#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pj3 n LYS 22 N 0.00 2.93 -4.40 0.38 2.85 -1.26 -4.90 118.16 113.76 1pj3 n LYS 22 Ca 0.00 -1.99 -0.20 0.00 -1.05 0.00 0.00 58.31 55.07 1pj3 n LYS 22 Cb 0.00 -1.91 -0.14 0.00 -0.65 0.00 0.00 35.03 32.33 1pj3 n LYS 22 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1pj3 s GLU 23 N -2.12 0.91 0.14 -1.58 2.56 -1.26 -5.15 118.70 112.20 1pj3 s GLU 23 Ca 0.35 -0.62 0.00 0.00 0.00 0.00 0.00 54.97 54.71 1pj3 s GLU 23 Cb 0.28 -0.89 -0.04 0.00 2.00 0.00 0.00 34.13 35.48 1pj3 s GLU 23 CO 0.09 0.23 0.01 -1.59 -0.56 0.00 0.00 175.26 173.44 1pj3 s LYS 24 N -0.81 0.96 1.33 4.30 -2.85 -1.26 -4.86 119.74 116.55 1pj3 s LYS 24 Ca 0.02 -1.45 0.00 0.00 -1.00 0.00 0.00 55.97 53.54 1pj3 s LYS 24 Cb -0.07 -0.03 0.00 0.00 -2.06 0.00 0.00 37.83 35.67 1pj3 s LYS 24 CO 0.01 -0.16 0.00 0.41 0.10 0.00 0.00 175.35 175.70 1pj3 n GLY 25 N -0.13 -1.78 0.36 0.59 0.00 0.33 -4.26 105.19 100.31 1pj3 n GLY 25 Ca -0.07 -1.46 0.24 0.00 0.00 0.00 0.00 46.02 44.73 1pj3 n GLY 25 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1pj3 h LYS 26 N 0.00 0.33 -0.43 1.61 1.63 -1.88 0.06 116.57 117.89 1pj3 h LYS 26 Ca 0.00 -0.02 0.13 0.00 -0.85 0.00 0.00 60.65 59.91 1pj3 h LYS 26 Cb 0.00 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.54 1pj3 h LYS 26 CO 0.00 0.22 0.39 -1.35 -3.45 0.00 0.00 179.45 175.26 1pj3 h PRO 27 N 0.35 0.00 -0.99 1.90 0.11 -1.99 -1.04 132.00 130.34 1pj3 h PRO 27 Ca 0.71 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.82 1pj3 h PRO 27 Cb 1.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.80 1pj3 h PRO 27 CO -0.52 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.55 1pj3 n LEU 28 N -3.98 0.86 0.00 2.35 4.77 0.00 -1.81 117.00 119.20 1pj3 n LEU 28 Ca 0.08 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1pj3 n LEU 28 Cb 0.58 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1pj3 n LEU 28 CO 0.31 0.16 0.00 0.18 -1.33 0.00 0.00 177.39 176.71 1pj3 n LEU 30 N 0.53 0.00 -4.62 2.23 4.77 -0.40 -2.12 117.00 117.39 1pj3 n LEU 30 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 1pj3 n LEU 30 Cb 0.16 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 1pj3 n LEU 30 CO 0.00 0.00 0.42 0.21 -1.33 0.00 0.00 177.39 176.69 1pj3 s ASN 31 N 0.00 6.57 0.62 -1.43 3.84 -0.75 -4.93 114.94 118.86 1pj3 s ASN 31 Ca 0.00 0.63 0.39 0.00 0.21 0.00 0.00 52.86 54.09 1pj3 s ASN 31 Cb 0.00 -2.35 2.06 0.00 -0.55 0.00 0.00 41.25 40.42 1pj3 s ASN 31 CO 0.00 -0.44 2.25 1.55 -2.79 0.00 0.00 177.10 177.68 1pj3 h PRO 32 N 8.00 0.00 -0.27 0.43 0.13 -1.79 -0.87 132.00 137.63 1pj3 h PRO 32 Ca -0.26 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.77 1pj3 h PRO 32 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1pj3 h PRO 32 CO 0.80 0.01 -0.22 -0.09 -0.23 0.00 0.00 178.00 178.26 1pj3 h ARG 33 N 0.00 0.51 0.00 0.86 9.65 -1.89 -0.43 114.38 123.09 1pj3 h ARG 33 Ca -0.00 -0.19 -0.08 0.00 -1.10 0.00 0.00 59.98 58.61 1pj3 h ARG 33 Cb 0.14 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.67 1pj3 h ARG 33 CO 0.00 0.71 -1.77 0.25 2.80 0.00 0.00 179.97 181.96 1pj3 n THR 34 N -4.13 0.30 -1.69 0.20 -2.24 -0.91 -4.79 114.28 101.01 1pj3 n THR 34 Ca -0.00 -0.42 -0.43 0.00 -2.27 0.00 0.00 64.05 60.93 1pj3 n THR 34 Cb 0.39 -0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.50 1pj3 n THR 34 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1pj3 n ASN 35 N -2.17 3.95 -0.32 3.42 5.15 -0.38 -4.88 115.26 120.03 1pj3 n ASN 35 Ca -0.09 0.99 0.05 0.00 -0.60 0.00 0.00 54.58 54.93 1pj3 n ASN 35 Cb 0.57 -1.53 0.02 0.00 -0.53 0.00 0.00 39.78 38.31 1pj3 n ASN 35 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1pj3 n LYS 36 N 5.65 1.15 0.00 1.20 5.02 -1.26 -4.57 118.16 125.35 1pj3 n LYS 36 Ca 0.18 -0.87 0.00 0.00 -2.02 0.00 0.00 58.31 55.60 1pj3 n LYS 36 Cb 0.36 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 1pj3 n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pj3 n GLY 37 N 0.70 0.05 4.02 0.72 0.00 -1.26 -4.14 105.19 105.27 1pj3 n GLY 37 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1pj3 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pj3 n ALA 39 N 0.00 0.00 -1.87 4.61 0.00 -1.25 -4.96 120.51 117.04 1pj3 n ALA 39 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1pj3 n ALA 39 Cb 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 1pj3 n ALA 39 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1pj3 s PHE 40 N -0.59 2.72 0.92 0.00 0.40 -1.26 -4.81 117.98 115.36 1pj3 s PHE 40 Ca 0.00 0.40 -0.11 0.00 -0.60 0.00 0.00 56.93 56.61 1pj3 s PHE 40 Cb 0.00 -4.01 0.14 0.00 0.51 0.00 0.00 43.02 39.66 1pj3 s PHE 40 CO 0.00 -3.90 1.09 0.95 0.70 0.00 0.00 175.22 174.06 1pj3 s THR 41 N 1.80 2.56 0.16 0.64 -4.23 -1.26 -4.80 115.64 110.51 1pj3 s THR 41 Ca 0.73 0.18 -0.15 0.00 -1.18 0.00 0.00 61.69 61.27 1pj3 s THR 41 Cb -0.44 -2.59 0.03 0.00 1.34 0.00 0.00 72.50 70.84 1pj3 s THR 41 CO 0.32 -0.24 1.80 0.25 -0.54 0.00 0.00 174.62 176.22 1pj3 h LEU 42 N -1.67 0.53 -0.76 4.79 5.85 -1.99 -1.09 115.31 120.99 1pj3 h LEU 42 Ca -0.50 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.17 1pj3 h LEU 42 Cb 1.29 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 1pj3 h LEU 42 CO 0.53 0.41 0.43 -0.61 -0.34 0.00 0.00 178.44 178.86 1pj3 h GLN 43 N 0.60 1.04 -0.58 1.25 4.15 -1.99 -1.17 115.11 118.41 1pj3 h GLN 43 Ca 0.16 -0.11 -0.07 0.00 0.77 0.00 0.00 58.65 59.40 1pj3 h GLN 43 Cb -0.03 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.43 1pj3 h GLN 43 CO -0.03 0.76 0.10 0.93 -1.93 0.00 0.00 178.83 178.67 1pj3 h GLU 44 N 1.04 0.95 -0.57 1.69 5.08 -1.84 -3.08 114.58 117.86 1pj3 h GLU 44 Ca 0.27 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1pj3 h GLU 44 Cb 0.01 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1pj3 h GLU 44 CO -0.05 0.90 0.24 0.00 -1.00 0.00 0.00 179.01 179.11 1pj3 h ARG 45 N 0.85 0.84 -0.87 2.33 3.08 -0.74 0.14 114.38 120.02 1pj3 h ARG 45 Ca 0.18 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1pj3 h ARG 45 Cb 0.40 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1pj3 h ARG 45 CO 0.01 0.71 0.00 1.04 -1.07 0.00 0.00 179.97 180.66 1pj3 n GLN 46 N -4.51 0.54 0.00 0.04 6.02 -0.48 -0.29 117.38 118.69 1pj3 n GLN 46 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1pj3 n GLN 46 Cb 0.15 -1.26 0.00 0.00 1.02 0.00 0.00 30.24 30.16 1pj3 n GLN 46 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1pj3 n LEU 48 N 0.41 0.00 -2.34 1.08 4.77 0.50 -4.74 117.00 116.68 1pj3 n LEU 48 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 1pj3 n LEU 48 Cb 0.18 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.31 1pj3 n LEU 48 CO 0.00 0.00 0.11 0.61 -1.33 0.00 0.00 177.39 176.78 1pj3 n GLY 49 N 0.00 -0.03 0.00 -0.72 0.00 -1.02 -0.51 105.19 102.91 1pj3 n GLY 49 Ca 0.00 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 45.96 1pj3 n GLY 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pj3 n LEU 50 N -3.17 0.48 -4.67 0.99 4.77 0.60 -4.39 117.00 111.61 1pj3 n LEU 50 Ca -0.02 -0.47 -0.50 0.00 -0.03 0.00 0.00 56.01 54.99 1pj3 n LEU 50 Cb 0.55 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.59 1pj3 n LEU 50 CO 0.38 0.12 1.30 0.00 -1.33 0.00 0.00 177.39 177.86 1pj3 n GLN 51 N -1.30 1.79 0.00 3.23 1.13 -0.92 -0.59 117.38 120.73 1pj3 n GLN 51 Ca 0.02 0.65 0.00 0.00 -1.94 0.00 0.00 57.00 55.73 1pj3 n GLN 51 Cb 0.18 -2.41 0.00 0.00 0.11 0.00 0.00 30.24 28.11 1pj3 n GLN 51 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1pj3 n GLY 52 N 3.87 3.22 0.02 1.08 0.00 -1.26 -4.84 105.19 107.29 1pj3 n GLY 52 Ca 0.22 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.37 1pj3 n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pj3 n LEU 53 N 0.00 0.37 -4.32 0.99 4.77 0.24 -4.83 117.00 114.22 1pj3 n LEU 53 Ca 0.00 0.31 -0.23 0.00 -0.03 0.00 0.00 56.01 56.05 1pj3 n LEU 53 Cb 0.00 -0.35 -0.12 0.00 -2.33 0.00 0.00 43.42 40.62 1pj3 n LEU 53 CO 0.00 0.01 -0.50 -0.76 -1.33 0.00 0.00 177.39 174.81 1pj3 s LEU 54 N -3.38 2.38 0.78 2.23 1.43 -1.23 -5.13 118.68 115.76 1pj3 s LEU 54 Ca 0.11 -0.79 -0.14 0.00 -1.03 0.00 0.00 54.13 52.29 1pj3 s LEU 54 Cb 0.17 -0.89 0.07 0.00 0.03 0.00 0.00 46.19 45.57 1pj3 s LEU 54 CO 0.62 0.02 1.22 -2.84 0.23 0.00 0.00 176.35 175.61 1pj3 s PRO 55 N -2.41 1.76 0.55 1.29 0.02 -1.26 -4.86 135.00 130.09 1pj3 s PRO 55 Ca 0.12 1.81 0.27 0.00 0.02 0.00 0.00 61.00 63.23 1pj3 s PRO 55 Cb -0.08 -1.78 1.45 0.00 0.02 0.00 0.00 34.50 34.11 1pj3 s PRO 55 CO 0.06 -2.14 1.98 -1.35 -0.33 0.00 0.00 177.00 175.22 1pj3 h PRO 56 N -0.69 0.00 -6.67 5.54 0.11 -2.00 -3.43 132.00 124.86 1pj3 h PRO 56 Ca -0.47 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.11 1pj3 h PRO 56 Cb 1.30 0.00 0.05 0.00 0.11 0.00 0.00 31.00 32.46 1pj3 h PRO 56 CO 0.47 0.00 0.82 0.21 -0.21 0.00 0.00 178.00 179.29 1pj3 s LYS 57 N -4.89 4.24 -0.25 1.05 2.47 -1.26 -5.01 119.74 116.08 1pj3 s LYS 57 Ca -0.05 2.33 -0.07 0.00 -1.56 0.00 0.00 55.97 56.62 1pj3 s LYS 57 Cb 0.19 -3.14 -0.02 0.00 -1.46 0.00 0.00 37.83 33.40 1pj3 s LYS 57 CO 0.68 -0.53 0.07 0.42 0.16 0.00 0.00 175.35 176.15 1pj3 s ILE 58 N 0.63 4.25 0.35 5.43 1.01 -1.26 -4.86 121.20 126.75 1pj3 s ILE 58 Ca 0.65 -0.24 0.08 0.00 0.00 0.00 0.00 60.65 61.14 1pj3 s ILE 58 Cb -0.43 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 1pj3 s ILE 58 CO 0.37 0.31 0.22 -1.61 0.00 0.00 0.00 174.94 174.23 1pj3 s GLU 59 N 1.60 2.49 0.36 2.79 2.02 -1.26 -4.98 118.70 121.72 1pj3 s GLU 59 Ca 0.06 -1.49 0.08 0.00 0.02 0.00 0.00 54.97 53.64 1pj3 s GLU 59 Cb -0.15 -2.28 -0.02 0.00 0.10 0.00 0.00 34.13 31.77 1pj3 s GLU 59 CO 0.03 0.05 0.33 0.95 0.02 0.00 0.00 175.26 176.65 1pj3 s THR 60 N -2.41 3.23 0.37 3.63 -4.23 -1.26 -3.84 115.64 111.13 1pj3 s THR 60 Ca 0.40 -1.34 0.08 0.00 -1.18 0.00 0.00 61.69 59.65 1pj3 s THR 60 Cb -0.03 -3.12 0.15 0.00 1.34 0.00 0.00 72.50 70.84 1pj3 s THR 60 CO 0.25 -0.11 1.89 -0.61 -0.54 0.00 0.00 174.62 175.49 1pj3 h GLN 61 N 1.15 0.33 -0.74 3.99 4.15 -1.97 -2.60 115.11 119.42 1pj3 h GLN 61 Ca -0.43 -0.08 0.06 0.00 0.77 0.00 0.00 58.65 58.97 1pj3 h GLN 61 Cb 1.26 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.85 1pj3 h GLN 61 CO 0.58 0.44 0.44 -0.44 -1.93 0.00 0.00 178.83 177.91 1pj3 h ASP 62 N 0.31 0.67 -0.44 -0.69 3.45 -1.99 0.11 116.42 117.84 1pj3 h ASP 62 Ca 0.06 0.02 -0.07 0.00 0.43 0.00 0.00 57.03 57.48 1pj3 h ASP 62 Cb 0.38 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 39.02 1pj3 h ASP 62 CO 0.02 0.43 0.01 0.40 -1.57 0.00 0.00 179.24 178.53 1pj3 h ILE 63 N 0.80 1.26 -0.90 0.35 1.08 -1.87 -1.65 117.51 116.58 1pj3 h ILE 63 Ca 0.33 -1.02 -0.01 0.00 -0.39 0.00 0.00 64.86 63.76 1pj3 h ILE 63 Cb 0.17 1.06 -0.04 0.00 -3.07 0.00 0.00 36.82 34.93 1pj3 h ILE 63 CO -0.17 0.35 0.52 1.56 -0.69 0.00 0.00 178.15 179.72 1pj3 h GLN 64 N 0.61 1.24 -0.64 2.37 4.20 -1.20 0.08 115.11 121.77 1pj3 h GLN 64 Ca 0.12 -0.13 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 1pj3 h GLN 64 Cb 0.48 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1pj3 h GLN 64 CO 0.02 0.89 0.09 0.00 -0.67 0.00 0.00 178.83 179.16 1pj3 h ALA 65 N 1.32 0.95 -0.45 3.87 0.00 -0.54 -1.68 119.26 122.73 1pj3 h ALA 65 Ca 0.32 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1pj3 h ALA 65 Cb -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1pj3 h ALA 65 CO -0.06 0.65 0.11 1.25 0.00 0.00 0.00 179.25 181.21 1pj3 h LEU 66 N 0.98 0.69 -0.32 0.00 6.46 -0.68 -1.27 115.31 121.17 1pj3 h LEU 66 Ca 0.19 -0.23 0.06 0.00 -0.12 0.00 0.00 57.88 57.78 1pj3 h LEU 66 Cb 0.45 -0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 40.14 1pj3 h LEU 66 CO 0.01 0.74 -0.05 -0.09 -0.62 0.00 0.00 178.44 178.43 1pj3 h ARG 67 N 0.60 0.04 0.72 1.25 2.43 -0.64 -1.08 114.38 117.69 1pj3 h ARG 67 Ca 0.14 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 1pj3 h ARG 67 Cb 0.32 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1pj3 h ARG 67 CO 0.00 0.02 -0.49 0.35 -1.51 0.00 0.00 179.97 178.34 1pj3 h PHE 68 N 0.04 -1.33 -0.91 2.20 3.57 -0.90 -2.31 116.94 117.30 1pj3 h PHE 68 Ca 0.16 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.80 1pj3 h PHE 68 Cb 0.23 0.48 -0.10 0.00 2.79 0.00 0.00 35.95 39.36 1pj3 h PHE 68 CO -0.27 -0.71 0.51 0.45 -2.23 0.00 0.00 178.31 176.05 1pj3 h HIS 69 N -1.15 0.90 -0.40 0.41 3.86 -1.08 0.22 115.15 117.91 1pj3 h HIS 69 Ca -0.10 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1pj3 h HIS 69 Cb 0.94 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 29.11 1pj3 h HIS 69 CO -0.14 0.24 0.21 -0.09 0.86 0.00 0.00 177.93 179.01 1pj3 h ARG 70 N 0.71 0.41 -0.27 2.45 2.43 -1.07 -0.14 114.38 118.91 1pj3 h ARG 70 Ca 0.50 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.50 1pj3 h ARG 70 Cb 0.69 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1pj3 h ARG 70 CO -0.35 0.27 -0.42 -0.91 -1.51 0.00 0.00 179.97 177.05 1pj3 h ASN 71 N 0.42 0.69 -0.80 -3.80 2.35 -0.55 -3.12 115.58 110.77 1pj3 h ASN 71 Ca 0.17 -0.32 -0.05 0.00 -0.55 0.00 0.00 56.30 55.55 1pj3 h ASN 71 Cb 0.06 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.20 1pj3 h ASN 71 CO -0.11 1.02 0.32 0.25 -1.65 0.00 0.00 177.43 177.26 1pj3 h LEU 72 N 0.53 1.11 -1.94 1.61 5.85 -0.09 -2.68 115.31 119.70 1pj3 h LEU 72 Ca 0.04 -0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.69 1pj3 h LEU 72 Cb 0.94 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1pj3 h LEU 72 CO 0.09 0.98 0.29 0.50 -0.34 0.00 0.00 178.44 179.95 1pj3 h LYS 73 N 1.17 0.07 -3.20 1.25 1.63 -0.97 -3.45 116.57 113.06 1pj3 h LYS 73 Ca 0.27 -0.00 -0.74 0.00 -0.85 0.00 0.00 60.65 59.33 1pj3 h LYS 73 Cb 0.22 -0.02 -0.11 0.00 -0.60 0.00 0.00 32.23 31.73 1pj3 h LYS 73 CO -0.02 0.05 2.50 1.63 -3.45 0.00 0.00 179.45 180.16 1pj3 n LYS 74 N -4.44 3.87 0.04 1.90 5.02 -1.01 -5.13 118.16 118.41 1pj3 n LYS 74 Ca 0.06 -3.24 0.00 0.00 -2.02 0.00 0.00 58.31 53.11 1pj3 n LYS 74 Cb 0.43 -2.85 0.00 0.00 -0.02 0.00 0.00 35.03 32.59 1pj3 n LYS 74 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1pj3 n THR 76 N 3.02 0.12 -2.55 -0.18 -2.24 -1.26 -5.15 114.28 106.04 1pj3 n THR 76 Ca 0.53 0.04 -0.28 0.00 -2.27 0.00 0.00 64.05 62.07 1pj3 n THR 76 Cb 0.31 -0.49 -0.00 0.00 -2.10 0.00 0.00 70.33 68.04 1pj3 n THR 76 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1pj3 s SER 77 N -4.63 6.31 0.26 3.42 1.04 -1.26 -5.00 113.70 113.83 1pj3 s SER 77 Ca 0.00 1.05 -0.01 0.00 0.48 0.00 0.00 55.95 57.47 1pj3 s SER 77 Cb 0.00 -2.30 0.33 0.00 0.10 0.00 0.00 66.02 64.15 1pj3 s SER 77 CO 0.00 -0.59 1.72 -0.65 0.98 0.00 0.00 173.24 174.70 1pj3 h PRO 78 N 0.33 0.69 -0.53 4.02 0.11 -2.00 -2.76 132.00 131.85 1pj3 h PRO 78 Ca -0.46 -0.23 -0.08 0.00 0.11 0.00 0.00 66.00 65.34 1pj3 h PRO 78 Cb 1.20 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1pj3 h PRO 78 CO 0.62 0.79 0.01 1.25 -0.21 0.00 0.00 178.00 180.46 1pj3 h LEU 79 N 0.62 0.87 -0.67 2.35 5.85 -1.94 -0.08 115.31 122.32 1pj3 h LEU 79 Ca 0.11 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 1pj3 h LEU 79 Cb 0.58 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1pj3 h LEU 79 CO 0.04 0.93 0.24 -0.08 -0.34 0.00 0.00 178.44 179.22 1pj3 h GLU 80 N 0.84 1.02 -0.46 1.25 4.81 -1.92 -1.38 114.58 118.74 1pj3 h GLU 80 Ca 0.16 -0.20 -0.10 0.00 -0.13 0.00 0.00 59.36 59.09 1pj3 h GLU 80 Cb 0.49 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1pj3 h GLU 80 CO 0.02 0.87 -0.11 0.87 -0.73 0.00 0.00 179.01 179.93 1pj3 h LYS 81 N 0.96 0.83 -0.12 1.92 1.57 -1.20 -1.97 116.57 118.57 1pj3 h LYS 81 Ca 0.22 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1pj3 h LYS 81 Cb 0.25 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1pj3 h LYS 81 CO -0.01 0.91 0.07 -0.92 -0.57 0.00 0.00 179.45 178.92 1pj3 h TYR 82 N 0.75 0.16 -0.90 -1.35 3.20 -0.62 0.45 116.97 118.66 1pj3 h TYR 82 Ca 0.12 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.02 1pj3 h TYR 82 Cb 0.61 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.78 1pj3 h TYR 82 CO 0.03 0.17 0.59 0.82 -1.64 0.00 0.00 178.16 178.14 1pj3 h ILE 83 N 0.11 1.17 0.57 1.81 2.04 -1.09 -3.01 117.51 119.11 1pj3 h ILE 83 Ca 0.04 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 1pj3 h ILE 83 Cb 0.06 -0.08 0.01 0.00 -0.74 0.00 0.00 36.82 36.06 1pj3 h ILE 83 CO -0.01 0.21 -0.27 0.22 0.00 0.00 0.00 178.15 178.30 1pj3 h TYR 84 N 1.14 -0.71 0.00 1.37 3.20 -1.03 -2.29 116.97 118.65 1pj3 h TYR 84 Ca 0.35 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.21 1pj3 h TYR 84 Cb -0.01 0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.50 1pj3 h TYR 84 CO -0.00 -0.41 0.00 -0.89 -1.64 0.00 0.00 178.16 175.22 1pj3 n ILE 85 N -5.30 0.00 0.00 1.81 5.41 0.12 -2.45 119.36 118.95 1pj3 n ILE 85 Ca -0.10 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.65 1pj3 n ILE 85 Cb 0.32 -0.17 0.00 0.00 -0.71 0.00 0.00 39.64 39.08 1pj3 n ILE 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pj3 n GLY 87 N 0.62 0.00 0.23 7.39 0.00 -0.86 -3.36 105.19 109.21 1pj3 n GLY 87 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1pj3 n GLY 87 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pj3 h ILE 88 N 0.00 1.26 -0.02 -0.61 2.04 -1.76 -2.04 117.51 116.38 1pj3 h ILE 88 Ca 0.00 -1.25 0.01 0.00 1.00 0.00 0.00 64.86 64.62 1pj3 h ILE 88 Cb 0.00 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1pj3 h ILE 88 CO 0.00 0.39 0.01 -0.61 0.00 0.00 0.00 178.15 177.94 1pj3 h GLN 89 N 0.32 0.00 -0.17 2.37 4.15 -1.80 0.31 115.11 120.29 1pj3 h GLN 89 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1pj3 h GLN 89 Cb 0.65 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.34 1pj3 h GLN 89 CO 0.05 0.00 0.00 0.39 -1.93 0.00 0.00 178.83 177.34 1pj3 n GLU 90 N -4.34 1.82 0.00 1.69 -0.58 -0.78 -4.17 120.64 114.28 1pj3 n GLU 90 Ca -0.03 -1.22 0.00 0.00 -0.42 0.00 0.00 57.16 55.49 1pj3 n GLU 90 Cb 0.11 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 1pj3 n GLU 90 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1pj3 n ARG 91 N 0.45 0.00 -3.44 3.49 1.74 0.38 -4.51 116.66 114.77 1pj3 n ARG 91 Ca 0.17 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 57.00 1pj3 n ARG 91 Cb 0.37 -0.44 -0.11 0.00 -1.02 0.00 0.00 32.46 31.25 1pj3 n ARG 91 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1pj3 s ASN 92 N -5.03 2.45 0.22 0.55 3.84 0.80 -4.21 114.94 113.57 1pj3 s ASN 92 Ca 0.00 -1.73 -0.08 0.00 0.21 0.00 0.00 52.86 51.26 1pj3 s ASN 92 Cb 0.00 -0.04 0.29 0.00 -0.55 0.00 0.00 41.25 40.95 1pj3 s ASN 92 CO 0.00 -0.33 1.82 -0.08 -2.79 0.00 0.00 177.10 175.72 1pj3 h GLU 93 N 7.38 0.74 -0.35 0.43 4.81 -1.20 -0.16 114.58 126.24 1pj3 h GLU 93 Ca -0.01 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1pj3 h GLU 93 Cb 1.01 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 1pj3 h GLU 93 CO 0.28 0.49 0.22 0.87 -0.73 0.00 0.00 179.01 180.14 1pj3 h LYS 94 N 0.77 0.43 -0.24 1.92 1.79 -1.86 -1.92 116.57 117.46 1pj3 h LYS 94 Ca 0.33 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.70 1pj3 