 2.39 0.00 0.00 0.40 -0.18 -4.89 117.98 114.57 1pgj s PHE 56 Ca 0.45 -0.32 0.00 0.00 -0.60 0.00 0.00 56.93 56.46 1pgj s PHE 56 Cb -0.32 -1.17 0.00 0.00 0.51 0.00 0.00 43.02 42.04 1pgj s PHE 56 CO 0.41 0.51 0.74 -1.91 0.70 0.00 0.00 175.22 175.67 1pgj n GLU 57 N 0.16 0.00 -4.36 0.44 2.13 -1.26 -4.71 120.64 113.04 1pgj n GLU 57 Ca -0.12 0.27 -0.19 0.00 0.66 0.00 0.00 57.16 57.79 1pgj n GLU 57 Cb 0.56 -1.24 -0.10 0.00 0.27 0.00 0.00 31.44 30.93 1pgj n GLU 57 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1pgj s THR 58 N -1.96 0.51 0.27 6.31 -4.23 -1.26 -4.99 115.64 110.29 1pgj s THR 58 Ca 0.00 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.79 1pgj s THR 58 Cb 0.00 -2.56 0.30 0.00 1.34 0.00 0.00 72.50 71.58 1pgj s THR 58 CO 0.00 0.00 1.98 -0.03 -0.54 0.00 0.00 174.62 176.03 1pgj h MET 59 N 2.22 0.00 -0.15 3.99 4.05 -1.98 0.19 114.93 123.25 1pgj h MET 59 Ca -0.36 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.07 1pgj h MET 59 Cb 1.25 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.04 1pgj h MET 59 CO 0.57 0.13 0.07 0.93 0.23 0.00 0.00 176.91 178.84 1pgj h GLU 60 N 0.00 0.15 0.53 0.39 3.07 -1.95 0.17 114.58 116.94 1pgj h GLU 60 Ca -0.00 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.82 1pgj h GLU 60 Cb 0.50 -0.03 0.01 0.00 -0.84 0.00 0.00 28.75 28.38 1pgj h GLU 60 CO 0.02 0.10 -0.25 0.00 -1.40 0.00 0.00 179.01 177.47 1pgj h ALA 61 N 1.08 -0.71 -0.69 3.43 0.00 -1.76 -1.72 119.26 118.89 1pgj h ALA 61 Ca 0.06 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 54.92 1pgj h ALA 61 Cb 0.01 0.28 -0.13 0.00 0.00 0.00 0.00 17.79 17.95 1pgj h ALA 61 CO -0.04 -0.70 -0.24 0.35 0.00 0.00 0.00 179.25 178.62 1pgj h PHE 62 N -1.12 -0.57 0.00 0.00 3.04 -0.93 0.86 116.94 118.22 1pgj h PHE 62 Ca -0.07 0.07 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1pgj h PHE 62 Cb 0.60 0.36 0.00 0.00 2.56 0.00 0.00 35.95 39.46 1pgj h PHE 62 CO 0.01 -0.34 0.00 0.00 -2.02 0.00 0.00 178.31 175.96 1pgj h ALA 63 N 1.49 1.00 0.09 2.41 0.00 -0.69 -2.89 119.26 120.67 1pgj h ALA 63 Ca 0.31 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1pgj h ALA 63 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1pgj h ALA 63 CO -0.73 0.00 -0.05 0.00 0.00 0.00 0.00 179.25 178.47 1pgj h ALA 64 N 2.09 -0.13 0.00 0.00 0.00 0.16 -3.34 119.26 118.05 1pgj h ALA 64 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1pgj h ALA 64 Cb 0.50 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1pgj h ALA 64 CO 0.00 -0.25 -0.06 0.66 0.00 0.00 0.00 179.25 179.59 1pgj h SER 65 N -0.77 0.00 -3.33 0.00 4.64 -0.85 -3.46 113.55 109.78 1pgj h SER 65 Ca -0.01 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.78 1pgj h SER 65 Cb 0.57 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.70 1pgj h SER 65 CO 0.02 0.06 0.68 -0.76 -0.87 0.00 0.00 176.83 175.97 1pgj s LEU 66 N -8.52 4.40 0.19 5.97 1.43 -1.22 -0.31 118.68 120.63 1pgj s LEU 66 Ca -0.04 2.45 -0.32 0.00 -1.03 0.00 0.00 54.13 55.19 1pgj s LEU 66 Cb 0.16 -3.61 -0.11 0.00 0.03 0.00 0.00 46.19 42.66 1pgj s LEU 66 CO 0.65 -0.58 1.73 -0.75 0.23 0.00 0.00 176.35 177.63 1pgj s LYS 67 N -0.02 4.14 0.22 1.70 2.20 0.46 -4.73 119.74 123.71 1pgj s LYS 67 Ca 0.58 2.58 -0.29 0.00 -0.36 0.00 0.00 55.97 58.48 1pgj s LYS 67 Cb -0.38 -3.19 -0.09 0.00 -1.51 0.00 0.00 37.83 32.67 1pgj s LYS 67 CO 0.38 -0.76 0.92 0.15 -0.36 0.00 0.00 175.35 175.69 1pgj s LYS 68 N 1.51 4.81 0.14 4.03 1.02 -1.26 -3.30 119.74 126.69 1pgj s LYS 68 Ca 0.76 1.45 -0.31 0.00 0.02 0.00 0.00 55.97 57.89 1pgj s LYS 68 Cb -0.48 -3.29 -0.08 0.00 -0.52 0.00 0.00 37.83 33.46 1pgj s LYS 68 CO 0.33 0.50 1.32 -1.25 -0.92 0.00 0.00 175.35 175.33 1pgj s PRO 69 N -1.07 4.37 0.24 -1.68 0.04 -1.26 -5.11 135.00 130.53 1pgj s PRO 69 Ca 0.41 2.01 -0.31 0.00 0.04 0.00 0.00 61.00 63.14 1pgj s PRO 69 Cb -0.25 -3.24 -0.12 0.00 0.04 0.00 0.00 34.50 30.92 1pgj s PRO 69 CO 0.31 -0.33 1.59 0.54 0.04 0.00 0.00 177.00 179.15 1pgj n ARG 70 N 3.41 2.50 -4.08 4.56 3.00 -1.21 -4.74 116.66 120.10 1pgj n ARG 70 Ca 0.09 0.90 -0.32 0.00 -0.01 0.00 0.00 57.85 58.50 1pgj n ARG 70 Cb 0.43 -2.67 -0.16 0.00 0.00 0.00 0.00 32.46 30.06 1pgj n ARG 70 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1pgj s LYS 71 N 0.17 2.71 -0.01 5.56 1.02 -1.26 0.23 119.74 128.16 1pgj s LYS 71 Ca 0.70 -0.82 0.07 0.00 0.02 0.00 0.00 55.97 55.95 1pgj s LYS 71 Cb -0.56 -2.49 -0.02 0.00 -0.52 0.00 0.00 37.83 34.25 1pgj s LYS 71 CO 0.43 -0.26 -0.24 0.00 -0.92 0.00 0.00 175.35 174.36 1pgj s ALA 72 N 1.32 1.97 -0.34 5.17 0.00 -0.77 -1.75 121.76 127.37 1pgj s ALA 72 Ca 0.03 -1.03 -0.04 0.00 0.00 0.00 0.00 51.96 50.92 1pgj s ALA 72 Cb -0.14 -0.49 0.06 0.00 0.00 0.00 0.00 23.12 22.55 1pgj s ALA 72 CO -0.11 0.48 0.09 -0.51 0.00 0.00 0.00 175.76 175.70 1pgj s LEU 73 N -0.63 4.33 -0.08 0.00 1.43 -0.88 -0.31 118.68 122.54 1pgj s LEU 73 Ca 0.09 -1.33 -0.29 0.00 -1.03 0.00 0.00 54.13 51.57 1pgj s LEU 73 Cb -0.09 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 1pgj s LEU 73 CO -0.01 -0.34 0.99 -0.63 0.23 0.00 0.00 176.35 176.59 1pgj s ILE 74 N 1.31 4.81 -0.18 -0.59 1.09 -0.29 -1.84 121.20 125.51 1pgj s ILE 74 Ca -0.01 2.03 0.15 0.00 -1.10 0.00 0.00 60.65 61.71 1pgj s ILE 74 Cb -0.20 -4.31 0.37 0.00 -1.06 0.00 0.00 42.46 37.26 1pgj s ILE 74 CO 0.00 0.04 1.20 0.18 -0.10 0.00 0.00 174.94 176.27 1pgj n LEU 75 N 4.76 2.62 -4.96 2.97 4.77 0.11 -2.37 117.00 124.90 1pgj n LEU 75 Ca 0.08 -3.51 -0.26 0.00 -0.03 0.00 0.00 56.01 52.30 1pgj n LEU 75 Cb 0.49 -0.49 0.11 0.00 -2.33 0.00 0.00 43.42 41.20 1pgj n LEU 75 CO 0.52 1.06 0.64 0.68 -1.33 0.00 0.00 177.39 178.96 1pgj s VAL 76 N -3.06 2.18 0.22 4.08 -7.23 -1.25 -4.55 120.40 110.79 1pgj s VAL 76 Ca 0.36 -0.35 -0.31 0.00 -1.81 0.00 0.00 61.98 59.87 1pgj s VAL 76 Cb 0.33 -2.83 -0.11 0.00 0.56 0.00 0.00 36.38 34.33 1pgj s VAL 76 CO -0.02 0.00 1.56 -1.10 -0.31 0.00 0.00 175.10 175.24 1pgj s GLN 77 N -5.33 4.20 0.77 4.82 -1.52 -1.26 -4.61 119.66 116.73 1pgj s GLN 77 Ca 0.66 2.42 -0.15 0.00 -1.95 0.00 0.00 55.36 56.34 1pgj s GLN 77 Cb -0.07 -3.11 0.00 0.00 -0.22 0.00 0.00 33.01 29.62 1pgj s GLN 77 CO 0.46 -0.59 0.73 0.00 -0.25 0.00 0.00 175.29 175.64 1pgj n ALA 78 N 3.24 -1.14 0.00 6.09 0.00 -1.25 -3.41 120.51 124.05 1pgj n ALA 78 Ca 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1pgj n ALA 78 Cb 0.38 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1pgj n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pgj n GLY 79 N 1.31 0.16 0.38 0.00 0.00 -1.26 -4.43 105.19 101.35 1pgj n GLY 79 Ca 0.11 -1.81 0.20 0.00 0.00 0.00 0.00 46.02 44.52 1pgj n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pgj h ALA 80 N 0.00 2.30 -0.52 4.61 0.00 -1.99 0.24 119.26 123.89 1pgj h ALA 80 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1pgj h ALA 80 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1pgj h ALA 80 CO 0.00 -0.62 0.20 0.00 0.00 0.00 0.00 179.25 178.83 1pgj h ALA 81 N 1.66 0.68 0.09 0.00 0.00 -1.78 -1.55 119.26 118.36 1pgj h ALA 81 Ca 0.22 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1pgj h ALA 81 Cb 0.99 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1pgj h ALA 81 CO -0.00 0.30 -0.04 1.15 0.00 0.00 0.00 179.25 180.66 1pgj h THR 82 N 0.71 1.11 -0.68 0.00 2.02 -1.00 -2.66 112.91 112.41 1pgj h THR 82 Ca 0.17 -0.80 0.13 0.00 0.77 0.00 0.00 66.41 66.68 1pgj h THR 82 Cb 0.22 1.62 -0.13 0.00 -1.74 0.00 0.00 68.15 68.11 1pgj h THR 82 CO -0.01 0.19 -0.27 0.44 0.37 0.00 0.00 175.52 176.24 1pgj h ASP 83 N -0.49 -0.96 0.37 4.18 3.32 -1.10 -1.01 116.42 120.73 1pgj h ASP 83 Ca -0.01 0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1pgj h ASP 83 Cb 0.41 0.53 -0.02 0.00 0.22 0.00 0.00 39.33 40.47 1pgj h ASP 83 CO 0.02 -0.28 -0.41 -1.28 -1.72 0.00 0.00 179.24 175.58 1pgj h SER 84 N -0.08 -1.13 -0.89 6.45 0.87 -1.25 -2.74 113.55 114.78 1pgj h SER 84 Ca 0.30 0.09 0.24 0.00 -1.23 0.00 0.00 61.79 61.19 1pgj h SER 84 Cb 0.55 0.38 -0.15 0.00 -0.44 0.00 0.00 62.40 62.74 1pgj h SER 84 CO -0.74 -0.53 0.15 0.74 -0.53 0.00 0.00 176.83 175.93 1pgj h THR 85 N -0.79 0.23 -0.33 2.23 2.02 -0.86 0.49 112.91 115.90 1pgj h THR 85 Ca -0.05 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 1pgj h THR 85 Cb 0.69 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1pgj h THR 85 CO -0.07 0.02 0.11 0.40 0.37 0.00 0.00 175.52 176.35 1pgj h ILE 86 N 0.13 1.14 -0.28 3.11 2.04 -1.10 -1.80 117.51 120.75 1pgj h ILE 86 Ca 0.55 -0.48 -0.16 0.00 1.00 0.00 0.00 64.86 65.78 1pgj h ILE 86 Cb 1.12 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1pgj h ILE 86 CO -0.73 0.18 -0.44 -0.33 0.00 0.00 0.00 178.15 176.82 1pgj h GLU 87 N 0.47 0.80 0.10 2.37 5.08 0.24 -0.68 114.58 122.96 1pgj h GLU 87 Ca 0.11 -0.48 -0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1pgj h GLU 87 Cb 0.14 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1pgj h GLU 87 CO -0.01 1.11 -0.05 1.96 -1.00 0.00 0.00 179.01 181.03 1pgj h GLN 88 N 0.55 -0.13 -0.38 2.33 4.20 -0.93 -2.91 115.11 117.84 1pgj h GLN 88 Ca 0.02 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.81 1pgj h GLN 88 Cb 1.04 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.79 1pgj h GLN 88 CO 0.10 -0.04 0.00 -0.07 -0.67 0.00 0.00 178.83 178.16 1pgj h LEU 89 N -0.19 -0.14 -1.11 1.46 3.38 -1.29 -2.10 115.31 115.30 1pgj h LEU 89 Ca -0.01 0.09 0.34 0.00 0.09 0.00 0.00 57.88 58.38 1pgj h LEU 89 Cb 0.16 0.15 -0.14 0.00 0.09 0.00 0.00 40.66 40.92 1pgj h LEU 89 CO 0.02 -0.04 0.63 0.50 0.09 0.00 0.00 178.44 179.65 1pgj h LYS 90 N 0.11 0.28 0.22 1.13 3.64 -0.92 -0.45 116.57 120.59 1pgj h LYS 90 Ca 0.19 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1pgj h LYS 90 Cb 0.26 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1pgj h LYS 90 CO -0.31 0.18 -0.11 0.87 -2.27 0.00 0.00 179.45 177.82 1pgj h LYS 91 N 0.29 -0.29 0.00 1.90 1.57 -1.30 -3.31 116.57 115.43 1pgj h LYS 91 Ca 0.74 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.54 1pgj h LYS 91 Cb 1.82 0.07 0.00 0.00 0.08 0.00 0.00 32.23 34.19 1pgj h LYS 91 CO -0.54 0.08 0.00 1.33 -0.57 0.00 0.00 179.45 179.75 1pgj n VAL 92 N -5.03 0.00 -3.77 0.50 0.24 -0.30 -4.85 118.33 105.13 1pgj n VAL 92 Ca -0.09 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.04 1pgj n VAL 92 Cb 0.26 -0.59 0.00 0.00 -1.47 0.00 0.00 33.84 32.04 1pgj n VAL 92 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1pgj n PHE 93 N -0.95 -0.87 -4.13 6.34 3.01 -0.50 -4.86 117.46 115.50 1pgj n PHE 93 Ca 0.16 -1.56 -0.11 0.00 1.01 0.00 0.00 57.45 56.95 1pgj n PHE 93 Cb 0.07 -0.30 -0.09 0.00 -0.01 0.00 0.00 39.48 39.16 1pgj n PHE 93 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1pgj s GLU 94 N -3.50 1.24 -0.15 -1.08 2.02 -1.26 -4.99 118.70 110.98 1pgj s GLU 94 Ca 0.21 -1.48 -0.40 0.00 0.02 0.00 0.00 54.97 53.32 1pgj s GLU 94 Cb -0.02 0.32 -0.17 0.00 0.10 0.00 0.00 34.13 34.36 1pgj s GLU 94 CO 0.13 -0.44 1.47 1.63 0.02 0.00 0.00 175.26 178.08 1pgj n LYS 95 N -0.27 0.77 0.00 1.61 5.02 -1.26 -1.52 118.16 122.51 1pgj n LYS 95 Ca -0.01 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1pgj n LYS 95 Cb 0.64 -1.89 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 1pgj n LYS 95 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pgj n GLY 96 N 3.15 3.27 3.37 0.72 0.00 0.44 -5.01 105.19 111.12 1pgj n GLY 96 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 1pgj n GLY 96 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pgj n ASP 97 N 0.04 -2.30 -4.07 1.61 8.00 -0.57 -4.46 116.55 114.79 1pgj n ASP 97 Ca 0.00 -0.27 -0.25 0.00 0.71 0.00 0.00 54.79 54.98 1pgj n ASP 97 Cb 0.00 -1.13 -0.16 0.00 -0.02 0.00 0.00 41.12 39.81 1pgj n ASP 97 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1pgj s ILE 98 N -2.31 1.23 -0.19 0.53 1.01 0.13 -0.41 121.20 121.20 1pgj s ILE 98 Ca 0.65 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.71 1pgj s ILE 98 Cb -0.20 -1.09 0.00 0.00 0.01 0.00 0.00 42.46 41.18 1pgj s ILE 98 CO 0.64 0.37 -0.12 -0.76 0.00 0.00 0.00 174.94 175.07 1pgj s LEU 99 N 0.35 2.54 -0.38 2.97 1.43 -0.12 -1.84 118.68 123.63 1pgj s LEU 99 Ca -0.09 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.51 1pgj s LEU 99 Cb -0.13 -1.61 0.10 0.00 0.03 0.00 0.00 46.19 44.58 1pgj s LEU 99 CO 0.03 0.02 0.14 -0.69 0.23 0.00 0.00 176.35 176.09 1pgj s VAL 100 N 1.18 3.04 0.03 -1.59 1.01 0.58 -1.14 120.40 123.52 1pgj s VAL 100 Ca 0.02 -2.02 -0.30 0.00 0.00 0.00 0.00 61.98 59.68 1pgj s VAL 100 Cb -0.14 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1pgj s VAL 100 CO -0.05 -0.59 1.00 -0.62 0.00 0.00 0.00 175.10 174.84 1pgj s ASP 101 N 1.56 7.36 -0.02 3.32 2.15 0.22 -1.14 116.67 130.12 1pgj s ASP 101 Ca 0.07 1.73 0.03 0.00 0.43 0.00 0.00 52.55 54.81 1pgj s ASP 101 Cb -0.22 -2.58 0.05 0.00 -0.30 0.00 0.00 42.92 39.88 1pgj s ASP 101 CO -0.05 -0.25 0.88 0.35 -0.17 0.00 0.00 175.17 175.94 1pgj n THR 102 N 3.67 0.75 -3.16 1.71 -2.24 -1.00 -0.22 114.28 113.77 1pgj n THR 102 Ca 0.06 -0.81 -0.39 0.00 -2.27 0.00 0.00 64.05 60.64 1pgj n THR 102 Cb 0.50 0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 69.24 1pgj n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pgj n GLY 103 N -0.45 4.98 4.17 3.38 0.00 -1.26 -4.48 105.19 111.54 1pgj n GLY 103 Ca 0.03 -2.69 -0.39 0.00 0.00 0.00 0.00 46.02 42.97 1pgj n GLY 103 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pgj n ASN 104 N 1.31 -1.76 -4.91 1.61 3.02 -1.26 -3.92 115.26 109.35 1pgj n ASN 104 Ca 0.27 -1.27 -0.28 0.00 -0.03 0.00 0.00 54.58 53.26 1pgj n ASN 104 Cb 0.36 -1.73 -0.03 0.00 -0.61 0.00 0.00 39.78 37.76 1pgj n ASN 104 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pgj s ALA 105 N -3.92 3.67 -0.06 5.41 0.00 -1.26 -4.88 121.76 120.72 1pgj s ALA 105 Ca 0.26 -0.63 -0.30 0.00 0.00 0.00 0.00 51.96 51.29 1pgj s ALA 105 Cb -0.14 -2.22 -0.05 0.00 0.00 0.00 0.00 23.12 20.70 1pgj s ALA 105 CO 0.98 0.28 1.61 -1.58 0.00 0.00 0.00 175.76 177.06 1pgj s HIS 106 N -2.04 2.08 0.60 0.00 2.46 -1.26 -4.85 115.29 112.28 1pgj s HIS 106 Ca 0.43 0.28 0.09 0.00 0.47 0.00 0.00 55.06 56.32 1pgj s HIS 106 Cb -0.11 -3.88 0.31 0.00 -0.13 0.00 0.00 32.58 28.78 1pgj s HIS 106 CO 0.30 -3.64 1.03 1.97 -2.47 0.00 0.00 174.74 171.93 1pgj n PHE 107 N 7.01 0.00 0.09 3.88 -1.74 -1.26 0.15 117.46 125.58 1pgj n PHE 107 Ca 0.17 0.00 -0.07 0.00 -0.56 0.00 0.00 57.45 56.98 1pgj n PHE 107 Cb 0.43 -0.09 0.00 0.00 1.52 0.00 0.00 39.48 41.34 1pgj n PHE 107 CO 0.00 0.00 0.00 0.87 -0.56 0.00 0.00 176.76 177.07 1pgj h LYS 108 N 0.00 0.15 -0.44 3.97 1.57 -1.92 -3.01 116.57 116.90 1pgj h LYS 108 Ca 0.17 -0.16 -0.15 0.00 -1.87 0.00 0.00 60.65 58.65 1pgj h LYS 108 Cb 2.19 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 