#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pnx n ASN 3 N 0.00 1.67 -1.81 1.61 6.94 -1.26 -5.12 115.26 117.29 1pnx n ASN 3 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1pnx n ASN 3 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1pnx n ASN 3 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 1pnx n LYS 4 N 0.00 -3.46 -1.83 -3.83 2.85 -1.26 -5.02 118.16 105.61 1pnx n LYS 4 Ca 0.00 2.48 -0.29 0.00 -1.05 0.00 0.00 58.31 59.44 1pnx n LYS 4 Cb 0.00 -2.91 0.08 0.00 -0.65 0.00 0.00 35.03 31.55 1pnx n LYS 4 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 1pnx s ILE 5 N -1.33 2.68 0.16 0.58 -5.25 -1.26 -4.99 121.20 111.79 1pnx s ILE 5 Ca 0.00 0.22 -0.31 0.00 -0.99 0.00 0.00 60.65 59.57 1pnx s ILE 5 Cb 0.00 -3.17 -0.11 0.00 2.95 0.00 0.00 42.46 42.13 1pnx s ILE 5 CO 0.00 -0.29 1.70 -2.28 -1.79 0.00 0.00 174.94 172.28 1pnx s HIS 6 N -3.43 2.68 0.44 1.37 5.65 -1.26 -4.86 115.29 115.88 1pnx s HIS 6 Ca 0.61 0.32 0.33 0.00 0.25 0.00 0.00 55.06 56.56 1pnx s HIS 6 Cb -0.12 -4.07 1.72 0.00 -1.18 0.00 0.00 32.58 28.93 1pnx s HIS 6 CO 0.51 -4.17 2.15 -1.00 -0.65 0.00 0.00 174.74 171.58 1pnx h PRO 7 N 7.47 0.00 0.00 2.88 0.13 -1.94 -1.58 132.00 138.96 1pnx h PRO 7 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1pnx h PRO 7 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1pnx h PRO 7 CO 0.94 0.06 -0.01 0.82 -0.23 0.00 0.00 178.00 179.58 1pnx h ILE 8 N 0.00 0.00 -1.63 -3.56 2.04 -1.89 -3.13 117.51 109.34 1pnx h ILE 8 Ca -0.00 -0.08 0.48 0.00 1.00 0.00 0.00 64.86 66.26 1pnx h ILE 8 Cb 0.25 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.25 1pnx h ILE 8 CO 0.01 0.00 1.16 1.23 0.00 0.00 0.00 178.15 180.55 1pnx h GLY 9 N -0.08 0.19 1.49 5.37 0.00 -1.96 1.75 103.07 109.83 1pnx h GLY 9 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 47.33 47.16 1pnx h GLY 9 CO 0.00 -0.05 -0.53 -2.75 0.00 0.00 0.00 176.54 173.21 1pnx h PHE 10 N 0.02 0.67 -0.02 5.60 3.57 -1.41 -3.27 116.94 122.10 1pnx h PHE 10 Ca 0.80 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 62.07 1pnx h PHE 10 Cb 3.12 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 41.73 1pnx h PHE 10 CO -0.00 0.95 -0.19 0.54 -2.23 0.00 0.00 178.31 177.38 1pnx n ARG 11 N -3.97 1.82 -0.35 1.11 1.74 0.58 -4.65 116.66 112.93 1pnx n ARG 11 Ca -0.03 -1.47 0.32 0.00 -0.77 0.00 0.00 57.85 55.90 1pnx n ARG 11 Cb 0.59 -1.47 0.56 0.00 -1.02 0.00 0.00 32.46 31.12 1pnx n ARG 11 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1pnx n LEU 12 N 0.70 0.25 -0.24 0.55 4.77 -0.09 0.15 117.00 123.09 1pnx n LEU 12 Ca 0.12 1.36 -0.02 0.00 -0.03 0.00 0.00 56.01 57.44 1pnx n LEU 12 Cb 0.53 -0.66 0.18 0.00 -2.33 0.00 0.00 43.42 41.13 1pnx n LEU 12 CO 0.20 -1.50 1.17 1.23 -1.33 0.00 0.00 177.39 177.16 1pnx h GLY 13 N 0.00 1.13 0.00 -0.72 0.00 -1.83 -3.42 103.07 98.23 1pnx h GLY 13 Ca 0.77 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1pnx h GLY 13 CO -0.55 0.48 0.00 1.39 0.00 0.00 0.00 176.54 177.86 1pnx n ILE 14 N -4.36 0.00 -0.39 2.60 2.08 0.40 -4.91 119.36 114.78 1pnx n ILE 14 Ca 0.08 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.39 1pnx n ILE 14 Cb 0.09 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.98 1pnx n ILE 14 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1pnx n THR 15 N 0.00 0.00 0.00 1.39 -2.24 -1.25 -4.50 114.28 107.68 1pnx n THR 15 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1pnx n THR 15 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1pnx n THR 15 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1pnx n ARG 16 N -0.13 0.00 -2.77 -0.78 3.00 -1.26 -4.64 116.66 110.09 1pnx n ARG 16 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.65 1pnx n ARG 16 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 32.46 32.49 1pnx n ARG 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1pnx s ASP 17 N 0.00 5.41 0.86 6.15 1.01 -1.26 -4.22 116.67 124.61 1pnx s ASP 17 Ca 0.00 -0.10 -0.12 0.00 0.71 0.00 0.00 52.55 53.04 1pnx s ASP 17 Cb 0.00 -0.86 0.11 0.00 1.01 0.00 0.00 42.92 43.17 1pnx s ASP 17 CO 0.00 -1.01 1.10 0.26 0.21 0.00 0.00 175.17 175.73 1pnx s TRP 18 N -2.64 2.61 -0.83 4.23 0.51 -1.26 -4.99 118.94 116.57 1pnx s TRP 18 Ca 0.56 1.09 0.23 0.00 -2.12 0.00 0.00 56.10 55.87 1pnx s TRP 18 Cb -0.10 -3.20 0.17 0.00 -0.81 0.00 0.00 33.47 29.52 1pnx s TRP 18 CO 0.37 -2.11 1.15 0.39 -0.51 0.00 0.00 176.95 176.24 1pnx n GLU 19 N -3.65 0.12 -3.51 4.98 1.02 -1.26 -4.71 120.64 113.63 1pnx n GLU 19 Ca 0.07 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.97 1pnx n GLU 19 Cb 0.57 -1.54 -0.14 0.00 -0.02 0.00 0.00 31.44 30.31 1pnx n GLU 19 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1pnx s SER 20 N -3.41 2.63 -0.62 1.62 0.01 -1.26 -1.51 113.70 111.16 1pnx s SER 20 Ca 0.07 -0.92 -0.03 0.00 1.31 0.00 0.00 55.95 56.38 1pnx s SER 20 Cb 0.16 -0.04 0.16 0.00 0.21 0.00 0.00 66.02 66.51 1pnx s SER 20 CO 0.78 -0.40 0.44 0.00 0.41 0.00 0.00 173.24 174.47 1pnx s ARG 21 N 2.20 2.57 -0.19 12.44 1.70 -1.21 -4.99 118.95 131.46 1pnx s ARG 21 Ca 0.08 -2.53 -0.16 0.00 -0.47 0.00 0.00 55.73 52.65 1pnx s ARG 21 Cb -0.15 -3.73 0.05 0.00 -0.57 0.00 0.00 34.95 30.54 1pnx s ARG 21 CO -0.28 -1.17 0.49 1.67 -1.08 0.00 0.00 175.30 174.92 1pnx s TRP 22 N -0.06 -0.58 0.79 5.89 1.48 -1.26 -4.31 118.94 120.90 1pnx s TRP 22 Ca 0.17 1.36 -0.12 0.00 -1.06 0.00 0.00 56.10 56.45 1pnx s TRP 22 Cb -0.20 0.22 0.07 0.00 -1.16 0.00 0.00 33.47 32.40 1pnx s TRP 22 CO -0.03 -0.29 1.10 -0.47 -4.06 0.00 0.00 176.95 173.20 1pnx s TYR 23 N 0.54 2.88 -2.28 1.66 5.04 -1.26 -5.04 117.35 118.89 1pnx s TYR 23 Ca -0.02 1.11 0.00 0.00 -2.44 0.00 0.00 57.07 55.72 1pnx s TYR 23 Cb -0.04 -3.14 0.00 0.00 0.35 0.00 0.00 41.96 39.13 1pnx s TYR 23 CO -0.03 -1.73 0.00 0.00 -1.34 0.00 0.00 175.55 172.45 1pnx n ALA 24 N -3.40 0.00 0.00 3.97 0.00 -1.26 -5.02 120.51 114.80 1pnx n ALA 24 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1pnx n ALA 24 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1pnx n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pnx n GLY 25 N -0.24 0.64 2.48 0.00 0.00 -1.26 -4.85 105.19 101.95 1pnx n GLY 25 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1pnx n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pnx n LYS 26 N -0.14 0.00 0.17 1.61 4.76 -1.26 0.15 118.16 123.46 1pnx n LYS 26 Ca 0.00 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.50 1pnx n LYS 26 Cb 0.00 0.00 0.16 0.00 -1.84 0.00 0.00 35.03 33.35 1pnx n LYS 26 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1pnx h LYS 27 N 0.00 0.00 0.00 1.97 1.57 -2.05 -3.40 116.57 114.65 1pnx h LYS 27 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1pnx h LYS 27 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1pnx h LYS 27 CO 0.00 0.34 -1.07 1.04 -0.57 0.00 0.00 179.45 179.19 1pnx n GLN 28 N -3.24 0.53 0.00 3.15 6.02 0.12 -4.68 117.38 119.28 1pnx n GLN 28 Ca 0.02 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 1pnx n GLN 28 Cb 0.62 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.43 1pnx n GLN 28 