h LYS 94 Cb 0.21 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 1pj3 h LYS 94 CO -0.19 0.28 -0.19 1.25 -1.08 0.00 0.00 179.45 179.52 1pj3 h LEU 95 N 0.44 0.42 -0.15 2.94 5.85 -1.73 -1.35 115.31 121.73 1pj3 h LEU 95 Ca 0.13 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.75 1pj3 h LEU 95 Cb -0.02 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1pj3 h LEU 95 CO -0.05 0.63 0.01 0.15 -0.34 0.00 0.00 178.44 178.84 1pj3 h PHE 96 N 0.39 0.01 0.00 1.25 3.57 -0.30 0.06 116.94 121.92 1pj3 h PHE 96 Ca 0.07 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.46 1pj3 h PHE 96 Cb 0.56 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1pj3 h PHE 96 CO 0.02 -0.01 -0.58 1.88 -2.23 0.00 0.00 178.31 177.39 1pj3 h TYR 97 N 0.06 0.00 -0.51 0.41 -1.99 -1.19 -2.73 116.97 111.03 1pj3 h TYR 97 Ca 0.07 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 1pj3 h TYR 97 Cb 0.07 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.78 1pj3 h TYR 97 CO -0.14 0.58 0.26 -0.09 -0.00 0.00 0.00 178.16 178.77 1pj3 h ARG 98 N 0.00 0.72 -0.41 4.88 9.65 -0.71 -0.21 114.38 128.29 1pj3 h ARG 98 Ca -0.01 -0.09 0.01 0.00 -1.10 0.00 0.00 59.98 58.79 1pj3 h ARG 98 Cb 1.15 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.57 1pj3 h ARG 98 CO 0.07 0.57 0.26 0.82 2.80 0.00 0.00 179.97 184.50 1pj3 h ILE 99 N 0.67 1.07 -0.57 1.20 5.03 -0.85 -1.20 117.51 122.86 1pj3 h ILE 99 Ca 0.18 -0.18 -0.03 0.00 -0.12 0.00 0.00 64.86 64.71 1pj3 h ILE 99 Cb 0.08 0.50 -0.03 0.00 -3.03 0.00 0.00 36.82 34.35 1pj3 h ILE 99 CO -0.03 0.09 0.23 -0.07 -0.68 0.00 0.00 178.15 177.70 1pj3 h LEU 100 N 0.52 0.79 -1.61 1.44 4.07 -1.17 -2.86 115.31 116.48 1pj3 h LEU 100 Ca 0.16 -0.17 -0.04 0.00 0.08 0.00 0.00 57.88 57.91 1pj3 h LEU 100 Cb -0.02 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.51 1pj3 h LEU 100 CO -0.06 0.74 -0.21 -0.61 -1.08 0.00 0.00 178.44 177.22 1pj3 h GLN 101 N 0.78 0.00 -0.19 1.13 4.15 -0.63 -0.95 115.11 119.40 1pj3 h GLN 101 Ca 0.19 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.56 1pj3 h GLN 101 Cb 0.20 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 1pj3 h GLN 101 CO -0.02 0.21 -0.10 -0.44 -1.93 0.00 0.00 178.83 176.56 1pj3 h ASP 102 N 0.00 0.27 -0.52 -0.69 3.32 -0.99 -3.38 116.42 114.43 1pj3 h ASP 102 Ca -0.00 -0.05 -0.17 0.00 0.02 0.00 0.00 57.03 56.82 1pj3 h ASP 102 Cb 0.40 -0.07 -0.15 0.00 0.22 0.00 0.00 39.33 39.73 1pj3 h ASP 102 CO 0.03 0.41 -0.47 -0.67 -1.72 0.00 0.00 179.24 176.82 1pj3 n ASP 103 N -4.28 -3.11 0.03 6.45 -0.08 -1.07 -5.02 116.55 109.47 1pj3 n ASP 103 Ca -0.00 -2.99 0.02 0.00 -1.51 0.00 0.00 54.79 50.30 1pj3 n ASP 103 Cb 0.26 1.73 0.37 0.00 2.34 0.00 0.00 41.12 45.82 1pj3 n ASP 103 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1pj3 h ILE 104 N 3.96 1.16 -0.23 5.18 6.09 -1.37 -2.84 117.51 129.46 1pj3 h ILE 104 Ca -0.04 -0.55 -0.12 0.00 -1.37 0.00 0.00 64.86 62.78 1pj3 h ILE 104 Cb 1.08 0.83 -0.01 0.00 0.47 0.00 0.00 36.82 39.19 1pj3 h ILE 104 CO 0.14 0.20 -0.36 -0.08 -3.07 0.00 0.00 178.15 174.97 1pj3 h GLU 105 N 0.46 0.50 0.00 2.19 4.81 -1.87 -3.13 114.58 117.55 1pj3 h GLU 105 Ca 0.11 -0.23 -0.16 0.00 -0.13 0.00 0.00 59.36 58.94 1pj3 h GLU 105 Cb 0.19 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1pj3 h GLU 105 CO -0.00 0.79 -0.78 0.66 -0.73 0.00 0.00 179.01 178.95 1pj3 h SER 106 N 0.42 0.00 -1.24 1.04 4.64 -1.92 -3.39 113.55 113.11 1pj3 h SER 106 Ca 0.04 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.67 1pj3 h SER 106 Cb 0.83 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.77 1pj3 h SER 106 CO 0.07 0.78 1.83 0.18 -0.87 0.00 0.00 176.83 178.82 1pj3 n LEU 107 N -3.32 7.64 0.00 5.97 4.77 -1.09 -4.52 117.00 126.46 1pj3 n LEU 107 Ca 0.01 -4.75 0.00 0.00 -0.03 0.00 0.00 56.01 51.24 1pj3 n LEU 107 Cb 0.84 -1.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1pj3 n LEU 107 CO 0.44 1.98 0.00 -2.65 -1.33 0.00 0.00 177.39 175.83 1pj3 n PRO 109 N 1.35 0.00 -0.08 3.23 -0.02 -1.26 -1.24 135.00 136.98 1pj3 n PRO 109 Ca 0.58 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.87 1pj3 n PRO 109 Cb 0.32 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.67 1pj3 n PRO 109 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1pj3 h ILE 110 N 0.00 1.21 0.00 4.25 1.08 -1.84 -2.55 117.51 119.67 1pj3 h ILE 110 Ca 0.00 -2.26 0.00 0.00 -0.39 0.00 0.00 64.86 62.21 1pj3 h ILE 110 Cb 0.00 2.66 0.00 0.00 -3.07 0.00 0.00 36.82 36.41 1pj3 h ILE 110 CO 0.00 0.45 -0.68 -0.37 -0.69 0.00 0.00 178.15 176.87 1pj3 h VAL 111 N -0.92 0.00 -1.13 1.67 -1.51 -1.56 -3.34 116.25 109.45 1pj3 h VAL 111 Ca -0.23 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 64.63 1pj3 h VAL 111 Cb 1.26 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.60 1pj3 h VAL 111 CO -0.11 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.23 1pj3 n TYR 112 N -2.26 0.00 -2.35 5.19 9.36 -1.26 -4.58 117.16 121.27 1pj3 n TYR 112 Ca 0.03 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.86 1pj3 n TYR 112 Cb 0.46 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.15 1pj3 n TYR 112 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1pj3 s THR 113 N 1.77 3.26 -0.36 2.97 -1.32 -1.26 -0.39 115.64 120.32 1pj3 s THR 113 Ca 0.00 1.10 0.23 0.00 -1.21 0.00 0.00 61.69 61.81 1pj3 s THR 113 Cb 0.00 -3.64 -0.04 0.00 -1.51 0.00 0.00 72.50 67.32 1pj3 s THR 113 CO 0.00 0.14 1.05 -0.81 -2.21 0.00 0.00 174.62 172.79 1pj3 n PRO 114 N 0.34 0.50 0.01 7.08 -0.04 -1.23 -4.17 135.00 137.49 1pj3 n PRO 114 Ca 0.03 0.07 0.10 0.00 -0.04 0.00 0.00 63.50 63.66 1pj3 n PRO 114 Cb 0.46 -1.74 0.53 0.00 -0.04 0.00 0.00 33.50 32.71 1pj3 n PRO 114 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1pj3 h THR 115 N 0.00 0.94 0.00 0.52 2.02 -1.20 -0.51 112.91 114.69 1pj3 h THR 115 Ca 0.00 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 1pj3 h THR 115 Cb 0.91 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1pj3 h THR 115 CO 0.00 0.06 -0.11 1.62 0.37 0.00 0.00 175.52 177.46 1pj3 h VAL 116 N 0.32 0.83 -0.23 3.16 3.04 -0.84 -0.02 116.25 122.51 1pj3 h VAL 116 Ca 0.19 -0.40 -0.08 0.00 -1.01 0.00 0.00 66.70 65.41 1pj3 h VAL 116 Cb 0.36 1.23 -0.01 0.00 -2.01 0.00 0.00 31.29 30.86 1pj3 h VAL 116 CO -0.04 0.10 -0.16 1.23 -1.01 0.00 0.00 177.57 177.69 1pj3 h GLY 117 N 0.46 0.57 1.03 3.17 0.00 -1.32 -2.01 103.07 104.97 1pj3 h GLY 117 Ca -0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 1pj3 h GLY 117 CO 0.01 0.49 0.48 -2.00 0.00 0.00 0.00 176.54 175.52 1pj3 h LEU 118 N 0.23 1.13 -0.60 3.11 5.85 -1.15 -2.17 115.31 121.71 1pj3 h LEU 118 Ca 0.05 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 1pj3 h LEU 118 Cb 0.68 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1pj3 h LEU 118 CO 0.04 0.92 0.26 0.00 -0.34 0.00 0.00 178.44 179.32 1pj3 h ALA 119 N 1.26 0.77 -0.76 1.25 0.00 -0.92 -2.59 119.26 118.27 1pj3 h ALA 119 Ca 0.31 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1pj3 h ALA 119 Cb 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1pj3 h ALA 119 CO -0.05 0.36 0.27 0.00 0.00 0.00 0.00 179.25 179.83 1pj3 h SER 121 N 1.12 0.00 0.00 0.00 0.02 -1.02 -2.19 113.55 111.47 1pj3 h SER 121 Ca 0.25 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1pj3 h SER 121 Cb 0.26 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1pj3 h SER 121 CO -0.01 0.00 -0.19 0.00 -1.14 0.00 0.00 176.83 175.49 1pj3 n GLN 122 N -4.19 1.18 -0.28 3.45 6.02 -0.87 -4.84 117.38 117.85 1pj3 n GLN 122 Ca -0.01 -2.56 0.10 0.00 -0.01 0.00 0.00 57.00 54.53 1pj3 n GLN 122 Cb 0.20 -1.38 0.24 0.00 1.02 0.00 0.00 30.24 30.32 1pj3 n GLN 122 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 1pj3 h TYR 123 N 0.24 0.28 0.00 1.08 3.20 0.53 0.25 116.97 122.55 1pj3 h TYR 123 Ca -0.01 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 1pj3 h TYR 123 Cb 1.07 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.35 1pj3 h TYR 123 CO 0.18 -0.18 -0.01 0.78 -1.64 0.00 0.00 178.16 177.28 1pj3 h GLY 124 N 0.21 0.00 1.45 1.82 0.00 -1.84 -2.27 103.07 102.44 1pj3 h GLY 124 Ca 0.50 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.61 1pj3 h GLY 124 CO -0.62 0.00 -1.27 0.45 0.00 0.00 0.00 176.54 175.10 1pj3 h HIS 125 N 0.00 0.00 -0.12 5.60 3.86 -0.82 -3.35 115.15 120.33 1pj3 h HIS 125 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1pj3 h HIS 125 Cb 0.49 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.96 1pj3 h HIS 125 CO 0.00 0.86 0.00 0.44 0.86 0.00 0.00 177.93 180.09 1pj3 n ILE 126 N -3.14 0.14 -1.60 2.45 -5.35 -0.91 -5.02 119.36 105.93 1pj3 n ILE 126 Ca -0.08 -0.57 -0.47 0.00 -0.27 0.00 0.00 62.75 61.37 1pj3 n ILE 126 Cb 0.94 1.31 -0.03 0.00 -1.74 0.00 0.00 39.64 40.11 1pj3 n ILE 126 CO 0.00 0.00 0.00 0.33 -1.76 0.00 0.00 176.55 175.12 1pj3 n PHE 127 N 1.22 1.47 0.00 4.28 7.35 -0.86 -4.88 117.46 126.03 1pj3 n PHE 127 Ca 0.14 0.64 0.00 0.00 -0.76 0.00 0.00 57.45 57.46 1pj3 n PHE 127 Cb 0.53 -2.31 0.00 0.00 0.35 0.00 0.00 39.48 38.06 1pj3 n PHE 127 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1pj3 n ARG 128 N 1.48 0.00 -3.93 -4.13 1.74 -1.26 -5.10 116.66 105.46 1pj3 n ARG 128 Ca 0.13 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.10 1pj3 n ARG 128 Cb 0.28 -0.07 -0.12 0.00 -1.02 0.00 0.00 32.46 31.54 1pj3 n ARG 128 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1pj3 s ARG 129 N -1.99 0.26 0.59 5.56 0.52 -1.26 -5.16 118.95 117.47 1pj3 s ARG 129 Ca 0.00 -0.41 -0.11 0.00 -0.52 0.00 0.00 55.73 54.69 1pj3 