34.54 1pgj h LYS 108 CO -0.00 0.91 -0.30 -0.44 -0.57 0.00 0.00 179.45 179.05 1pgj h ASP 109 N 0.08 1.01 -0.05 0.86 3.32 -0.66 -2.88 116.42 118.10 1pgj h ASP 109 Ca -0.03 -0.42 -0.00 0.00 0.02 0.00 0.00 57.03 56.59 1pgj h ASP 109 Cb 1.48 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 1pgj h ASP 109 CO 0.13 1.22 0.02 1.56 -1.72 0.00 0.00 179.24 180.45 1pgj h GLN 110 N 0.81 0.06 -0.80 3.56 1.08 -1.61 0.79 115.11 119.00 1pgj h GLN 110 Ca 0.09 -0.01 0.14 0.00 -1.45 0.00 0.00 58.65 57.42 1pgj h GLN 110 Cb 0.88 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 28.24 1pgj h GLN 110 CO 0.08 0.15 0.53 0.78 -0.95 0.00 0.00 178.83 179.42 1pgj h GLY 111 N -0.04 0.91 0.49 3.46 0.00 -1.50 0.15 103.07 106.54 1pgj h GLY 111 Ca 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 1pgj h GLY 111 CO -0.00 0.08 -0.15 -0.09 0.00 0.00 0.00 176.54 176.38 1pgj h ARG 112 N 0.54 -0.42 -0.77 4.80 2.43 -1.20 -3.07 114.38 116.70 1pgj h ARG 112 Ca 0.39 0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.77 1pgj h ARG 112 Cb 0.75 0.09 -0.12 0.00 -0.42 0.00 0.00 29.97 30.28 1pgj h ARG 112 CO -0.15 -0.10 0.18 0.00 -1.51 0.00 0.00 179.97 178.39 1pgj h ARG 113 N -0.95 0.24 -0.25 0.20 3.08 -0.21 -0.23 114.38 116.25 1pgj h ARG 113 Ca -0.04 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.05 1pgj h ARG 113 Cb 0.51 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.43 1pgj h ARG 113 CO 0.07 0.16 -0.29 0.00 -1.07 0.00 0.00 179.97 178.85 1pgj h ALA 114 N 1.65 -0.21 0.39 0.04 0.00 -0.78 0.43 119.26 120.78 1pgj h ALA 114 Ca 0.44 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.40 1pgj h ALA 114 Cb 0.79 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1pgj h ALA 114 CO -0.55 -0.72 -0.19 1.96 0.00 0.00 0.00 179.25 179.75 1pgj h GLN 115 N -0.29 -0.51 -0.42 0.00 4.20 -1.04 0.45 115.11 117.51 1pgj h GLN 115 Ca 0.13 0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.92 1pgj h GLN 115 Cb 0.51 0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.35 1pgj h GLN 115 CO -0.42 -0.29 -0.31 1.96 -0.67 0.00 0.00 178.83 179.11 1pgj h GLN 116 N -0.61 -0.08 -0.90 1.46 1.08 -0.67 0.14 115.11 115.52 1pgj h GLN 116 Ca -0.05 0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.22 1pgj h GLN 116 Cb 0.45 0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.84 1pgj h GLN 116 CO 0.09 -0.05 0.57 -0.07 -0.95 0.00 0.00 178.83 178.41 1pgj h LEU 117 N -0.08 0.89 -1.60 1.46 3.38 -0.86 -1.54 115.31 116.95 1pgj h LEU 117 Ca 0.07 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1pgj h LEU 117 Cb 0.26 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1pgj h LEU 117 CO -0.43 0.56 -0.22 -0.33 0.09 0.00 0.00 178.44 178.11 1pgj h GLU 118 N 1.02 0.00 -0.00 1.13 5.08 0.15 0.30 114.58 122.25 1pgj h GLU 118 Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1pgj h GLU 118 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1pgj h GLU 118 CO -0.18 0.22 -0.20 0.00 -1.00 0.00 0.00 179.01 177.85 1pgj n ALA 119 N -2.42 2.86 -0.13 3.43 0.00 0.34 -3.36 120.51 121.23 1pgj n ALA 119 Ca -0.02 -0.23 0.08 0.00 0.00 0.00 0.00 53.44 53.27 1pgj n ALA 119 Cb 0.29 -1.31 0.19 0.00 0.00 0.00 0.00 19.45 18.62 1pgj n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pgj n ALA 120 N -1.35 2.28 -1.31 0.00 0.00 0.03 -4.99 120.51 115.17 1pgj n ALA 120 Ca 0.09 -1.12 -0.03 0.00 0.00 0.00 0.00 53.44 52.37 1pgj n ALA 120 Cb 0.32 -0.60 -0.01 0.00 0.00 0.00 0.00 19.45 19.16 1pgj n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pgj n GLY 121 N 0.91 0.53 3.47 0.00 0.00 -0.87 -4.90 105.19 104.33 1pgj n GLY 121 Ca 0.15 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 45.04 1pgj n GLY 121 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pgj s LEU 122 N -0.74 2.61 0.08 0.99 1.02 -0.83 -0.42 118.68 121.40 1pgj s LEU 122 Ca 0.00 -1.08 0.04 0.00 0.02 0.00 0.00 54.13 53.10 1pgj s LEU 122 Cb 0.00 -0.98 -0.04 0.00 0.02 0.00 0.00 46.19 45.19 1pgj s LEU 122 CO 0.00 -0.08 0.04 -0.13 0.02 0.00 0.00 176.35 176.20 1pgj s ARG 123 N -3.57 2.72 0.10 1.70 3.00 0.45 -3.69 118.95 119.66 1pgj s ARG 123 Ca 0.30 -0.76 0.04 0.00 0.00 0.00 0.00 55.73 55.31 1pgj s ARG 123 Cb -0.02 -2.64 -0.04 0.00 0.00 0.00 0.00 34.95 32.26 1pgj s ARG 123 CO 0.14 0.56 -0.11 0.12 0.00 0.00 0.00 175.30 176.01 1pgj s PHE 124 N -1.34 1.12 -0.14 -0.53 5.36 -1.26 -0.95 117.98 120.24 1pgj s PHE 124 Ca 0.27 -0.63 -0.06 0.00 -0.96 0.00 0.00 56.93 55.55 1pgj s PHE 124 Cb -0.12 -0.61 0.07 0.00 -0.34 0.00 0.00 43.02 42.02 1pgj s PHE 124 CO 0.20 0.03 0.31 -1.17 -1.46 0.00 0.00 175.22 173.12 1pgj s LEU 125 N -2.43 -0.21 -0.21 6.12 2.96 -0.29 -4.07 118.68 120.55 1pgj s LEU 125 Ca 0.06 0.70 -0.17 0.00 -0.22 0.00 0.00 54.13 54.50 1pgj s LEU 125 Cb -0.03 0.92 -0.03 0.00 0.50 0.00 0.00 46.19 47.54 1pgj s LEU 125 CO 0.01 -0.22 0.45 -0.83 -1.32 0.00 0.00 176.35 174.44 1pgj s GLY 126 N 2.12 2.03 -0.26 7.98 0.00 -0.70 -0.61 107.32 117.88 1pgj s GLY 126 Ca -0.03 -0.52 -0.03 0.00 0.00 0.00 0.00 44.72 44.14 1pgj s GLY 126 CO -0.10 0.98 0.11 -0.29 0.00 0.00 0.00 173.10 173.80 1pgj s MET 127 N 1.62 0.32 0.73 2.90 1.75 0.69 -1.26 119.30 126.05 1pgj s MET 127 Ca 0.21 -0.55 -0.12 0.00 -1.25 0.00 0.00 55.69 53.98 1pgj s MET 127 Cb -0.15 -1.54 0.04 0.00 2.84 0.00 0.00 34.83 36.01 1pgj s MET 127 CO 0.09 -0.91 1.09 0.20 -0.65 0.00 0.00 175.02 174.84 1pgj s GLY 128 N 1.98 1.81 -0.05 2.11 0.00 0.46 -4.21 107.32 109.42 1pgj s GLY 128 Ca 0.07 0.33 -0.04 0.00 0.00 0.00 0.00 44.72 45.08 1pgj s GLY 128 CO -0.27 0.68 0.12 -1.50 0.00 0.00 0.00 173.10 172.13 1pgj s ILE 129 N -2.75 -0.00 0.04 0.90 -1.16 -1.26 -0.32 121.20 116.64 1pgj s ILE 129 Ca 0.63 0.01 -0.01 0.00 -0.51 0.00 0.00 60.65 60.76 1pgj s ILE 129 Cb -0.18 -0.17 -0.03 0.00 0.61 0.00 0.00 42.46 42.69 1pgj s ILE 129 CO 0.52 0.00 -0.01 -0.55 -2.81 0.00 0.00 174.94 172.09 1pgj s SER 130 N 0.10 0.33 0.00 4.50 0.15 -0.86 -4.94 113.70 112.98 1pgj s SER 130 Ca -0.00 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 55.93 1pgj s SER 130 Cb -0.01 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 1pgj s SER 130 CO -0.00 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.58 1pgj n GLY 131 N 0.82 0.66 4.12 9.45 0.00 -1.23 -2.70 105.19 116.30 1pgj n GLY 131 Ca -0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.85 1pgj n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pgj n GLY 132 N 0.00 -1.99 0.39 -0.02 0.00 -1.26 -2.14 105.19 100.17 1pgj n GLY 132 Ca 0.00 -1.38 -0.13 0.00 0.00 0.00 0.00 46.02 44.51 1pgj n GLY 132 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pgj h GLU 133 N 0.00 -0.50 0.04 1.61 4.81 -1.99 0.29 114.58 118.83 1pgj h GLU 133 Ca 0.00 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1pgj h GLU 133 Cb 0.13 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1pgj h GLU 133 CO 0.00 -0.33 -0.10 1.49 -0.73 0.00 0.00 179.01 179.34 1pgj h GLU 134 N -0.52 -0.18 -0.61 1.92 4.81 -1.96 -2.63 114.58 115.41 1pgj h GLU 134 Ca 0.06 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1pgj h GLU 134 Cb 0.62 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.01 1pgj h GLU 134 CO -0.34 -0.12 0.40 0.78 -0.73 0.00 0.00 179.01 179.00 1pgj h GLY 135 N -0.19 0.78 0.84 1.92 0.00 -0.97 -0.76 103.07 104.70 1pgj h GLY 135 Ca 0.03 -0.26 0.04 0.00 0.00 0.00 0.00 47.33 47.14 1pgj h GLY 135 CO -0.07 0.21 0.61 0.00 0.00 0.00 0.00 176.54 177.29 1pgj h ALA 136 N 1.66 1.26 0.05 3.60 0.00 -0.05 0.79 119.26 126.56 1pgj h ALA 136 Ca 0.26 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1pgj h ALA 136 Cb 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1pgj h ALA 136 CO -0.07 0.46 -0.02 -0.09 0.00 0.00 0.00 179.25 179.52 1pgj h ARG 137 N 1.17 -0.07 0.00 0.00 9.65 -1.06 -3.35 114.38 120.71 1pgj h ARG 137 Ca 0.38 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.27 1pgj h ARG 137 Cb 0.04 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 1pgj h ARG 137 CO -0.13 0.48 0.00 1.63 2.80 0.00 0.00 179.97 184.74 1pgj n LYS 138 N -4.76 0.15 0.00 0.20 5.02 -0.42 -4.56 118.16 113.79 1pgj n LYS 138 Ca -0.07 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1pgj n LYS 138 Cb 0.28 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 1pgj n LYS 138 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pgj n GLY 139 N 0.65 2.24 0.00 0.72 0.00 0.14 -4.73 105.19 104.20 1pgj n GLY 139 Ca 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1pgj n GLY 139 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pgj n PRO 140 N 0.37 1.54 -4.14 1.61 -0.04 -0.42 -3.71 135.00 130.20 1pgj n PRO 140 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 1pgj n PRO 140 Cb 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.39 1pgj n PRO 140 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pgj s ALA 141 N -2.00 3.44 0.04 0.55 0.00 -1.10 -0.27 121.76 122.42 1pgj s ALA 141 Ca 0.00 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 51.04 1pgj s ALA 141 Cb 0.00 -1.39 -0.02 0.00 0.00 0.00 0.00 23.12 21.71 1pgj s ALA 141 CO 0.00 0.70 -0.20 -0.06 0.00 0.00 0.00 175.76 176.20 1pgj s PHE 142 N -1.26 1.78 -0.51 0.00 0.08 -0.67 -2.04 117.98 115.36 1pgj s PHE 142 Ca 0.25 -0.37 0.03 0.00 0.12 0.00 0.00 56.93 56.96 1pgj s PHE 142 Cb -0.12 -1.07 0.15 0.00 -0.57 0.00 0.00 43.02 41.41 1pgj s PHE 142 CO 0.17 0.08 0.31 -0.06 -0.10 0.00 0.00 175.22 175.62 1pgj s PHE 143 N -0.78 2.50 0.39 0.36 0.08 0.57 -4.37 117.98 116.73 1pgj s PHE 143 Ca 0.07 -2.78 -0.02 0.00 0.12 0.00 0.00 56.93 54.32 1pgj s PHE 143 Cb -0.09 -2.17 -0.04 0.00 -0.57 0.00 0.00 43.02 40.16 1pgj s PHE 143 CO 0.02 -0.72 0.64 -1.25 -0.10 0.00 0.00 175.22 173.80 1pgj s PRO 144 N -0.23 3.52 -0.21 0.24 0.05 -1.26 -0.41 135.00 136.70 1pgj s PRO 144 Ca 0.21 -0.11 -0.29 0.00 0.05 0.00 0.00 61.00 60.86 1pgj s PRO 144 Cb -0.17 -2.56 0.15 0.00 0.05 0.00 0.00 34.50 31.97 1pgj s PRO 144 CO -0.06 0.03 1.11 0.20 0.05 0.00 0.00 177.00 178.33 1pgj s GLY 145 N -3.99 -0.13 0.00 0.56 0.00 -0.39 -1.63 107.32 101.74 1pgj s GLY 145 Ca 0.43 2.40 0.00 0.00 0.00 0.00 0.00 44.72 47.55 1pgj s GLY 145 CO 0.39 1.22 0.00 0.61 0.00 0.00 0.00 173.10 175.32 1pgj n GLY 146 N 0.95 0.72 3.65 0.20 0.00 -0.64 -1.72 105.19 108.36 1pgj n GLY 146 Ca -0.08 -1.69 -0.50 0.00 0.00 0.00 0.00 46.02 43.75 1pgj n GLY 146 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pgj n THR 147 N 8.07 0.17 -0.03 2.61 -2.24 -1.26 -4.32 114.28 117.28 1pgj n THR 147 Ca 0.00 -0.03 -0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1pgj n THR 147 Cb 0.00 -1.34 0.28 0.00 -2.10 0.00 0.00 70.33 67.18 1pgj n THR 147 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1pgj h LEU 148 N 6.39 0.55 -0.67 3.22 5.85 -1.96 -2.75 115.31 125.95 1pgj h LEU 148 Ca -0.47 -0.10 0.13 0.00 0.84 0.00 0.00 57.88 58.29 1pgj h LEU 148 Cb 1.29 -0.14 -0.13 0.00 0.37 0.00 0.00 40.66 42.05 1pgj h LEU 148 CO 0.88 0.59 -0.21 0.77 -0.34 0.00 0.00 178.44 180.13 1pgj h SER 149 N 0.58 -0.76 -0.13 1.25 4.64 -2.01 -2.12 113.55 115.00 1pgj h SER 149 Ca 0.13 0.21 -0.01 0.00 -0.47 0.00 0.00 61.79 61.65 1pgj h SER 149 Cb 0.29 0.46 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 1pgj h SER 149 CO 0.00 -0.25 0.03 -0.37 -0.87 0.00 0.00 176.83 175.38 1pgj h VAL 150 N -0.04 1.20 -0.56 0.95 -1.51 -1.86 -3.28 116.25 111.14 1pgj h VAL 150 Ca 0.31 -0.61 0.05 0.00 -1.23 0.00 0.00 66.70 65.22 1pgj h VAL 150 Cb 0.52 1.36 -0.07 0.00 -2.13 0.00 0.00 31.29 30.96 1pgj h VAL 150 CO -0.70 0.18 -0.37 -0.25 -1.23 0.00 0.00 177.57 175.19 1pgj h TRP 151 N 0.01 -1.19 0.00 5.19 -0.00 -1.36 0.48 115.95 119.08 1pgj h TRP 151 Ca 0.04 0.08 0.00 0.00 -0.00 0.00 0.00 58.89 59.01 1pgj h TRP 151 Cb 0.25 0.59 0.00 0.00 -0.00 0.00 0.00 29.16 30.01 1pgj h TRP 151 CO 0.01 -0.25 0.14 1.49 -0.00 0.00 0.00 178.44 179.82 1pgj h GLU 152 N -0.05 0.00 0.00 2.65 4.57 -1.58 0.60 114.58 120.77 1pgj h GLU 152 Ca 0.09 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.18 1pgj h GLU 152 Cb 0.29 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1pgj h GLU 152 CO -0.56 0.00 -0.65 0.93 -1.18 0.00 0.00 179.01 177.55 1pgj h GLU 153 N 0.00 0.00 0.00 1.92 4.39 -0.13 -3.35 114.58 117.40 1pgj h GLU 153 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1pgj h GLU 153 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1pgj h GLU 153 CO 0.00 0.35 -1.43 1.51 -1.16 0.00 0.00 179.01 178.28 1pgj n ILE 154 N -3.10 0.00 -0.32 3.13 3.06 0.69 -4.70 119.36 118.12 1pgj n ILE 154 Ca -0.00 -0.28 0.29 0.00 -2.50 0.00 0.00 62.75 60.25 1pgj n ILE 154 Cb 0.71 0.33 0.53 0.00 0.54 0.00 0.00 39.64 41.76 1pgj n ILE 154 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 1pgj h ARG 155 N 0.00 0.02 0.31 9.51 2.43 -0.11 -2.08 114.38 124.46 1pgj h ARG 155 Ca 0.00 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1pgj h ARG 155 Cb 0.54 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1pgj h ARG 155 CO 0.00 0.01 -0.15 -1.35 -1.51 0.00 0.00 179.97 176.97 1pgj h PRO 156 N 0.02 -0.41 -0.56 0.20 0.11 -1.84 -1.29 132.00 128.23 1pgj h PRO 156 Ca 0.80 0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.91 1pgj h PRO 156 Cb 2.05 0.09 -0.03 0.00 0.11 0.00 0.00 31.00 33.23 1pgj h PRO 156 CO -0.79 -0.24 0.23 0.82 -0.21 0.00 0.00 178.00 177.81 1pgj h ILE 157 N -0.46 1.22 -0.03 4.15 2.04 -1.73 -0.96 117.51 121.74 1pgj h ILE 157 Ca -0.04 -0.68 -0.15 0.00 1.00 0.00 0.00 64.86 64.98 1pgj h ILE 157 Cb 0.35 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1pgj h ILE 157 CO 0.07 0.26 -0.68 -0.37 0.00 0.00 0.00 178.15 177.43 1pgj h VAL 158 N 0.77 1.44 0.01 1.67 -1.51 -1.51 -2.15 116.25 114.98 1pgj h VAL 158 Ca 0.19 -2.21 -0.00 0.00 -1.23 0.00 0.00 66.70 63.45 1pgj h VAL 158 Cb 0.19 2.