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1pnx n TYR 29 N -4.46 0.00 0.16 1.08 9.36 -1.17 0.23 117.16 122.36 1pnx n TYR 29 Ca -0.16 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.08 1pnx n TYR 29 Cb 0.53 -0.47 0.37 0.00 -0.63 0.00 0.00 39.34 39.13 1pnx n TYR 29 CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 1pnx h ARG 30 N 0.00 0.10 0.15 2.98 0.11 -1.84 -1.31 114.38 114.56 1pnx h ARG 30 Ca 0.00 -0.03 -0.20 0.00 0.10 0.00 0.00 59.98 59.85 1pnx h ARG 30 Cb 0.00 -0.01 0.02 0.00 1.11 0.00 0.00 29.97 31.09 1pnx h ARG 30 CO 0.00 0.38 -0.88 0.45 0.10 0.00 0.00 179.97 180.02 1pnx h HIS 31 N 0.09 0.61 0.00 4.08 3.86 0.25 -2.45 115.15 121.58 1pnx h HIS 31 Ca 0.01 -0.43 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 1pnx h HIS 31 Cb 0.56 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.00 1pnx h HIS 31 CO 0.00 1.33 0.00 -0.11 0.86 0.00 0.00 177.93 180.01 1pnx n LEU 32 N -4.08 0.00 -0.10 2.43 0.00 -0.54 -2.68 117.00 112.03 1pnx n LEU 32 Ca -0.14 0.37 -0.15 0.00 0.00 0.00 0.00 56.01 56.10 1pnx n LEU 32 Cb 0.85 -0.37 -0.08 0.00 0.00 0.00 0.00 43.42 43.81 1pnx n LEU 32 CO 0.50 -0.18 -1.13 -0.11 0.00 0.00 0.00 177.39 176.47 1pnx n LEU 33 N -1.37 2.68 -0.26 -1.96 0.00 -0.50 -4.11 117.00 111.47 1pnx n LEU 33 Ca 0.06 -0.03 0.15 0.00 0.00 0.00 0.00 56.01 56.18 1pnx n LEU 33 Cb 0.14 -0.65 0.43 0.00 0.00 0.00 0.00 43.42 43.35 1pnx n LEU 33 CO 0.13 0.74 1.22 0.25 0.00 0.00 0.00 177.39 179.73 1pnx h LEU 34 N -0.14 0.56 0.49 -1.96 6.46 -1.34 -0.97 115.31 118.40 1pnx h LEU 34 Ca -0.44 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.35 1pnx h LEU 34 Cb 1.61 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.47 1pnx h LEU 34 CO -0.11 0.25 -0.38 -0.08 -0.62 0.00 0.00 178.44 177.50 1pnx h GLU 35 N 0.57 -0.81 -0.95 1.25 4.81 -1.70 -2.08 114.58 115.67 1pnx h GLU 35 Ca 0.46 0.06 0.35 0.00 -0.13 0.00 0.00 59.36 60.10 1pnx h GLU 35 Cb 0.92 0.18 -0.17 0.00 0.63 0.00 0.00 28.75 30.31 1pnx h GLU 35 CO -0.21 -0.54 0.32 -0.25 -0.73 0.00 0.00 179.01 177.61 1pnx n ASP 36 N -4.72 0.16 0.03 1.04 10.43 -0.40 0.21 116.55 123.30 1pnx n ASP 36 Ca -0.10 1.59 -0.05 0.00 2.57 0.00 0.00 54.79 58.80 1pnx n ASP 36 Cb 0.36 -0.70 0.16 0.00 1.84 0.00 0.00 41.12 42.79 1pnx n ASP 36 CO 0.00 0.00 0.00 1.56 -1.07 0.00 0.00 177.20 177.69 1pnx h GLN 37 N 0.00 0.44 -0.25 -1.24 7.50 -1.14 -0.39 115.11 120.03 1pnx h GLN 37 Ca 0.72 -0.21 -0.02 0.00 0.50 0.00 0.00 58.65 59.64 1pnx h GLN 37 Cb 1.77 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 29.28 1pnx h GLN 37 CO -0.79 0.75 0.08 0.00 -1.50 0.00 0.00 178.83 177.38 1pnx h ARG 38 N 0.37 0.39 0.00 1.46 2.47 0.32 0.19 114.38 119.58 1pnx h ARG 38 Ca 0.04 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1pnx h ARG 38 Cb 0.83 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.09 1pnx h ARG 38 CO 0.07 0.46 0.00 -0.89 0.56 0.00 0.00 179.97 180.16 1pnx n ILE 39 N -4.75 0.00 -0.37 2.04 5.41 0.07 -2.11 119.36 119.65 1pnx n ILE 39 Ca -0.03 1.21 0.33 0.00 1.00 0.00 0.00 62.75 65.26 1pnx n ILE 39 Cb 0.15 -2.03 0.60 0.00 -0.71 0.00 0.00 39.64 37.65 1pnx n ILE 39 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1pnx h ARG 40 N 0.00 0.07 -0.24 0.38 3.08 -1.10 -1.04 114.38 115.51 1pnx h ARG 40 Ca 0.00 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.08 1pnx h ARG 40 Cb 0.00 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 29.96 1pnx h ARG 40 CO 0.00 0.04 -0.55 0.78 -1.07 0.00 0.00 179.97 179.17 1pnx h GLY 41 N 0.07 -1.05 0.81 0.04 0.00 -0.06 -2.16 103.07 100.71 1pnx h GLY 41 Ca 0.83 0.69 -0.02 0.00 0.00 0.00 0.00 47.33 48.84 1pnx h GLY 41 CO -0.62 -0.16 0.02 1.41 0.00 0.00 0.00 176.54 177.18 1pnx h LEU 42 N -0.51 0.21 -0.72 3.11 3.38 -0.96 -2.64 115.31 117.18 1pnx h LEU 42 Ca 0.05 -0.26 0.15 0.00 0.09 0.00 0.00 57.88 57.91 1pnx h LEU 42 Cb 0.65 -0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.24 1pnx h LEU 42 CO -0.50 0.42 0.18 -0.07 0.09 0.00 0.00 178.44 178.56 1pnx h LEU 43 N 0.00 0.04 -0.57 1.67 3.38 -1.36 0.44 115.31 118.90 1pnx h LEU 43 Ca 0.04 0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.99 1pnx h LEU 43 Cb 0.29 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1pnx h LEU 43 CO 0.00 -0.02 -0.63 -0.33 0.09 0.00 0.00 178.44 177.55 1pnx h GLU 44 N 0.28 0.31 0.00 1.13 5.08 -1.41 0.88 114.58 120.85 1pnx h GLU 44 Ca 0.40 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1pnx h GLU 44 Cb 0.67 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1pnx h GLU 44 CO -0.49 0.84 -0.25 0.87 -1.00 0.00 0.00 179.01 178.99 1pnx h LYS 45 N 0.22 0.00 0.00 2.33 1.79 -0.56 -3.35 116.57 117.00 1pnx h LYS 45 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1pnx h LYS 45 Cb 1.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1pnx h LYS 45 CO 0.10 0.25 0.00 0.39 -1.08 0.00 0.00 179.45 179.11 1pnx n GLU 46 N -3.48 0.00 0.00 3.15 -0.58 0.13 -4.69 120.64 115.17 1pnx n GLU 46 Ca -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1pnx n GLU 46 Cb 0.41 -0.02 0.00 0.00 -0.57 0.00 0.00 31.44 31.27 1pnx n GLU 46 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1pnx n LEU 47 N -1.49 0.00 0.40 -4.62 4.32 0.28 -4.16 117.00 111.74 1pnx n LEU 47 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 56.01 55.82 1pnx n LEU 47 Cb 0.00 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 41.71 1pnx n LEU 47 CO 0.00 0.00 0.52 0.22 -1.22 0.00 0.00 177.39 176.91 1pnx h TYR 48 N 1.60 -0.94 0.00 -1.77 3.20 -1.75 -2.80 116.97 114.51 1pnx h TYR 48 Ca 0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1pnx h TYR 48 Cb 0.00 0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.58 1pnx h TYR 48 CO 0.01 -0.57 0.02 0.66 -1.64 0.00 0.00 178.16 176.64 1pnx h SER 49 N -1.14 0.00 0.52 -2.11 4.64 -1.95 0.33 113.55 113.84 1pnx h SER 49 Ca -0.10 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.08 1pnx h SER 49 Cb 0.80 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.87 1pnx h SER 49 CO 0.17 0.00 -0.62 0.00 -0.87 0.00 0.00 176.83 175.52 1pnx h ALA 50 N 1.96 0.93 -0.94 5.18 0.00 -1.81 -3.47 119.26 121.12 1pnx h ALA 50 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1pnx h ALA 50 Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1pnx h ALA 50 CO 0.00 0.76 0.00 0.41 0.00 0.00 0.00 179.25 180.42 1pnx n GLY 51 N 0.26 0.34 3.77 0.00 0.00 0.11 -1.71 105.19 107.94 1pnx n GLY 51 Ca -0.02 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 1pnx n GLY 51 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1pnx s LEU 52 N -0.41 3.56 0.00 0.99 2.34 -1.24 -2.73 118.68 121.18 1pnx s LEU 52 Ca 0.00 2.12 0.00 0.00 0.06 0.00 0.00 54.13 56.31 1pnx s LEU 52 Cb 0.00 -4.57 0.00 0.00 -0.56 0.00 0.00 46.19 41.06 1pnx s LEU 52 CO 0.00 -1.49 0.00 0.00 -1.06 0.00 0.00 176.35 173.80 1pnx n ALA 53 N -1.89 0.24 -3.61 1.48 0.00 -1.05 -4.65 120.51 111.03 1pnx n ALA 53 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.49 1pnx n ALA 53 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 1pnx n ALA 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1pnx s ARG 54 N -0.48 0.35 -0.50 0.00 3.52 -1.26 -4.91 118.95 115.68 1pnx s ARG 54 Ca 0.00 0.06 0.05 0.00 -0.13 0.00 0.00 55.73 55.71 1pnx s ARG 54 Cb 0.00 0.16 0.19 0.00 -1.56 0.00 0.00 34.95 33.74 1pnx s ARG 54 CO 0.00 -0.11 0.43 0.28 -0.81 0.00 0.00 175.30 175.09 1pnx n VAL 55 N 0.56 -0.21 -1.86 7.11 0.31 -1.26 -1.67 118.33 121.32 1pnx n VAL 55 Ca -0.05 -3.98 -0.40 0.00 -0.01 0.00 0.00 64.34 59.90 1pnx n VAL 55 Cb 0.58 -1.86 0.01 0.00 -0.91 0.00 0.00 33.84 31.67 1pnx n VAL 55 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1pnx s ASP 56 N -0.66 6.02 -0.32 4.52 1.11 -1.26 -4.79 116.67 121.30 1pnx s ASP 56 Ca 0.32 2.87 -0.02 0.00 0.18 0.00 0.00 52.55 55.90 1pnx s ASP 56 Cb 0.04 -2.65 0.12 0.00 1.07 0.00 0.00 42.92 41.50 1pnx s ASP 56 CO -0.17 -1.07 0.16 -0.63 1.18 0.00 0.00 175.17 174.64 1pnx s ILE 57 N -1.21 0.06 0.46 0.77 1.01 -0.57 -1.30 121.20 120.42 1pnx s ILE 57 Ca 0.59 -1.18 0.00 0.00 0.00 0.00 0.00 60.65 60.06 1pnx s ILE 57 Cb -0.43 -1.06 -0.00 0.00 0.01 0.00 0.00 42.46 40.98 1pnx s ILE 57 CO 0.55 -0.84 0.69 -1.61 0.00 0.00 0.00 174.94 173.73 1pnx s GLU 58 N 1.65 3.04 0.23 2.79 2.02 -1.26 -3.36 118.70 123.81 1pnx s GLU 58 Ca 0.13 -0.47 -0.18 0.00 0.02 0.00 0.00 54.97 54.47 1pnx s GLU 58 Cb -0.19 -2.54 0.02 0.00 0.10 0.00 0.00 34.13 31.52 1pnx s GLU 58 CO -0.21 -0.31 0.58 1.03 0.02 0.00 0.00 175.26 176.37 1pnx s ARG 59 N -4.59 1.52 0.00 1.61 0.52 -1.26 -1.41 118.95 115.35 1pnx s ARG 59 Ca 0.49 -0.95 0.00 0.00 -0.52 0.00 0.00 55.73 54.75 1pnx s ARG 59 Cb -0.10 0.54 0.00 0.00 0.52 0.00 0.00 34.95 35.91 1pnx s ARG 59 CO 0.38 -0.66 0.00 0.00 0.02 0.00 0.00 175.30 175.04 1pnx n ALA 60 N -0.39 0.26 0.00 2.13 0.00 -1.26 -4.84 120.51 116.41 1pnx n ALA 60 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1pnx n ALA 60 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1pnx n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pnx n ALA 61 N -0.86 0.00 -1.97 0.00 0.00 -1.26 -4.99 120.51 111.43 1pnx n ALA 61 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1pnx n ALA 61 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1pnx n ALA 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1pnx n ASP 62 N 0.00 -0.50 -2.82 0.00 8.00 -1.26 -4.62 116.55 115.35 1pnx n ASP 62 Ca 0.00 -0.18 -0.11 0.00 0.71 0.00 0.00 54.79 55.21 1pnx n ASP 62 Cb 0.00 -0.46 0.05 0.00 -0.02 0.00 0.00 41.12 40.69 1pnx n ASP 62 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1pnx n ASN 63 N -0.38 -2.15 -4.48 -2.24 3.02 -1.24 -4.44 115.26 103.35 1pnx n ASN 63 Ca 0.02 -3.36 -0.30 0.00 -0.03 0.00 0.00 54.58 50.91 1pnx n ASN 63 Cb 0.16 1.45 0.21 0.00 -0.61 0.00 0.00 39.78 40.98 1pnx n ASN 63 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1pnx n VAL 64 N 1.10 0.00 0.00 2.41 0.31 -1.23 -4.53 118.33 116.40 1pnx n VAL 64 Ca 0.10 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1pnx n VAL 64 Cb 0.65 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.69 1pnx n VAL 64 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pnx n ALA 65 N -4.57 0.05 -1.45 3.52 0.00 -0.50 -2.72 120.51 114.84 1pnx n ALA 65 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1pnx n ALA 65 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1pnx n ALA 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pnx n VAL 66 N -0.30 -6.45 -3.20 0.00 0.31 -1.22 -3.31 118.33 104.16 1pnx n VAL 66 Ca 0.00 1.25 -0.23 0.00 -0.01 0.00 0.00 64.34 65.34 1pnx n VAL 66 Cb 0.00 -4.06 -0.06 0.00 -0.91 0.00 0.00 33.84 28.81 1pnx n VAL 66 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1pnx n THR 67 N 0.71 0.65 -1.57 2.52 -1.04 -0.42 -1.92 114.28 113.21 1pnx n THR 67 Ca 0.00 -4.66 -0.52 0.00 -2.04 0.00 0.00 64.05 56.82 1pnx n THR 67 Cb 0.00 -1.42 -0.06 0.00 -1.82 0.00 0.00 70.33 67.03 1pnx n THR 67 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1pnx n VAL 68 N 0.72 0.16 -4.00 12.58 0.31 -1.20 -4.11 118.33 122.79 1pnx n VAL 68 Ca 0.25 -0.04 -0.35 0.00 -0.01 0.00 0.00 64.34 64.20 1pnx n VAL 68 Cb 0.52 -0.70 -0.11 0.00 -0.91 0.00 0.00 33.84 32.64 1pnx n VAL 68 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1pnx s HIS 69 N 0.30 3.16 0.18 3.52 3.76 -0.67 -2.32 115.29 123.21 1pnx s HIS 69 Ca 0.83 -0.14 0.02 0.00 -0.15 0.00 0.00 55.06 55.63 1pnx s HIS 69 Cb -0.98 -2.11 -0.05 0.00 1.11 0.00 0.00 32.58 30.55 1pnx s HIS 69 CO 0.49 -0.04 -0.00 0.08 -0.85 0.00 0.00 174.74 174.42 1pnx s VAL 70 N 0.77 0.72 -0.11 -0.90 1.01 -0.67 -2.53 120.40 118.69 1pnx s VAL 70 Ca 0.03 -1.99 -0.06 0.00 0.00 0.00 0.00 61.98 59.96 1pnx s VAL 70 Cb -0.14 -2.12 -0.26 0.00 0.00 0.00 0.00 36.38 33.86 1pnx s VAL 70 CO 0.02 -0.48 0.41 0.00 0.00 0.00 0.00 175.10 175.06 1pnx h ALA 71 N 2.68 0.43 -2.52 5.51 0.00 -1.45 1.36 119.26 125.28 1pnx h ALA 71 Ca -0.37 -1.37 -0.66 0.00 0.00 0.00 0.00 54.91 52.51 1pnx h ALA 71 Cb 1.20 0.67 -0.39 0.00 0.00 0.00 0.00 17.79 19.28 1pnx h ALA 71 CO 0.63 1.31 -0.29 1.63 0.00 0.00 0.00 179.25 182.52 1pnx n LYS 72 N -3.47 2.65 0.33 0.00 5.02 -0.69 -4.62 118.16 117.38 1pnx n LYS 72 Ca -0.30 -4.58 0.13 0.00 -2.02 0.00 0.00 58.31 51.55 1pnx n LYS 72 Cb 1.05 -2.33 0.71 0.00 -0.02 0.00 0.00 35.03 34.44 1pnx n LYS 72 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1pnx h PRO 73 N 5.03 0.00 0.14 1.97 0.13 -1.84 -2.40 132.00 135.03 1pnx h PRO 73 Ca 0.18 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.30 1pnx h PRO 73 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1pnx h PRO 73 CO 0.88 0.00 -0.07 0.78 -0.23 0.00 0.00 178.00 179.36 1pnx h GLY 74 N 0.00 -0.20 -1.09 1.56 0.00 -1.95 -2.40 103.07 98.99 1pnx h GLY 74 Ca 0.00 0.07 0.38 0.00 0.00 0.00 0.00 47.33 47.79 1pnx h GLY 74 CO -0.00 -0.07 0.69 -0.62 0.00 0.00 0.00 176.54 176.54 1pnx n VAL 75 N -2.59 -0.22 0.00 4.60 0.31 -0.90 -0.86 118.33 118.67 1pnx n VAL 75 Ca -0.02 1.50 0.00 0.00 -0.01 0.00 0.00 64.34 65.80 1pnx n VAL 75 Cb 0.07 -2.45 0.00 0.00 -0.91 0.00 0.00 33.84 30.56 1pnx n VAL 75 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1pnx n VAL 76 N -4.39 0.00 -0.14 2.52 0.31 -1.16 -4.18 118.33 111.29 1pnx n VAL 76 Ca 0.33 0.93 -0.04 0.00 -0.01 0.00 0.00 64.34 65.55 1pnx n VAL 76 Cb 1.25 -1.76 -0.03 0.00 -0.91 0.00 0.00 33.84 32.39 1pnx n VAL 76 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1pnx n ILE 77 N -1.26 -0.22 0.00 2.52 2.08 -0.04 -3.96 119.36 118.49 1pnx n ILE 77 Ca 0.00 1.66 0.00 0.00 0.56 0.00 0.00 62.75 64.97 1pnx n ILE 77 Cb 0.00 -2.13 0.00 0.00 -0.75 0.00 0.00 39.64 36.76 1pnx n ILE 77 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1pnx n GLY 78 N -1.08 0.04 3.58 7.39 0.00 -0.69 0.13 105.19 114.55 1pnx n GLY 78 Ca 0.01 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.35 1pnx n GLY 78 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pnx s ARG 79 N 0.00 3.53 0.00 1.61 1.70 -1.26 -3.57 118.95 120.96 1pnx s ARG 79 Ca 0.00 0.25 0.00 0.00 -0.47 0.00 0.00 55.73 55.51 1pnx s ARG 79 Cb 0.00 -4.00 0.00 0.00 -0.57 0.00 0.00 34.95 30.38 1pnx s ARG 79 CO 0.00 -1.59 0.00 0.41 -1.08 0.00 0.00 175.30 173.04 1pnx n GLY 80 N 5.03 1.95 0.00 3.88 0.00 -1.26 -2.17 