s ARG 129 Cb 0.00 0.10 -0.04 0.00 0.52 0.00 0.00 34.95 35.52 1pj3 s ARG 129 CO 0.00 -0.05 0.99 -1.25 0.02 0.00 0.00 175.30 175.02 1pj3 s PRO 130 N -1.05 3.63 -0.00 3.54 0.04 -1.26 -5.07 135.00 134.82 1pj3 s PRO 130 Ca -0.12 0.70 0.01 0.00 0.04 0.00 0.00 61.00 61.63 1pj3 s PRO 130 Cb -0.07 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1pj3 s PRO 130 CO -0.00 -0.49 -0.02 0.15 0.04 0.00 0.00 177.00 176.68 1pj3 s LYS 131 N -4.99 0.17 0.10 4.56 1.02 -1.26 -5.11 119.74 114.23 1pj3 s LYS 131 Ca 0.54 -0.06 0.00 0.00 0.02 0.00 0.00 55.97 56.47 1pj3 s LYS 131 Cb -0.11 -0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.02 1pj3 s LYS 131 CO 0.50 0.03 0.00 0.41 -0.92 0.00 0.00 175.35 175.37 1pj3 n GLY 132 N 3.12 -2.67 3.69 -3.33 0.00 -1.26 -4.92 105.19 99.81 1pj3 n GLY 132 Ca -0.14 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 1pj3 n GLY 132 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pj3 s LEU 133 N 0.00 3.85 -0.21 0.99 1.43 0.54 -4.99 118.68 120.29 1pj3 s LEU 133 Ca 0.00 0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 53.23 1pj3 s LEU 133 Cb 0.00 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 1pj3 s LEU 133 CO 0.00 0.27 -0.05 -0.36 0.23 0.00 0.00 176.35 176.44 1pj3 s PHE 134 N -0.21 2.95 -0.21 0.29 0.40 -1.26 -1.38 117.98 118.56 1pj3 s PHE 134 Ca 0.08 -0.90 0.01 0.00 -0.60 0.00 0.00 56.93 55.52 1pj3 s PHE 134 Cb -0.12 -2.08 0.03 0.00 0.51 0.00 0.00 43.02 41.36 1pj3 s PHE 134 CO 0.01 -0.50 -0.16 0.42 0.70 0.00 0.00 175.22 175.69 1pj3 s ILE 135 N 1.34 2.23 0.28 0.64 1.01 -0.38 -5.00 121.20 121.33 1pj3 s ILE 135 Ca 0.04 -1.07 0.08 0.00 0.00 0.00 0.00 60.65 59.70 1pj3 s ILE 135 Cb -0.14 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 1pj3 s ILE 135 CO -0.03 0.38 0.14 -0.94 0.00 0.00 0.00 174.94 174.49 1pj3 s SER 136 N 1.26 5.05 0.53 3.58 1.04 -1.26 0.30 113.70 124.20 1pj3 s SER 136 Ca 0.02 -0.50 0.19 0.00 0.48 0.00 0.00 55.95 56.14 1pj3 s SER 136 Cb -0.15 -1.05 1.33 0.00 0.10 0.00 0.00 66.02 66.25 1pj3 s SER 136 CO -0.10 -0.12 2.11 -0.29 0.98 0.00 0.00 173.24 175.82 1pj3 h ILE 137 N 1.58 0.90 0.00 -1.02 6.09 -1.33 0.27 117.51 124.01 1pj3 h ILE 137 Ca -0.46 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.03 1pj3 h ILE 137 Cb 1.25 0.93 0.00 0.00 0.47 0.00 0.00 36.82 39.46 1pj3 h ILE 137 CO 0.61 0.00 0.00 -1.20 -3.07 0.00 0.00 178.15 174.49 1pj3 n SER 138 N -4.46 0.00 -1.32 2.19 7.64 -1.26 -1.74 113.62 114.66 1pj3 n SER 138 Ca 0.00 0.49 0.11 0.00 1.01 0.00 0.00 58.87 60.48 1pj3 n SER 138 Cb 0.23 -0.49 0.31 0.00 -1.01 0.00 0.00 64.21 63.25 1pj3 n SER 138 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1pj3 n ASP 139 N -1.49 3.84 -4.62 6.43 8.00 0.95 -4.98 116.55 124.67 1pj3 n ASP 139 Ca 0.03 -2.05 -0.51 0.00 0.71 0.00 0.00 54.79 52.98 1pj3 n ASP 139 Cb 0.16 -0.48 -0.05 0.00 -0.02 0.00 0.00 41.12 40.73 1pj3 n ASP 139 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1pj3 n ARG 140 N 1.50 1.46 -0.44 -1.24 0.63 -0.71 -0.58 116.66 117.29 1pj3 n ARG 140 Ca 0.24 0.53 0.00 0.00 -0.92 0.00 0.00 57.85 57.69 1pj3 n ARG 140 Cb 0.62 -2.22 0.00 0.00 0.45 0.00 0.00 32.46 31.31 1pj3 n ARG 140 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1pj3 n GLY 141 N 2.95 1.14 0.21 5.14 0.00 -1.26 -4.84 105.19 108.53 1pj3 n GLY 141 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.24 1pj3 n GLY 141 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pj3 n HIS 142 N -2.00 0.00 -0.27 1.61 8.25 0.26 -4.86 115.22 118.21 1pj3 n HIS 142 Ca 0.00 -0.37 0.00 0.00 -0.26 0.00 0.00 57.72 57.09 1pj3 n HIS 142 Cb 0.00 -0.07 0.20 0.00 1.12 0.00 0.00 29.99 31.24 1pj3 n HIS 142 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1pj3 h VAL 143 N 3.22 1.21 -0.66 1.59 2.07 -1.87 -2.29 116.25 119.51 1pj3 h VAL 143 Ca 0.00 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.15 1pj3 h VAL 143 Cb 1.08 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1pj3 h VAL 143 CO 0.00 0.21 0.44 -0.09 0.02 0.00 0.00 177.57 178.14 1pj3 h ARG 144 N 1.13 0.83 -0.62 1.57 9.65 -1.89 -1.18 114.38 123.88 1pj3 h ARG 144 Ca 0.31 -0.05 -0.07 0.00 -1.10 0.00 0.00 59.98 59.08 1pj3 h ARG 144 Cb -0.11 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.26 1pj3 h ARG 144 CO -0.07 0.55 0.12 1.03 2.80 0.00 0.00 179.97 184.40 1pj3 h SER 145 N 0.86 0.94 -0.12 -3.80 0.87 -1.80 -0.32 113.55 110.17 1pj3 h SER 145 Ca 0.25 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1pj3 h SER 145 Cb -0.04 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.67 1pj3 h SER 145 CO -0.06 0.93 -0.01 0.40 -0.53 0.00 0.00 176.83 177.56 1pj3 h ILE 146 N 0.94 1.27 -0.82 2.23 2.04 -1.23 -2.90 117.51 119.03 1pj3 h ILE 146 Ca 0.19 -0.87 0.04 0.00 1.00 0.00 0.00 64.86 65.23 1pj3 h ILE 146 Cb 0.38 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 38.01 1pj3 h ILE 146 CO 0.01 0.25 0.54 0.58 0.00 0.00 0.00 178.15 179.53 1pj3 h VAL 147 N -0.06 1.12 0.00 1.67 2.07 -1.01 -0.08 116.25 119.96 1pj3 h VAL 147 Ca 0.03 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1pj3 h VAL 147 Cb 0.39 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1pj3 h VAL 147 CO 0.01 0.18 0.00 0.47 0.02 0.00 0.00 177.57 178.25 1pj3 n ASP 148 N -4.46 0.43 0.09 0.57 8.00 -0.15 -2.17 116.55 118.87 1pj3 n ASP 148 Ca 0.11 0.62 0.13 0.00 0.71 0.00 0.00 54.79 56.36 1pj3 n ASP 148 Cb 0.13 -0.71 0.31 0.00 -0.02 0.00 0.00 41.12 40.84 1pj3 n ASP 148 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1pj3 n ASN 149 N -1.99 0.79 -4.70 -2.24 3.02 -0.04 -4.82 115.26 105.27 1pj3 n ASN 149 Ca 0.02 0.41 -0.42 0.00 -0.03 0.00 0.00 54.58 54.55 1pj3 n ASN 149 Cb 0.17 -0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 38.87 1pj3 n ASN 149 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1pj3 s TRP 150 N -3.13 2.86 0.49 3.10 -0.11 -0.92 -4.91 118.94 116.32 1pj3 s TRP 150 Ca 0.09 0.66 0.20 0.00 1.22 0.00 0.00 56.10 58.28 1pj3 s TRP 150 Cb 0.13 -3.81 1.32 0.00 -1.50 0.00 0.00 33.47 29.61 1pj3 s TRP 150 CO 0.64 -3.05 2.10 -1.00 -4.62 0.00 0.00 176.95 171.02 1pj3 h PRO 151 N 7.52 0.00 -6.58 5.86 0.13 -1.90 -3.44 132.00 133.58 1pj3 h PRO 151 Ca -0.41 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.20 1pj3 h PRO 151 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1pj3 h PRO 151 CO 0.90 0.09 0.22 -1.21 -0.23 0.00 0.00 178.00 177.78 1pj3 s GLU 152 N -4.65 4.64 0.05 0.86 0.41 -1.26 -5.00 118.70 113.74 1pj3 s GLU 152 Ca -0.04 1.24 0.22 0.00 -0.41 0.00 0.00 54.97 55.98 1pj3 s GLU 152 Cb 0.15 -3.26 -0.13 0.00 -1.78 0.00 0.00 34.13 29.11 1pj3 s GLU 152 CO 0.64 0.56 0.82 0.09 -0.49 0.00 0.00 175.26 176.87 1pj3 n ASN 153 N 1.55 0.47 -2.57 -0.19 3.02 -1.26 -4.61 115.26 111.67 1pj3 n ASN 153 Ca -0.05 -0.10 -0.26 0.00 -0.03 0.00 0.00 54.58 54.14 1pj3 n ASN 153 Cb 0.48 1.19 -0.01 0.00 -0.61 0.00 0.00 39.78 40.84 1pj3 n ASN 153 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1pj3 n HIS 154 N -2.17 3.41 -1.85 3.10 8.25 -1.26 -4.93 115.22 119.76 1pj3 n HIS 154 Ca -0.00 -3.26 -0.42 0.00 -0.26 0.00 0.00 57.72 53.78 1pj3 n HIS 154 Cb 0.50 -0.16 -0.02 0.00 1.12 0.00 0.00 29.99 31.42 1pj3 n HIS 154 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1pj3 s VAL 155 N -5.23 2.28 -0.01 1.59 1.01 -1.26 -4.67 120.40 114.10 1pj3 s VAL 155 Ca 0.47 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.69 1pj3 s VAL 155 Cb 0.38 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 1pj3 s VAL 155 CO -0.17 0.03 0.03 0.29 0.00 0.00 0.00 175.10 175.28 1pj3 n LYS 156 N 2.59 0.86 -3.79 2.72 4.76 0.68 -4.91 118.16 121.07 1pj3 n LYS 156 Ca 0.09 -0.01 -0.14 0.00 -2.87 0.00 0.00 58.31 55.38 1pj3 n LYS 156 Cb 0.38 -0.97 -0.15 0.00 -1.84 0.00 0.00 35.03 32.45 1pj3 n LYS 156 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pj3 s ALA 157 N -1.97 -0.02 -0.03 7.82 0.00 -0.73 -1.87 121.76 124.96 1pj3 s ALA 157 Ca -0.00 0.33 0.05 0.00 0.00 0.00 0.00 51.96 52.33 1pj3 s ALA 157 Cb 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 1pj3 s ALA 157 CO 0.05 -0.10 -0.19 0.08 0.00 0.00 0.00 175.76 175.61 1pj3 s VAL 158 N 0.86 1.53 -0.18 0.00 1.01 0.33 -0.63 120.40 123.32 1pj3 s VAL 158 Ca -0.07 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1pj3 s VAL 158 Cb -0.10 -1.30 0.03 0.00 0.00 0.00 0.00 36.38 35.01 1pj3 s VAL 158 CO -0.03 0.44 -0.15 -0.69 0.00 0.00 0.00 175.10 174.67 1pj3 s VAL 159 N -0.17 1.81 0.11 2.92 1.01 -1.08 0.19 120.40 125.19 1pj3 s VAL 159 Ca 0.00 -0.93 0.10 0.00 0.00 0.00 0.00 61.98 61.16 1pj3 s VAL 159 Cb -0.10 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1pj3 s VAL 159 CO 0.01 0.36 -0.26 0.54 0.00 0.00 0.00 175.10 175.75 1pj3 s VAL 160 N 1.36 2.30 0.07 2.92 0.11 -0.14 -0.99 120.40 126.03 1pj3 s VAL 160 Ca 0.02 -1.66 -0.10 0.00 -2.93 0.00 0.00 61.98 57.30 1pj3 s VAL 160 Cb -0.14 -2.00 0.01 0.00 -1.53 0.00 0.00 36.38 32.71 1pj3 s VAL 160 CO -0.10 0.14 0.23 0.28 -3.33 0.00 0.00 175.10 172.32 1pj3 s THR 161 N -1.02 0.12 -0.58 5.04 -1.32 -0.64 -0.69 115.64 116.55 1pj3 s THR 161 Ca 0.14 -0.96 0.06 0.00 -1.21 0.00 0.00 61.69 59.72 1pj3 s THR 161 Cb -0.10 -1.12 0.15 0.00 -1.51 0.00 0.00 72.50 69.91 1pj3 s THR 161 CO 0.06 -0.53 1.05 -0.90 -2.21 0.00 0.00 174.62 172.09 1pj3 n ASP 162 N 0.27 2.31 -2.13 8.08 5.75 -1.26 -0.10 116.55 129.47 1pj3 n ASP 162 Ca -0.17 -1.85 -0.20 0.00 -0.01 0.00 0.00 54.79 52.57 1pj3 n ASP 162 Cb 0.61 -0.10 -0.03 0.00 -1.03 0.00 0.00 41.12 40.56 1pj3 n ASP 162 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pj3 n GLY 