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 1pgj h VAL 158 CO -0.02 0.64 -0.01 -0.33 -1.23 0.00 0.00 177.57 176.63 1pgj h GLU 159 N 0.10 -0.01 -0.38 5.19 5.08 -1.10 -0.44 114.58 123.02 1pgj h GLU 159 Ca -0.01 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1pgj h GLU 159 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1pgj h GLU 159 CO 0.10 0.52 0.26 0.00 -1.00 0.00 0.00 179.01 178.89 1pgj h ALA 160 N 0.42 1.93 0.00 3.43 0.00 -1.19 -2.78 119.26 121.06 1pgj h ALA 160 Ca -0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 1pgj h ALA 160 Cb 0.54 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1pgj h ALA 160 CO 0.00 0.01 -1.37 0.00 0.00 0.00 0.00 179.25 177.89 1pgj h ALA 161 N 1.79 0.67 -2.41 0.00 0.00 -1.25 -3.47 119.26 114.58 1pgj h ALA 161 Ca 0.16 -1.00 -0.51 0.00 0.00 0.00 0.00 54.91 53.57 1pgj h ALA 161 Cb 0.22 0.27 0.11 0.00 0.00 0.00 0.00 17.79 18.39 1pgj h ALA 161 CO -0.04 1.12 0.36 0.00 0.00 0.00 0.00 179.25 180.69 1pgj s ALA 162 N -2.81 2.44 0.48 0.00 0.00 -0.19 -4.18 121.76 117.52 1pgj s ALA 162 Ca -0.02 0.45 -0.23 0.00 0.00 0.00 0.00 51.96 52.16 1pgj s ALA 162 Cb 0.08 -3.30 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 1pgj s ALA 162 CO 0.81 -1.36 1.25 0.00 0.00 0.00 0.00 175.76 176.46 1pgj s ALA 163 N -2.51 2.95 -0.15 0.00 0.00 0.63 -4.75 121.76 117.93 1pgj s ALA 163 Ca 0.65 1.11 -0.05 0.00 0.00 0.00 0.00 51.96 53.67 1pgj s ALA 163 Cb -0.19 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.43 1pgj s ALA 163 CO 0.45 -0.94 0.01 0.15 0.00 0.00 0.00 175.76 175.43 1pgj s LYS 164 N -2.72 3.67 0.60 0.00 3.01 -1.26 -1.05 119.74 121.98 1pgj s LYS 164 Ca 0.66 -0.43 -0.06 0.00 -1.01 0.00 0.00 55.97 55.13 1pgj s LYS 164 Cb -0.34 -3.01 0.01 0.00 -1.01 0.00 0.00 37.83 33.48 1pgj s LYS 164 CO 0.41 0.34 0.91 0.00 0.51 0.00 0.00 175.35 177.53 1pgj s ALA 165 N 0.12 3.28 0.07 5.17 0.00 -0.27 -4.88 121.76 125.26 1pgj s ALA 165 Ca 0.02 -0.69 -0.12 0.00 0.00 0.00 0.00 51.96 51.16 1pgj s ALA 165 Cb -0.13 -2.62 -0.01 0.00 0.00 0.00 0.00 23.12 20.36 1pgj s ALA 165 CO 0.02 -0.83 0.64 -0.25 0.00 0.00 0.00 175.76 175.33 1pgj n ASP 166 N -2.61 -0.42 0.00 0.00 9.92 -1.26 0.18 116.55 122.36 1pgj n ASP 166 Ca 0.05 0.74 0.01 0.00 -0.53 0.00 0.00 54.79 55.05 1pgj n ASP 166 Cb 0.58 -0.11 0.04 0.00 -0.64 0.00 0.00 41.12 41.00 1pgj n ASP 166 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1pgj n ASP 167 N -4.53 0.00 0.00 -2.24 5.68 -1.26 -4.76 116.55 109.44 1pgj n ASP 167 Ca 0.01 -0.64 0.00 0.00 -0.50 0.00 0.00 54.79 53.66 1pgj n ASP 167 Cb 0.12 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 1pgj n ASP 167 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pgj n GLY 168 N -0.18 0.92 3.75 6.12 0.00 0.47 -5.01 105.19 111.26 1pgj n GLY 168 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1pgj n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pgj s ARG 169 N -0.17 4.58 0.45 1.61 0.52 -1.20 -4.68 118.95 120.06 1pgj s ARG 169 Ca 0.00 1.81 -0.20 0.00 -0.52 0.00 0.00 55.73 56.82 1pgj s ARG 169 Cb 0.00 -3.23 -0.10 0.00 0.52 0.00 0.00 34.95 32.14 1pgj s ARG 169 CO 0.00 0.08 0.96 -1.25 0.02 0.00 0.00 175.30 175.11 1pgj s PRO 170 N -0.80 4.13 -1.55 3.54 0.04 -1.26 -1.12 135.00 137.98 1pgj s PRO 170 Ca 0.48 1.10 -0.10 0.00 0.04 0.00 0.00 61.00 62.52 1pgj s PRO 170 Cb -0.32 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.03 1pgj s PRO 170 CO 0.38 -0.12 2.71 0.00 0.04 0.00 0.00 177.00 180.02 1pgj s VAL 172 N 2.05 0.04 -0.13 0.00 1.01 -1.26 -1.67 120.40 120.44 1pgj s VAL 172 Ca 0.62 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.94 1pgj s VAL 172 Cb 0.17 -0.65 0.12 0.00 0.00 0.00 0.00 36.38 36.02 1pgj s VAL 172 CO -0.07 -0.20 0.99 0.28 0.00 0.00 0.00 175.10 176.10 1pgj s THR 173 N -1.15 0.00 -0.24 3.92 -1.32 -1.26 -4.95 115.64 110.64 1pgj s THR 173 Ca -0.12 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.07 1pgj s THR 173 Cb -0.04 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.95 1pgj s THR 173 CO 0.05 0.00 1.20 -0.32 -2.21 0.00 0.00 174.62 173.33 1pgj s MET 174 N -1.57 4.12 0.33 7.08 1.75 -1.26 -4.12 119.30 125.63 1pgj s MET 174 Ca 0.00 1.39 0.24 0.00 -1.25 0.00 0.00 55.69 56.07 1pgj s MET 174 Cb -0.01 -3.77 0.48 0.00 2.84 0.00 0.00 34.83 34.37 1pgj s MET 174 CO -0.01 -0.84 1.61 -0.91 -0.65 0.00 0.00 175.02 174.22 1pgj h ASN 175 N 8.35 0.00 -0.56 1.11 2.35 -1.68 -3.45 115.58 121.69 1pgj h ASN 175 Ca -0.24 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 1pgj h ASN 175 Cb 1.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.46 1pgj h ASN 175 CO 1.00 0.01 0.00 0.61 -1.65 0.00 0.00 177.43 177.40 1pgj n GLY 176 N 1.19 0.29 0.62 2.83 0.00 -1.26 -3.85 105.19 105.01 1pgj n GLY 176 Ca 0.04 -1.58 -0.04 0.00 0.00 0.00 0.00 46.02 44.44 1pgj n GLY 176 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pgj n SER 177 N 0.72 0.24 0.00 1.61 3.41 -1.05 -1.61 113.62 116.93 1pgj n SER 177 Ca 0.00 -1.19 0.00 0.00 -0.26 0.00 0.00 58.87 57.42 1pgj n SER 177 Cb 0.00 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 1pgj n SER 177 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pgj n GLY 178 N 3.80 1.86 1.47 5.00 0.00 -1.26 -0.69 105.19 115.36 1pgj n GLY 178 Ca 0.03 0.36 0.06 0.00 0.00 0.00 0.00 46.02 46.46 1pgj n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pgj n GLY 179 N 0.00 2.46 0.36 -0.02 0.00 -1.26 -3.41 105.19 103.32 1pgj n GLY 179 Ca 0.00 -0.68 0.09 0.00 0.00 0.00 0.00 46.02 45.43 1pgj n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pgj h ALA 180 N 3.61 1.60 -0.27 4.61 0.00 -1.20 0.14 119.26 127.75 1pgj h ALA 180 Ca 0.00 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1pgj h ALA 180 Cb 1.48 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1pgj h ALA 180 CO 0.31 0.14 -0.39 0.78 0.00 0.00 0.00 179.25 180.09 1pgj h GLY 181 N 0.91 0.81 2.00 0.00 0.00 -1.77 -2.02 103.07 103.00 1pgj h GLY 181 Ca 0.50 -0.89 -0.08 0.00 0.00 0.00 0.00 47.33 46.85 1pgj h GLY 181 CO -0.27 0.80 -0.38 1.76 0.00 0.00 0.00 176.54 178.46 1pgj h SER 182 N 0.48 0.00 -0.07 0.19 0.02 -1.57 -2.09 113.55 110.52 1pgj h SER 182 Ca 0.03 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1pgj h SER 182 Cb 0.98 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.52 1pgj h SER 182 CO 0.09 0.38 -0.04 0.00 -1.14 0.00 0.00 176.83 176.12 1pgj h VAL 184 N -0.23 0.96 -0.52 0.00 2.07 -1.18 -0.93 116.25 116.43 1pgj h VAL 184 Ca 0.02 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 1pgj h VAL 184 Cb 0.49 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1pgj h VAL 184 CO 0.01 0.12 0.10 0.50 0.02 0.00 0.00 177.57 178.32 1pgj h LYS 185 N 0.67 0.81 0.11 1.57 3.11 -1.28 0.19 116.57 121.75 1pgj h LYS 185 Ca 0.30 -0.18 -0.01 0.00 -2.81 0.00 0.00 60.65 57.96 1pgj h LYS 185 Cb 0.19 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.31 1pgj h LYS 185 CO -0.19 0.75 -0.05 0.52 -2.81 0.00 0.00 179.45 177.68 1pgj h MET 186 N 0.78 -0.14 0.00 1.90 2.86 0.10 -0.66 114.93 119.77 1pgj h MET 186 Ca 0.17 0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.74 1pgj h MET 186 Cb 0.33 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1pgj h MET 186 CO 0.00 -0.08 -0.35 1.88 1.06 0.00 0.00 176.91 179.42 1pgj h TYR 187 N -0.15 0.00 0.01 -0.22 0.05 -1.01 -1.66 116.97 113.98 1pgj h TYR 187 Ca -0.01 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 1pgj h TYR 187 Cb 0.12 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.86 1pgj h TYR 187 CO -0.07 0.35 -0.00 1.25 -1.05 0.00 0.00 178.16 178.64 1pgj h HIS 188 N 0.00 -0.01 0.00 4.88 -0.00 -0.18 -1.82 115.15 118.03 1pgj h HIS 188 Ca -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1pgj h HIS 188 Cb 0.78 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.19 1pgj h HIS 188 CO 0.00 0.16 -0.03 -0.91 -0.00 0.00 0.00 177.93 177.15 1pgj h ASN 189 N -0.17 0.00 -0.17 3.26 4.21 -0.75 -1.22 115.58 120.74 1pgj h ASN 189 Ca -0.00 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.31 1pgj h ASN 189 Cb 0.17 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.37 1pgj h ASN 189 CO 0.00 0.03 -0.64 -1.28 -1.29 0.00 0.00 177.43 174.25 1pgj h SER 190 N 0.00 0.90 -0.03 5.81 0.87 -0.75 -1.81 113.55 118.54 1pgj h SER 190 Ca -0.00 -0.53 -0.16 0.00 -1.23 0.00 0.00 61.79 59.87 1pgj h SER 190 Cb 0.09 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 1pgj h SER 190 CO 0.00 1.32 -0.51 1.23 -0.53 0.00 0.00 176.83 178.34 1pgj h GLY 191 N 0.72 0.65 0.76 5.77 0.00 -0.51 -2.78 103.07 107.68 1pgj h GLY 191 Ca -0.01 -0.73 0.04 0.00 0.00 0.00 0.00 47.33 46.62 1pgj h GLY 191 CO 0.14 0.66 0.19 -2.09 0.00 0.00 0.00 176.54 175.43 1pgj h GLU 192 N 0.47 0.38 -0.04 4.80 4.81 -1.06 -1.02 114.58 122.92 1pgj h GLU 192 Ca 0.02 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1pgj h GLU 192 Cb 1.05 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 1pgj h GLU 192 CO 0.10 0.25 -0.19 1.88 -0.73 0.00 0.00 179.01 180.32 1pgj h TYR 193 N 0.39 -0.49 -0.54 0.92 -1.99 -1.17 0.17 116.97 114.26 1pgj h TYR 193 Ca 0.18 0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.96 1pgj h TYR 193 Cb 0.10 0.22 -0.04 0.00 2.00 0.00 0.00 36.73 39.02 1pgj h TYR 193 CO -0.11 -0.27 0.31 0.00 -0.00 0.00 0.00 178.16 178.10 1pgj h ALA 194 N 0.65 0.69 -0.21 3.88 0.00 -1.19 -1.89 119.26 121.20 1pgj h ALA 194 Ca 0.07 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 1pgj h ALA 194 Cb 0.38 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1pgj h ALA 194 CO -0.20 0.01 -0.59 0.82 0.00 0.00 0.00 179.25 179.29 1pgj h ILE 195 N 0.62 1.30 -0.61 0.00 2.04 -0.88 -1.38 117.51 118.61 1pgj h ILE 195 Ca 0.22 -1.83 0.03 0.00 1.00 0.00 0.00 64.86 64.29 1pgj h ILE 195 Cb 0.05 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 1pgj h ILE 195 CO -0.11 0.58 0.36 -0.07 0.00 0.00 0.00 178.15 178.91 1pgj h LEU 196 N 0.52 0.58 -1.13 1.44 3.38 -0.83 -0.79 115.31 118.48 1pgj h LEU 196 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1pgj h LEU 196 Cb 1.18 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 1pgj h LEU 196 CO 0.12 0.40 0.54 -0.61 0.09 0.00 0.00 178.44 178.98 1pgj h GLN 197 N 0.71 1.12 -0.64 1.13 5.75 -1.03 -0.20 115.11 121.96 1pgj h GLN 197 Ca 0.25 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.64 1pgj h GLN 197 Cb 0.05 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 28.32 1pgj h GLN 197 CO -0.11 0.76 0.29 0.82 -2.65 0.00 0.00 178.83 177.93 1pgj h ILE 198 N 1.15 1.23 -0.41 2.39 2.04 -0.04 0.17 117.51 124.04 1pgj h ILE 198 Ca 0.31 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 1pgj h ILE 198 Cb -0.10 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1pgj h ILE 198 CO -0.06 0.27 0.10 -0.50 0.00 0.00 0.00 178.15 177.95 1pgj h TRP 199 N 0.88 0.68 -0.86 1.37 4.06 -0.74 -0.80 115.95 120.54 1pgj h TRP 199 Ca 0.22 -0.08 0.10 0.00 2.06 0.00 0.00 58.89 61.18 1pgj h TRP 199 Cb 0.15 -0.19 -0.08 0.00 -1.00 0.00 0.00 29.16 28.04 1pgj h TRP 199 CO 0.01 0.65 0.51 0.78 -3.56 0.00 0.00 178.44 176.83 1pgj h GLY 200 N 0.52 1.36 0.96 1.49 0.00 -0.52 0.20 103.07 107.08 1pgj h GLY 200 Ca 0.13 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 1pgj h GLY 200 CO 0.00 0.14 0.15 0.83 0.00 0.00 0.00 176.54 177.66 1pgj h GLU 201 N 0.84 0.74 -0.67 4.80 5.08 -0.14 -1.86 114.58 123.36 1pgj h GLU 201 Ca 0.42 -0.16 0.08 0.00 -1.00 0.00 0.00 59.36 58.70 1pgj h GLU 201 Cb 0.39 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 1pgj h GLU 201 CO -0.25 0.70 0.34 0.28 -1.00 0.00 0.00 179.01 179.08 1pgj h VAL 202 N 0.64 0.89 0.11 3.13 2.07 0.42 0.44 116.25 123.93 1pgj h VAL 202 Ca 0.15 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.49 1pgj h VAL 202 Cb 0.27 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 1pgj h VAL 202 CO -0.00 0.11 -0.28 0.15 0.02 0.00 0.00 177.57 177.57 1pgj h PHE 203 N 0.60 -0.75 -0.27 1.57 3.57 -0.55 -1.47 116.94 119.63 1pgj h PHE 203 Ca 0.32 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.90 1pgj h PHE 203 Cb 0.29 0.32 -0.07 0.00 2.79 0.00 0.00 35.95 39.28 1pgj h PHE 203 CO -0.10 -0.38 -0.20 0.22 -2.23 0.00 0.00 178.31 175.62 1pgj h ASP 204 N -0.48 -0.65 -0.29 0.41 1.82 -0.46 -1.11 116.42 115.66 1pgj h ASP 204 Ca 0.03 0.13 0.03 0.00 -0.39 0.00 0.00 57.03 56.83 1pgj h ASP 204 Cb 0.52 0.33 -0.03 0.00 0.68 0.00 0.00 39.33 40.83 1pgj h ASP 204 CO -0.17 -0.24 0.12 0.40 -1.61 0.00 0.00 179.24 177.74 1pgj h ILE 205 N -0.18 0.96 -0.17 2.25 2.04 -0.62 0.17 117.51 121.96 1pgj h ILE 205 Ca 0.15 -0.09 -0.13 0.00 1.00 0.00 0.00 64.86 65.79 1pgj h ILE 205 Cb 0.41 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1pgj h ILE 205 CO -0.38 0.05 -0.45 -0.07 0.00 0.00 0.00 178.15 177.30 1pgj h LEU 206 N 0.26 0.45 -0.64 1.44 3.38 -0.99 -0.08 115.31 119.13 1pgj h LEU 206 Ca 0.12 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1pgj h LEU 206 Cb 0.07 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1pgj h LEU 206 CO -0.11 0.84 0.18 0.03 0.09 0.00 0.00 178.44 179.47 1pgj h ARG 207 N 0.34 1.01 -0.56 1.13 2.47 -0.89 -0.23 114.38 117.65 1pgj h ARG 207 Ca 0.02 -0.23 -0.06 0.00 -1.26 0.00 0.00 59.98 58.46 1pgj h ARG 207 Cb 0.92 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 29.08 1pgj h ARG 207 CO 0.08 0.90 0.12 0.00 0.56 0.00 0.00 179.97 181.62 1pgj h ALA 208 N 1.07 1.15 0.00 0.04 0.00 -0.53 -1.65 119.26 119.33 1pgj h ALA 208 Ca 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pgj h ALA 208 Cb 0.32 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1pgj h ALA 208 CO -0.00 0.57 0.00 -1.33 0.00 0.00 0.00 179.25 178.49 1pgj n MET 209 N -4.26 0.91 0.00 0.00 2.81 -0.08 -4.74 117.12 111.76 1pgj n MET 209 Ca 0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 1pgj n MET 209 Cb 0.24 -1.31 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 1pgj n MET 209 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pgj n GLY 210 N 0.67 0.51 3.79 3.03 0.00 -0.62 -1.95 105.19 110.62 1pgj n GLY 210 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1pgj n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pgj s LEU 211 N 0.00 4.17 0.51 0.99 1.02 -0.17 -4.99 118.68 120.22 1pgj s LEU 211 Ca 0.00 1.89 0.02 0.00 0.02 0.00 0.00 54.13 56.05 1pgj s LEU 211 Cb 0.00 -4.19 0.02 0.00 0.02 0.00 0.00 46.19 42.04 1pgj s LEU 211 CO 0.00 -0.30 0.72 0.54 0.02 0.00 0.00 176.35 177.33 1pgj s ASN 212 N -1.72 5.45 0.31 2.29 4.22 -1.26 -4.21 114.94 120.02 1pgj s ASN 212 Ca 0.56 -0.00 0.07 0.00 -2.14 0.00 0.00 52.86 51.35 1pgj s ASN 212 Cb -0.18 -0.99 0.84 0.00 1.28 0.00 0.00 41.25 42.20 1pgj s ASN 212 CO 0.23 -0.99 1.69 0.78 -2.04 0.00 0.00 177.10 176.77 1pgj h ASN 213 N 0.22 0.43 0.33 3.54 4.21 -1.97 -0.90 115.58 121.44 1pgj h ASN 213 Ca -0.43 0.16 -0.15 0.00 1.21 0.00 0.00 56.30 57.10 1pgj h ASN 213 Cb 1.28 0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 38.59 1pgj h ASN 213 CO 0.52 -0.01 -0.60 0.44 -1.29 0.00 0.00 177.43 176.49 1pgj h ASP 214 N 0.42 0.31 0.21 5.81 3.32 -1.94 -2.89 116.42 121.66 1pgj h ASP 214 Ca 0.62 -0.17 -0.13 0.00 0.02 0.00 0.00 57.03 57.36 1pgj h ASP 214 Cb 1.23 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1pgj h ASP 214 CO -0.54 0.83 -0.48 -0.33 -1.72 0.00 0.00 179.24 177.00 1pgj h GLU 215 N 0.20 0.32 -0.38 3.56 5.08 -1.55 -2.76 114.58 119.06 1pgj h GLU 215 Ca -0.01 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.03 1pgj h GLU 215 Cb 1.10 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1pgj h GLU 215 CO 0.09 0.74 -0.32 -0.39 -1.00 0.00 0.00 179.01 178.13 1pgj h VAL 216 N 0.26 1.28 -0.75 3.13 -1.51 -1.38 -2.93 116.25 114.34 1pgj h VAL 216 Ca 0.01 -1.49 0.14 0.00 -1.23 0.00 0.00 66.70 64.14 1pgj h VAL 216 Cb 0.95 1.38 -0.10 0.00 -2.13 0.00 0.00 31.29 31.39 1pgj h VAL 216 CO 0.08 0.50 0.28 0.00 -1.23 0.00 0.00 177.57 177.20 1pgj h ALA 217 N 0.77 1.04 -0.38 5.19 0.00 -1.43 0.40 119.26 124.86 1pgj h ALA 217 Ca 0.07 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1pgj h ALA 217 Cb 0.91 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1pgj h ALA 217 CO 0.08 -0.23 0.21 0.00 0.00 0.00 0.00 179.25 179.31 1pgj h ALA 218 N 1.56 1.65 -0.17 0.00 0.00 -1.32 0.34 119.26 121.31 1pgj h ALA 218 Ca 0.41 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 1pgj h ALA 218 Cb 0.64 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1pgj h ALA 218 CO -0.42 0.29 -0.17 0.28 0.00 0.00 0.00 179.25 179.24 1pgj h VAL 219 N 0.52 1.34 -0.45 0.00 2.07 -0.09 -0.42 116.25 119.21 1pgj h VAL 219 Ca 0.14 -1.