105.19 112.62 1pnx n GLY 80 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1pnx n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pnx n GLY 81 N -1.85 1.99 0.09 -0.02 0.00 -1.23 -5.05 105.19 99.12 1pnx n GLY 81 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1pnx n GLY 81 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1pnx h GLU 82 N 0.00 0.15 -0.01 1.61 -0.00 -1.54 -3.33 114.58 111.46 1pnx h GLU 82 Ca 0.00 -0.23 -0.22 0.00 -0.00 0.00 0.00 59.36 58.91 1pnx h GLU 82 Cb 0.00 0.08 0.02 0.00 -0.00 0.00 0.00 28.75 28.85 1pnx h GLU 82 CO 0.00 1.08 -0.86 -0.09 -0.00 0.00 0.00 179.01 179.14 1pnx h ARG 83 N 0.05 0.60 0.00 1.06 2.43 -1.57 -2.75 114.38 114.20 1pnx h ARG 83 Ca -0.07 -0.63 0.00 0.00 -0.81 0.00 0.00 59.98 58.47 1pnx h ARG 83 Cb 1.80 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 31.53 1pnx h ARG 83 CO 0.16 1.24 0.00 1.51 -1.51 0.00 0.00 179.97 181.37 1pnx n ILE 84 N -4.00 0.00 -0.12 1.20 3.06 0.35 0.25 119.36 120.10 1pnx n ILE 84 Ca -0.11 0.00 -0.25 0.00 -2.50 0.00 0.00 62.75 59.90 1pnx n ILE 84 Cb 0.79 -0.90 -0.11 0.00 0.54 0.00 0.00 39.64 39.96 1pnx n ILE 84 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 1pnx n ARG 85 N -0.94 0.62 0.44 9.51 3.00 -1.05 -3.42 116.66 124.81 1pnx n ARG 85 Ca 0.02 0.27 -0.19 0.00 -0.00 0.00 0.00 57.85 57.95 1pnx n ARG 85 Cb 0.01 -1.55 -0.09 0.00 0.00 0.00 0.00 32.46 30.82 1pnx n ARG 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1pnx h VAL 86 N -0.62 0.19 0.62 5.15 2.07 -0.03 -2.00 116.25 121.63 1pnx h VAL 86 Ca -0.60 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 1pnx h VAL 86 Cb 1.70 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1pnx h VAL 86 CO -0.26 0.00 -0.34 -0.07 0.02 0.00 0.00 177.57 176.93 1pnx h LEU 87 N -1.11 -0.82 -1.40 2.57 3.38 -1.43 0.57 115.31 117.06 1pnx h LEU 87 Ca -0.11 0.04 0.29 0.00 0.09 0.00 0.00 57.88 58.19 1pnx h LEU 87 Cb 0.84 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 1pnx h LEU 87 CO 0.18 -0.54 1.06 -0.09 0.09 0.00 0.00 178.44 179.14 1pnx h ARG 88 N -0.88 0.00 0.05 1.13 2.43 -1.62 1.03 114.38 116.52 1pnx h ARG 88 Ca -0.08 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.78 1pnx h ARG 88 Cb 0.69 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 1pnx h ARG 88 CO 0.11 0.00 -1.71 -1.91 -1.51 0.00 0.00 179.97 174.96 1pnx n GLU 89 N -3.46 0.65 0.19 0.20 2.13 -0.75 -3.79 120.64 115.80 1pnx n GLU 89 Ca 0.22 0.41 0.18 0.00 0.66 0.00 0.00 57.16 58.64 1pnx n GLU 89 Cb 1.37 -1.70 0.79 0.00 0.27 0.00 0.00 31.44 32.17 1pnx n GLU 89 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1pnx h GLU 90 N -0.53 0.00 0.15 5.31 4.22 0.63 -0.68 114.58 123.68 1pnx h GLU 90 Ca -0.42 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.02 1pnx h GLU 90 Cb 1.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.90 1pnx h GLU 90 CO -0.10 0.00 -0.07 1.25 -2.18 0.00 0.00 179.01 177.91 1pnx h LEU 91 N 0.00 -0.17 -0.69 1.64 6.46 0.04 -3.08 115.31 119.51 1pnx h LEU 91 Ca 0.11 -0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 1pnx h LEU 91 Cb 0.84 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.81 1pnx h LEU 91 CO -0.00 0.13 0.00 0.00 -0.62 0.00 0.00 178.44 177.95 1pnx h ALA 92 N 0.31 1.00 0.00 1.25 0.00 -1.24 -0.76 119.26 119.82 1pnx h ALA 92 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pnx h ALA 92 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1pnx h ALA 92 CO 0.03 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.91 1pnx n LYS 93 N -2.37 1.00 0.00 0.00 4.76 -1.02 -2.89 118.16 117.64 1pnx n LYS 93 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1pnx n LYS 93 Cb 0.27 -1.02 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 1pnx n LYS 93 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1pnx n LEU 94 N -0.52 1.65 -3.69 -0.35 0.00 -0.42 -4.98 117.00 108.69 1pnx n LEU 94 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 56.01 55.73 1pnx n LEU 94 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 43.42 43.27 1pnx n LEU 94 CO 0.01 0.28 -0.34 0.42 0.00 0.00 0.00 177.39 177.75 1pnx s THR 95 N -1.64 0.58 0.63 1.96 -4.23 -0.47 -4.96 115.64 107.51 1pnx s THR 95 Ca 0.00 -1.08 0.29 0.00 -1.18 0.00 0.00 61.69 59.72 1pnx s THR 95 Cb 0.00 -1.38 0.33 0.00 1.34 0.00 0.00 72.50 72.79 1pnx s THR 95 CO 0.00 -0.60 1.92 1.23 -0.54 0.00 0.00 174.62 176.63 1pnx h GLY 96 N 8.20 0.00 -0.98 3.99 0.00 -1.86 -3.11 103.07 109.31 1pnx h GLY 96 Ca -0.16 0.00 0.28 0.00 0.00 0.00 0.00 47.33 47.46 1pnx h GLY 96 CO 0.44 0.00 0.72 0.28 0.00 0.00 0.00 176.54 177.98 1pnx n LYS 97 N -3.25 0.00 -1.96 4.80 4.76 -1.26 -4.82 118.16 116.43 1pnx n LYS 97 Ca 0.02 0.55 -0.01 0.00 -2.87 0.00 0.00 58.31 56.00 1pnx n LYS 97 Cb 0.48 -1.28 -0.01 0.00 -1.84 0.00 0.00 35.03 32.39 1pnx n LYS 97 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1pnx n ASN 98 N -2.93 -3.15 -4.20 4.39 2.85 -1.18 -3.70 115.26 107.34 1pnx n ASN 98 Ca 0.22 0.55 -0.17 0.00 -0.11 0.00 0.00 54.58 55.07 1pnx n ASN 98 Cb 1.02 -2.70 -0.11 0.00 1.24 0.00 0.00 39.78 39.22 1pnx n ASN 98 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1pnx s VAL 99 N -0.49 1.16 0.00 3.44 0.11 -1.26 -3.49 120.40 119.87 1pnx s VAL 99 Ca -0.05 -1.56 0.00 0.00 -2.93 0.00 0.00 61.98 57.44 1pnx s VAL 99 Cb 0.00 -1.34 0.00 0.00 -1.53 0.00 0.00 36.38 33.52 1pnx s VAL 99 CO 0.31 -0.39 0.00 0.00 -3.33 0.00 0.00 175.10 171.69 1pnx n ALA 100 N 0.78 0.00 0.00 1.54 0.00 -1.10 -4.95 120.51 116.78 1pnx n ALA 100 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1pnx n ALA 100 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1pnx n ALA 100 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1pnx n LEU 101 N 0.00 0.00 -4.73 0.00 0.00 -1.21 -4.81 117.00 106.25 1pnx n LEU 101 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 56.01 55.72 1pnx n LEU 101 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 43.42 43.61 1pnx n LEU 101 CO 0.00 0.00 0.70 0.20 0.00 0.00 0.00 177.39 178.29 1pnx s ASN 102 N 0.00 2.36 -0.26 1.96 0.01 -0.81 -4.95 114.94 113.26 1pnx s ASN 102 Ca 0.00 0.73 -0.02 0.00 -0.71 0.00 0.00 52.86 52.86 1pnx s ASN 102 Cb 0.00 -1.09 0.15 0.00 0.41 0.00 0.00 41.25 40.72 1pnx s ASN 102 CO 0.00 -3.24 0.42 -0.69 -1.51 0.00 0.00 177.10 172.08 1pnx s VAL 103 N -3.26 -0.68 0.11 1.60 1.01 -1.26 -3.23 120.40 114.68 1pnx s VAL 103 Ca 0.69 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1pnx s VAL 103 Cb -0.11 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1pnx s VAL 103 CO 0.55 -0.11 0.27 -1.10 0.00 0.00 0.00 175.10 174.71 1pnx s GLN 104 N 2.61 3.47 0.08 2.72 -0.21 -0.98 -5.00 119.66 122.34 1pnx s GLN 104 Ca 0.14 -0.44 -0.07 0.00 0.02 0.00 0.00 55.36 55.01 1pnx s GLN 104 Cb -0.15 -2.97 -0.05 0.00 1.00 0.00 0.00 33.01 30.83 1pnx s GLN 104 CO -0.18 0.54 0.35 -2.00 -2.12 0.00 0.00 175.29 171.88 1pnx s GLU 105 N -2.85 3.66 -0.34 2.91 2.12 -1.26 -1.66 118.70 121.27 1pnx s GLU 105 Ca 0.36 0.01 -0.24 0.00 0.36 0.00 0.00 54.97 55.46 1pnx s GLU 105 Cb -0.12 -2.98 0.01 0.00 0.26 0.00 0.00 34.13 31.30 1pnx s GLU 105 CO 0.28 0.56 