163 N 0.13 0.29 0.13 6.12 0.00 -1.26 -4.58 105.19 106.03 1pj3 n GLY 163 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.14 1pj3 n GLY 163 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pj3 h GLU 164 N 0.00 0.00 -2.01 1.61 4.81 -1.82 -0.76 114.58 116.41 1pj3 h GLU 164 Ca -0.45 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.22 1pj3 h GLU 164 Cb 1.34 0.00 -0.39 0.00 0.63 0.00 0.00 28.75 30.32 1pj3 h GLU 164 CO 0.57 0.18 -1.09 -2.13 -0.73 0.00 0.00 179.01 175.81 1pj3 n ARG 165 N -2.91 0.80 -2.59 1.92 0.00 -0.95 -2.39 116.66 110.54 1pj3 n ARG 165 Ca -0.02 -3.29 -0.43 0.00 -0.00 0.00 0.00 57.85 54.11 1pj3 n ARG 165 Cb 0.67 -1.27 -0.02 0.00 0.00 0.00 0.00 32.46 31.84 1pj3 n ARG 165 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1pj3 s ILE 166 N -1.27 4.21 0.00 5.15 -1.09 -0.74 -4.49 121.20 122.97 1pj3 s ILE 166 Ca 0.35 1.25 0.00 0.00 -2.23 0.00 0.00 60.65 60.02 1pj3 s ILE 166 Cb 0.17 -4.57 0.00 0.00 -1.58 0.00 0.00 42.46 36.48 1pj3 s ILE 166 CO -0.10 -0.96 0.00 0.18 -1.23 0.00 0.00 174.94 172.82 1pj3 n LEU 167 N 7.82 0.00 -1.95 2.97 4.77 -1.26 -0.49 117.00 128.86 1pj3 n LEU 167 Ca 0.12 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.06 1pj3 n LEU 167 Cb 0.49 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.88 1pj3 n LEU 167 CO 0.71 0.00 1.00 0.61 -1.33 0.00 0.00 177.39 178.37 1pj3 n GLY 168 N 0.00 3.46 0.10 -0.72 0.00 0.23 -4.33 105.19 103.94 1pj3 n GLY 168 Ca 0.00 -0.93 0.12 0.00 0.00 0.00 0.00 46.02 45.20 1pj3 n GLY 168 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pj3 n LEU 169 N -0.03 0.89 0.00 0.99 4.32 0.36 -4.86 117.00 118.66 1pj3 n LEU 169 Ca 0.38 -0.25 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 1pj3 n LEU 169 Cb 1.33 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 42.99 1pj3 n LEU 169 CO 0.41 0.19 0.00 0.61 -1.22 0.00 0.00 177.39 177.39 1pj3 n GLY 170 N 1.46 -1.15 3.58 -0.72 0.00 -1.21 -4.80 105.19 102.34 1pj3 n GLY 170 Ca 0.07 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 1pj3 n GLY 170 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pj3 s ASP 171 N -4.00 6.04 0.00 1.61 -1.08 -1.01 -1.79 116.67 116.44 1pj3 s ASP 171 Ca 0.00 0.63 0.10 0.00 -0.52 0.00 0.00 52.55 52.76 1pj3 s ASP 171 Cb 0.00 -2.54 0.16 0.00 -1.46 0.00 0.00 42.92 39.08 1pj3 s ASP 171 CO 0.00 -1.71 0.98 0.18 0.52 0.00 0.00 175.17 175.14 1pj3 n LEU 172 N 9.89 2.24 0.00 -1.34 4.77 -0.37 -4.50 117.00 127.69 1pj3 n LEU 172 Ca 0.17 -1.40 0.00 0.00 -0.03 0.00 0.00 56.01 54.75 1pj3 n LEU 172 Cb 0.49 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1pj3 n LEU 172 CO 0.70 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.87 1pj3 n GLY 173 N 0.51 2.39 0.16 -0.72 0.00 -0.72 -1.43 105.19 105.37 1pj3 n GLY 173 Ca 0.08 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 45.93 1pj3 n GLY 173 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pj3 n VAL 174 N 0.00 0.96 0.41 1.61 0.31 -1.26 -0.72 118.33 119.64 1pj3 n VAL 174 Ca 0.00 0.58 0.10 0.00 -0.01 0.00 0.00 64.34 65.00 1pj3 n VAL 174 Cb 0.00 -1.56 0.42 0.00 -0.91 0.00 0.00 33.84 31.79 1pj3 n VAL 174 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1pj3 n TYR 175 N -2.27 0.51 -2.02 3.52 0.53 -0.52 -4.70 117.16 112.21 1pj3 n TYR 175 Ca -0.00 0.20 -0.39 0.00 -1.02 0.00 0.00 57.90 56.69 1pj3 n TYR 175 Cb 0.10 -0.83 -0.03 0.00 -1.03 0.00 0.00 39.34 37.55 1pj3 n TYR 175 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1pj3 n GLY 176 N -0.10 2.49 4.29 2.72 0.00 0.10 -4.50 105.19 110.19 1pj3 n GLY 176 Ca 0.02 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1pj3 n GLY 176 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pj3 n GLY 178 N 5.11 0.00 0.23 -0.02 0.00 -1.26 -4.16 105.19 105.08 1pj3 n GLY 178 Ca 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.37 1pj3 n GLY 178 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pj3 h ILE 179 N 0.00 0.54 -0.87 -0.61 5.03 -1.90 0.18 117.51 119.88 1pj3 h ILE 179 Ca 0.00 -0.57 0.13 0.00 -0.12 0.00 0.00 64.86 64.29 1pj3 h ILE 179 Cb 0.00 0.78 -0.09 0.00 -3.03 0.00 0.00 36.82 34.49 1pj3 h ILE 179 CO 0.00 0.09 0.49 -0.65 -0.68 0.00 0.00 178.15 177.40 1pj3 h PRO 180 N -0.87 0.73 -0.46 2.37 0.11 -1.88 0.18 132.00 132.17 1pj3 h PRO 180 Ca -0.05 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 1pj3 h PRO 180 Cb 0.54 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 1pj3 h PRO 180 CO 0.09 0.48 0.24 0.28 -0.21 0.00 0.00 178.00 178.88 1pj3 h VAL 181 N 0.75 1.17 -0.14 3.15 2.07 -1.89 -1.84 116.25 119.52 1pj3 h VAL 181 Ca 0.45 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1pj3 h VAL 181 Cb 0.54 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1pj3 h VAL 181 CO -0.31 0.18 0.05 1.23 0.02 0.00 0.00 177.57 178.74 1pj3 h GLY 182 N 0.60 0.22 0.81 2.17 0.00 0.75 -2.53 103.07 105.11 1pj3 h GLY 182 Ca 0.16 -0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.39 1pj3 h GLY 182 CO -0.02 0.12 0.19 0.50 0.00 0.00 0.00 176.54 177.32 1pj3 h LYS 183 N 0.05 0.37 -0.07 4.80 1.79 -0.62 -2.40 116.57 120.48 1pj3 h LYS 183 Ca 0.04 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.45 1pj3 h LYS 183 Cb 0.20 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 1pj3 h LYS 183 CO -0.00 0.25 -0.15 -0.07 -1.08 0.00 0.00 179.45 178.40 1pj3 h LEU 184 N 0.38 0.10 -1.14 2.94 3.38 -1.31 -0.95 115.31 118.72 1pj3 h LEU 184 Ca 0.16 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1pj3 h LEU 184 Cb 0.07 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1pj3 h LEU 184 CO -0.11 0.27 0.35 0.00 0.09 0.00 0.00 178.44 179.03 1pj3 h LEU 186 N 0.95 0.00 -0.69 0.00 3.38 -0.98 0.11 115.31 118.08 1pj3 h LEU 186 Ca 0.24 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.25 1pj3 h LEU 186 Cb 0.06 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1pj3 h LEU 186 CO -0.04 0.44 0.41 1.88 0.09 0.00 0.00 178.44 181.23 1pj3 h TYR 187 N 0.00 0.76 0.00 1.13 -1.99 -0.17 -0.52 116.97 116.18 1pj3 h TYR 187 Ca -0.00 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.71 1pj3 h TYR 187 Cb 1.05 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 39.54 1pj3 h TYR 187 CO 0.00 0.40 -0.22 1.15 -0.00 0.00 0.00 178.16 179.49 1pj3 h THR 188 N 0.78 1.43 0.00 -2.88 2.02 -1.18 -2.20 112.91 110.89 1pj3 h THR 188 Ca 0.29 -2.16 -0.03 0.00 0.77 0.00 0.00 66.41 65.29 1pj3 h THR 188 Cb 0.11 2.79 -0.00 0.00 -1.74 0.00 0.00 68.15 69.31 1pj3 h THR 188 CO -0.15 0.49 -0.12 0.00 0.37 0.00 0.00 175.52 176.11 1pj3 h ALA 189 N -0.20 1.68 0.01 6.16 0.00 -0.79 -0.74 119.26 125.38 1pj3 h ALA 189 Ca -0.06 -0.11 -0.40 0.00 0.00 0.00 0.00 54.91 54.34 1pj3 h ALA 189 Cb 0.94 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 1pj3 h ALA 189 CO -0.04 0.15 -2.28 0.00 0.00 0.00 0.00 179.25 177.09 1pj3 n ALA 191 N -3.71 2.47 -1.92 0.00 0.00 -0.84 -4.28 120.51 112.22 1pj3 n ALA 191 Ca -0.47 -0.63 -0.12 0.00 0.00 0.00 0.00 53.44 52.23 1pj3 n ALA 191 Cb 0.90 -0.47 -0.02 0.00 0.00 0.00 0.00 19.45 19.86 1pj3 n ALA 191 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj3 n GLY 192 N 0.78 0.37 3.75 0.00 0.00 -0.28 -4.77 105.19 105.03 1pj3 n GLY 192 Ca 0.08 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 1pj3 n GLY 192 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pj3 s ILE 193 N -2.54 3.75 0.07 -0.61 1.01 -1.12 0.06 121.20 121.83 1pj3 s ILE 193 Ca 0.00 1.63 -0.30 0.00 0.00 0.00 0.00 60.65 61.97 1pj3 s ILE 193 Cb 0.00 -4.04 -0.09 0.00 0.01 0.00 0.00 42.46 38.34 1pj3 s ILE 193 CO 0.00 0.33 1.87 -0.13 0.00 0.00 0.00 174.94 177.01 1pj3 s ARG 194 N -0.86 4.15 0.19 2.79 0.52 -1.26 -4.16 118.95 120.31 1pj3 s ARG 194 Ca 0.47 2.56 -0.12 0.00 -0.52 0.00 0.00 55.73 58.12 1pj3 s ARG 194 Cb -0.30 -3.88 0.19 0.00 0.52 0.00 0.00 34.95 31.48 1pj3 s ARG 194 CO 0.37 -0.89 1.76 -1.35 0.02 0.00 0.00 175.30 175.21 1pj3 h PRO 195 N 9.56 0.42 0.00 3.54 0.11 -1.95 -0.90 132.00 142.77 1pj3 h PRO 195 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1pj3 h PRO 195 Cb 1.22 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1pj3 h PRO 195 CO 0.94 0.27 0.00 -0.40 -0.21 0.00 0.00 178.00 178.61 1pj3 n ASP 196 N -4.95 0.00 -0.56 -2.05 5.75 -1.26 -1.41 116.55 112.07 1pj3 n ASP 196 Ca 0.06 -0.28 0.05 0.00 -0.01 0.00 0.00 54.79 54.62 1pj3 n ASP 196 Cb 0.20 -0.04 0.14 0.00 -1.03 0.00 0.00 41.12 40.39 1pj3 n ASP 196 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1pj3 n ARG 197 N -1.04 2.86 -4.57 0.11 1.74 -0.35 -4.64 116.66 110.77 1pj3 n ARG 197 Ca 0.08 -2.10 -0.33 0.00 -0.77 0.00 0.00 57.85 54.73 1pj3 n ARG 197 Cb 0.04 -1.32 -0.11 0.00 -1.02 0.00 0.00 32.46 30.06 1pj3 n ARG 197 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pj3 s LEU 199 N -1.05 1.19 0.11 0.00 2.96 0.20 -4.98 118.68 117.10 1pj3 s LEU 199 Ca 0.14 -0.91 -0.30 0.00 -0.22 0.00 0.00 54.13 52.84 1pj3 s LEU 199 Cb -0.11 -0.58 -0.06 0.00 0.50 0.00 0.00 46.19 45.94 1pj3 s LEU 199 CO 0.04 -0.33 1.01 -2.84 -1.32 0.00 0.00 176.35 172.91 1pj3 s PRO 200 N 1.87 4.64 -0.03 0.98 0.02 -1.26 -2.65 135.00 138.57 1pj3 s PRO 200 Ca 0.01 1.53 0.03 0.00 0.02 0.00 0.00 61.00 62.59 1pj3 s PRO 200 Cb -0.17 -3.36 0.00 0.00 0.02 0.00 0.00 34.50 30.99 1pj3 s PRO 200 CO -0.11 0.12 -0.10 0.08 -0.33 0.00 0.00 177.00 176.66 1pj3 s VAL 201 N 0.15 0.82 -0.14 3.83 1.01 -0.16 -0.34 120.40 125.57 1pj3 s VAL 201 Ca 0.49 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.10 1pj3 s VAL 201 Cb -0.25 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.42 1pj3 s VAL 201 