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.30 1pgj h VAL 219 Cb 0.02 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1pgj h VAL 219 CO -0.02 0.39 0.14 -0.07 0.02 0.00 0.00 177.57 178.03 1pgj h LEU 220 N 0.06 0.66 -0.70 2.57 3.38 -0.67 0.49 115.31 121.11 1pgj h LEU 220 Ca 0.03 -0.21 0.12 0.00 0.09 0.00 0.00 57.88 57.92 1pgj h LEU 220 Cb 0.70 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 41.19 1pgj h LEU 220 CO 0.04 0.69 0.25 -0.08 0.09 0.00 0.00 178.44 179.44 1pgj h GLU 221 N 0.60 0.39 -0.25 1.13 4.57 -0.23 0.21 114.58 121.00 1pgj h GLU 221 Ca 0.15 -0.02 -0.16 0.00 -1.18 0.00 0.00 59.36 58.14 1pgj h GLU 221 Cb 0.27 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 1pgj h GLU 221 CO -0.00 0.26 -0.50 0.22 -1.18 0.00 0.00 179.01 177.81 1pgj h ASP 222 N 0.41 0.76 -0.28 1.04 3.58 -0.39 -2.91 116.42 118.62 1pgj h ASP 222 Ca 0.37 -0.38 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 1pgj h ASP 222 Cb 0.54 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 1pgj h ASP 222 CO -0.38 1.12 0.10 -0.50 -2.88 0.00 0.00 179.24 176.70 1pgj h TRP 223 N 0.54 0.49 0.06 0.28 6.55 0.15 -2.08 115.95 121.95 1pgj h TRP 223 Ca 0.02 -0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.84 1pgj h TRP 223 Cb 1.06 -0.15 0.00 0.00 -0.86 0.00 0.00 29.16 29.20 1pgj h TRP 223 CO 0.05 0.42 -0.03 -0.22 -1.05 0.00 0.00 178.44 177.62 1pgj h LYS 224 N 0.49 -0.07 0.00 0.49 3.64 -0.62 -2.67 116.57 117.83 1pgj h LYS 224 Ca 0.12 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1pgj h LYS 224 Cb 0.16 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1pgj h LYS 224 CO -0.01 0.14 -0.03 0.66 -2.27 0.00 0.00 179.45 177.94 1pgj h SER 225 N -0.28 0.00 0.37 4.20 4.64 -1.28 0.31 113.55 121.52 1pgj h SER 225 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1pgj h SER 225 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1pgj h SER 225 CO 0.01 0.03 0.00 0.29 -0.87 0.00 0.00 176.83 176.29 1pgj n LYS 226 N -4.22 0.03 0.00 4.77 5.02 -0.82 -4.88 118.16 118.06 1pgj n LYS 226 Ca -0.03 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1pgj n LYS 226 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 1pgj n LYS 226 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1pgj n ASN 227 N -1.47 0.00 -0.34 4.39 5.15 0.11 -4.77 115.26 118.33 1pgj n ASN 227 Ca 0.03 0.00 0.22 0.00 -0.60 0.00 0.00 54.58 54.23 1pgj n ASN 227 Cb 0.13 0.00 0.45 0.00 -0.53 0.00 0.00 39.78 39.83 1pgj n ASN 227 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1pgj h PHE 228 N 0.00 0.91 -0.37 1.20 3.57 -1.82 -1.14 116.94 119.29 1pgj h PHE 228 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1pgj h PHE 228 Cb 0.00 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.49 1pgj h PHE 228 CO 0.00 -0.05 0.00 1.28 -2.23 0.00 0.00 178.31 177.31 1pgj n LEU 229 N -4.91 2.91 -4.69 0.59 4.32 -1.26 -4.15 117.00 109.81 1pgj n LEU 229 Ca 0.29 -1.29 -0.53 0.00 -0.02 0.00 0.00 56.01 54.46 1pgj n LEU 229 Cb 0.90 -0.24 -0.06 0.00 -1.62 0.00 0.00 43.42 42.40 1pgj n LEU 229 CO 0.15 0.64 1.42 1.17 -1.22 0.00 0.00 177.39 179.56 1pgj n LYS 230 N 1.13 1.63 -3.45 3.23 4.81 -0.43 -4.82 118.16 120.26 1pgj n LYS 230 Ca 0.18 0.60 -0.11 0.00 -0.87 0.00 0.00 58.31 58.11 1pgj n LYS 230 Cb 0.51 -2.37 -0.02 0.00 0.02 0.00 0.00 35.03 33.17 1pgj n LYS 230 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1pgj s SER 231 N 3.93 -0.52 0.10 3.14 1.04 -1.26 -0.92 113.70 119.20 1pgj s SER 231 Ca 0.96 0.03 -0.27 0.00 0.48 0.00 0.00 55.95 57.15 1pgj s SER 231 Cb -0.89 0.54 -0.11 0.00 0.10 0.00 0.00 66.02 65.66 1pgj s SER 231 CO 0.59 -0.86 1.66 0.22 0.98 0.00 0.00 173.24 175.82 1pgj h TYR 232 N 2.05 -0.58 -0.57 5.02 3.20 -1.77 -1.21 116.97 123.10 1pgj h TYR 232 Ca -0.31 0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.66 1pgj h TYR 232 Cb 1.28 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 39.75 1pgj h TYR 232 CO 0.24 -0.32 0.39 0.52 -1.64 0.00 0.00 178.16 177.34 1pgj h MET 233 N -0.46 0.38 0.14 1.82 2.86 -1.83 -0.19 114.93 117.64 1pgj h MET 233 Ca 0.01 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1pgj h MET 233 Cb 0.44 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1pgj h MET 233 CO -0.07 0.25 -0.07 1.25 1.06 0.00 0.00 176.91 179.34 1pgj h LEU 234 N 0.39 -0.16 -0.31 1.22 5.85 -1.65 -1.52 115.31 119.14 1pgj h LEU 234 Ca 0.26 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.89 1pgj h LEU 234 Cb 0.52 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.51 1pgj h LEU 234 CO -0.07 0.08 -0.30 0.44 -0.34 0.00 0.00 178.44 178.25 1pgj h ASP 235 N -0.39 -0.98 0.18 1.25 3.32 0.05 -0.06 116.42 119.79 1pgj h ASP 235 Ca -0.02 0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1pgj h ASP 235 Cb 0.31 0.45 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 1pgj h ASP 235 CO 0.03 -0.32 -0.14 0.16 -1.72 0.00 0.00 179.24 177.26 1pgj h ILE 236 N -0.28 0.96 -0.59 0.35 3.07 -1.14 -0.93 117.51 118.95 1pgj h ILE 236 Ca 0.15 -0.49 -0.09 0.00 1.55 0.00 0.00 64.86 65.98 1pgj h ILE 236 Cb 0.52 1.27 -0.02 0.00 -0.27 0.00 0.00 36.82 38.32 1pgj h ILE 236 CO -0.46 0.13 0.01 0.28 -1.05 0.00 0.00 178.15 177.06 1pgj h SER 237 N 0.00 0.99 -0.51 2.16 0.02 0.04 0.23 113.55 116.47 1pgj h SER 237 Ca -0.00 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.66 1pgj h SER 237 Cb 0.26 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1pgj h SER 237 CO 0.02 1.03 0.22 0.40 -1.14 0.00 0.00 176.83 177.36 1pgj h ILE 238 N 0.93 1.21 -0.02 3.27 2.04 -0.23 0.12 117.51 124.82 1pgj h ILE 238 Ca 0.17 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 1pgj h ILE 238 Cb 0.53 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1pgj h ILE 238 CO 0.03 0.24 0.01 0.00 0.00 0.00 0.00 178.15 178.42 1pgj h ALA 239 N 1.06 0.03 -0.81 1.87 0.00 -0.82 -1.41 119.26 119.18 1pgj h ALA 239 Ca 0.17 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.10 1pgj h ALA 239 Cb 0.17 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 1pgj h ALA 239 CO -0.02 -0.38 0.42 0.00 0.00 0.00 0.00 179.25 179.28 1pgj h ALA 240 N 0.82 1.17 -0.45 0.00 0.00 -0.28 -0.64 119.26 119.88 1pgj h ALA 240 Ca 0.01 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1pgj h ALA 240 Cb 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1pgj h ALA 240 CO -0.00 -0.04 -0.15 0.00 0.00 0.00 0.00 179.25 179.07 1pgj h ALA 241 N 1.50 0.62 -0.03 0.00 0.00 -0.45 -3.24 119.26 117.66 1pgj h ALA 241 Ca 0.42 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 1pgj h ALA 241 Cb 0.51 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1pgj h ALA 241 CO -0.31 0.55 -0.65 0.00 0.00 0.00 0.00 179.25 178.83 1pgj h ARG 242 N 0.73 0.13 -6.18 0.00 2.47 -0.56 -3.43 114.38 107.53 1pgj h ARG 242 Ca 0.11 -0.10 -0.68 0.00 -1.26 0.00 0.00 59.98 58.05 1pgj h ARG 242 Cb 0.70 0.02 0.08 0.00 -1.65 0.00 0.00 29.97 29.13 1pgj h ARG 242 CO 0.05 0.74 -0.00 0.00 0.56 0.00 0.00 179.97 181.32 1pgj n ALA 243 N -2.45 -1.92 -2.55 0.04 0.00 -0.31 -4.91 120.51 108.41 1pgj n ALA 243 Ca -0.02 0.48 -0.23 0.00 0.00 0.00 0.00 53.44 53.67 1pgj n ALA 243 Cb 0.65 -1.86 -0.13 0.00 0.00 0.00 0.00 19.45 18.11 1pgj n ALA 243 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pgj s LYS 244 N -0.56 1.18 0.75 0.00 1.02 -1.26 -1.57 119.74 119.30 1pgj s LYS 244 Ca 0.73 -0.94 -0.10 0.00 0.02 0.00 0.00 55.97 55.68 1pgj s LYS 244 Cb -0.95 -1.30 0.05 0.00 -0.52 0.00 0.00 37.83 35.11 1pgj s LYS 244 CO 0.55 0.32 1.11 0.34 -0.92 0.00 0.00 175.35 176.74 1pgj s ASP 245 N -1.36 4.89 0.48 2.83 2.15 0.16 -4.75 116.67 121.06 1pgj s ASP 245 Ca 0.05 0.80 0.19 0.00 0.43 0.00 0.00 52.55 54.02 1pgj s ASP 245 Cb -0.09 -1.44 1.19 0.00 -0.30 0.00 0.00 42.92 42.28 1pgj s ASP 245 CO 0.02 -1.64 1.99 0.11 -0.17 0.00 0.00 175.17 175.48 1pgj h LYS 246 N -0.80 0.22 0.00 4.34 1.79 -2.01 0.33 116.57 120.45 1pgj h LYS 246 Ca -0.45 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 1pgj h LYS 246 Cb 1.30 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1pgj h LYS 246 CO 0.64 0.15 0.00 -0.40 -1.08 0.00 0.00 179.45 178.76 1pgj n ASP 247 N -4.44 0.00 -1.38 0.86 5.75 -1.26 -4.86 116.55 111.22 1pgj n ASP 247 Ca 0.10 -1.71 -0.13 0.00 -0.01 0.00 0.00 54.79 53.03 1pgj n ASP 247 Cb 0.47 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.54 1pgj n ASP 247 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pgj n GLY 248 N 0.43 0.28 3.75 6.12 0.00 0.12 -5.02 105.19 110.87 1pgj n GLY 248 Ca 0.02 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 1pgj n GLY 248 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pgj s SER 249 N -2.53 4.27 0.15 1.61 1.04 -1.25 -4.87 113.70 112.13 1pgj s SER 249 Ca 0.00 -1.34 -0.30 0.00 0.48 0.00 0.00 55.95 54.79 1pgj s SER 249 Cb 0.00 0.00 -0.08 0.00 0.10 0.00 0.00 66.02 66.05 1pgj s SER 249 CO 0.00 -0.72 1.23 -0.31 0.98 0.00 0.00 173.24 174.41 1pgj s TYR 250 N -2.74 3.40 0.23 5.02 2.02 -1.26 0.37 117.35 124.39 1pgj s TYR 250 Ca 0.28 1.33 -0.08 0.00 -0.37 0.00 0.00 57.07 58.23 1pgj s TYR 250 Cb 0.03 -3.47 0.26 0.00 -0.40 0.00 0.00 41.96 38.38 1pgj s TYR 250 CO 0.15 -1.40 1.86 1.25 -1.57 0.00 0.00 175.55 175.85 1pgj h LEU 251 N 5.77 0.81 -1.47 -1.29 5.85 -1.58 -2.82 115.31 120.59 1pgj h LEU 251 Ca -0.44 0.00 0.22 0.00 0.84 0.00 0.00 57.88 58.50 1pgj h LEU 251 Cb 1.21 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 42.00 1pgj h LEU 251 CO 0.77 0.55 0.62 0.71 -0.34 0.00 0.00 178.44 180.75 1pgj h THR 252 N 0.96 0.65 0.00 1.05 1.35 -1.85 0.05 112.91 115.12 1pgj h THR 252 Ca 0.33 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 66.05 1pgj h THR 252 Cb 0.06 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 66.68 1pgj h THR 252 CO -0.13 0.08 0.00 -0.33 -0.25 0.00 0.00 175.52 174.88 1pgj h GLU 253 N 0.42 0.00 -0.28 4.72 4.39 -1.90 -1.98 114.58 119.95 1pgj h GLU 253 Ca 0.50 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.20 1pgj h GLU 253 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1pgj h GLU 253 CO -0.20 0.00 0.00 0.72 -1.16 0.00 0.00 179.01 178.37 1pgj n HIS 254 N -2.31 0.36 -3.23 4.33 8.25 -0.00 -4.97 115.22 117.65 1pgj n HIS 254 Ca 0.02 -0.26 -0.39 0.00 -0.26 0.00 0.00 57.72 56.82 1pgj n HIS 254 Cb 0.21 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.25 1pgj n HIS 254 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1pgj s VAL 255 N -1.18 5.09 -0.11 1.59 1.01 -0.75 -5.02 120.40 121.03 1pgj s VAL 255 Ca 0.27 0.99 -0.29 0.00 0.00 0.00 0.00 61.98 62.95 1pgj s VAL 255 Cb 0.16 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1pgj s VAL 255 CO 0.22 0.17 1.83 -0.32 0.00 0.00 0.00 175.10 177.00 1pgj s MET 256 N 1.66 3.86 -1.01 2.72 1.75 -1.26 -4.88 119.30 122.13 1pgj s MET 256 Ca 0.25 2.11 -0.20 0.00 -1.25 0.00 0.00 55.69 56.60 1pgj s MET 256 Cb -0.15 -4.12 -0.09 0.00 2.84 0.00 0.00 34.83 33.31 1pgj s MET 256 CO 0.10 -1.24 2.00 -0.40 -0.65 0.00 0.00 175.02 174.83 1pgj n ASP 257 N 8.46 3.03 -3.61 1.11 5.75 -1.26 -4.78 116.55 125.24 1pgj n ASP 257 Ca 0.21 -2.73 -0.25 0.00 -0.01 0.00 0.00 54.79 52.00 1pgj n ASP 257 Cb 0.43 -1.34 -0.17 0.00 -1.03 0.00 0.00 41.12 39.01 1pgj n ASP 257 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1pgj s ARG 258 N 4.63 0.05 -0.38 0.11 0.52 -1.26 -4.58 118.95 118.04 1pgj s ARG 258 Ca 0.56 -0.03 -0.20 0.00 -0.52 0.00 0.00 55.73 55.53 1pgj s ARG 258 Cb 0.12 -1.70 0.01 0.00 0.52 0.00 0.00 34.95 33.91 1pgj s ARG 258 CO 0.06 -0.64 0.62 0.42 0.02 0.00 0.00 175.30 175.78 1pgj s ILE 259 N 2.15 4.89 0.88 1.52 1.01 -1.26 -4.97 121.20 125.42 1pgj s ILE 259 Ca 0.02 0.39 -0.11 0.00 0.00 0.00 0.00 60.65 60.95 1pgj s ILE 259 Cb -0.16 -4.10 0.12 0.00 0.01 0.00 0.00 42.46 38.33 1pgj s ILE 259 CO -0.09 -0.39 1.09 -0.83 0.00 0.00 0.00 174.94 174.73 1pgj s GLY 260 N 1.85 1.62 0.13 6.18 0.00 -1.26 -4.81 107.32 111.03 1pgj s GLY 260 Ca 0.23 -0.06 -0.12 0.00 0.00 0.00 0.00 44.72 44.77 1pgj s GLY 260 CO 0.16 0.41 0.30 -0.56 0.00 0.00 0.00 173.10 173.42 1pgj s SER 261 N -3.47 -0.04 -0.08 1.64 0.01 -1.26 -5.07 113.70 105.44 1pgj s SER 261 Ca 0.63 -0.59 0.11 0.00 1.31 0.00 0.00 55.95 57.41 1pgj s SER 261 Cb -0.18 0.42 0.19 0.00 0.21 0.00 0.00 66.02 66.67 1pgj s SER 261 CO 0.57 -0.83 1.10 0.29 0.41 0.00 0.00 173.24 174.77 1pgj n LYS 262 N -0.17 0.71 0.00 12.44 5.02 -1.26 -5.07 118.16 129.83 1pgj n LYS 262 Ca -0.13 -1.96 0.00 0.00 -2.02 0.00 0.00 58.31 54.20 1pgj n LYS 262 Cb 0.63 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.62 1pgj n LYS 262 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pgj n GLY 263 N -0.73 2.94 0.28 0.72 0.00 -1.26 -4.92 105.19 102.23 1pgj n GLY 263 Ca 0.09 -0.77 0.03 0.00 0.00 0.00 0.00 46.02 45.38 1pgj n GLY 263 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1pgj h THR 264 N 0.00 0.26 -0.58 2.61 1.35 -1.94 0.19 112.91 114.80 1pgj h THR 264 Ca 0.00 -0.01 0.01 0.00 -0.55 0.00 0.00 66.41 65.86 1pgj h THR 264 Cb 0.00 0.23 -0.03 0.00 -1.73 0.00 0.00 68.15 66.62 1pgj h THR 264 CO 0.00 0.01 0.38 1.23 -0.25 0.00 0.00 175.52 176.89 1pgj h GLY 265 N 0.03 0.81 0.85 5.82 0.00 -1.85 -2.32 103.07 106.41 1pgj h GLY 265 Ca 0.39 -0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.45 1pgj h GLY 265 CO -0.75 0.30 0.42 -2.00 0.00 0.00 0.00 176.54 174.51 1pgj h LEU 266 N 0.78 0.69 -0.35 3.11 5.85 -1.12 -2.48 115.31 121.80 1pgj h LEU 266 Ca 0.21 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.75 1pgj h LEU 266 Cb -0.09 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.80 1pgj h LEU 266 CO -0.05 0.47 -0.62 -0.50 -0.34 0.00 0.00 178.44 177.40 1pgj h TRP 267 N 0.82 0.91 -0.99 1.25 6.55 -0.87 -2.26 115.95 121.35 1pgj h TRP 267 Ca 0.28 -0.35 0.04 0.00 0.95 0.00 0.00 58.89 59.81 1pgj h TRP 267 Cb 0.04 -0.16 -0.06 0.00 -0.86 0.00 0.00 29.16 28.12 1pgj h TRP 267 CO -0.05 1.14 0.65 0.77 -1.05 0.00 0.00 178.44 179.90 1pgj h SER 268 N 0.52 1.07 -0.38 -3.49 0.02 -1.23 0.16 113.55 110.23 1pgj h