0.82 0.08 -0.54 0.00 0.00 175.26 176.46 1pnx s VAL 106 N -1.45 4.72 -0.92 3.70 1.01 0.47 -4.83 120.40 123.10 1pnx s VAL 106 Ca 0.34 1.07 -0.24 0.00 0.00 0.00 0.00 61.98 63.14 1pnx s VAL 106 Cb -0.13 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 32.04 1pnx s VAL 106 CO 0.20 -0.39 1.60 -1.10 0.00 0.00 0.00 175.10 175.40 1pnx s GLN 107 N 3.14 3.16 -0.05 2.72 1.11 -1.26 -4.17 119.66 124.32 1pnx s GLN 107 Ca 0.33 -0.63 -0.00 0.00 0.01 0.00 0.00 55.36 55.07 1pnx s GLN 107 Cb -0.13 -5.04 0.00 0.00 -1.01 0.00 0.00 33.01 26.83 1pnx s GLN 107 CO 0.16 -2.58 0.01 -1.71 0.01 0.00 0.00 175.29 171.18 1pnx n ASN 108 N 10.72 -2.75 0.00 5.90 5.15 -1.26 -4.82 115.26 128.19 1pnx n ASN 108 Ca 0.30 0.24 0.03 0.00 -0.60 0.00 0.00 54.58 54.54 1pnx n ASN 108 Cb 0.50 -1.72 0.17 0.00 -0.53 0.00 0.00 39.78 38.20 1pnx n ASN 108 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1pnx n PRO 109 N 0.15 0.25 -0.25 1.20 -0.04 -1.26 -2.02 135.00 133.03 1pnx n PRO 109 Ca -0.01 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.50 1pnx n PRO 109 Cb 0.02 -1.36 0.16 0.00 -0.04 0.00 0.00 33.50 32.29 1pnx n PRO 109 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1pnx n ASN 110 N -0.86 2.26 -0.49 3.54 5.15 -1.26 -3.24 115.26 120.36 1pnx n ASN 110 Ca 0.04 -2.13 0.01 0.00 -0.60 0.00 0.00 54.58 51.91 1pnx n ASN 110 Cb 0.02 -0.34 0.01 0.00 -0.53 0.00 0.00 39.78 38.95 1pnx n ASN 110 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1pnx n LEU 111 N 0.46 0.23 -4.11 1.20 4.77 -0.86 -4.28 117.00 114.41 1pnx n LEU 111 Ca 0.12 -1.21 -0.36 0.00 -0.03 0.00 0.00 56.01 54.53 1pnx n LEU 111 Cb 0.41 -0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.35 1pnx n LEU 111 CO 0.10 0.30 -0.12 -0.44 -1.33 0.00 0.00 177.39 175.90 1pnx s SER 112 N -1.19 5.24 0.29 -1.43 0.01 -1.20 -4.98 113.70 110.45 1pnx s SER 112 Ca 0.04 -2.23 -0.01 0.00 1.31 0.00 0.00 55.95 55.06 1pnx s SER 112 Cb 0.04 -1.83 0.66 0.00 0.21 0.00 0.00 66.02 65.09 1pnx s SER 112 CO -0.00 -0.50 1.58 0.00 0.41 0.00 0.00 173.24 174.72 1pnx h ALA 113 N 7.81 1.03 -0.91 1.44 0.00 -1.86 0.69 119.26 127.45 1pnx h ALA 113 Ca -0.10 0.33 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1pnx h ALA 113 Cb 1.02 0.60 -0.05 0.00 0.00 0.00 0.00 17.79 19.36 1pnx h ALA 113 CO 0.70 -0.52 0.59 -1.35 0.00 0.00 0.00 179.25 178.68 1pnx h PRO 114 N 0.02 1.12 0.50 0.00 0.11 -1.84 0.80 132.00 132.70 1pnx h PRO 114 Ca 0.55 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.57 1pnx h PRO 114 Cb 1.07 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1pnx h PRO 114 CO -0.90 0.74 -0.24 -0.07 -0.21 0.00 0.00 178.00 177.32 1pnx h LEU 115 N 1.15 -0.56 -0.98 2.35 3.38 -0.04 -0.55 115.31 120.06 1pnx h LEU 115 Ca 0.36 -0.03 0.27 0.00 0.09 0.00 0.00 57.88 58.57 1pnx h LEU 115 Cb -0.01 0.15 -0.13 0.00 0.09 0.00 0.00 40.66 40.75 1pnx h LEU 115 CO -0.12 -0.15 0.54 0.58 0.09 0.00 0.00 178.44 179.38 1pnx h VAL 116 N -1.12 0.43 0.64 1.22 2.07 -0.61 0.83 116.25 119.72 1pnx h VAL 116 Ca -0.07 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1pnx h VAL 116 Cb 0.56 -0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1pnx h VAL 116 CO 0.11 0.08 -0.31 0.00 0.02 0.00 0.00 177.57 177.48 1pnx h ALA 117 N 1.77 -1.19 -0.99 1.67 0.00 -0.77 -1.59 119.26 118.15 1pnx h ALA 117 Ca 0.66 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 55.55 1pnx h ALA 117 Cb 1.35 0.33 -0.10 0.00 0.00 0.00 0.00 17.79 19.37 1pnx h ALA 117 CO -0.54 -1.13 0.62 1.96 0.00 0.00 0.00 179.25 180.16 1pnx h GLN 118 N -0.89 0.75 -0.14 0.00 4.20 0.24 0.65 115.11 119.93 1pnx h GLN 118 Ca -0.09 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.63 1pnx h GLN 118 Cb 0.66 -0.17 -0.06 0.00 0.30 0.00 0.00 27.48 28.21 1pnx h GLN 118 CO 0.14 0.50 -0.27 -0.09 -0.67 0.00 0.00 178.83 178.45 1pnx h ARG 119 N 0.78 -0.32 -0.35 1.46 9.65 0.77 0.11 114.38 126.49 1pnx h ARG 119 Ca 0.55 0.02 -0.17 0.00 -1.10 0.00 0.00 59.98 59.28 1pnx h ARG 119 Cb 0.84 0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 29.48 1pnx h ARG 119 CO -0.33 -0.21 -0.44 0.28 2.80 0.00 0.00 179.97 182.06 1pnx h VAL 120 N -0.33 1.27 -0.59 0.20 2.07 0.13 -2.81 116.25 116.19 1pnx h VAL 120 Ca 0.10 -1.62 0.08 0.00 0.82 0.00 0.00 66.70 66.08 1pnx h VAL 120 Cb 0.49 1.47 -0.06 0.00 -1.52 0.00 0.00 31.29 31.67 1pnx h VAL 120 CO -0.33 0.54 0.25 0.00 0.02 0.00 0.00 177.57 178.05 1pnx h ALA 121 N 0.76 0.77 0.60 1.67 0.00 0.66 -1.82 119.26 121.90 1pnx h ALA 121 Ca 0.04 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1pnx h ALA 121 Cb 1.04 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.85 1pnx h ALA 121 CO 0.10 -0.14 -0.29 0.93 0.00 0.00 0.00 179.25 179.85 1pnx h GLU 122 N 0.46 -0.78 -0.73 0.00 5.08 -0.72 -2.34 114.58 115.54 1pnx h GLU 122 Ca 0.29 0.05 0.16 0.00 -1.00 0.00 0.00 59.36 58.86 1pnx h GLU 122 Cb 0.30 0.18 -0.13 0.00 0.50 0.00 0.00 28.75 29.60 1pnx h GLU 122 CO -0.26 -0.49 -0.06 1.96 -1.00 0.00 0.00 179.01 179.16 1pnx h GLN 123 N -0.91 0.06 -0.63 2.33 4.20 -1.28 0.61 115.11 119.49 1pnx h GLN 123 Ca -0.08 -0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.68 1pnx h GLN 123 Cb 0.65 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.38 1pnx h GLN 123 CO 0.14 0.04 0.42 0.82 -0.67 0.00 0.00 178.83 179.58 1pnx h ILE 124 N 0.06 1.01 -0.02 2.54 2.04 -1.21 0.69 117.51 122.62 1pnx h ILE 124 Ca 0.38 -0.22 -0.12 0.00 1.00 0.00 0.00 64.86 65.90 1pnx h ILE 124 Cb 0.64 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1pnx h ILE 124 CO -0.68 0.12 -0.57 -0.33 0.00 0.00 0.00 178.15 176.68 1pnx h GLU 125 N 0.64 0.06 0.00 2.37 5.08 0.71 -2.55 114.58 120.88 1pnx h GLU 125 Ca 0.27 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1pnx h GLU 125 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1pnx h GLU 125 CO -0.08 0.61 0.00 0.54 -1.00 0.00 0.00 179.01 179.08 1pnx n ARG 126 N -3.87 0.48 -1.90 2.33 1.74 0.17 -4.92 116.66 110.70 1pnx n ARG 126 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1pnx n ARG 126 Cb 0.58 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 1pnx n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1pnx n ARG 127 N -1.26 0.00 -2.46 5.56 1.74 -0.80 -5.08 116.66 114.37 1pnx n ARG 127 Ca 0.15 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.95 1pnx n ARG 127 Cb 0.23 -2.21 0.01 0.00 -1.02 0.00 0.00 32.46 29.47 1pnx n ARG 127 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1pnx s PHE 128 N -2.59 3.51 -0.12 -1.55 0.40 -1.01 -4.98 117.98 111.65 1pnx s PHE 128 Ca 0.00 0.86 -0.29 0.00 -0.60 0.00 0.00 56.93 56.90 1pnx s PHE 128 Cb 0.00 -2.46 -0.05 0.00 0.51 0.00 0.00 43.02 41.02 1pnx s PHE 128 CO 0.00 -0.46 1.71 0.00 0.70 0.00 0.00 175.22 177.17 1pnx s ALA 129 N -2.87 3.43 0.08 5.36 0.00 -1.26 -4.74 121.76 121.76 1pnx s ALA 129 Ca 0.50 0.80 -0.29 0.00 0.00 0.00 0.00 51.96 52.97 1pnx s ALA 129 Cb -0.10 -3.82 -0.13 0.00 0.00 0.00 0.00 23.12 19.07 1pnx s ALA 129 CO 0.47 -1.71 1.46 0.28 0.00 0.00 0.00 175.76 176.25 1pnx h VAL 130 N 5.90 0.00 -0.86 0.00 2.07 -1.97 -0.92 116.25 120.46 1pnx h VAL 130 Ca -0.38 