CO 0.31 0.26 -0.17 0.00 0.00 0.00 0.00 175.10 175.49 1pj3 s ILE 203 N 1.21 5.09 -0.42 0.00 -1.09 0.86 -1.25 121.20 125.61 1pj3 s ILE 203 Ca 0.00 0.62 -0.09 0.00 -2.23 0.00 0.00 60.65 58.96 1pj3 s ILE 203 Cb -0.14 -3.82 0.09 0.00 -1.58 0.00 0.00 42.46 37.01 1pj3 s ILE 203 CO -0.07 0.03 0.26 -0.62 -1.23 0.00 0.00 174.94 173.31 1pj3 s ASP 204 N 1.64 5.61 -0.13 3.58 2.15 0.15 -4.31 116.67 125.35 1pj3 s ASP 204 Ca 0.18 -1.59 0.16 0.00 0.43 0.00 0.00 52.55 51.74 1pj3 s ASP 204 Cb -0.16 -1.98 0.38 0.00 -0.30 0.00 0.00 42.92 40.87 1pj3 s ASP 204 CO 0.10 -0.56 1.28 1.33 -0.17 0.00 0.00 175.17 177.16 1pj3 n VAL 205 N 4.89 1.94 0.00 1.11 0.24 -1.26 -0.80 118.33 124.46 1pj3 n VAL 205 Ca -0.09 -1.89 0.00 0.00 -2.04 0.00 0.00 64.34 60.32 1pj3 n VAL 205 Cb 0.43 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 1pj3 n VAL 205 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pj3 n GLY 206 N -0.77 0.57 3.12 7.63 0.00 -1.26 -1.43 105.19 113.04 1pj3 n GLY 206 Ca 0.17 -2.17 -0.12 0.00 0.00 0.00 0.00 46.02 43.90 1pj3 n GLY 206 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1pj3 s THR 207 N -1.02 0.07 -2.63 2.61 -1.32 0.07 -4.45 115.64 108.97 1pj3 s THR 207 Ca 0.00 -0.54 0.24 0.00 -1.21 0.00 0.00 61.69 60.18 1pj3 s THR 207 Cb 0.00 -0.44 0.38 0.00 -1.51 0.00 0.00 72.50 70.93 1pj3 s THR 207 CO 0.00 -0.30 1.45 0.47 -2.21 0.00 0.00 174.62 174.03 1pj3 n ASP 208 N 1.68 2.59 -4.59 8.08 8.00 -1.26 -3.76 116.55 127.29 1pj3 n ASP 208 Ca -0.21 -1.85 -0.42 0.00 0.71 0.00 0.00 54.79 53.02 1pj3 n ASP 208 Cb 0.56 -0.09 -0.02 0.00 -0.02 0.00 0.00 41.12 41.55 1pj3 n ASP 208 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1pj3 s ASN 209 N -1.78 6.09 0.22 -2.24 3.84 -1.26 -4.89 114.94 114.92 1pj3 s ASN 209 Ca 0.34 0.67 -0.08 0.00 0.21 0.00 0.00 52.86 54.00 1pj3 s ASN 209 Cb 0.21 -2.54 0.29 0.00 -0.55 0.00 0.00 41.25 38.65 1pj3 s ASN 209 CO 0.30 -1.67 1.82 0.40 -2.79 0.00 0.00 177.10 175.17 1pj3 h ILE 210 N 6.53 0.97 -0.64 -5.21 1.08 -1.94 -2.02 117.51 116.28 1pj3 h ILE 210 Ca -0.28 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 63.93 1pj3 h ILE 210 Cb 1.12 0.14 -0.03 0.00 -3.07 0.00 0.00 36.82 34.98 1pj3 h ILE 210 CO 1.12 0.14 0.40 0.00 -0.69 0.00 0.00 178.15 179.12 1pj3 h ALA 211 N 1.38 1.50 -0.05 1.87 0.00 -1.98 -2.44 119.26 119.53 1pj3 h ALA 211 Ca 0.33 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 55.01 1pj3 h ALA 211 Cb 0.21 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1pj3 h ALA 211 CO -0.19 0.45 -0.71 -0.07 0.00 0.00 0.00 179.25 178.72 1pj3 h LEU 212 N 0.87 0.32 0.00 0.00 3.38 -1.77 -2.74 115.31 115.37 1pj3 h LEU 212 Ca 0.23 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1pj3 h LEU 212 Cb -0.06 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1pj3 h LEU 212 CO -0.05 0.93 0.00 0.18 0.09 0.00 0.00 178.44 179.59 1pj3 n LEU 213 N -3.80 0.00 -0.03 1.67 4.77 -0.93 -1.46 117.00 117.22 1pj3 n LEU 213 Ca -0.03 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1pj3 n LEU 213 Cb 0.69 -0.39 0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1pj3 n LEU 213 CO 0.46 -0.21 0.49 2.29 -1.33 0.00 0.00 177.39 179.09 1pj3 n LYS 214 N -1.39 2.71 -3.15 3.23 2.85 -1.11 -4.98 118.16 116.32 1pj3 n LYS 214 Ca 0.05 -1.45 -0.42 0.00 -1.05 0.00 0.00 58.31 55.44 1pj3 n LYS 214 Cb 0.13 -1.01 -0.07 0.00 -0.65 0.00 0.00 35.03 33.43 1pj3 n LYS 214 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1pj3 s ASP 215 N -0.93 6.36 0.24 -5.58 -1.08 -0.54 -4.94 116.67 110.20 1pj3 s ASP 215 Ca 0.01 -0.07 0.19 0.00 -0.52 0.00 0.00 52.55 52.15 1pj3 s ASP 215 Cb 0.00 -2.31 0.92 0.00 -1.46 0.00 0.00 42.92 40.08 1pj3 s ASP 215 CO 0.01 -0.62 1.57 -0.81 0.52 0.00 0.00 175.17 175.84 1pj3 n PRO 216 N 6.01 0.13 0.00 4.34 -0.04 -1.26 -1.47 135.00 142.71 1pj3 n PRO 216 Ca -0.02 0.54 0.12 0.00 -0.04 0.00 0.00 63.50 64.09 1pj3 n PRO 216 Cb 0.48 -1.85 0.06 0.00 -0.04 0.00 0.00 33.50 32.16 1pj3 n PRO 216 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1pj3 n PHE 217 N -2.10 0.00 0.00 0.54 3.72 -1.26 -5.17 117.46 113.19 1pj3 n PHE 217 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1pj3 n PHE 217 Cb 0.09 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 1pj3 n PHE 217 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1pj3 n TYR 218 N 0.87 -0.83 0.00 1.38 -0.00 -0.54 -4.54 117.16 113.50 1pj3 n TYR 218 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.02 1pj3 n TYR 218 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.89 1pj3 n TYR 218 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1pj3 n GLY 220 N 0.00 0.00 3.75 2.98 0.00 -1.26 -5.07 105.19 105.59 1pj3 n GLY 220 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1pj3 n GLY 220 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pj3 s LEU 221 N 0.00 4.43 -1.25 0.99 1.02 -1.26 -4.93 118.68 117.68 1pj3 s LEU 221 Ca 0.00 2.52 -0.14 0.00 0.02 0.00 0.00 54.13 56.54 1pj3 s LEU 221 Cb 0.00 -3.63 0.15 0.00 0.02 0.00 0.00 46.19 42.73 1pj3 s LEU 221 CO 0.00 -0.51 1.61 -1.22 0.02 0.00 0.00 176.35 176.25 1pj3 n TYR 222 N 1.76 4.51 -3.47 0.29 4.02 -1.26 -4.52 117.16 118.49 1pj3 n TYR 222 Ca 0.03 -3.15 -0.15 0.00 -0.01 0.00 0.00 57.90 54.62 1pj3 n TYR 222 Cb 0.42 -2.25 -0.04 0.00 -0.02 0.00 0.00 39.34 37.45 1pj3 n TYR 222 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1pj3 s GLN 223 N 1.95 1.16 0.84 -0.72 -2.07 -1.26 -5.08 119.66 114.49 1pj3 s GLN 223 Ca 0.45 -0.08 -0.10 0.00 -1.82 0.00 0.00 55.36 53.80 1pj3 s GLN 223 Cb 0.01 0.54 0.10 0.00 -1.09 0.00 0.00 33.01 32.58 1pj3 s GLN 223 CO 0.01 -0.44 1.11 0.15 -1.32 0.00 0.00 175.29 174.81 1pj3 s LYS 224 N -2.39 1.64 0.33 9.60 -0.14 -1.25 -0.75 119.74 126.77 1pj3 s LYS 224 Ca -0.05 1.29 -0.29 0.00 -1.36 0.00 0.00 55.97 55.55 1pj3 s LYS 224 Cb -0.00 -1.82 -0.11 0.00 -1.68 0.00 0.00 37.83 34.21 1pj3 s LYS 224 CO -0.01 -2.11 1.55 0.54 -0.76 0.00 0.00 175.35 174.56 1pj3 n ARG 225 N -3.85 2.69 -2.86 1.68 1.74 -1.25 -4.33 116.66 110.47 1pj3 n ARG 225 Ca 0.10 0.95 -0.43 0.00 -0.77 0.00 0.00 57.85 57.70 1pj3 n ARG 225 Cb 0.53 -2.71 -0.04 0.00 -1.02 0.00 0.00 32.46 29.21 1pj3 n ARG 225 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1pj3 s ASP 226 N 0.25 6.54 -0.06 0.55 -1.08 -0.52 -4.88 116.67 117.47 1pj3 s ASP 226 Ca 0.60 0.25 0.14 0.00 -0.52 0.00 0.00 52.55 53.02 1pj3 s ASP 226 Cb -0.49 -2.43 0.44 0.00 -1.46 0.00 0.00 42.92 38.98 1pj3 s ASP 226 CO 0.55 -0.92 1.37 0.54 0.52 0.00 0.00 175.17 177.22 1pj3 n ARG 227 N 6.87 3.00 -0.57 4.34 1.74 -1.26 -4.50 116.66 126.28 1pj3 n ARG 227 Ca 0.05 -2.40 -0.10 0.00 -0.77 0.00 0.00 57.85 54.63 1pj3 n ARG 227 Cb 0.48 -1.52 0.07 0.00 -1.02 0.00 0.00 32.46 30.47 1pj3 n ARG 227 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1pj3 n THR 228 N 0.40 0.00 0.31 0.55 -2.24 -1.26 -4.87 114.28 107.17 1pj3 n THR 228 Ca 0.17 -0.29 0.20 0.00 -2.27 0.00 0.00 64.05 61.85 1pj3 n THR 228 Cb 0.62 -1.71 1.00 0.00 -2.10 0.00 0.00 70.33 68.14 1pj3 n THR 228 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1pj3 h GLN 229 N 0.00 0.00 -0.03 -0.78 5.75 -2.01 -1.97 115.11 116.06 1pj3 h GLN 229 Ca -0.14 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.33 1pj3 h GLN 229 Cb 0.39 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 1pj3 h GLN 229 CO 0.10 0.00 -0.13 1.96 -2.65 0.00 0.00 178.83 178.10 1pj3 h GLN 230 N 0.00 0.05 0.71 1.69 4.20 -1.93 -1.07 115.11 118.76 1pj3 h GLN 230 Ca 0.00 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1pj3 h GLN 230 Cb 0.12 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.90 1pj3 h GLN 230 CO 0.00 0.18 -0.34 -0.92 -0.67 0.00 0.00 178.83 177.08 1pj3 h TYR 231 N 0.04 -0.88 -0.79 2.96 3.20 -1.58 -1.12 116.97 118.80 1pj3 h TYR 231 Ca 0.01 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.92 1pj3 h TYR 231 Cb 0.27 0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.78 1pj3 h TYR 231 CO 0.00 -0.52 0.52 -0.44 -1.64 0.00 0.00 178.16 176.08 1pj3 h ASP 232 N -1.08 0.75 -0.45 -2.11 3.45 -1.63 -1.53 116.42 113.82 1pj3 h ASP 232 Ca -0.10 0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.34 1pj3 h ASP 232 Cb 0.76 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 39.35 1pj3 h ASP 232 CO 0.16 0.48 0.19 0.44 -1.57 0.00 0.00 179.24 178.94 1pj3 h ASP 233 N 0.85 0.61 -0.49 6.45 3.32 -1.07 -1.26 116.42 124.83 1pj3 h ASP 233 Ca 0.34 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1pj3 h ASP 233 Cb 0.25 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1pj3 h ASP 233 CO -0.12 0.60 0.31 0.25 -1.72 0.00 0.00 179.24 178.56 1pj3 h LEU 234 N 0.58 0.57 -0.77 1.55 5.85 -0.24 0.16 115.31 123.02 1pj3 h LEU 234 Ca 0.15 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1pj3 h LEU 234 Cb 0.17 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1pj3 h LEU 234 CO -0.01 0.43 0.40 0.40 -0.34 0.00 0.00 178.44 179.32 1pj3 h ILE 235 N 0.66 1.24 -0.38 4.05 1.08 -1.12 -0.24 117.51 122.80 1pj3 h ILE 235 Ca 0.18 -0.61 -0.00 0.00 -0.39 0.00 0.00 64.86 64.03 1pj3 h ILE 235 Cb -0.05 0.23 -0.02 0.00 -3.07 0.00 0.00 36.82 33.91 1pj3 h ILE 235 CO -0.04 0.27 0.22 0.44 -0.69 0.00 0.00 178.15 178.36 1pj3 h ASP 236 N 1.07 0.46 -0.83 1.72 3.45 -0.59 -2.42 116.42 119.27 1pj3 h ASP 236 Ca 0.27 -0.06 0.03 0.00 0.43 0.00 0.00 57.03 57.69 1pj3 h ASP 236 Cb 0.06 -0.12 -0.05 0.00 -0.56 0.00 0.00 39.33 38.67 1pj3 h ASP 236 CO -0.04 0.39 0.54 -0.08 -1.57 0.00 0.00 179.24 178.48 1pj3 h GLU 237 N 0.50 1.02 -0.25 3.56 4.81 -0.17 -2.09 114.58 121.96 