SER 268 Ca -0.01 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1pgj h SER 268 Cb 1.22 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 1pgj h SER 268 CO 0.13 0.72 0.11 0.00 -1.14 0.00 0.00 176.83 176.65 1pgj h ALA 269 N 1.42 0.50 -0.10 3.77 0.00 -1.25 -0.76 119.26 122.83 1pgj h ALA 269 Ca 0.40 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 1pgj h ALA 269 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1pgj h ALA 269 CO -0.13 0.15 -0.33 1.96 0.00 0.00 0.00 179.25 180.90 1pgj h GLN 270 N 0.47 0.20 0.01 0.00 4.20 -0.66 -1.93 115.11 117.40 1pgj h GLN 270 Ca 0.12 -0.08 -0.24 0.00 0.06 0.00 0.00 58.65 58.52 1pgj h GLN 270 Cb 0.28 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 1pgj h GLN 270 CO -0.00 0.51 -1.20 0.93 -0.67 0.00 0.00 178.83 178.40 1pgj h GLU 271 N 0.18 0.03 -0.78 1.46 4.39 -0.54 -1.20 114.58 118.12 1pgj h GLU 271 Ca 0.02 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 1pgj h GLU 271 Cb 0.67 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.30 1pgj h GLU 271 CO 0.05 0.91 0.30 0.00 -1.16 0.00 0.00 179.01 179.11 1pgj h ALA 272 N 0.94 1.06 -0.15 3.43 0.00 -0.92 0.62 119.26 124.24 1pgj h ALA 272 Ca -0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1pgj h ALA 272 Cb 1.85 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1pgj h ALA 272 CO 0.13 0.66 -0.04 1.25 0.00 0.00 0.00 179.25 181.24 1pgj h LEU 273 N 1.14 0.29 0.47 0.00 5.85 -1.36 -1.66 115.31 120.04 1pgj h LEU 273 Ca 0.26 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1pgj h LEU 273 Cb 0.23 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1pgj h LEU 273 CO -0.02 0.60 -0.42 -0.08 -0.34 0.00 0.00 178.44 178.18 1pgj h GLU 274 N -0.02 -0.84 0.00 1.25 4.57 -0.69 -1.98 114.58 116.87 1pgj h GLU 274 Ca 0.04 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1pgj h GLU 274 Cb 0.48 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 1pgj h GLU 274 CO 0.02 -0.56 0.00 0.44 -1.18 0.00 0.00 179.01 177.72 1pgj n ILE 275 N -4.99 1.14 -0.43 2.32 -5.35 0.16 -4.87 119.36 107.34 1pgj n ILE 275 Ca -0.11 0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.72 1pgj n ILE 275 Cb 0.39 -1.23 0.00 0.00 -1.74 0.00 0.00 39.64 37.06 1pgj n ILE 275 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pgj n GLY 276 N -0.43 0.77 3.73 3.28 0.00 -0.73 -5.05 105.19 106.75 1pgj n GLY 276 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1pgj n GLY 276 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pgj s VAL 277 N -2.21 4.81 -0.22 1.61 1.01 -0.70 -4.99 120.40 119.70 1pgj s VAL 277 Ca 0.00 1.74 -0.29 0.00 0.00 0.00 0.00 61.98 63.43 1pgj s VAL 277 Cb 0.00 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1pgj s VAL 277 CO 0.00 0.29 1.63 -2.16 0.00 0.00 0.00 175.10 174.85 1pgj s PRO 278 N 0.40 3.77 -0.39 2.72 0.04 -1.26 -4.48 135.00 135.80 1pgj s PRO 278 Ca 0.42 1.65 0.09 0.00 0.04 0.00 0.00 61.00 63.20 1pgj s PRO 278 Cb -0.20 -4.04 0.26 0.00 0.04 0.00 0.00 34.50 30.56 1pgj s PRO 278 CO 0.24 -1.32 0.56 0.00 0.04 0.00 0.00 177.00 176.52 1pgj n ALA 279 N 8.54 2.24 -0.36 8.56 0.00 -1.26 -4.92 120.51 133.31 1pgj n ALA 279 Ca 0.19 -3.33 -0.00 0.00 0.00 0.00 0.00 53.44 50.30 1pgj n ALA 279 Cb 0.45 -0.84 0.15 0.00 0.00 0.00 0.00 19.45 19.21 1pgj n ALA 279 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1pgj h PRO 280 N 3.85 1.23 -0.28 0.00 0.13 -1.91 -1.67 132.00 133.34 1pgj h PRO 280 Ca 0.07 -0.07 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 1pgj h PRO 280 Cb 0.90 -0.28 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 1pgj h PRO 280 CO 0.46 0.81 -0.32 0.77 -0.23 0.00 0.00 178.00 179.49 1pgj h SER 281 N 1.26 0.60 0.01 1.44 0.02 -1.92 -0.61 113.55 114.36 1pgj h SER 281 Ca 0.38 -0.24 -0.15 0.00 -0.84 0.00 0.00 61.79 60.95 1pgj h SER 281 Cb -0.04 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 1pgj h SER 281 CO -0.11 0.88 -0.48 -0.07 -1.14 0.00 0.00 176.83 175.92 1pgj h LEU 282 N 0.50 0.59 -0.11 5.07 3.38 -1.81 -1.94 115.31 120.98 1pgj h LEU 282 Ca 0.06 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1pgj h LEU 282 Cb 0.80 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1pgj h LEU 282 CO 0.07 0.97 -0.13 0.78 0.09 0.00 0.00 178.44 180.22 1pgj h ASN 283 N 0.43 0.31 1.18 -0.43 2.35 -1.10 -3.20 115.58 115.12 1pgj h ASN 283 Ca 0.02 -0.50 -0.01 0.00 -0.55 0.00 0.00 56.30 55.26 1pgj h ASN 283 Cb 1.00 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 39.28 1pgj h ASN 283 CO 0.09 0.75 -0.06 0.24 -1.65 0.00 0.00 177.43 176.80 1pgj h MET 284 N -0.12 0.00 -0.36 0.81 2.86 -1.13 -2.85 114.93 114.15 1pgj h MET 284 Ca 0.02 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1pgj h MET 284 Cb 0.66 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 1pgj h MET 284 CO 0.03 0.06 0.18 0.00 1.06 0.00 0.00 176.91 178.24 1pgj h ALA 285 N 1.94 0.46 -0.20 6.32 0.00 -1.34 0.28 119.26 126.72 1pgj h ALA 285 Ca -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1pgj h ALA 285 Cb 0.66 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1pgj h ALA 285 CO 0.01 0.01 0.04 0.28 0.00 0.00 0.00 179.25 179.58 1pgj h VAL 286 N 0.45 1.22 -0.63 0.00 2.07 -1.57 -2.96 116.25 114.82 1pgj h VAL 286 Ca 0.12 -0.72 0.04 0.00 0.82 0.00 0.00 66.70 66.96 1pgj h VAL 286 Cb 0.09 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 1pgj h VAL 286 CO -0.02 0.22 0.37 0.58 0.02 0.00 0.00 177.57 178.74 1pgj h VAL 287 N 0.13 1.02 -0.75 2.57 2.07 -1.25 -0.97 116.25 119.06 1pgj h VAL 287 Ca 0.06 -0.24 0.12 0.00 0.82 0.00 0.00 66.70 67.46 1pgj h VAL 287 Cb 0.31 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 1pgj h VAL 287 CO 0.00 0.13 0.50 0.77 0.02 0.00 0.00 177.57 178.99 1pgj h SER 288 N 0.70 0.51 -0.27 0.57 4.64 -0.32 0.66 113.55 120.05 1pgj h SER 288 Ca 0.27 0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 61.42 1pgj h SER 288 Cb 0.10 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1pgj h SER 288 CO -0.14 0.29 -0.55 0.03 -0.87 0.00 0.00 176.83 175.59 1pgj h ARG 289 N 0.56 0.86 -0.93 4.77 3.08 -1.08 -2.96 114.38 118.68 1pgj h ARG 289 Ca 0.36 -0.55 0.05 0.00 0.07 0.00 0.00 59.98 59.90 1pgj h ARG 289 Cb 0.62 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.68 1pgj h ARG 289 CO -0.13 1.18 0.60 1.96 -1.07 0.00 0.00 179.97 182.51 1pgj h GLN 290 N 0.66 1.10 -0.43 0.04 4.20 0.14 -1.21 115.11 119.61 1pgj h GLN 290 Ca 0.01 -0.07 0.08 0.00 0.06 0.00 0.00 58.65 58.74 1pgj h GLN 290 Cb 1.16 -0.25 -0.08 0.00 0.30 0.00 0.00 27.48 28.62 1pgj h GLN 290 CO 0.12 0.73 -0.05 0.74 -0.67 0.00 0.00 178.83 179.70 1pgj h PHE 291 N 1.13 -0.12 -0.66 2.96 0.04 -0.47 -2.47 116.94 117.36 1pgj h PHE 291 Ca 0.38 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 61.13 1pgj h PHE 291 Cb 0.07 0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.31 1pgj h PHE 291 CO -0.01 -0.14 0.17 1.79 -0.60 0.00 0.00 178.31 179.52 1pgj h THR 292 N 0.06 1.25 0.00 -1.55 1.35 -1.11 -2.36 112.91 110.55 1pgj h THR 292 Ca 0.21 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1pgj h THR 292 Cb 0.31 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 67.30 1pgj h THR 292 CO -0.40 0.35 0.00 0.24 -0.25 0.00 0.00 175.52 175.47 1pgj h MET 293 N 1.00 0.00 -1.58 4.72 2.86 -0.97 -2.80 114.93 118.16 1pgj h MET 293 Ca 0.21 0.00 -0.63 0.00 -2.06 0.00 0.00 59.70 57.22 1pgj h MET 293 Cb 0.34 0.00 -0.24 0.00 0.06 0.00 0.00 31.60 31.76 1pgj h MET 293 CO 0.00 0.00 0.79 0.66 1.06 0.00 0.00 176.91 179.42 1pgj n TYR 294 N -2.78 2.62 -0.10 -0.22 4.02 -0.89 -4.61 117.16 115.21 1pgj n TYR 294 Ca -0.01 -2.45 -0.06 0.00 -0.01 0.00 0.00 57.90 55.37 1pgj n TYR 294 Cb 0.13 -1.28 0.01 0.00 -0.02 0.00 0.00 39.34 38.18 1pgj n TYR 294 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1pgj h LYS 295 N 2.42 0.11 0.25 -0.72 1.63 -1.68 -0.01 116.57 118.58 1pgj h LYS 295 Ca 0.51 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.30 1pgj h LYS 295 Cb 0.55 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.14 1pgj h LYS 295 CO 1.30 0.07 -0.20 1.15 -3.45 0.00 0.00 179.45 178.32 1pgj h THR 296 N 0.11 0.57 -0.57 1.00 2.02 -1.90 0.62 112.91 114.77 1pgj h THR 296 Ca 0.17 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.37 1pgj h THR 296 Cb 0.23 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 1pgj h THR 296 CO -0.27 0.00 0.34 -0.08 0.37 0.00 0.00 175.52 175.88 1pgj h GLU 297 N -0.46 0.66 -0.99 6.66 4.81 -1.85 -1.24 114.58 122.16 1pgj h GLU 297 Ca -0.01 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.23 1pgj h GLU 297 Cb 0.41 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.58 1pgj h GLU 297 CO -0.01 0.44 0.65 0.00 -0.73 0.00 0.00 179.01 179.35 1pgj h ARG 298 N 0.68 1.15 -0.50 1.92 3.08 -0.57 0.60 114.38 120.74 1pgj h ARG 298 Ca 0.23 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.12 1pgj h ARG 298 Cb 0.02 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.79 1pgj h ARG 298 CO -0.10 0.76 -0.03 1.96 -1.07 0.00 0.00 179.97 181.50 1pgj h GLN 299 N 1.19 0.87 -0.13 0.04 4.20 0.23 -1.56 115.11 119.95 1pgj h GLN 299 Ca 0.42 -0.26 -0.07 0.00 0.06 0.00 0.00 58.65 58.80 1pgj h GLN 299 Cb 0.13 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 1pgj h GLN 299 CO -0.16 0.89 -0.18 0.00 -0.67 0.00 0.00 178.83 178.71 1pgj h ALA 300 N 1.16 0.20 -0.61 3.87 0.00 -0.33 -2.45 119.26 121.10 1pgj h ALA 300 Ca 0.15 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.77 1pgj h ALA 300 Cb 0.52 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1pgj h ALA 300 CO 0.03 0.12 0.31 -0.91 0.00 0.00 0.00 179.25 178.80 1pgj h ASN 301 N -0.04 0.43 -0.84 0.00 2.35 -0.83 -1.15 115.58 115.50 1pgj h ASN 301 Ca 0.01 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1pgj h ASN 301 Cb 0.74 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 39.03 1pgj h ASN 301 CO 0.04 0.28 0.45 0.00 -1.65 0.00 0.00 177.43 176.55 1pgj h ALA 302 N 1.34 1.08 -0.50 -0.83 0.00 -1.23 -2.19 119.26 116.93 1pgj h ALA 302 Ca 0.28 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1pgj h ALA 302 Cb 0.22 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1pgj h ALA 302 CO -0.20 0.61 0.19 0.77 0.00 0.00 0.00 179.25 180.62 1pgj h SER 303 N 1.18 0.70 1.07 0.00 0.02 -0.75 -2.15 113.55 113.61 1pgj h SER 303 Ca 0.29 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1pgj h SER 303 Cb 0.05 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1pgj h SER 303 CO -0.04 0.68 0.00 0.78 -1.14 0.00 0.00 176.83 177.11 1pgj h ASN 304 N 0.67 0.00 -1.83 3.07 4.21 -1.11 -3.34 115.58 117.25 1pgj h ASN 304 Ca 0.17 0.00 -0.52 0.00 1.21 0.00 0.00 56.30 57.15 1pgj h ASN 304 Cb 0.21 0.00 -0.37 0.00 -1.12 0.00 0.00 38.32 37.04 1pgj h ASN 304 CO -0.01 0.00 -1.06 0.00 -1.29 0.00 0.00 177.43 175.06 1pgj n ALA 305 N -1.90 2.07 -1.75 -0.83 0.00 -0.84 -5.10 120.51 112.15 1pgj n ALA 305 Ca 0.02 -3.23 -0.39 0.00 0.00 0.00 0.00 53.44 49.85 1pgj n ALA 305 Cb 0.32 -0.86 0.04 0.00 0.00 0.00 0.00 19.45 18.94 1pgj n ALA 305 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1pgj s PRO 306 N -1.12 3.29 -1.09 0.00 0.04 -0.84 -3.04 135.00 132.24 1pgj s PRO 306 Ca 0.35 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.70 1pgj s PRO 306 Cb 0.19 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1pgj s PRO 306 CO -0.12 -1.10 0.00 0.41 0.04 0.00 0.00 177.00 176.24 1pgj n GLY 307 N 0.68 -0.13 0.20 0.56 0.00 -1.26 -4.85 105.19 100.38 1pgj n GLY 307 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 1pgj n GLY 307 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1pgj h ILE 308 N 0.00 1.34 -0.15 -0.61 2.10 -1.90 -2.99 117.51 115.29 1pgj h ILE 308 Ca -0.28 -2.01 0.00 0.00 1.08 0.00 0.00 64.86 63.65 1pgj h ILE 308 Cb 1.12 1.99 0.00 0.00 -1.09 0.00 0.00 36.82 38.84 1pgj h ILE 308 CO 0.34 0.62 0.00 0.35 -1.08 0.00 0.00 178.15 178.38 1pgj n THR 309 N -3.89 0.20 -1.67 2.19 -2.24 -1.26 -4.92 114.28 102.69 1pgj n THR 309 Ca -0.05 -0.21 -0.48 0.00 -2.27 0.00 0.00 64.05 61.04 1pgj n THR 309 Cb 0.69 0.10 -0.05 0.00 -2.10 0.00 0.00 70.33 68.97 1pgj n THR 309 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1pgj n GLN 310 N -0.05 1.96 -4.52 -0.78 -0.06 -1.13 -4.81 117.38 107.98 1pgj n GLN 310 Ca 0.07 0.71 -0.24 0.00 -2.00 0.00 0.00 57.00 55.54 1pgj n GLN 310 Cb 0.14 -2.48 -0.11 0.00 -4.06 0.00 0.00 30.24 23.73 1pgj n GLN 310 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 1pgj s SER 311 N 2.06 3.00 0.13 1.69 1.04 -1.26 -5.06 113.70 115.31 1pgj s SER 311 Ca 0.85 -1.38 -0.20 0.00 0.48 0.00 0.00 55.95 55.70 1pgj s SER 311 Cb -0.75 -0.19 -0.01 0.00 0.10 0.00 0.00 66.02 65.18 1pgj s SER 311 CO 0.45 -0.56 1.70 -0.65 0.98 0.00 0.00 173.24 175.16 1pgj h PRO 312 N 1.96 -0.01 0.00 4.02 0.11 -1.82 -3.49 132.00 132.76 1pgj h PRO 312 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1pgj h PRO 312 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1pgj h PRO 312 CO 0.74 -0.01 0.00 0.41 -0.21 0.00 0.00 178.00 178.93 1pgj n GLY 313 N -1.22 1.65 3.15 -0.55 0.00 -0.36 -5.05 105.19 102.81 1pgj n GLY 313 Ca -0.02 -1.96 0.04 0.00 0.00 0.00 0.00 46.02 44.09 1pgj n GLY 313 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1pgj s TYR 314 N -2.39 -1.53 -0.13 1.61 6.14 -1.26 -4.86 117.35 114.93 1pgj s TYR 314 Ca 0.00 1.33 -0.07 0.00 0.64 0.00 0.00 57.07 58.97 1pgj s TYR 314 Cb 0.00 0.43 -0.04 0.00 0.42 0.00 0.00 41.96 42.77 1pgj s TYR 314 CO 0.00 -0.86 0.13 0.99 0.64 0.00 0.00 175.55 176.45 1pgj s THR 315 N 2.86 5.38 0.35 4.34 2.01 -1.26 -4.28 115.64 125.04 1pgj s THR 315 Ca 0.16 0.16 -0.25 0.00 0.31 0.00 0.00 61.69 62.07 1pgj s THR 315 Cb -0.12 -3.36 -0.10 0.00 0.01 0.00 0.00 72.50 68.93 1pgj s THR 315 CO -0.22 0.59 0.97 -0.76 -0.69 0.00 0.00 174.62 174.51 1pgj s LEU 316 N -0.75 4.26 -0.04 4.42 1.43 -0.82 -5.02 118.68 122.16 1pgj s LEU 316 Ca 0.13 1.87 -0.06 0.00 -1.03 0.00 0.00 54.13 55.05 1pgj s LEU 316 Cb -0.12 -4.10 -0.03 0.00 0.03 0.00 0.00 46.19 41.97 1pgj s LEU 316 CO 0.03 -0.18 0.31 0.11 0.23 0.00 0.00 176.35 176.85 1pgj h LYS 317 N 2.91 -0.19 -5.10 1.70 1.57 -1.98 -3.43 116.57 112.05 1pgj h LYS 317 Ca -0.47 0.01 -0.64 0.00 -1.87 0.00 0.00 60.65 57.68 1pgj h LYS 317 Cb 1.19 0.04 -0.22 0.00 0.08 0.00 0.00 32.23 33.32 1pgj h LYS 317 CO 0.64 -0.13 -0.65 0.54 -0.57 0.00 0.00 179.45 179.29 1pgj s ASN 318 N -4.30 4.94 0.00 0.86 4.22 -1.26 -4.93 114.94 114.47 1pgj s ASN 318 Ca -0.03 -0.19 0.09 0.00 -2.14 0.00 0.00 52.86 50.59 1pgj s ASN 318 Cb 0.00 -1.85 0.40 0.00 1.28 0.00 0.00 41.25 41.07 1pgj s ASN 318 CO 0.09 0.05 1.27 0.29 -2.04 0.00 0.00 177.10 176.76 1pgj n LYS 319 N 4.34 1.23 -3.22 3.55 4.01 -1.26 -4.62 118.16 122.20 1pgj n LYS 319 Ca -0.17 -0.35 -0.38 0.00 -0.51 0.00 0.00 58.31 56.90 