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.32 1pnx h VAL 130 Cb 1.18 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.84 1pnx h VAL 130 CO 0.97 0.00 0.39 -0.09 0.02 0.00 0.00 177.57 178.86 1pnx h ARG 131 N -0.69 0.46 0.51 1.57 2.43 -1.99 -0.43 114.38 116.23 1pnx h ARG 131 Ca -0.02 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1pnx h ARG 131 Cb 0.66 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1pnx h ARG 131 CO -0.18 0.30 -0.25 0.00 -1.51 0.00 0.00 179.97 178.34 1pnx h ARG 132 N 0.47 -0.66 -1.00 0.20 3.08 -1.87 -0.72 114.38 113.89 1pnx h ARG 132 Ca 0.51 0.04 0.37 0.00 0.07 0.00 0.00 59.98 60.97 1pnx h ARG 132 Cb 0.88 0.15 -0.18 0.00 0.08 0.00 0.00 29.97 30.90 1pnx h ARG 132 CO -0.46 -0.44 0.36 0.00 -1.07 0.00 0.00 179.97 178.36 1pnx h ALA 133 N -1.68 1.82 0.63 0.04 0.00 -0.56 0.17 119.26 119.67 1pnx h ALA 133 Ca -0.07 0.29 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1pnx h ALA 133 Cb 0.52 0.42 0.01 0.00 0.00 0.00 0.00 17.79 18.74 1pnx h ALA 133 CO 0.11 -0.82 -0.30 0.82 0.00 0.00 0.00 179.25 179.07 1pnx h ILE 134 N 0.01 0.21 -0.70 0.00 2.04 -0.85 -1.36 117.51 116.87 1pnx h ILE 134 Ca 0.76 -0.32 0.11 0.00 1.00 0.00 0.00 64.86 66.42 1pnx h ILE 134 Cb 1.88 0.28 -0.08 0.00 -0.74 0.00 0.00 36.82 38.17 1pnx h ILE 134 CO -0.82 0.03 0.29 0.11 0.00 0.00 0.00 178.15 177.76 1pnx h LYS 135 N -1.10 0.46 0.36 2.37 1.57 0.66 -0.59 116.57 120.30 1pnx h LYS 135 Ca -0.09 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1pnx h LYS 135 Cb 0.69 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 1pnx h LYS 135 CO 0.14 0.31 -0.45 1.96 -0.57 0.00 0.00 179.45 180.83 1pnx h GLN 136 N 0.48 -0.82 -0.57 3.15 4.20 -0.78 -0.37 115.11 120.40 1pnx h GLN 136 Ca 0.37 0.06 0.11 0.00 0.06 0.00 0.00 58.65 59.25 1pnx h GLN 136 Cb 0.49 0.19 -0.11 0.00 0.30 0.00 0.00 27.48 28.34 1pnx h GLN 136 CO -0.34 -0.55 -0.17 0.00 -0.67 0.00 0.00 178.83 177.10 1pnx h ALA 137 N -0.55 0.32 -0.95 3.87 0.00 -0.40 0.31 119.26 121.86 1pnx h ALA 137 Ca -0.03 0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1pnx h ALA 137 Cb 0.78 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1pnx h ALA 137 CO -0.12 -0.46 0.63 0.28 0.00 0.00 0.00 179.25 179.58 1pnx h VAL 138 N -0.03 1.22 0.77 0.00 2.07 -0.89 -1.10 116.25 118.30 1pnx h VAL 138 Ca 0.27 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1pnx h VAL 138 Cb 0.45 -0.15 0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1pnx h VAL 138 CO -0.60 0.23 -0.37 1.56 0.02 0.00 0.00 177.57 178.41 1pnx h GLN 139 N 1.26 -1.00 -0.69 1.57 1.08 0.12 0.34 115.11 117.79 1pnx h GLN 139 Ca 0.36 0.07 0.08 0.00 -1.45 0.00 0.00 58.65 57.70 1pnx h GLN 139 Cb -0.11 0.23 -0.10 0.00 -0.05 0.00 0.00 27.48 27.44 1pnx h GLN 139 CO -0.09 -0.65 -0.54 0.00 -0.95 0.00 0.00 178.83 176.61 1pnx h ARG 140 N -1.17 -0.19 -0.58 1.46 3.08 -0.26 2.93 114.38 119.66 1pnx h ARG 140 Ca -0.11 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.03 1pnx h ARG 140 Cb 0.81 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.84 1pnx h ARG 140 CO 0.17 -0.13 0.25 0.28 -1.07 0.00 0.00 179.97 179.48 1pnx h VAL 141 N -0.20 0.86 0.00 2.04 2.07 -1.17 -1.32 116.25 118.54 1pnx h VAL 141 Ca 0.14 -0.16 -0.14 0.00 0.82 0.00 0.00 66.70 67.36 1pnx h VAL 141 Cb 0.52 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1pnx h VAL 141 CO -0.76 0.09 -0.67 -0.03 0.02 0.00 0.00 177.57 176.21 1pnx h MET 142 N 0.47 0.00 -0.00 1.57 -1.53 0.18 -3.16 114.93 112.46 1pnx h MET 142 Ca 0.28 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.54 1pnx h MET 142 Cb 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.32 1pnx h MET 142 CO -0.24 0.67 -0.00 -1.91 0.14 0.00 0.00 176.91 175.57 1pnx n GLU 143 N -3.72 1.18 -3.21 0.39 2.13 0.96 -4.14 120.64 114.22 1pnx n GLU 143 Ca -0.01 -0.28 -0.24 0.00 0.66 0.00 0.00 57.16 57.29 1pnx n GLU 143 Cb 0.66 -1.49 -0.06 0.00 0.27 0.00 0.00 31.44 30.81 1pnx n GLU 143 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1pnx n SER 144 N -0.66 0.88 0.00 4.31 3.41 -0.66 -5.00 113.62 115.89 1pnx n SER 144 Ca 0.22 -2.87 0.00 0.00 -0.26 0.00 0.00 58.87 55.96 1pnx n SER 144 Cb 0.19 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 1pnx n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pnx n GLY 145 N 1.12 0.65 1.81 5.00 0.00 -1.26 -4.87 105.19 107.64 1pnx n GLY 145 Ca 0.23 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1pnx n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pnx n ALA 146 N 3.65 -1.77 0.95 4.61 0.00 -1.26 -4.63 120.51 122.07 1pnx n ALA 146 Ca 0.00 0.38 0.12 0.00 0.00 0.00 0.00 53.44 53.94 1pnx n ALA 146 Cb 0.00 -1.27 0.31 0.00 0.00 0.00 0.00 19.45 18.49 1pnx n ALA 146 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pnx n LYS 147 N 0.37 2.04 0.00 0.00 5.02 -0.39 -4.91 118.16 120.30 1pnx n LYS 147 Ca 0.00 -1.56 0.00 0.00 -2.02 0.00 0.00 58.31 54.73 1pnx n LYS 147 Cb 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 1pnx n LYS 147 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pnx n GLY 148 N 1.28 1.84 3.57 0.72 0.00 -1.18 -2.89 105.19 108.53 1pnx n GLY 148 Ca 0.17 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 1pnx n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pnx s ALA 149 N -1.89 -0.79 -0.29 4.61 0.00 -0.38 0.11 121.76 123.13 1pnx s ALA 149 Ca 0.00 -0.39 -0.22 0.00 0.00 0.00 0.00 51.96 51.35 1pnx s ALA 149 Cb 0.00 0.89 0.13 0.00 0.00 0.00 0.00 23.12 24.15 1pnx s ALA 149 CO 0.00 -0.84 1.04 0.21 0.00 0.00 0.00 175.76 176.18 1pnx s LYS 150 N -3.91 0.43 0.09 0.00 2.20 -0.01 -1.36 119.74 117.18 1pnx s LYS 150 Ca 0.12 0.58 0.08 0.00 -0.36 0.00 0.00 55.97 56.39 1pnx s LYS 150 Cb -0.01 0.17 -0.03 0.00 -1.51 0.00 0.00 37.83 36.45 1pnx s LYS 150 CO 0.01 -0.06 -0.20 0.08 -0.36 0.00 0.00 175.35 174.81 1pnx s VAL 151 N 0.58 1.65 -0.04 4.02 1.01 -0.41 -0.55 120.40 126.67 1pnx s VAL 151 Ca -0.00 -1.47 -0.00 0.00 0.00 0.00 0.00 61.98 60.50 1pnx s VAL 151 Cb -0.05 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.86 1pnx s VAL 151 CO -0.10 -0.04 0.02 -0.63 0.00 0.00 0.00 175.10 174.36 1pnx s ILE 152 N -1.12 0.09 -0.07 2.22 1.01 0.48 -3.78 121.20 120.04 1pnx s ILE 152 Ca 0.06 0.20 -0.00 0.00 0.00 0.00 0.00 60.65 60.91 1pnx s ILE 152 Cb -0.10 -0.24 -0.03 0.00 0.01 0.00 0.00 42.46 42.10 1pnx s ILE 152 CO 0.04 0.16 -0.04 -0.69 0.00 0.00 0.00 174.94 174.41 1pnx s VAL 153 N 1.43 3.97 0.00 2.92 1.01 -0.83 0.02 120.40 128.93 1pnx s VAL 153 Ca -0.04 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1pnx s VAL 153 Cb -0.13 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1pnx s VAL 153 CO -0.03 0.57 0.00 -1.54 0.00 0.00 0.00 175.10 174.11 1pnx n SER 154 N 2.08 0.00 -4.02 3.32 3.41 0.25 -1.86 113.62 116.80 1pnx n SER 154 Ca -0.18 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.36 1pnx n SER 154 Cb 0.53 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.39 1pnx n SER 154 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1pnx s GLY 155 N 0.00 0.37 0.00 5.00 0.00 -1.17 -2.95 107.32 108.58 1pnx s GLY 155 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.68 