1pj3 h GLU 237 Ca 0.14 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1pj3 h GLU 237 Cb 0.02 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.17 1pj3 h GLU 237 CO -0.02 0.68 0.00 0.34 -0.73 0.00 0.00 179.01 179.27 1pj3 n PHE 238 N -4.56 0.00 0.00 0.92 7.35 -0.15 -1.09 117.46 119.93 1pj3 n PHE 238 Ca 0.10 -0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.78 1pj3 n PHE 238 Cb 0.07 -0.02 0.00 0.00 0.35 0.00 0.00 39.48 39.89 1pj3 n PHE 238 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1pj3 n LYS 240 N 0.52 0.00 -0.22 -4.13 4.81 -0.79 -1.23 118.16 117.13 1pj3 n LYS 240 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 1pj3 n LYS 240 Cb 0.02 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.10 1pj3 n LYS 240 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pj3 h ALA 241 N 0.00 0.79 -0.26 3.14 0.00 -1.37 0.46 119.26 122.03 1pj3 h ALA 241 Ca 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1pj3 h ALA 241 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1pj3 h ALA 241 CO 0.00 0.39 0.06 0.97 0.00 0.00 0.00 179.25 180.67 1pj3 h ILE 242 N 0.85 1.22 -0.14 0.00 6.09 -1.42 -2.11 117.51 121.99 1pj3 h ILE 242 Ca 0.21 -0.72 -0.15 0.00 -1.37 0.00 0.00 64.86 62.82 1pj3 h ILE 242 Cb 0.18 1.20 -0.01 0.00 0.47 0.00 0.00 36.82 38.65 1pj3 h ILE 242 CO -0.02 0.23 -0.56 0.71 -3.07 0.00 0.00 178.15 175.44 1pj3 h THR 243 N 0.25 1.34 -0.30 2.19 1.35 -1.76 -0.55 112.91 115.43 1pj3 h THR 243 Ca 0.08 -1.84 0.04 0.00 -0.55 0.00 0.00 66.41 64.14 1pj3 h THR 243 Cb 0.30 1.85 -0.04 0.00 -1.73 0.00 0.00 68.15 68.53 1pj3 h THR 243 CO 0.00 0.56 0.08 0.44 -0.25 0.00 0.00 175.52 176.35 1pj3 h ASP 244 N 0.33 0.05 0.06 5.36 5.19 0.08 0.28 116.42 127.77 1pj3 h ASP 244 Ca 0.00 0.04 -0.21 0.00 -0.62 0.00 0.00 57.03 56.24 1pj3 h ASP 244 Cb 1.08 0.05 0.02 0.00 0.18 0.00 0.00 39.33 40.66 1pj3 h ASP 244 CO 0.10 0.06 -0.87 -0.09 -3.12 0.00 0.00 179.24 175.32 1pj3 h ARG 245 N 0.19 0.47 0.00 3.56 2.43 -1.31 -3.39 114.38 116.34 1pj3 h ARG 245 Ca 0.14 -0.60 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1pj3 h ARG 245 Cb 0.14 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1pj3 h ARG 245 CO -0.17 1.23 -1.04 0.66 -1.51 0.00 0.00 179.97 179.14 1pj3 n TYR 246 N -4.05 0.00 0.00 2.20 0.53 -0.22 -5.06 117.16 110.56 1pj3 n TYR 246 Ca -0.12 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.76 1pj3 n TYR 246 Cb 0.81 -0.08 0.00 0.00 -1.03 0.00 0.00 39.34 39.04 1pj3 n TYR 246 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1pj3 n GLY 247 N 1.43 3.38 0.30 2.72 0.00 0.99 -4.75 105.19 109.26 1pj3 n GLY 247 Ca 0.02 -1.56 0.17 0.00 0.00 0.00 0.00 46.02 44.66 1pj3 n GLY 247 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1pj3 h ARG 248 N 0.00 0.00 -0.51 1.61 2.43 -1.93 -1.55 114.38 114.42 1pj3 h ARG 248 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1pj3 h ARG 248 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1pj3 h ARG 248 CO 0.00 0.02 0.00 0.27 -1.51 0.00 0.00 179.97 178.75 1pj3 n ASN 249 N -3.56 2.76 -4.69 -3.80 0.23 -1.26 -3.93 115.26 101.01 1pj3 n ASN 249 Ca -0.03 -2.08 -0.42 0.00 -0.53 0.00 0.00 54.58 51.53 1pj3 n ASN 249 Cb 0.11 -0.36 -0.03 0.00 -2.08 0.00 0.00 39.78 37.42 1pj3 n ASN 249 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1pj3 s THR 250 N -1.46 2.62 -0.01 5.53 2.01 -0.58 -4.79 115.64 118.96 1pj3 s THR 250 Ca 0.32 0.06 -0.30 0.00 0.31 0.00 0.00 61.69 62.08 1pj3 s THR 250 Cb 0.18 -3.04 -0.06 0.00 0.01 0.00 0.00 72.50 69.59 1pj3 s THR 250 CO 0.20 -0.00 1.53 -0.22 -0.69 0.00 0.00 174.62 175.45 1pj3 s LEU 251 N 3.02 4.32 -0.28 4.42 0.20 -0.78 -4.30 118.68 125.28 1pj3 s LEU 251 Ca 0.82 2.22 0.01 0.00 0.69 0.00 0.00 54.13 57.87 1pj3 s LEU 251 Cb -0.45 -3.55 0.05 0.00 -0.43 0.00 0.00 46.19 41.81 1pj3 s LEU 251 CO 0.37 -0.83 -0.06 -0.63 -0.29 0.00 0.00 176.35 174.91 1pj3 s ILE 252 N 3.01 2.57 -0.33 6.68 -1.09 0.09 -0.51 121.20 131.63 1pj3 s ILE 252 Ca 0.69 -1.49 -0.12 0.00 -2.23 0.00 0.00 60.65 57.50 1pj3 s ILE 252 Cb -0.34 -2.49 -0.01 0.00 -1.58 0.00 0.00 42.46 38.04 1pj3 s ILE 252 CO 0.28 -0.05 0.21 -1.58 -1.23 0.00 0.00 174.94 172.57 1pj3 s GLN 253 N 1.18 3.45 0.09 2.79 0.74 0.13 -2.48 119.66 125.56 1pj3 s GLN 253 Ca -0.07 -0.67 -0.29 0.00 0.05 0.00 0.00 55.36 54.39 1pj3 s GLN 253 Cb -0.20 -3.72 -0.06 0.00 1.10 0.00 0.00 33.01 30.14 1pj3 s GLN 253 CO -0.03 -0.43 0.91 -0.06 -0.55 0.00 0.00 175.29 175.13 1pj3 s PHE 254 N 1.68 3.79 -0.02 1.67 0.40 -0.41 -0.97 117.98 124.12 1pj3 s PHE 254 Ca 0.06 1.71 -0.00 0.00 -0.60 0.00 0.00 56.93 58.10 1pj3 s PHE 254 Cb -0.17 -2.99 0.02 0.00 0.51 0.00 0.00 43.02 40.39 1pj3 s PHE 254 CO 0.09 0.23 0.03 -2.00 0.70 0.00 0.00 175.22 174.27 1pj3 s GLU 255 N -0.02 -0.02 -1.43 0.44 2.56 0.14 -1.93 118.70 118.43 1pj3 s GLU 255 Ca 0.45 0.15 -0.09 0.00 0.00 0.00 0.00 54.97 55.49 1pj3 s GLU 255 Cb -0.23 -0.19 0.05 0.00 2.00 0.00 0.00 34.13 35.77 1pj3 s GLU 255 CO 0.28 -0.13 0.92 -0.25 -0.56 0.00 0.00 175.26 175.52 1pj3 n ASP 256 N 3.92 -3.75 -4.94 -1.70 9.92 -1.26 -4.12 116.55 114.62 1pj3 n ASP 256 Ca -0.24 -0.76 -0.24 0.00 -0.53 0.00 0.00 54.79 53.02 1pj3 n ASP 256 Cb 0.52 -4.10 0.02 0.00 -0.64 0.00 0.00 41.12 36.92 1pj3 n ASP 256 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1pj3 s PHE 257 N -3.42 3.19 0.76 1.24 0.40 -1.26 -2.23 117.98 116.65 1pj3 s PHE 257 Ca 0.43 0.33 -0.12 0.00 -0.60 0.00 0.00 56.93 56.96 1pj3 s PHE 257 Cb -0.21 -2.50 0.05 0.00 0.51 0.00 0.00 43.02 40.87 1pj3 s PHE 257 CO 0.81 -0.57 1.11 0.20 0.70 0.00 0.00 175.22 177.48 1pj3 s GLY 258 N -4.27 1.85 0.15 4.36 0.00 -1.26 -4.42 107.32 103.73 1pj3 s GLY 258 Ca 0.51 0.43 -0.25 0.00 0.00 0.00 0.00 44.72 45.41 1pj3 s GLY 258 CO 0.40 0.79 1.60 -0.57 0.00 0.00 0.00 173.10 175.32 1pj3 h ASN 259 N -0.87 -1.09 0.09 1.64 -0.73 -1.97 0.34 115.58 112.98 1pj3 h ASN 259 Ca -0.45 0.17 0.02 0.00 1.87 0.00 0.00 56.30 57.92 1pj3 h ASN 259 Cb 1.24 0.48 -0.03 0.00 0.27 0.00 0.00 38.32 40.29 1pj3 h ASN 259 CO 0.51 -0.35 -0.21 -0.74 -0.37 0.00 0.00 177.43 176.27 1pj3 h HIS 260 N -0.33 -0.56 -0.63 0.67 2.76 -2.02 -2.95 115.15 112.08 1pj3 h HIS 260 Ca 0.13 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 1pj3 h HIS 260 Cb 0.55 0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.71 1pj3 h HIS 260 CO -0.49 -0.30 0.36 -0.91 -1.30 0.00 0.00 177.93 175.29 1pj3 h ASN 261 N -0.38 0.77 0.24 3.26 -0.26 -1.88 -2.90 115.58 114.43 1pj3 h ASN 261 Ca 0.03 -0.05 0.01 0.00 -0.56 0.00 0.00 56.30 55.73 1pj3 h ASN 261 Cb 0.42 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.46 1pj3 h ASN 261 CO -0.13 0.61 -0.31 0.00 -1.06 0.00 0.00 177.43 176.54 1pj3 h ALA 262 N 1.52 -0.61 0.18 -0.83 0.00 -0.75 -1.22 119.26 117.54 1pj3 h ALA 262 Ca 0.23 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1pj3 h ALA 262 Cb 0.00 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1pj3 h ALA 262 CO -0.04 -0.88 -0.08 0.74 0.00 0.00 0.00 179.25 178.98 1pj3 h PHE 263 N -0.60 -0.22 -0.53 0.00 -1.00 -1.55 -2.28 116.94 110.76 1pj3 h PHE 263 Ca 0.00 -0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.80 1pj3 h PHE 263 Cb 0.58 0.07 -0.03 0.00 3.61 0.00 0.00 35.95 40.18 1pj3 h PHE 263 CO -0.22 0.08 0.35 0.07 -1.61 0.00 0.00 178.31 176.98 1pj3 h ARG 264 N -0.52 0.63 -0.13 1.51 0.11 -1.52 -0.00 114.38 114.46 1pj3 h ARG 264 Ca -0.02 -0.04 -0.20 0.00 0.10 0.00 0.00 59.98 59.81 1pj3 h ARG 264 Cb 0.40 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 31.34 1pj3 h ARG 264 CO 0.04 0.42 -0.75 0.74 0.10 0.00 0.00 179.97 180.52 1pj3 h PHE 265 N 0.65 0.85 -0.37 4.08 0.05 -1.24 -0.45 116.94 120.51 1pj3 h PHE 265 Ca 0.20 -0.37 -0.02 0.00 3.82 0.00 0.00 57.97 61.61 1pj3 h PHE 265 Cb 0.03 -0.13 -0.02 0.00 2.00 0.00 0.00 35.95 37.83 1pj3 h PHE 265 CO -0.00 1.17 0.16 1.25 -0.18 0.00 0.00 178.31 180.71 1pj3 h LEU 266 N 0.43 0.50 -0.71 1.54 5.85 -0.72 -0.97 115.31 121.23 1pj3 h LEU 266 Ca -0.04 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.41 1pj3 h LEU 266 Cb 1.35 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1pj3 h LEU 266 CO 0.14 0.51 -0.23 -0.09 -0.34 0.00 0.00 178.44 178.44 1pj3 h ARG 267 N 0.45 0.75 -0.15 1.25 2.43 -1.00 -1.04 114.38 117.07 1pj3 h ARG 267 Ca 0.12 -0.30 -0.15 0.00 -0.81 0.00 0.00 59.98 58.84 1pj3 h ARG 267 Cb 0.16 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1pj3 h ARG 267 CO -0.01 0.91 -0.54 -0.22 -1.51 0.00 0.00 179.97 178.59 1pj3 h LYS 268 N 0.65 0.44 0.00 0.20 3.64 -0.85 -3.38 116.57 117.26 1pj3 h LYS 268 Ca 0.09 -0.27 -0.11 0.00 -1.27 0.00 0.00 60.65 59.09 1pj3 h LYS 268 Cb 0.73 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1pj3 h LYS 268 CO 0.06 0.87 -1.77 0.66 -2.27 0.00 0.00 179.45 176.99 1pj3 n TYR 269 N -3.95 0.00 0.31 1.91 0.53 -0.39 -4.67 117.16 110.91 1pj3 n TYR 269 Ca -0.03 0.00 0.14 0.00 -1.02 0.00 0.00 57.90 56.99 1pj3 n TYR 269 Cb 0.59 -0.48 0.74 0.00 -1.03 0.00 0.00 39.34 39.16 1pj3 n TYR 269 CO 0.00 0.00 0.00 0.07 -1.02 0.00 0.00 176.86 175.91 1pj3 h ARG 270 N 0.00 0.00 -0.09 -0.72 0.11 -1.37 0.20 114.38 112.50 1pj3 h ARG 270 Ca -0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.92 1pj3 h ARG 270 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 1pj3 h ARG 270 CO 0.01 0.00 0.00 0.39 0.10 0.00 0.00 179.97 180.47 1pj3 n GLU 271 N -2.76 1.41 -0.01 0.08 -0.58 -1.26 -4.39 120.64 113.12 1pj3 n GLU 271 Ca -0.02 -1.55 -0.01 0.00 -0.42 0.00 0.00 57.16 55.16 1pj3 n GLU 271 Cb 0.39 -1.31 -0.03 0.00 -0.57 0.00 0.00 31.44 29.92 1pj3 n