1pgj n LYS 319 Cb 0.52 -1.16 -0.06 0.00 -0.51 0.00 0.00 35.03 33.82 1pgj n LYS 319 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1pgj s SER 320 N -1.19 7.07 0.13 4.39 0.15 -1.26 -4.94 113.70 118.04 1pgj s SER 320 Ca 0.14 1.31 0.05 0.00 0.70 0.00 0.00 55.95 58.16 1pgj s SER 320 Cb 0.07 -2.38 0.28 0.00 -1.71 0.00 0.00 66.02 62.29 1pgj s SER 320 CO 0.11 0.19 1.00 -2.65 1.20 0.00 0.00 173.24 173.09 1pgj n PRO 321 N 1.36 0.04 0.00 5.44 -0.02 -1.26 0.63 135.00 141.18 1pgj n PRO 321 Ca -0.07 0.41 0.13 0.00 -2.02 0.00 0.00 63.50 61.94 1pgj n PRO 321 Cb 0.51 -1.86 0.46 0.00 -0.02 0.00 0.00 33.50 32.59 1pgj n PRO 321 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1pgj n SER 322 N -1.60 0.27 -4.68 2.55 3.41 -1.26 -4.58 113.62 107.74 1pgj n SER 322 Ca -0.00 0.05 -0.45 0.00 -0.26 0.00 0.00 58.87 58.20 1pgj n SER 322 Cb 0.25 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.04 1pgj n SER 322 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pgj n GLY 323 N 1.47 1.09 0.29 5.00 0.00 0.20 -4.85 105.19 108.40 1pgj n GLY 323 Ca 0.07 0.61 0.03 0.00 0.00 0.00 0.00 46.02 46.74 1pgj n GLY 323 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pgj h PRO 324 N 5.57 0.64 -0.19 1.61 0.13 -1.89 -0.24 132.00 137.63 1pgj h PRO 324 Ca -0.45 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1pgj h PRO 324 Cb 1.25 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1pgj h PRO 324 CO 0.86 0.43 0.13 0.93 -0.23 0.00 0.00 178.00 180.11 1pgj h GLU 325 N 0.66 0.25 -0.21 0.86 3.07 -1.95 -0.75 114.58 116.51 1pgj h GLU 325 Ca 0.40 -0.02 0.06 0.00 -0.50 0.00 0.00 59.36 59.30 1pgj h GLU 325 Cb 0.45 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1pgj h GLU 325 CO -0.29 0.17 0.15 0.82 -1.40 0.00 0.00 179.01 178.46 1pgj h ILE 326 N 0.26 0.91 -0.31 3.13 1.08 -1.49 -1.12 117.51 119.96 1pgj h ILE 326 Ca 0.07 -0.01 -0.10 0.00 -0.39 0.00 0.00 64.86 64.43 1pgj h ILE 326 Cb -0.03 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 34.59 1pgj h ILE 326 CO -0.02 0.00 -0.18 0.50 -0.69 0.00 0.00 178.15 177.76 1pgj h LYS 327 N 0.03 0.67 -0.26 2.37 1.63 0.35 -2.53 116.57 118.84 1pgj h LYS 327 Ca 0.10 -0.31 -0.16 0.00 -0.85 0.00 0.00 60.65 59.43 1pgj h LYS 327 Cb 0.37 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 1pgj h LYS 327 CO -0.00 0.91 -0.49 1.96 -3.45 0.00 0.00 179.45 178.37 1pgj h GLN 328 N 0.43 0.71 -0.65 1.90 4.20 -0.60 -2.56 115.11 118.54 1pgj h GLN 328 Ca 0.06 -0.42 0.13 0.00 0.06 0.00 0.00 58.65 58.49 1pgj h GLN 328 Cb 0.72 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.50 1pgj h GLN 328 CO 0.05 1.04 0.44 1.25 -0.67 0.00 0.00 178.83 180.94 1pgj h LEU 329 N 0.56 0.29 0.10 1.46 5.85 -1.21 -0.79 115.31 121.57 1pgj h LEU 329 Ca 0.03 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1pgj h LEU 329 Cb 1.05 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1pgj h LEU 329 CO 0.10 0.16 -0.05 0.22 -0.34 0.00 0.00 178.44 178.53 1pgj h TYR 330 N 0.31 -0.12 -0.55 1.25 3.20 -1.04 -1.30 116.97 118.73 1pgj h TYR 330 Ca 0.31 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.18 1pgj h TYR 330 Cb 0.79 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.07 1pgj h TYR 330 CO -0.00 0.06 0.34 -0.44 -1.64 0.00 0.00 178.16 176.48 1pgj h ASP 331 N -0.28 0.64 0.71 -2.11 5.19 -1.07 -1.03 116.42 118.47 1pgj h ASP 331 Ca -0.01 -0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.34 1pgj h ASP 331 Cb 0.23 -0.16 0.01 0.00 0.18 0.00 0.00 39.33 39.59 1pgj h ASP 331 CO 0.02 0.48 -0.34 0.28 -3.12 0.00 0.00 179.24 176.57 1pgj h SER 332 N 0.75 -0.80 -0.11 6.45 0.02 -0.94 -1.32 113.55 117.60 1pgj h SER 332 Ca 0.20 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.19 1pgj h SER 332 Cb -0.05 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 1pgj h SER 332 CO -0.04 -0.52 -0.08 0.58 -1.14 0.00 0.00 176.83 175.63 1pgj h VAL 333 N -1.03 0.76 -0.52 2.27 2.07 -0.87 0.24 116.25 119.17 1pgj h VAL 333 Ca -0.10 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.51 1pgj h VAL 333 Cb 0.75 0.76 -0.10 0.00 -1.52 0.00 0.00 31.29 31.17 1pgj h VAL 333 CO 0.16 0.00 -0.37 0.00 0.02 0.00 0.00 177.57 177.37 1pgj h ILE 335 N -0.22 1.26 -0.00 0.00 2.04 -0.77 -1.25 117.51 118.56 1pgj h ILE 335 Ca 0.19 -0.98 0.01 0.00 1.00 0.00 0.00 64.86 65.08 1pgj h ILE 335 Cb 0.56 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1pgj h ILE 335 CO -0.64 0.38 -0.06 0.00 0.00 0.00 0.00 178.15 177.83 1pgj h ALA 336 N 1.09 -0.06 -0.61 1.87 0.00 0.81 -1.90 119.26 120.46 1pgj h ALA 336 Ca 0.23 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1pgj h ALA 336 Cb 0.38 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1pgj h ALA 336 CO 0.00 -0.55 0.33 0.82 0.00 0.00 0.00 179.25 179.86 1pgj h ILE 337 N -0.10 1.20 -0.95 0.00 2.04 -0.37 -2.02 117.51 117.31 1pgj h ILE 337 Ca 0.03 -0.50 0.04 0.00 1.00 0.00 0.00 64.86 65.42 1pgj h ILE 337 Cb 0.13 0.41 -0.06 0.00 -0.74 0.00 0.00 36.82 36.57 1pgj h ILE 337 CO -0.06 0.22 0.62 0.40 0.00 0.00 0.00 178.15 179.32 1pgj h ILE 338 N 0.83 1.16 0.00 -0.67 2.04 -0.91 -1.65 117.51 118.32 1pgj h ILE 338 Ca 0.22 -0.41 -0.07 0.00 1.00 0.00 0.00 64.86 65.60 1pgj h ILE 338 Cb 0.05 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 35.98 1pgj h ILE 338 CO -0.03 0.22 -0.31 0.77 0.00 0.00 0.00 178.15 178.79 1pgj h SER 339 N 1.20 0.00 0.12 1.72 4.64 -0.73 -0.78 113.55 119.71 1pgj h SER 339 Ca 0.38 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.69 1pgj h SER 339 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1pgj h SER 339 CO -0.12 0.31 -0.06 0.00 -0.87 0.00 0.00 176.83 176.09 1pgj h TYR 341 N -0.45 0.98 0.19 0.00 0.05 -1.27 -1.25 116.97 115.22 1pgj h TYR 341 Ca -0.02 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.80 1pgj h TYR 341 Cb 0.37 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.75 1pgj h TYR 341 CO 0.02 0.62 -0.29 0.00 -1.05 0.00 0.00 178.16 177.46 1pgj h ALA 342 N 1.28 -0.54 -0.45 3.88 0.00 -0.93 -1.33 119.26 121.17 1pgj h ALA 342 Ca 0.28 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.22 1pgj h ALA 342 Cb -0.12 0.45 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 1pgj h ALA 342 CO -0.06 -0.85 -0.04 1.96 0.00 0.00 0.00 179.25 180.25 1pgj h GLN 343 N -0.55 0.06 -0.44 0.00 4.20 -0.77 -0.94 115.11 116.68 1pgj h GLN 343 Ca 0.01 -0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.80 1pgj h GLN 343 Cb 0.55 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.25 1pgj h GLN 343 CO -0.13 0.04 0.03 1.98 -0.67 0.00 0.00 178.83 180.08 1pgj h MET 344 N 0.07 0.14 -0.13 1.46 4.05 -0.67 -1.09 114.93 118.75 1pgj h MET 344 Ca 0.22 -0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.54 1pgj h MET 344 Cb 0.34 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 1pgj h MET 344 CO -0.41 0.09 -0.36 0.74 0.23 0.00 0.00 176.91 177.20 1pgj h PHE 345 N 0.14 0.31 -0.27 1.39 0.04 -0.32 -2.45 116.94 115.79 1pgj h PHE 345 Ca 0.22 -0.08 -0.12 0.00 2.80 0.00 0.00 57.97 60.79 1pgj h PHE 345 Cb 0.31 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 1pgj h PHE 345 CO -0.26 0.60 -0.33 1.96 -0.60 0.00 0.00 178.31 179.67 1pgj h GLN 346 N 0.23 0.57 -0.48 1.51 1.08 -0.40 -0.50 115.11 117.12 1pgj h GLN 346 Ca 0.03 -0.26 -0.00 0.00 -1.45 0.00 0.00 58.65 56.96 1pgj h GLN 346 Cb 0.74 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.14 1pgj h GLN 346 CO 0.06 0.83 0.29 0.00 -0.95 0.00 0.00 178.83 179.06 1pgj h LEU 348 N 0.64 0.77 0.12 0.00 3.38 -1.19 0.48 115.31 119.52 1pgj h LEU 348 Ca 0.17 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1pgj h LEU 348 Cb -0.01 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1pgj h LEU 348 CO -0.03 0.93 -0.06 0.03 0.09 0.00 0.00 178.44 179.40 1pgj h ARG 349 N 0.69 -0.16 -0.40 1.13 3.08 -0.33 -0.82 114.38 117.58 1pgj h ARG 349 Ca 0.11 0.01 -0.12 0.00 0.07 0.00 0.00 59.98 60.05 1pgj h ARG 349 Cb 0.64 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1pgj h ARG 349 CO 0.04 -0.09 -0.24 0.93 -1.07 0.00 0.00 179.97 179.55 1pgj h GLU 350 N -0.18 0.82 -0.44 0.04 4.39 -1.10 -2.94 114.58 115.17 1pgj h GLU 350 Ca -0.02 -0.34 0.07 0.00 0.34 0.00 0.00 59.36 59.41 1pgj h GLU 350 Cb 0.14 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.70 1pgj h GLU 350 CO 0.03 0.97 0.08 1.98 -1.16 0.00 0.00 179.01 180.92 1pgj h MET 351 N 0.71 0.21 0.10 2.33 4.05 -0.62 -0.67 114.93 121.05 1pgj h MET 351 Ca 0.09 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.51 1pgj h MET 351 Cb 0.77 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.50 1pgj h MET 351 CO 0.06 0.14 -0.19 0.22 0.23 0.00 0.00 176.91 177.38 1pgj h ASP 352 N 0.22 -0.52 -0.65 1.39 3.58 -1.02 -0.25 116.42 119.16 1pgj h ASP 352 Ca 0.22 0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.70 1pgj h ASP 352 Cb 0.28 0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.49 1pgj h ASP 352 CO -0.29 -0.27 0.31 0.07 -2.88 0.00 0.00 179.24 176.18 1pgj h LYS 353 N -0.36 0.94 0.91 0.28 2.10 -1.26 0.86 116.57 120.04 1pgj h LYS 353 Ca 0.03 -0.14 -0.04 0.00 -2.00 0.00 0.00 60.65 58.49 1pgj h LYS 353 Cb 0.38 -0.17 0.01 0.00 -0.90 0.00 0.00 32.23 31.55 1pgj h LYS 353 CO -0.10 0.76 -0.44 0.28 -2.00 0.00 0.00 179.45 177.94 1pgj h VAL 354 N 0.90 0.00 0.00 0.07 2.07 -0.95 -3.11 116.25 115.24 1pgj h VAL 354 Ca 0.22 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.74 1pgj h VAL 354 Cb 0.13 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1pgj h VAL 354 CO -0.03 0.00 0.00 1.41 0.02 0.00 0.00 177.57 178.97 1pgj n HIS 355 N -5.30 0.00 -3.79 1.57 8.25 -0.12 -4.97 115.22 110.86 1pgj n HIS 355 Ca -0.15 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.05 1pgj n HIS 355 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 1pgj n HIS 355 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1pgj n ASN 356 N -0.81 -4.93 0.02 0.41 3.02 0.30 -4.91 115.26 108.36 1pgj n ASN 356 Ca 0.15 -0.96 -0.02 0.00 -0.03 0.00 0.00 54.58 53.71 1pgj n ASN 356 Cb 0.07 -1.88 -0.10 0.00 -0.61 0.00 0.00 39.78 37.26 1pgj n ASN 356 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1pgj h PHE 357 N -0.54 0.00 -0.53 3.10 0.04 -1.84 -3.46 116.94 113.71 1pgj h PHE 357 Ca -0.61 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.08 1pgj h PHE 357 Cb 1.38 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.52 1pgj h PHE 357 CO 0.24 0.69 -0.10 0.41 -0.60 0.00 0.00 178.31 178.96 1pgj n GLY 358 N 1.43 0.25 3.75 -1.45 0.00 -1.26 -2.54 105.19 105.37 1pgj n GLY 358 Ca -0.11 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 1pgj n GLY 358 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pgj s LEU 359 N -1.12 4.44 -0.56 0.99 0.20 -1.25 -4.71 118.68 116.67 1pgj s LEU 359 Ca 0.00 2.45 -0.09 0.00 0.69 0.00 0.00 54.13 57.18 1pgj s LEU 359 Cb 0.00 -3.62 0.14 0.00 -0.43 0.00 0.00 46.19 42.28 1pgj s LEU 359 CO 0.00 -0.45 0.44 0.21 -0.29 0.00 0.00 176.35 176.25 1pgj s ASN 360 N -0.11 5.80 0.14 3.68 2.47 -1.26 -4.98 114.94 120.69 1pgj s ASN 360 Ca 0.52 -2.22 -0.29 0.00 0.42 0.00 0.00 52.86 51.29 1pgj s ASN 360 Cb -0.36 -2.02 -0.04 0.00 -1.45 0.00 0.00 41.25 37.38 1pgj s ASN 360 CO 0.43 -0.62 1.57 0.25 -3.72 0.00 0.00 177.10 175.01 1pgj h LEU 361 N 8.08 -1.49 -2.07 3.21 5.85 -1.95 -0.49 115.31 126.45 1pgj h LEU 361 Ca -0.12 0.21 0.10 0.00 0.84 0.00 0.00 57.88 58.90 1pgj h LEU 361 Cb 1.04 0.63 -0.01 0.00 0.37 0.00 0.00 40.66 42.69 1pgj h LEU 361 CO 0.82 -0.40 0.28 1.55 -0.34 0.00 0.00 178.44 180.35 1pgj h PRO 362 N -0.40 0.00 0.01 5.25 0.13 -1.93 0.51 132.00 135.57 1pgj h PRO 362 Ca 0.11 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.03 1pgj h PRO 362 Cb 0.61 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.75 1pgj h PRO 362 CO -0.53 0.00 -0.82 0.00 -0.23 0.00 0.00 178.00 176.42 1pgj h ALA 363 N 1.76 0.09 0.19 -0.56 0.00 -1.62 -2.81 119.26 116.31 1pgj h ALA 363 Ca 0.16 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1pgj h ALA 363 Cb 0.71 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1pgj h ALA 363 CO -0.00 0.51 -0.09 1.15 0.00 0.00 0.00 179.25 180.82 1pgj h THR 364 N 0.12 0.89 0.00 0.00 2.02 0.44 -2.74 112.91 113.65 1pgj h THR 364 Ca -0.10 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 1pgj h THR 364 Cb 1.51 1.14 -0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1pgj h THR 364 CO 0.16 0.09 -0.06 -0.29 0.37 0.00 0.00 175.52 175.80 1pgj h ILE 365 N -0.45 0.47 -0.26 3.11 2.10 -0.16 -1.49 117.51 120.83 1pgj h ILE 365 Ca -0.03 -0.29 -0.14 0.00 1.08 0.00 0.00 64.86 65.49 1pgj h ILE 365 Cb 0.35 1.19 -0.01 0.00 -1.09 0.00 0.00 36.82 37.26 1pgj h ILE 365 CO 0.04 0.06 -0.41 0.00 -1.08 0.00 0.00 178.15 176.76 1pgj h ALA 366 N 1.94 0.81 0.00 0.18 0.00 -1.21 -2.55 119.26 118.42 1pgj h ALA 366 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1pgj h ALA 366 Cb 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1pgj h ALA 366 CO 0.01 0.65 0.00 0.25 0.00 0.00 0.00 179.25 180.16 1pgj n THR 367 N -4.03 0.72 0.61 0.00 -2.24 -0.56 -2.11 114.28 106.67 1pgj n THR 367 Ca -0.02 0.18 0.12 0.00 -2.27 0.00 0.00 64.05 62.07 1pgj n THR 367 Cb 0.52 -0.92 0.27 0.00 -2.10 0.00 0.00 70.33 68.10 1pgj n THR 367 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1pgj n PHE 368 N -1.38 0.67 0.26 4.78 3.01 -0.96 -4.31 117.46 119.53 1pgj n PHE 368 Ca 0.06 0.19 0.18 0.00 1.01 0.00 0.00 57.45 58.89 1pgj n PHE 368 Cb 0.15 -0.74 0.86 0.00 -0.01 0.00 0.00 39.48 39.73 1pgj n PHE 368 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pgj h ARG 369 N 0.00 0.00 -3.26 -1.08 3.08 -1.53 -3.33 114.38 108.25 1pgj h ARG 369 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.07 1pgj h ARG 369 Cb 0.73 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.71 1pgj h ARG 369 CO 0.00 0.00 0.09 0.00 -1.07 0.00 0.00 179.97 178.99 1pgj s ALA 370 N -4.31 -0.84 0.00 0.04 0.00 -1.26 -4.23 121.76 111.16 1pgj s ALA 370 Ca -0.04 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1pgj s ALA 370 Cb 0.12 0.93 0.00 0.00 0.00 0.00 0.00 23.12 24.17 1pgj s ALA 370 CO 0.40 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.61 1pgj n GLY 371 N -0.42 0.74 3.93 0.00 0.00 -1.26 -4.44 105.19 103.74 1pgj n GLY 371 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 1pgj n GLY 371 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pgj h ILE 373 N -0.00 1.20 0.00 0.00 1.08 -1.90 -2.52 117.51 115.37 1pgj h ILE 373 Ca -0.45 -0.44 0.00 0.00 -0.39 0.00 0.00 64.86 63.57 1pgj h ILE 373 Cb 1.26 -0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.81 1pgj h ILE 373 CO 0.59 0.23 0.00 0.18 -0.69 0.00 0.00 178.15 178.47 1pgj n LEU 374 N -4.42 0.00 -4.75 1.44 4.77 -1.26 -4.25 117.00 108.53 1pgj n LEU 374 Ca 0.13 