1pnx s GLY 155 CO 0.00 -1.17 0.00 0.54 0.00 0.00 0.00 173.10 172.47 1pnx n ARG 156 N 0.05 0.00 -1.67 2.90 1.74 -1.26 -4.69 116.66 113.73 1pnx n ARG 156 Ca -0.14 0.00 -0.51 0.00 -0.77 0.00 0.00 57.85 56.43 1pnx n ARG 156 Cb 0.61 -0.74 -0.06 0.00 -1.02 0.00 0.00 32.46 31.26 1pnx n ARG 156 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1pnx n ILE 157 N -1.33 0.28 -1.16 0.55 5.41 -1.26 0.29 119.36 122.13 1pnx n ILE 157 Ca 0.00 -0.05 -0.05 0.00 1.00 0.00 0.00 62.75 63.65 1pnx n ILE 157 Cb 0.12 -1.42 -0.02 0.00 -0.71 0.00 0.00 39.64 37.60 1pnx n ILE 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pnx n GLY 158 N 3.79 0.76 2.40 7.39 0.00 -1.26 -2.37 105.19 115.90 1pnx n GLY 158 Ca 0.22 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1pnx n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pnx n GLY 159 N -1.61 0.54 3.66 -0.02 0.00 0.14 -4.98 105.19 102.93 1pnx n GLY 159 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 1pnx n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pnx n ALA 160 N 1.00 0.84 0.26 4.61 0.00 -1.00 -4.88 120.51 121.35 1pnx n ALA 160 Ca 0.00 0.38 0.13 0.00 0.00 0.00 0.00 53.44 53.95 1pnx n ALA 160 Cb 0.05 -2.19 0.79 0.00 0.00 0.00 0.00 19.45 18.10 1pnx n ALA 160 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1pnx h GLU 161 N 2.68 0.00 -4.90 0.00 4.81 -1.93 -3.39 114.58 111.85 1pnx h GLU 161 Ca -0.44 0.00 -0.65 0.00 -0.13 0.00 0.00 59.36 58.14 1pnx h GLU 161 Cb 1.30 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.48 1pnx h GLU 161 CO 0.64 0.00 -0.56 -0.65 -0.73 0.00 0.00 179.01 177.71 1pnx s GLN 162 N -4.82 3.78 0.18 1.92 -1.52 -1.26 -5.02 119.66 112.92 1pnx s GLN 162 Ca -0.05 -0.42 -0.32 0.00 -1.95 0.00 0.00 55.36 52.63 1pnx s GLN 162 Cb 0.16 -3.54 -0.11 0.00 -0.22 0.00 0.00 33.01 29.31 1pnx s GLN 162 CO 0.60 -0.21 1.61 0.00 -0.25 0.00 0.00 175.29 177.04 1pnx s ALA 163 N 1.70 3.82 0.00 6.09 0.00 -1.26 -4.27 121.76 127.83 1pnx s ALA 163 Ca 0.07 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.46 1pnx s ALA 163 Cb -0.16 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1pnx s ALA 163 CO 0.08 -0.82 0.00 0.54 0.00 0.00 0.00 175.76 175.56 1pnx n ARG 164 N 3.90 3.89 -3.40 0.00 1.74 -1.26 -4.70 116.66 116.84 1pnx n ARG 164 Ca 0.14 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.24 1pnx n ARG 164 Cb 0.38 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.79 1pnx n ARG 164 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1pnx s THR 165 N 1.35 -0.83 0.04 0.55 2.01 -1.15 -3.03 115.64 114.58 1pnx s THR 165 Ca 0.00 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 1pnx s THR 165 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1pnx s THR 165 CO 0.00 0.00 0.23 -0.70 -0.69 0.00 0.00 174.62 173.46 1pnx s GLU 166 N 2.80 3.49 0.00 4.92 2.56 -0.78 -4.96 118.70 126.73 1pnx s GLU 166 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 54.97 54.72 1pnx s GLU 166 Cb -0.12 -3.04 0.00 0.00 2.00 0.00 0.00 34.13 32.97 1pnx s GLU 166 CO -0.18 0.62 0.00 0.91 -0.56 0.00 0.00 175.26 176.05 1pnx n TRP 167 N 0.64 0.00 0.00 5.30 7.02 -1.26 -1.97 117.44 127.17 1pnx n TRP 167 Ca -0.08 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.40 1pnx n TRP 167 Cb 0.52 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.41 1pnx n TRP 167 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1pnx n ALA 168 N -3.00 0.00 -3.53 6.99 0.00 -1.25 -4.33 120.51 115.39 1pnx n ALA 168 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1pnx n ALA 168 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1pnx n ALA 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pnx s ALA 169 N 0.00 -1.81 -0.03 0.00 0.00 -1.26 -1.29 121.76 117.37 1pnx s ALA 169 Ca 0.00 1.34 -0.08 0.00 0.00 0.00 0.00 51.96 53.22 1pnx s ALA 169 Cb 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.99 1pnx s ALA 169 CO 0.00 -0.39 0.19 -0.65 0.00 0.00 0.00 175.76 174.91 1pnx s GLN 170 N -1.38 0.42 0.54 0.00 -0.21 -0.46 -5.00 119.66 113.56 1pnx s GLN 170 Ca -0.07 -0.11 0.00 0.00 0.02 0.00 0.00 55.36 55.20 1pnx s GLN 170 Cb -0.00 0.18 0.00 0.00 1.00 0.00 0.00 33.01 34.19 1pnx s GLN 170 CO 0.06 -0.09 0.00 0.41 -2.12 0.00 0.00 175.29 173.54 1pnx n GLY 171 N 2.01 -2.87 3.60 3.09 0.00 -1.26 -1.25 105.19 108.51 1pnx n GLY 171 Ca -0.19 -1.05 -0.48 0.00 0.00 0.00 0.00 46.02 44.31 1pnx n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pnx n ARG 172 N -4.34 1.39 -2.76 1.61 1.74 -1.14 -4.43 116.66 108.73 1pnx n ARG 172 Ca -0.06 0.50 -0.10 0.00 -0.77 0.00 0.00 57.85 57.42 1pnx n ARG 172 Cb 0.69 -2.04 0.05 0.00 -1.02 0.00 0.00 32.46 30.14 1pnx n ARG 172 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1pnx n VAL 173 N 1.63 0.42 -1.55 1.55 0.31 -1.26 -3.77 118.33 115.67 1pnx n VAL 173 Ca 0.14 -2.69 -0.14 0.00 -0.01 0.00 0.00 64.34 61.64 1pnx n VAL 173 Cb 0.26 0.70 -0.09 0.00 -0.91 0.00 0.00 33.84 33.80 1pnx n VAL 173 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1pnx n PRO 174 N -0.12 0.41 0.25 5.55 -0.04 -1.26 -4.82 135.00 134.98 1pnx n PRO 174 Ca 0.08 -0.93 0.11 0.00 -0.04 0.00 0.00 63.50 62.72 1pnx n PRO 174 Cb 0.79 -3.47 0.66 0.00 -0.04 0.00 0.00 33.50 31.44 1pnx n PRO 174 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1pnx h LEU 175 N 21.42 0.00 -0.04 1.53 3.38 -2.03 -2.94 115.31 136.64 1pnx h LEU 175 Ca 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 1pnx h LEU 175 Cb 1.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.77 1pnx h LEU 175 CO 1.05 0.15 -1.08 0.45 0.09 0.00 0.00 178.44 179.10 1pnx h HIS 176 N 0.00 0.66 -2.41 1.13 3.86 -2.03 -3.44 115.15 112.92 1pnx h HIS 176 Ca -0.00 -0.40 -0.57 0.00 -1.16 0.00 0.00 60.37 58.24 1pnx h HIS 176 Cb 0.41 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 1pnx h HIS 176 CO 0.00 1.25 1.31 -0.08 0.86 0.00 0.00 177.93 181.27 1pnx s THR 177 N -3.04 3.30 -1.32 2.45 -1.32 -1.11 -4.87 115.64 109.73 1pnx s THR 177 Ca -0.06 0.32 -0.17 0.00 -1.21 0.00 0.00 61.69 60.58 1pnx s THR 177 Cb 0.08 -3.35 0.08 0.00 -1.51 0.00 0.00 72.50 67.80 1pnx s THR 177 CO 0.88 -0.18 1.81 -0.11 -2.21 0.00 0.00 174.62 174.81 1pnx n LEU 178 N 9.98 5.39 0.00 9.08 7.94 -1.26 -2.56 117.00 145.57 1pnx n LEU 178 Ca 0.24 -4.04 0.00 0.00 -1.11 0.00 0.00 56.01 51.10 1pnx n LEU 178 Cb 0.45 -1.71 0.00 0.00 0.53 0.00 0.00 43.42 42.69 1pnx n LEU 178 CO 0.67 0.43 0.00 -1.14 -1.11 0.00 0.00 177.39 176.24 1pnx n ARG 179 N 7.53 0.00 0.45 1.96 0.00 -1.26 -5.04 116.66 120.30 1pnx n ARG 179 Ca 0.48 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 58.14 1pnx n ARG 179 Cb 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.80 1pnx n ARG 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pnx h ALA 180 N 0.00 -1.16 -1.76 5.13 0.00 -1.73 -3.37 119.26 116.37 1pnx h ALA 180 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1pnx h ALA 180 Cb 0.00 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1pnx h ALA 180 CO 0.00 -1.16 0.00 -1.71 0.00 0.00 0.00 179.25 176.38 1pnx n ASN 181 N -5.59 -1.17 -4.33 0.00 5.15 -1.26 -3.78 115.26 104.28 