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.73 1pgj n LEU 374 Cb 0.07 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.20 1pgj n LEU 374 CO 0.35 0.00 0.95 0.00 -1.33 0.00 0.00 177.39 177.36 1pgj s GLN 375 N -2.00 2.99 0.00 3.23 -2.07 -0.95 -4.93 119.66 115.93 1pgj s GLN 375 Ca 0.27 2.15 0.00 0.00 -1.82 0.00 0.00 55.36 55.96 1pgj s GLN 375 Cb 0.12 -2.13 0.00 0.00 -1.09 0.00 0.00 33.01 29.92 1pgj s GLN 375 CO 0.21 -1.28 0.00 0.41 -1.32 0.00 0.00 175.29 173.31 1pgj n GLY 376 N 0.75 -0.05 0.31 2.60 0.00 -1.26 -2.84 105.19 104.70 1pgj n GLY 376 Ca 0.12 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 1pgj n GLY 376 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1pgj h TYR 377 N 0.00 -0.78 -1.51 1.61 3.20 -1.30 -2.88 116.97 115.30 1pgj h TYR 377 Ca 0.00 0.04 0.47 0.00 3.14 0.00 0.00 58.73 62.38 1pgj h TYR 377 Cb 0.00 0.37 -0.10 0.00 1.54 0.00 0.00 36.73 38.53 1pgj h TYR 377 CO 0.00 -0.37 1.03 -0.07 -1.64 0.00 0.00 178.16 177.11 1pgj h LEU 378 N -0.34 0.14 -2.14 2.82 3.38 -1.82 0.91 115.31 118.27 1pgj h LEU 378 Ca 0.11 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1pgj h LEU 378 Cb 0.51 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1pgj h LEU 378 CO -0.36 -0.11 0.00 -0.07 0.09 0.00 0.00 178.44 178.00 1pgj h LEU 379 N 0.05 0.00 0.23 1.67 -0.00 -1.87 -2.18 115.31 113.22 1pgj h LEU 379 Ca 0.83 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.70 1pgj h LEU 379 Cb 2.91 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 43.58 1pgj h LEU 379 CO -0.25 0.00 -0.11 0.50 -0.00 0.00 0.00 178.44 178.58 1pgj h LYS 380 N 0.00 -0.30 -0.94 1.13 3.64 -1.00 -1.86 116.57 117.24 1pgj h LYS 380 Ca 0.00 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 1pgj h LYS 380 Cb 0.15 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 31.97 1pgj h LYS 380 CO 0.00 -0.20 0.60 -1.35 -2.27 0.00 0.00 179.45 176.22 1pgj h PRO 381 N -0.72 1.05 -0.74 1.90 0.11 -1.70 -1.36 132.00 130.54 1pgj h PRO 381 Ca -0.03 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 66.07 1pgj h PRO 381 Cb 0.24 -0.24 -0.05 0.00 0.11 0.00 0.00 31.00 31.06 1pgj h PRO 381 CO 0.05 0.69 0.44 0.52 -0.21 0.00 0.00 178.00 179.50 1pgj h MET 382 N 1.08 0.80 -0.30 1.05 2.86 -1.50 0.15 114.93 119.07 1pgj h MET 382 Ca 0.41 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.98 1pgj h MET 382 Cb 0.18 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1pgj h MET 382 CO -0.18 0.53 0.10 1.15 1.06 0.00 0.00 176.91 179.57 1pgj h THR 383 N 0.82 1.20 -0.11 2.22 2.02 -0.40 -2.74 112.91 115.92 1pgj h THR 383 Ca 0.32 -0.62 0.04 0.00 0.77 0.00 0.00 66.41 66.92 1pgj h THR 383 Cb 0.15 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 1pgj h THR 383 CO -0.16 0.21 -0.14 -0.33 0.37 0.00 0.00 175.52 175.46 1pgj h GLU 384 N 0.32 -0.18 -1.01 6.66 5.08 -0.58 -1.71 114.58 123.17 1pgj h GLU 384 Ca 0.10 0.01 0.28 0.00 -1.00 0.00 0.00 59.36 58.75 1pgj h GLU 384 Cb 0.23 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 29.39 1pgj h GLU 384 CO -0.00 -0.12 0.59 0.00 -1.00 0.00 0.00 179.01 178.48 1pgj h ALA 385 N 0.86 1.89 0.00 3.43 0.00 -0.52 0.35 119.26 125.27 1pgj h ALA 385 Ca 0.08 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1pgj h ALA 385 Cb 0.31 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1pgj h ALA 385 CO -0.22 -0.41 -0.50 0.74 0.00 0.00 0.00 179.25 178.86 1pgj h PHE 386 N 0.47 0.00 0.14 0.00 0.04 -1.07 -2.56 116.94 113.96 1pgj h PHE 386 Ca 0.68 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 61.16 1pgj h PHE 386 Cb 1.42 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.59 1pgj h PHE 386 CO -0.01 0.00 -1.26 0.93 -0.60 0.00 0.00 178.31 177.38 1pgj h GLU 387 N 0.00 0.48 0.51 1.51 5.08 0.37 -3.08 114.58 119.46 1pgj h GLU 387 Ca 0.00 -0.70 -0.03 0.00 -1.00 0.00 0.00 59.36 57.63 1pgj h GLU 387 Cb 0.99 0.24 0.01 0.00 0.50 0.00 0.00 28.75 30.48 1pgj h GLU 387 CO 0.00 1.31 -0.25 0.87 -1.00 0.00 0.00 179.01 179.95 1pgj h LYS 388 N 0.19 -0.66 -2.72 2.33 6.56 -0.61 -3.40 116.57 118.26 1pgj h LYS 388 Ca -0.17 0.05 -0.59 0.00 -1.06 0.00 0.00 60.65 58.87 1pgj h LYS 388 Cb 1.94 0.15 -0.39 0.00 -0.57 0.00 0.00 32.23 33.36 1pgj h LYS 388 CO 0.23 -0.38 -0.81 1.21 -2.06 0.00 0.00 179.45 177.64 1pgj s ASN 389 N -4.69 3.16 0.55 0.86 3.84 -0.96 -5.01 114.94 112.68 1pgj s ASN 389 Ca -0.16 -2.39 0.32 0.00 0.21 0.00 0.00 52.86 50.84 1pgj s ASN 389 Cb 0.03 -0.63 1.48 0.00 -0.55 0.00 0.00 41.25 41.58 1pgj s ASN 389 CO 0.57 -0.29 1.86 -0.65 -2.79 0.00 0.00 177.10 175.80 1pgj h PRO 390 N 6.84 0.00 -1.40 0.43 0.11 -1.76 -2.51 132.00 133.70 1pgj h PRO 390 Ca 0.05 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.53 1pgj h PRO 390 Cb 0.95 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.68 1pgj h PRO 390 CO 0.35 0.00 -0.20 0.09 -0.21 0.00 0.00 178.00 178.03 1pgj n ASN 391 N -4.15 5.67 -4.74 -2.05 3.02 -1.26 -5.01 115.26 106.74 1pgj n ASN 391 Ca 0.18 -3.76 -0.41 0.00 -0.03 0.00 0.00 54.58 50.57 1pgj n ASN 391 Cb 0.98 -0.62 -0.04 0.00 -0.61 0.00 0.00 39.78 39.49 1pgj n ASN 391 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1pgj s ILE 392 N -5.17 3.87 0.22 2.41 2.07 -0.95 -4.96 121.20 118.69 1pgj s ILE 392 Ca 0.51 1.68 -0.08 0.00 -1.41 0.00 0.00 60.65 61.35 1pgj s ILE 392 Cb 0.42 -4.07 0.16 0.00 0.13 0.00 0.00 42.46 39.10 1pgj s ILE 392 CO -0.17 0.32 1.75 0.77 -1.91 0.00 0.00 174.94 175.69 1pgj h SER 393 N 4.82 0.28 -4.09 4.50 4.64 -1.95 -3.43 113.55 118.32 1pgj h SER 393 Ca -0.45 0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 60.89 1pgj h SER 393 Cb 1.21 0.05 -0.22 0.00 -0.31 0.00 0.00 62.40 63.13 1pgj h SER 393 CO 0.71 0.16 0.02 0.21 -0.87 0.00 0.00 176.83 177.06 1pgj s ASN 394 N -5.41 -0.63 0.56 4.97 3.84 -1.26 -5.03 114.94 111.98 1pgj s ASN 394 Ca -0.13 1.17 0.26 0.00 0.21 0.00 0.00 52.86 54.37 1pgj s ASN 394 Cb 0.18 1.17 1.55 0.00 -0.55 0.00 0.00 41.25 43.60 1pgj s ASN 394 CO 0.75 -0.26 2.10 0.25 -2.79 0.00 0.00 177.10 177.16 1pgj h LEU 395 N 4.92 0.00 -2.03 3.21 5.85 -1.89 -2.56 115.31 122.81 1pgj h LEU 395 Ca -0.28 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.53 1pgj h LEU 395 Cb 1.16 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1pgj h LEU 395 CO 0.15 0.00 0.23 0.24 -0.34 0.00 0.00 178.44 178.72 1pgj h MET 396 N 0.00 0.00 -0.45 1.25 2.86 -1.95 -0.72 114.93 115.92 1pgj h MET 396 Ca 0.09 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.65 1pgj h MET 396 Cb 0.45 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 1pgj h MET 396 CO -0.00 0.00 -0.06 0.00 1.06 0.00 0.00 176.91 177.91 1pgj h ALA 398 N 1.22 1.00 -0.32 0.00 0.00 -1.31 -0.16 119.26 119.69 1pgj h ALA 398 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 1pgj h ALA 398 Cb 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 1pgj h ALA 398 CO 0.03 0.00 -0.07 1.19 0.00 0.00 0.00 179.25 180.40 1pgj n PHE 399 N -2.85 1.00 -0.19 0.00 3.72 -0.26 -4.77 117.46 114.11 1pgj n PHE 399 Ca -0.02 -1.45 -0.00 0.00 -0.05 0.00 0.00 57.45 55.93 1pgj n PHE 399 Cb 0.06 -0.44 0.09 0.00 -0.94 0.00 0.00 39.48 38.25 1pgj n PHE 399 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1pgj h GLN 400 N 1.10 0.12 0.00 -1.08 4.15 -0.82 -2.15 115.11 116.44 1pgj h GLN 400 Ca 0.17 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.58 1pgj h GLN 400 Cb 1.59 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.25 1pgj h GLN 400 CO 0.34 0.08 0.00 2.41 -1.93 0.00 0.00 178.83 179.73 1pgj n THR 401 N -5.26 0.00 -0.38 2.39 -1.04 -1.26 -0.84 114.28 107.89 1pgj n THR 401 Ca 0.08 1.35 0.30 0.00 -2.04 0.00 0.00 64.05 63.74 1pgj n THR 401 Cb 0.33 -2.18 0.58 0.00 -1.82 0.00 0.00 70.33 67.23 1pgj n THR 401 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1pgj h GLU 402 N 0.00 0.22 0.07 -2.82 3.07 -1.92 0.11 114.58 113.31 1pgj h GLU 402 Ca 0.00 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1pgj h GLU 402 Cb 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1pgj h GLU 402 CO 0.00 0.14 -0.03 0.82 -1.40 0.00 0.00 179.01 178.54 1pgj h ILE 403 N 0.22 1.14 -0.97 3.13 2.04 -1.20 -2.32 117.51 119.54 1pgj h ILE 403 Ca 0.73 -0.74 0.16 0.00 1.00 0.00 0.00 64.86 66.02 1pgj h ILE 403 Cb 2.07 1.62 -0.09 0.00 -0.74 0.00 0.00 36.82 39.68 1pgj h ILE 403 CO -0.41 0.18 0.61 -0.09 0.00 0.00 0.00 178.15 178.44 1pgj h ARG 404 N -0.43 0.75 -0.04 2.37 2.43 0.12 -0.52 114.38 119.07 1pgj h ARG 404 Ca -0.01 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.00 1pgj h ARG 404 Cb 0.37 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1pgj h ARG 404 CO 0.02 0.50 -0.44 0.00 -1.51 0.00 0.00 179.97 178.53 1pgj h ALA 405 N 1.60 0.10 -0.01 2.80 0.00 -1.37 -3.36 119.26 119.03 1pgj h ALA 405 Ca 0.52 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1pgj h ALA 405 Cb 0.79 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1pgj h ALA 405 CO -0.29 0.26 -0.53 0.41 0.00 0.00 0.00 179.25 179.09 1pgj n GLY 406 N 0.90 -0.73 0.23 0.00 0.00 -0.88 -4.60 105.19 100.11 1pgj n GLY 406 Ca -0.09 -0.48 0.01 0.00 0.00 0.00 0.00 46.02 45.45 1pgj n GLY 406 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pgj h LEU 407 N 0.87 0.05 -0.74 0.99 5.85 -1.24 0.10 115.31 121.19 1pgj h LEU 407 Ca 0.00 0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 1pgj h LEU 407 Cb 0.56 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1pgj h LEU 407 CO 0.00 0.03 -0.29 -0.61 -0.34 0.00 0.00 178.44 177.23 1pgj h GLN 408 N 0.29 0.64 -0.63 1.25 5.75 -1.84 -0.61 115.11 119.96 1pgj h GLN 408 Ca 0.32 -0.27 -0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1pgj h GLN 408 Cb 0.47 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.97 1pgj h GLN 408 CO -0.39 0.85 0.37 -0.91 -2.65 0.00 0.00 178.83 176.11 1pgj h ASN 409 N 0.55 0.76 -0.12 -0.69 2.35 -1.52 0.23 115.58 117.13 1pgj h ASN 409 Ca 0.07 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1pgj h ASN 409 Cb 0.77 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 1pgj h ASN 409 CO 0.06 0.60 0.08 0.22 -1.65 0.00 0.00 177.43 176.75 1pgj h TYR 410 N 0.85 0.16 -0.06 1.19 3.20 -0.48 -1.06 116.97 120.76 1pgj h TYR 410 Ca 0.22 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.10 1pgj h TYR 410 Cb -0.01 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 1pgj h TYR 410 CO -0.02 0.11 0.01 0.00 -1.64 0.00 0.00 178.16 176.63 1pgj h ARG 411 N 0.16 0.04 -0.74 1.82 3.08 -0.42 -2.10 114.38 116.21 1pgj h ARG 411 Ca 0.05 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1pgj h ARG 411 Cb -0.01 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 1pgj h ARG 411 CO -0.01 0.03 0.39 -0.44 -1.07 0.00 0.00 179.97 178.87 1pgj h ASP 412 N 0.04 0.93 0.26 7.04 3.32 -0.41 0.13 116.42 127.73 1pgj h ASP 412 Ca 0.02 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1pgj h ASP 412 Cb 0.02 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.33 1pgj h ASP 412 CO -0.03 0.76 -0.12 -0.03 -1.72 0.00 0.00 179.24 178.10 1pgj h MET 413 N 1.04 -0.33 -0.79 3.56 4.05 -1.03 0.15 114.93 121.58 1pgj h MET 413 Ca 0.26 0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.73 1pgj h MET 413 Cb 0.05 0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 30.88 1pgj h MET 413 CO -0.04 -0.07 0.52 0.28 0.23 0.00 0.00 176.91 177.83 1pgj h VAL 414 N -0.56 1.14 -0.24 -5.77 2.07 -1.12 0.99 116.25 112.76 1pgj h VAL 414 Ca -0.04 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1pgj h VAL 414 Cb 0.41 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1pgj h VAL 414 CO 0.06 0.18 0.13 0.00 0.02 0.00 0.00 177.57 177.96 1pgj h ALA 415 N 1.53 0.30 -0.15 1.67 0.00 -0.45 -1.03 119.26 121.14 1pgj h ALA 415 Ca 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1pgj h ALA 415 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1pgj h ALA 415 CO -0.09 -0.17 0.09 1.25 0.00 0.00 0.00 179.25 180.33 1pgj h LEU 416 N 0.28 0.14 -1.21 0.00 5.85 0.68 -1.74 115.31 119.30 1pgj h LEU 416 Ca 0.08 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1pgj h LEU 416 Cb 0.06 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1pgj h LEU 416 CO -0.01 0.11 -0.09 0.40 -0.34 0.00 0.00 178.44 178.51 1pgj h ILE 417 N 0.18 1.21 -0.12 4.05 2.04 -0.76 -1.80 117.51 122.30 1pgj h ILE 417 Ca 0.06 -0.89 -0.05 0.00 1.00 0.00 0.00 64.86 64.98 1pgj h ILE 417 Cb -0.01 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1pgj h ILE 417 CO -0.02 0.29 -0.12 0.74 0.00 0.00 0.00 178.15 179.04 1pgj h THR 418 N 0.42 1.35 -0.28 -0.27 2.02 -0.90 -2.28 112.91 112.98 1pgj h THR 418 Ca 0.08 -1.28 -0.07 0.00 0.77 0.00 0.00 66.41 65.92 1pgj h THR 418 Cb 0.41 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 1pgj h THR 418 CO 0.02 0.37 -0.11 -1.28 0.37 0.00 0.00 175.52 174.89 1pgj h SER 419 N -0.09 0.58 0.00 4.18 0.87 -1.23 -3.39 113.55 114.47 1pgj h SER 419 Ca 0.02 -0.40 -0.20 0.00 -1.23 0.00 0.00 61.79 59.98 1pgj h SER 419 Cb 0.64 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.41 1pgj h SER 419 CO 0.03 0.84 -1.95 0.29 -0.53 0.00 0.00 176.83 175.51 1pgj n LYS 420 N -4.46 1.27 -3.64 2.24 4.01 -0.68 -4.63 118.16 112.27 1pgj n LYS 420 Ca -0.03 -0.04 -0.33 0.00 -0.51 0.00 0.00 58.31 57.39 1pgj n LYS 420 Cb 0.35 -1.38 -0.05 0.00 -0.51 0.00 0.00 35.03 33.43 1pgj n LYS 420 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1pgj s LEU 421 N -4.84 4.29 -0.56 -0.35 1.43 -0.86 -1.22 118.68 116.58 1pgj s LEU 421 Ca -0.07 0.66 -0.03 0.00 -1.03 0.00 0.00 54.13 53.66 1pgj s LEU 421 Cb 0.06 -3.20 0.17 0.00 0.03 0.00 0.00 46.19 43.24 1pgj s LEU 421 CO 0.63 0.09 2.49 1.21 0.23 0.00 0.00 176.35 181.00 1pgj n GLU 422 N 0.36 2.46 -4.07 1.70 2.13 -1.26 -4.78 120.64 117.19 1pgj n GLU 422 Ca -0.04 -2.65 -0.13 0.00 0.66 0.00 0.00 57.16 55.00 1pgj n GLU 422 Cb 0.52 -2.15 -0.11 0.00 0.27 0.00 0.00 31.44 29.97 1pgj n GLU 422 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1pgj s VAL 423 N -3.12 0.55 -0.05 6.31 -7.23 -1.26 -5.10 120.40 110.50 1pgj s VAL 423 Ca 0.55 -1.07 -0.17 0.00 -1.81 0.00 0.00 61.98 59.48 1pgj s VAL 423 Cb 0.39 -0.61 -0.05 0.00 0.56 0.00 0.00 36.38 36.67 1pgj s VAL 423 CO -0.25 -0.37 0.46 -0.44 -0.31 0.00 0.00 175.10 174.18 1pgj s SER 424 N -1.57 6.77 -0.51 4.85 0.01 -1.26 -4.93 113.70 117.07 1pgj s SER 424 Ca -0.10 0.92 0.08 0.00 1.31 0.00 0.00 55.95 58.16 1pgj s SER 424 Cb -0.10 -2.28 0.30 0.00 0.21 0.00 0.00 66.02 64.15 1pgj s SER 424 CO 0.00 0.16 0.76 2.30 0.41 0.00 0.00 173.24 176.88 1pgj n ILE 425 N 2.70 1.38 -0.02 1.44 -5.35 -1.26 -4.98 119.36 113.27 1pgj n ILE 425 Ca -0.10 -4.95 -0.15 0.00 -0.27 0.00 0.00 62.75 57.28 1pgj n ILE 425 Cb 0.52 -1.41 -0.10 0.00 -1.74 0.00 0.00 39.64 36.90 1pgj n ILE 425 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 1pgj h PRO 426 N 3.49 -0.55 0.03 6.28 0.11 -1.95 -1.63 132.00 137.78 1pgj h PRO 426 Ca 0.13 0.04 -0.23 0.00 0.11 0.00 0.00 66.00 66.05 1pgj h PRO 426 Cb 0.73 0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1pgj h PRO 426 CO 0.68 -0.36 -0.99 0.28 -0.21 0.00 0.00 178.00 177.39 1pgj h VAL 427 N -0.57 1.47 -0.11 3.15 2.07 -1.93 -1.12 116.25 119.21 1pgj h VAL 427 Ca 0.04 -2.68 -0.02 0.00 0.82 0.00 0.00 66.70 64.85 1pgj h VAL 427 Cb 0.67 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 1pgj h VAL 427 CO -0.45 0.79 -0.04 -0.07 0.02 0.00 0.00 177.57 177.81 1pgj h LEU 428 N 0.15 0.14 0.13 2.57 3.38 -1.92 -1.81 115.31 117.96 1pgj h LEU 428 Ca -0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1pgj h LEU 428 Cb 1.65 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.37 1pgj h LEU 428 CO 0.16 0.21 -0.06 -1.28 0.09 0.00 0.00 178.44 177.56 1pgj h SER 429 N 0.15 -0.15 -0.99 -0.43 0.87 -1.15 -3.17 113.55 108.68 1pgj h SER 429 Ca 0.04 -0.39 0.06 0.00 -1.23 0.00 0.00 61.79 60.27 1pgj h SER 429 Cb 0.18 0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 62.12 1pgj h SER 429 CO 0.01 0.43 0.64 0.00 -0.53 0.00 0.00 176.83 177.38 1pgj h ALA 430 N -0.27 1.37 -0.36 6.23 0.00 -1.09 -2.21 119.26 122.92 1pgj h ALA 430 Ca -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1pgj h ALA 430 Cb 0.54 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1pgj h ALA 430 CO 0.03 0.44 0.14 0.77 0.00 0.00 0.00 179.25 180.63 1pgj h SER 431 N 1.17 0.45 0.04 0.00 0.02 -1.43 -0.74 113.55 113.07 1pgj h SER 431 Ca 0.43 -0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 61.20 1pgj h SER 431 Cb 0.15 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1pgj h SER 431 CO -0.17 0.42 -0.43 0.25 -1.14 0.00 0.00 176.83 175.76 1pgj h LEU 432 N 0.50 0.51 -0.81 5.07 5.85 -1.38 -2.09 115.31 122.97 1pgj h LEU 432 Ca 0.12 -0.23 -0.12 0.00 0.84 0.00 0.00 57.88 58.49 1pgj h LEU 432 Cb 0.11 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1pgj h LEU 432 CO -0.01 0.88 -0.51 0.78 -0.34 0.00 0.00 178.44 179.24 1pgj h ASN 433 N 0.39 0.25 -0.22 1.25 2.35 -1.06 -2.20 115.58 116.34 1pgj h ASN 433 Ca 0.03 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1pgj h ASN 433 Cb 0.92 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.21 1pgj h ASN 433 CO 0.08 0.71 0.12 0.22 -1.65 0.00 0.00 177.43 176.91 1pgj h TYR 434 N 0.18 0.31 0.13 1.19 3.20 -0.68 0.13 116.97 121.42 1pgj h TYR 434 Ca 0.01 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1pgj h TYR 434 Cb 0.96 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.13 1pgj h TYR 434 CO 0.02 0.28 -0.06 0.28 -1.64 0.00 0.00 178.16 177.03 1pgj h VAL 435 N 0.24 0.94 -0.63 1.81 2.07 -1.19 -0.99 116.25 118.50 1pgj h VAL 435 Ca 0.08 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1pgj h VAL 435 Cb 0.08 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1pgj h VAL 435 CO -0.01 0.06 0.22 0.71 0.02 0.00 0.00 177.57 178.57 1pgj h THR 436 N -0.29 1.24 -0.32 2.57 1.35 -1.31 -3.06 112.91 113.09 1pgj h THR 436 Ca -0.02 -0.79 -0.06 0.00 -0.55 0.00 0.00 66.41 65.00 1pgj h THR 436 Cb 0.23 0.58 -0.01 0.00 -1.73 0.00 0.00 68.15 67.22 1pgj h THR 436 CO 0.03 0.30 -0.02 0.00 -0.25 0.00 0.00 175.52 175.58 1pgj h ALA 437 N 1.08 0.43 0.00 6.62 0.00 -0.68 -3.12 119.26 123.59 1pgj h ALA 437 Ca 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pgj h ALA 437 Cb 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1pgj h ALA 437 CO -0.01 0.21 0.00 0.52 0.00 0.00 0.00 179.25 179.97 1pgj h MET 438 N 0.37 0.00 -0.14 0.00 2.07 -1.14 -2.62 114.93 113.47 1pgj h MET 438 Ca 0.09 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.72 1pgj h MET 438 Cb 0.49 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.22 1pgj h MET 438 CO 0.02 0.00 0.00 1.19 1.07 0.00 0.00 176.91 179.19 1pgj n PHE 439 N -2.78 0.16 -3.40 -0.22 3.72 -1.16 -4.91 117.46 108.87 1pgj n PHE 439 Ca 0.00 -0.09 -0.40 0.00 -0.05 0.00 0.00 57.45 56.92 1pgj n PHE 439 Cb 0.21 -0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.66 1pgj n PHE 439 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1pgj s THR 440 N -1.71 5.17 0.12 4.37 2.01 -0.99 -4.97 115.64 119.64 1pgj s THR 440 Ca 0.30 0.39 -0.16 0.00 0.31 0.00 0.00 61.69 62.53 1pgj s THR 440 Cb 0.20 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 1pgj s THR 440 CO 0.29 0.08 1.59 -0.65 -0.69 0.00 0.00 174.62 175.23 1pgj h PRO 441 N 8.28 0.61 -4.97 4.92 0.11 -1.91 -3.41 132.00 135.64 1pgj h PRO 441 Ca -0.31 -0.17 -0.67 0.00 0.11 0.00 0.00 66.00 64.96 1pgj h PRO 441 Cb 1.16 -0.07 -0.36 0.00 0.11 0.00 0.00 31.00 31.84 1pgj h PRO 441 CO 0.66 0.69 -0.83 0.99 -0.21 0.00 0.00 178.00 179.30 1pgj s THR 442 N -5.15 2.16 -0.37 -1.15 2.01 -1.26 -5.07 115.64 106.81 1pgj s THR 442 Ca -0.13 -1.24 -0.14 0.00 0.31 0.00 0.00 61.69 60.49 1pgj s THR 442 Cb 0.09 -2.08 0.00 0.00 0.01 0.00 0.00 72.50 70.53 1pgj s THR 442 CO 0.77 0.28 0.27 -0.76 -0.69 0.00 0.00 174.62 174.49 1pgj s LEU 443 N 1.21 4.81 0.35 4.42 1.43 -1.26 -4.95 118.68 124.69 1pgj s LEU 443 Ca -0.01 -0.65 0.08 0.00 -1.03 0.00 0.00 54.13 52.51 1pgj s LEU 443 Cb -0.16 -2.15 0.65 0.00 0.03 0.00 0.00 46.19 44.56 1pgj s LEU 443 CO -0.09 -0.34 1.84 0.11 0.23 0.00 0.00 176.35 178.10 1pgj h LYS 444 N 8.56 0.28 0.00 1.70 1.79 -2.00 -2.63 116.57 124.27 1pgj h LYS 444 Ca -0.29 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.09 1pgj h LYS 444 Cb 1.14 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.76 1pgj h LYS 444 CO 0.68 0.48 -0.03 0.10 -1.08 0.00 0.00 179.45 179.60 1pgj h TYR 445 N 0.26 0.00 0.00 -1.35 -0.00 -2.01 0.69 116.97 114.56 1pgj h TYR 445 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.70 1pgj h TYR 445 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.23 1pgj h TYR 445 CO 0.01 0.03 -0.37 0.78 -0.00 0.00 0.00 178.16 178.61 1pgj h GLY 446 N 0.28 0.00 0.62 0.10 0.00 -1.89 -1.81 103.07 100.37 1pgj h GLY 446 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1pgj h GLY 446 CO 0.00 0.00 -0.21 1.46 0.00 0.00 0.00 176.54 177.80 1pgj h GLN 447 N 0.00 0.26 0.42 4.80 4.20 -0.95 -2.25 115.11 121.58 1pgj h GLN 447 Ca -0.00 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.50 1pgj h GLN 447 Cb 0.79 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.60 1pgj h GLN 447 CO 0.05 0.81 -0.20 1.25 -0.67 0.00 0.00 178.83 180.07 1pgj h LEU 448 N -0.25 -0.47 -0.95 1.46 5.85 -1.40 -2.22 115.31 117.33 1pgj h LEU 448 Ca -0.01 -0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.74 1pgj h LEU 448 Cb 0.83 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.90 1pgj h LEU 448 CO 0.04 -0.20 0.59 0.58 -0.34 0.00 0.00 178.44 179.11 1pgj h VAL 449 N -0.74 0.96 -0.08 1.05 2.07 -1.44 0.15 116.25 118.21 1pgj h VAL 449 Ca -0.06 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.15 1pgj h VAL 449 Cb 0.52 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 1pgj h VAL 449 CO 0.09 0.18 -0.07 0.28 0.02 0.00 0.00 177.57 178.07 1pgj h SER 450 N 0.98 -0.22 -0.40 0.57 0.02 -1.29 -1.79 113.55 111.43 1pgj h SER 450 Ca 0.45 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 61.39 1pgj h SER 450 Cb 0.37 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1pgj h SER 450 CO -0.24 -0.10 0.03 -0.07 -1.14 0.00 0.00 176.83 175.31 1pgj h LEU 451 N -0.09 0.66 -0.76 5.07 3.38 -0.72 -3.09 115.31 119.76 1pgj h LEU 451 Ca 0.06 -0.29 0.18 0.00 0.09 0.00 0.00 57.88 57.91 1pgj h LEU 451 Cb 0.17 -0.18 -0.12 0.00 0.09 0.00 0.00 40.66 40.62 1pgj h LEU 451 CO -0.14 0.79 0.14 1.56 0.09 0.00 0.00 178.44 180.88 1pgj h GLN 452 N 0.52 0.20 0.00 1.13 4.20 -0.35 0.55 115.11 121.36 1pgj h GLN 452 Ca 0.12 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1pgj h GLN 452 Cb 0.43 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 1pgj h GLN 452 CO 0.02 0.13 -0.04 0.00 -0.67 0.00 0.00 178.83 178.27 1pgj h ARG 453 N 0.21 0.00 -0.07 1.46 3.08 -1.25 -2.25 114.38 115.55 1pgj h ARG 453 Ca 0.44 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.44 1pgj h ARG 453 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1pgj h ARG 453 CO -0.58 0.04 -0.13 0.22 -1.07 0.00 0.00 179.97 178.45 1pgj h ASP 454 N 0.00 0.24 -0.70 7.04 3.58 0.10 -2.19 116.42 124.48 1pgj h ASP 454 Ca -0.00 -0.55 0.08 0.00 0.42 0.00 0.00 57.03 56.98 1pgj h ASP 454 Cb 0.08 -0.07 -0.11 0.00 1.72 0.00 0.00 39.33 40.96 1pgj h ASP 454 CO 0.01 0.75 -0.54 0.58 -2.88 0.00 0.00 179.24 177.15 1pgj h VAL 455 N -0.26 0.02 0.07 2.25 2.07 -0.78 0.18 116.25 119.79 1pgj h VAL 455 Ca 0.00 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.18 1pgj h VAL 455 Cb 0.70 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1pgj h VAL 455 CO 0.03 0.00 -1.99 2.22 0.02 0.00 0.00 177.57 177.85 1pgj n PHE 456 N -5.34 0.97 1.01 1.57 1.16 -1.21 -4.42 117.46 111.19 1pgj n PHE 456 Ca 0.00 0.25 0.11 0.00 -1.87 0.00 0.00 57.45 55.95 1pgj n PHE 456 Cb 0.32 -1.14 0.03 0.00 -1.61 0.00 0.00 39.48 37.07 1pgj n PHE 456 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1pgj n GLY 457 N 1.87 0.23 3.21 4.97 0.00 -0.83 -4.97 105.19 109.66 1pgj n GLY 457 Ca -0.29 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 44.86 1pgj n GLY 457 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pgj n ARG 458 N 0.26 -3.66 0.10 1.61 5.12 0.64 -4.85 116.66 115.87 1pgj n ARG 458 Ca 0.10 0.59 0.12 0.00 -1.93 0.00 0.00 57.85 56.73 1pgj n ARG 458 Cb 0.49 -5.32 0.45 0.00 -1.16 0.00 0.00 32.46 26.92 1pgj n ARG 458 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1pgj n HIS 459 N -4.03 0.74 -0.12 -1.55 8.25 -1.24 -4.98 115.22 112.29 1pgj n HIS 459 Ca -0.05 0.25 0.02 0.00 -0.26 0.00 0.00 57.72 57.67 1pgj n HIS 459 Cb 0.57 -0.90 -0.00 0.00 1.12 0.00 0.00 29.99 30.77 1pgj n HIS 459 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pgj n GLY 460 N 0.76 -1.33 3.42 -1.41 0.00 -1.26 -4.99 105.19 100.39 1pgj n GLY 460 Ca 0.04 -1.51 -0.14 0.00 0.00 0.00 0.00 46.02 44.41 1pgj n GLY 460 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pgj s TYR 461 N -1.11 -0.50 0.21 1.61 1.13 0.15 -4.58 117.35 114.26 1pgj s TYR 461 Ca 0.00 0.55 -0.19 0.00 -1.41 0.00 0.00 57.07 56.02 1pgj s TYR 461 Cb 0.00 0.42 -0.08 0.00 -1.10 0.00 0.00 41.96 41.20 1pgj s TYR 461 CO 0.00 -0.70 0.70 -1.21 -2.51 0.00 0.00 175.55 171.83 1pgj s GLU 462 N -2.61 4.21 0.11 -3.49 2.02 -1.26 -0.66 118.70 117.01 1pgj s GLU 462 Ca -0.04 0.81 0.02 0.00 0.02 0.00 0.00 54.97 55.77 1pgj s GLU 462 Cb -0.01 -2.88 -0.04 0.00 0.10 0.00 0.00 34.13 31.30 1pgj s GLU 462 CO -0.03 0.41 0.23 1.03 0.02 0.00 0.00 175.26 176.92 1pgj s ARG 463 N -1.98 3.37 0.19 1.61 1.81 -1.25 -4.95 118.95 117.75 1pgj s ARG 463 Ca 0.42 -0.56 0.24 0.00 -1.72 0.00 0.00 55.73 54.12 1pgj s ARG 463 Cb -0.16 -2.96 0.33 0.00 -0.45 0.00 0.00 34.95 31.71 1pgj s ARG 463 CO 0.21 0.56 1.36 -0.39 -0.68 0.00 0.00 175.30 176.36 1pgj h VAL 464 N 1.90 0.00 0.00 3.52 -1.51 -1.97 -3.40 116.25 114.79 1pgj h VAL 464 Ca -0.47 -0.67 -0.26 0.00 -1.23 0.00 0.00 66.70 64.07 1pgj h VAL 464 Cb 1.18 1.35 -0.05 0.00 -2.13 0.00 0.00 31.29 31.64 1pgj h VAL 464 CO 0.71 0.00 -2.00 -0.90 -1.23 0.00 0.00 177.57 174.16 1pgj n ASP 465 N -2.39 2.12 -3.81 4.19 5.75 -1.26 -4.99 116.55 116.16 1pgj n ASP 465 Ca 0.03 -0.05 -0.16 0.00 -0.01 0.00 0.00 54.79 54.60 1pgj n ASP 465 Cb 0.47 0.23 0.08 0.00 -1.03 0.00 0.00 41.12 40.87 1pgj n ASP 465 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1pgj n LYS 466 N -2.80 0.19 -4.32 0.11 5.02 -1.26 -5.12 118.16 109.99 1pgj n LYS 466 Ca -0.28 -1.93 -0.18 0.00 -2.02 0.00 0.00 58.31 53.90 1pgj n LYS 466 Cb 0.89 -0.43 -0.14 0.00 -0.02 0.00 0.00 35.03 35.33 1pgj n LYS 466 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1pgj s ASP 467 N -3.80 1.00 0.00 4.39 1.47 -1.26 -4.60 116.67 113.87 1pgj s ASP 467 Ca 0.46 -0.18 0.00 0.00 1.18 0.00 0.00 52.55 54.01 1pgj s ASP 467 Cb -0.03 -0.10 0.00 0.00 -0.34 0.00 0.00 42.92 42.45 1pgj s ASP 467 CO 0.30 0.08 0.00 0.61 0.68 0.00 0.00 175.17 176.85 1pgj n GLY 468 N 2.77 -1.03 3.41 2.12 0.00 -1.26 -5.00 105.19 106.19 1pgj n GLY 468 Ca -0.14 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.48 1pgj n GLY 468 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pgj s ARG 469 N 0.00 1.88 0.16 1.61 0.52 -1.26 -3.97 118.95 117.89 1pgj s ARG 469 Ca 0.00 -1.08 0.07 0.00 -0.52 0.00 0.00 55.73 54.20 1pgj s ARG 469 Cb 0.00 -2.07 -0.04 0.00 0.52 0.00 0.00 34.95 33.35 1pgj s ARG 469 CO 0.00 0.52 -0.16 -2.00 0.02 0.00 0.00 175.30 173.68 1pgj s GLU 470 N -1.47 1.21 -0.04 3.54 2.12 0.16 -4.89 118.70 119.33 1pgj s GLU 470 Ca 0.14 -1.41 0.00 0.00 0.36 0.00 0.00 54.97 54.06 1pgj s GLU 470 Cb -0.10 -1.12 0.03 0.00 0.26 0.00 0.00 34.13 33.19 1pgj s GLU 470 CO 0.04 0.21 -0.01 0.45 -0.54 0.00 0.00 175.26 175.41 1pgj s SER 471 N -2.80 0.73 0.83 -1.70 0.15 -1.26 -0.68 113.70 108.97 1pgj s SER 471 Ca 0.16 -0.06 -0.11 0.00 0.70 0.00 0.00 55.95 56.63 1pgj s SER 471 Cb -0.04 -0.32 0.11 0.00 -1.71 0.00 0.00 66.02 64.07 1pgj s SER 471 CO 0.05 -0.10 1.18 0.12 1.20 0.00 0.00 173.24 175.69 1pgj s PHE 472 N 1.10 2.47 -0.18 3.44 5.36 -1.26 -5.08 117.98 123.84 1pgj s PHE 472 Ca -0.09 0.50 -0.03 0.00 -0.96 0.00 0.00 56.93 56.35 1pgj s PHE 472 Cb -0.14 -3.59 -0.02 0.00 -0.34 0.00 0.00 43.02 38.94 1pgj s PHE 472 CO -0.01 -1.95 -0.06 -0.65 -1.46 0.00 0.00 175.22 171.09 1pgj s GLN 473 N -5.57 3.50 0.18 10.12 -1.52 -1.26 -5.02 119.66 120.09 1pgj s GLN 473 Ca 0.65 -0.59 0.10 0.00 -1.95 0.00 0.00 55.36 53.57 1pgj s GLN 473 Cb -0.09 -2.90 -0.04 0.00 -0.22 0.00 0.00 33.01 29.76 1pgj s GLN 473 CO 0.49 0.06 -0.15 -1.58 -0.25 0.00 0.00 175.29 173.86 1pgj s TRP 474 N 0.80 2.51 0.69 0.91 0.52 -1.26 -5.12 118.94 117.99 1pgj s TRP 474 Ca -0.02 -0.27 -0.15 0.00 0.02 0.00 0.00 56.10 55.68 1pgj s TRP 474 Cb -0.15 -1.24 0.02 0.00 -1.15 0.00 0.00 33.47 30.95 1pgj s TRP 474 CO 0.02 0.50 1.14 -2.14 0.02 0.00 0.00 176.95 176.48 1pgj s PRO 475 N -2.70 2.54 0.52 4.98 0.02 -1.26 -4.97 135.00 134.13 1pgj s PRO 475 Ca 0.23 1.51 -0.21 0.00 0.02 0.00 0.00 61.00 62.55 1pgj s PRO 475 Cb -0.09 -1.91 -0.06 0.00 0.02 0.00 0.00 34.50 32.47 1pgj s PRO 475 CO 0.13 -1.47 1.16 -1.21 -0.33 0.00 0.00 177.00 175.27 1pgj s GLU 476 N -4.05 3.45 -0.00 5.54 2.02 -1.26 -4.94 118.70 119.46 1pgj s GLU 476 Ca 0.69 1.71 0.02 0.00 0.02 0.00 0.00 54.97 57.41 1pgj s GLU 476 Cb -0.23 -2.15 -0.02 0.00 0.10 0.00 0.00 34.13 31.83 1pgj s GLU 476 CO 0.43 -0.79 0.06 1.28 0.02 0.00 0.00 175.26 176.26 1pgj n LEU 477 N -1.03 0.05 -0.08 1.80 4.77 -1.26 -5.30 117.00 115.94 1pgj n LEU 477 Ca 0.10 -0.31 0.01 0.00 -0.03 0.00 0.00 56.01 55.79 1pgj n LEU 477 Cb 0.50 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.59 1pgj n LEU 477 CO 0.45 0.01 0.28 0.00 -1.33 0.00 0.00 177.39 176.80