1pnx n ASN 181 Ca -0.15 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.49 1pnx n ASN 181 Cb 0.47 -0.59 -0.14 0.00 -0.53 0.00 0.00 39.78 38.99 1pnx n ASN 181 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1pnx s ILE 182 N -1.63 3.28 -0.05 -1.44 1.01 -1.26 -2.60 121.20 118.50 1pnx s ILE 182 Ca 0.00 -0.54 -0.26 0.00 0.00 0.00 0.00 60.65 59.85 1pnx s ILE 182 Cb 0.00 -2.46 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 1pnx s ILE 182 CO 0.00 0.46 0.82 -0.62 0.00 0.00 0.00 174.94 175.59 1pnx s ASP 183 N 1.15 7.12 -0.08 3.58 3.68 0.12 -4.73 116.67 127.51 1pnx s ASP 183 Ca 0.02 1.36 -0.01 0.00 2.13 0.00 0.00 52.55 56.05 1pnx s ASP 183 Cb -0.14 -2.47 -0.03 0.00 -1.45 0.00 0.00 42.92 38.82 1pnx s ASP 183 CO -0.02 -0.20 -0.04 -0.47 0.13 0.00 0.00 175.17 174.58 1pnx s TYR 184 N 1.04 3.04 -0.12 -5.34 5.04 -1.26 -0.96 117.35 118.78 1pnx s TYR 184 Ca 0.43 0.08 -0.07 0.00 -2.44 0.00 0.00 57.07 55.07 1pnx s TYR 184 Cb -0.19 -1.76 0.05 0.00 0.35 0.00 0.00 41.96 40.41 1pnx s TYR 184 CO 0.21 0.37 0.29 0.20 -1.34 0.00 0.00 175.55 175.29 1pnx s GLY 185 N -0.78 -0.20 -0.04 8.97 0.00 0.13 -4.37 107.32 111.02 1pnx s GLY 185 Ca 0.12 1.09 0.06 0.00 0.00 0.00 0.00 44.72 45.99 1pnx s GLY 185 CO 0.02 1.24 -0.24 -0.12 0.00 0.00 0.00 173.10 174.00 1pnx s PHE 186 N 1.06 2.44 -0.03 1.90 5.36 -1.26 0.21 117.98 127.66 1pnx s PHE 186 Ca -0.07 -0.52 0.02 0.00 -0.96 0.00 0.00 56.93 55.40 1pnx s PHE 186 Cb -0.08 -1.57 0.00 0.00 -0.34 0.00 0.00 43.02 41.03 1pnx s PHE 186 CO -0.08 -0.09 -0.09 0.00 -1.46 0.00 0.00 175.22 173.50 1pnx s ALA 187 N -0.41 0.92 0.77 11.12 0.00 0.12 -4.82 121.76 129.45 1pnx s ALA 187 Ca 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1pnx s ALA 187 Cb -0.12 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.65 1pnx s ALA 187 CO 0.01 0.14 0.00 -0.11 0.00 0.00 0.00 175.76 175.80 1pnx n LEU 188 N 3.36 0.00 0.00 0.00 -0.00 -1.26 0.17 117.00 119.27 1pnx n LEU 188 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.82 1pnx n LEU 188 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.96 1pnx n LEU 188 CO 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.64 1pnx n ALA 189 N -3.00 0.00 -1.60 1.96 0.00 -1.25 -4.41 120.51 112.21 1pnx n ALA 189 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1pnx n ALA 189 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 1pnx n ALA 189 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pnx n ARG 190 N 0.00 1.12 -3.59 0.00 1.74 -1.26 -3.28 116.66 111.39 1pnx n ARG 190 Ca 0.00 0.41 -0.11 0.00 -0.77 0.00 0.00 57.85 57.38 1pnx n ARG 190 Cb 0.00 -2.04 -0.04 0.00 -1.02 0.00 0.00 32.46 29.36 1pnx n ARG 190 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1pnx s THR 191 N -1.40 0.06 0.31 0.55 2.01 -1.20 -4.85 115.64 111.11 1pnx s THR 191 Ca 0.67 -0.46 0.07 0.00 0.31 0.00 0.00 61.69 62.29 1pnx s THR 191 Cb -0.50 -1.12 0.30 0.00 0.01 0.00 0.00 72.50 71.19 1pnx s THR 191 CO 0.54 -0.25 1.73 0.74 -0.69 0.00 0.00 174.62 176.68 1pnx h THR 192 N 2.34 0.55 0.00 -0.82 2.02 -1.95 -0.76 112.91 114.29 1pnx h THR 192 Ca -0.34 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1pnx h THR 192 Cb 1.26 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1pnx h THR 192 CO 0.45 0.10 -1.11 0.00 0.37 0.00 0.00 175.52 175.33 1pnx n TYR 193 N -4.91 0.16 0.00 3.16 0.18 -1.26 -5.07 117.16 109.41 1pnx n TYR 193 Ca 0.25 0.05 0.00 0.00 1.88 0.00 0.00 57.90 60.07 1pnx n TYR 193 Cb 0.69 -0.33 0.00 0.00 -0.38 0.00 0.00 39.34 39.32 1pnx n TYR 193 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1pnx n GLY 194 N 1.39 3.10 3.77 -7.48 0.00 -0.29 -5.11 105.19 100.57 1pnx n GLY 194 Ca 0.02 -1.63 -0.39 0.00 0.00 0.00 0.00 46.02 44.02 1pnx n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pnx s VAL 195 N -2.00 2.74 -0.22 1.61 1.01 -1.26 -3.25 120.40 119.03 1pnx s VAL 195 Ca 0.00 0.64 -0.04 0.00 0.00 0.00 0.00 61.98 62.58 1pnx s VAL 195 Cb 0.00 -3.37 0.09 0.00 0.00 0.00 0.00 36.38 33.11 1pnx s VAL 195 CO 0.00 0.08 0.18 -0.76 0.00 0.00 0.00 175.10 174.60 1pnx s LEU 196 N -2.53 0.10 0.53 3.92 1.43 -1.20 -4.83 118.68 116.10 1pnx s LEU 196 Ca 0.58 -0.59 -0.20 0.00 -1.03 0.00 0.00 54.13 52.89 1pnx s LEU 196 Cb -0.36 0.11 -0.06 0.00 0.03 0.00 0.00 46.19 45.92 1pnx s LEU 196 CO 0.46 -0.36 1.15 -0.83 0.23 0.00 0.00 176.35 177.00 1pnx s GLY 197 N 2.24 2.69 -0.09 -3.19 0.00 -1.26 -3.78 107.32 103.93 1pnx s GLY 197 Ca 0.06 0.89 0.01 0.00 0.00 0.00 0.00 44.72 45.68 1pnx s GLY 197 CO -0.19 1.27 -0.12 0.14 0.00 0.00 0.00 173.10 174.20 1pnx s VAL 198 N -1.69 1.26 -0.11 1.40 1.01 0.45 -0.58 120.40 122.15 1pnx s VAL 198 Ca 0.72 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 62.21 1pnx s VAL 198 Cb -0.26 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1pnx s VAL 198 CO 0.30 0.39 -0.18 -0.54 0.00 0.00 0.00 175.10 175.08 1pnx s LYS 199 N 1.01 3.14 -0.10 2.72 1.02 0.10 0.13 119.74 127.77 1pnx s LYS 199 Ca -0.07 -0.76 0.04 0.00 0.02 0.00 0.00 55.97 55.19 1pnx s LYS 199 Cb -0.15 -2.47 -0.00 0.00 -0.52 0.00 0.00 37.83 34.69 1pnx s LYS 199 CO -0.01 0.25 -0.23 0.00 -0.92 0.00 0.00 175.35 174.44 1pnx s ALA 200 N 0.21 2.20 -0.14 5.17 0.00 0.13 -0.39 121.76 128.95 1pnx s ALA 200 Ca -0.11 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.88 1pnx s ALA 200 Cb -0.16 -0.82 0.02 0.00 0.00 0.00 0.00 23.12 22.16 1pnx s ALA 200 CO 0.06 0.31 -0.15 0.71 0.00 0.00 0.00 175.76 176.68 1pnx s TYR 201 N 0.26 2.17 -0.07 0.00 1.51 0.29 -0.70 117.35 120.81 1pnx s TYR 201 Ca -0.16 -1.15 0.03 0.00 -1.01 0.00 0.00 57.07 54.78 1pnx s TYR 201 Cb -0.17 -1.57 0.01 0.00 -0.11 0.00 0.00 41.96 40.11 1pnx s TYR 201 CO 0.08 -0.61 -0.16 0.42 -1.11 0.00 0.00 175.55 174.17 1pnx s ILE 202 N 1.26 1.46 -0.15 2.71 1.01 -0.14 -0.83 121.20 126.53 1pnx s ILE 202 Ca 0.00 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 59.92 1pnx s ILE 202 Cb -0.14 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 1pnx s ILE 202 CO -0.07 0.43 0.06 0.12 0.00 0.00 0.00 174.94 175.48 1pnx s PHE 203 N 0.50 3.29 -0.00 3.97 5.36 0.29 0.15 117.98 131.54 1pnx s PHE 203 Ca -0.15 0.18 0.02 0.00 -0.96 0.00 0.00 56.93 56.02 1pnx s PHE 203 Cb -0.16 -1.98 -0.00 0.00 -0.34 0.00 0.00 43.02 40.53 1pnx s PHE 203 CO 0.05 0.34 -0.05 -0.51 -1.46 0.00 0.00 175.22 173.59 1pnx s LEU 204 N -0.20 2.02 0.00 6.12 1.43 -1.07 -1.26 118.68 125.71 1pnx s LEU 204 Ca 0.08 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1pnx s LEU 204 Cb -0.12 -0.26 0.00 0.00 0.03 0.00 0.00 46.19 45.84 1pnx s LEU 204 CO 0.01 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.26 1pnx n GLY 205 N 2.92 1.29 0.00 -3.19 0.00 -1.26 -4.61 105.19 100.33 1pnx n GLY 205 Ca -0.13 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1pnx n GLY 205 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pnx n GLU 206 N 11.09 0.00 0.00 1.61 2.13 -1.25 -4.89 120.64 129.33 1pnx n GLU 206 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1pnx n GLU 206 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1pnx n GLU 206 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00