GLU 271 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1pj3 n LYS 272 N 0.88 2.60 -4.38 3.49 4.81 0.42 -5.06 118.16 120.92 1pj3 n LYS 272 Ca 0.10 -0.01 -0.19 0.00 -0.87 0.00 0.00 58.31 57.34 1pj3 n LYS 272 Cb 0.40 -1.09 -0.10 0.00 0.02 0.00 0.00 35.03 34.26 1pj3 n LYS 272 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1pj3 s TYR 273 N -2.13 1.73 -0.83 5.64 1.51 0.29 -5.06 117.35 118.50 1pj3 s TYR 273 Ca -0.02 -1.08 -0.19 0.00 -1.01 0.00 0.00 57.07 54.77 1pj3 s TYR 273 Cb 0.01 -1.07 0.12 0.00 -0.11 0.00 0.00 41.96 40.91 1pj3 s TYR 273 CO 0.15 -0.18 1.03 0.00 -1.11 0.00 0.00 175.55 175.44 1pj3 s THR 275 N 2.85 0.11 0.19 0.00 -1.32 -1.26 -0.73 115.64 115.47 1pj3 s THR 275 Ca 0.27 -0.89 -0.20 0.00 -1.21 0.00 0.00 61.69 59.67 1pj3 s THR 275 Cb -0.10 -1.02 0.04 0.00 -1.51 0.00 0.00 72.50 69.91 1pj3 s THR 275 CO -0.04 -0.49 0.56 0.72 -2.21 0.00 0.00 174.62 173.17 1pj3 s PHE 276 N -2.89 -0.28 -0.29 9.09 -0.12 -1.03 -4.54 117.98 117.92 1pj3 s PHE 276 Ca -0.03 -0.03 -0.06 0.00 -0.05 0.00 0.00 56.93 56.76 1pj3 s PHE 276 Cb 0.00 0.48 0.01 0.00 -0.63 0.00 0.00 43.02 42.89 1pj3 s PHE 276 CO -0.06 -0.92 0.05 1.21 -0.05 0.00 0.00 175.22 175.46 1pj3 s ASN 277 N -2.83 4.96 0.28 1.98 3.84 -1.26 -1.29 114.94 120.62 1pj3 s ASN 277 Ca 0.06 -0.76 -0.01 0.00 0.21 0.00 0.00 52.86 52.37 1pj3 s ASN 277 Cb -0.01 -1.83 0.47 0.00 -0.55 0.00 0.00 41.25 39.32 1pj3 s ASN 277 CO -0.06 -0.18 1.89 -0.78 -2.79 0.00 0.00 177.10 175.18 1pj3 h ASP 278 N 8.18 0.98 -0.41 -4.21 3.58 -1.74 -0.24 116.42 122.57 1pj3 h ASP 278 Ca -0.31 0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.06 1pj3 h ASP 278 Cb 1.12 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.95 1pj3 h ASP 278 CO 0.60 0.62 -0.04 0.44 -2.88 0.00 0.00 179.24 177.97 1pj3 h ASP 279 N 1.11 0.80 0.00 2.28 3.32 -1.95 -0.18 116.42 121.80 1pj3 h ASP 279 Ca 0.43 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 1pj3 h ASP 279 Cb 0.21 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1pj3 h ASP 279 CO -0.17 0.90 -0.26 0.40 -1.72 0.00 0.00 179.24 178.38 1pj3 h ILE 280 N 0.76 0.29 0.19 0.35 2.04 -1.69 -3.33 117.51 116.11 1pj3 h ILE 280 Ca 0.14 -1.26 -0.33 0.00 1.00 0.00 0.00 64.86 64.41 1pj3 h ILE 280 Cb 0.52 0.59 0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1pj3 h ILE 280 CO 0.03 0.10 -1.59 1.56 0.00 0.00 0.00 178.15 178.24 1pj3 h GLN 281 N -1.00 0.40 -0.42 2.37 4.20 -1.16 -3.11 115.11 116.39 1pj3 h GLN 281 Ca -0.03 -0.68 -0.11 0.00 0.06 0.00 0.00 58.65 57.89 1pj3 h GLN 281 Cb 0.38 0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 1pj3 h GLN 281 CO -0.02 1.30 -0.17 0.78 -0.67 0.00 0.00 178.83 180.06 1pj3 h GLY 282 N 0.81 0.93 1.24 3.46 0.00 -1.12 -2.77 103.07 105.61 1pj3 h GLY 282 Ca -0.28 -0.81 -0.09 0.00 0.00 0.00 0.00 47.33 46.14 1pj3 h GLY 282 CO 0.21 0.74 -0.05 -0.84 0.00 0.00 0.00 176.54 176.60 1pj3 h THR 283 N 0.67 1.26 -0.36 4.70 2.02 -1.61 -2.61 112.91 116.99 1pj3 h THR 283 Ca 0.10 -1.14 0.07 0.00 0.77 0.00 0.00 66.41 66.20 1pj3 h THR 283 Cb 0.73 0.91 -0.06 0.00 -1.74 0.00 0.00 68.15 67.98 1pj3 h THR 283 CO 0.06 0.40 -0.05 0.00 0.37 0.00 0.00 175.52 176.30 1pj3 h ALA 284 N 1.11 0.28 -0.59 6.16 0.00 -1.45 -1.34 119.26 123.42 1pj3 h ALA 284 Ca 0.15 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 1pj3 h ALA 284 Cb 0.56 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1pj3 h ALA 284 CO 0.03 -0.43 0.04 0.00 0.00 0.00 0.00 179.25 178.88 1pj3 h ALA 285 N 1.34 0.79 -0.25 0.00 0.00 -1.27 -1.67 119.26 118.20 1pj3 h ALA 285 Ca 0.17 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1pj3 h ALA 285 Cb 0.26 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1pj3 h ALA 285 CO -0.34 0.60 -0.33 -0.24 0.00 0.00 0.00 179.25 178.94 1pj3 h VAL 286 N 0.92 1.31 -0.02 0.00 3.04 -1.21 -1.20 116.25 119.08 1pj3 h VAL 286 Ca 0.17 -1.52 -0.00 0.00 -1.01 0.00 0.00 66.70 64.34 1pj3 h VAL 286 Cb 0.51 1.69 -0.00 0.00 -2.01 0.00 0.00 31.29 31.48 1pj3 h VAL 286 CO 0.02 0.48 0.01 0.00 -1.01 0.00 0.00 177.57 177.07 1pj3 h ALA 287 N 0.66 0.03 -0.50 3.17 0.00 -1.24 -1.78 119.26 119.60 1pj3 h ALA 287 Ca 0.03 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1pj3 h ALA 287 Cb 0.91 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 1pj3 h ALA 287 CO 0.08 -0.42 0.19 1.25 0.00 0.00 0.00 179.25 180.35 1pj3 h LEU 288 N -0.08 0.20 -1.68 0.00 5.85 -1.31 0.73 115.31 119.02 1pj3 h LEU 288 Ca 0.01 0.06 0.14 0.00 0.84 0.00 0.00 57.88 58.92 1pj3 h LEU 288 Cb 0.11 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1pj3 h LEU 288 CO -0.00 0.14 0.46 0.00 -0.34 0.00 0.00 178.44 178.70 1pj3 h ALA 289 N 1.33 2.18 -0.18 1.25 0.00 -0.88 0.11 119.26 123.06 1pj3 h ALA 289 Ca 0.24 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.96 1pj3 h ALA 289 Cb 0.24 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1pj3 h ALA 289 CO -0.23 -0.35 -0.61 0.78 0.00 0.00 0.00 179.25 178.84 1pj3 h GLY 290 N 0.33 0.81 1.16 0.00 0.00 -0.01 -2.38 103.07 102.98 1pj3 h GLY 290 Ca 0.32 -1.06 -0.10 0.00 0.00 0.00 0.00 47.33 46.49 1pj3 h GLY 290 CO -0.08 0.95 -0.05 1.41 0.00 0.00 0.00 176.54 178.76 1pj3 h LEU 291 N 0.45 0.98 -1.59 3.11 4.07 -0.19 -0.76 115.31 121.37 1pj3 h LEU 291 Ca -0.02 -0.29 -0.04 0.00 0.08 0.00 0.00 57.88 57.60 1pj3 h LEU 291 Cb 1.23 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 1pj3 h LEU 291 CO 0.13 1.06 -0.21 -0.07 -1.08 0.00 0.00 178.44 178.27 1pj3 h LEU 292 N 0.90 0.00 -0.14 1.67 4.07 -0.83 -1.08 115.31 119.90 1pj3 h LEU 292 Ca 0.15 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.90 1pj3 h LEU 292 Cb 0.59 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.32 1pj3 h LEU 292 CO 0.04 0.21 -0.98 0.00 -1.08 0.00 0.00 178.44 176.62 1pj3 h ALA 293 N 1.79 0.39 0.00 1.53 0.00 -0.94 -3.21 119.26 118.82 1pj3 h ALA 293 Ca -0.00 -0.79 -0.05 0.00 0.00 0.00 0.00 54.91 54.07 1pj3 h ALA 293 Cb 0.37 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1pj3 h ALA 293 CO 0.03 0.97 -0.22 0.00 0.00 0.00 0.00 179.25 180.03 1pj3 h ALA 294 N 0.87 1.09 0.00 0.00 0.00 0.06 -2.58 119.26 118.70 1pj3 h ALA 294 Ca -0.06 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1pj3 h ALA 294 Cb 1.66 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1pj3 h ALA 294 CO 0.15 0.28 -0.46 0.37 0.00 0.00 0.00 179.25 179.59 1pj3 h GLN 295 N 0.00 0.00 0.00 0.00 5.75 -1.30 -0.94 115.11 118.62 1pj3 h GLN 295 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1pj3 h GLN 295 Cb 0.66 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.21 1pj3 h GLN 295 CO 0.03 0.46 0.00 1.63 -2.65 0.00 0.00 178.83 178.30 1pj3 n LYS 296 N -3.69 0.13 -0.00 1.69 4.76 -0.97 -0.18 118.16 119.90 1pj3 n LYS 296 Ca -0.01 0.48 0.02 0.00 -2.87 0.00 0.00 58.31 55.93 1pj3 n LYS 296 Cb 0.53 -1.81 -0.03 0.00 -1.84 0.00 0.00 35.03 31.88 1pj3 n LYS 296 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1pj3 n VAL 297 N -2.07 0.00 -0.13 -0.18 0.24 -0.90 -4.79 118.33 110.50 1pj3 n VAL 297 Ca 0.01 -0.23 -0.28 0.00 -2.04 0.00 0.00 64.34 61.80 1pj3 n VAL 297 Cb 0.14 0.67 -0.09 0.00 -1.47 0.00 0.00 33.84 33.08 1pj3 n VAL 297 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1pj3 n ILE 298 N -1.40 1.43 0.00 1.34 2.08 -0.41 -4.97 119.36 117.43 1pj3 n ILE 298 Ca -0.00 -0.37 0.00 0.00 0.56 0.00 0.00 62.75 62.94 1pj3 n ILE 298 Cb 0.09 -1.85 0.00 0.00 -0.75 0.00 0.00 39.64 37.13 1pj3 n ILE 298 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1pj3 n SER 299 N -4.15 0.00 -3.91 4.38 7.64 0.75 -4.94 113.62 113.38 1pj3 n SER 299 Ca -0.51 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 58.97 1pj3 n SER 299 Cb 0.87 -0.16 -0.01 0.00 -1.01 0.00 0.00 64.21 63.90 1pj3 n SER 299 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1pj3 n LYS 300 N -1.15 0.00 -2.04 1.43 4.81 -1.26 -4.88 118.16 115.07 1pj3 n LYS 300 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.03 1pj3 n LYS 300 Cb 0.00 -0.90 -0.02 0.00 0.02 0.00 0.00 35.03 34.13 1pj3 n LYS 300 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1pj3 s PRO 301 N -0.90 4.29 0.64 1.64 0.02 -1.26 -4.88 135.00 134.55 1pj3 s PRO 301 Ca 0.55 2.30 0.36 0.00 0.02 0.00 0.00 61.00 64.23 1pj3 s PRO 301 Cb -0.68 -3.06 1.98 0.00 0.02 0.00 0.00 34.50 32.77 1pj3 s PRO 301 CO 0.54 -0.29 2.18 0.97 -0.33 0.00 0.00 177.00 180.07 1pj3 h ILE 302 N 3.10 0.17 0.00 2.83 6.09 -1.96 0.45 117.51 128.19 1pj3 h ILE 302 Ca -0.49 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.00 1pj3 h ILE 302 Cb 1.23 0.87 0.00 0.00 0.47 0.00 0.00 36.82 39.39 1pj3 h ILE 302 CO 0.67 0.00 0.00 -1.54 -3.07 0.00 0.00 178.15 174.21 1pj3 n SER 303 N -3.28 0.62 -0.60 2.19 3.41 -1.26 -1.98 113.62 112.71 1pj3 n SER 303 Ca -0.02 0.64 0.06 0.00 -0.26 0.00 0.00 58.87 59.29 1pj3 n SER 303 Cb 0.22 -0.78 0.12 0.00 -0.26 0.00 0.00 64.21 63.51 1pj3 n SER 303 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pj3 n GLU 304 N -2.17 2.07 -3.09 4.33 4.71 0.16 -4.94 120.64 121.70 1pj3 n GLU 304 Ca 0.03 -1.77 -0.43 0.00 -0.01 0.00 0.00 57.16 54.98 1pj3 n GLU 304 Cb 0.25 -1.26 -0.06 0.00 -1.01 0.00 0.00 31.44 29.35 1pj3 n GLU 304 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 1pj3 s HIS 305 N -0.99 3.04 -0.20 -0.32 3.76 -0.84 -4.79 115.29 114.94 1pj3 s HIS 305 Ca 0.21 -0.12 0.02 0.00 -0.15 0.00 0.00 55.06 55.01 1pj3 s HIS 305 Cb 0.12 -3.43 0.03 0.00 1.11 0.00 0.00 32.58 30.41 1pj3 s HIS 305 CO 0.16 -0.93 -0.16 0.21 -0.85 0.00 0.00 174.74 173.17 1pj3 s LYS 306 N 2.88 2.65 -0.12 1.40 2.47 -1.26 -4.83 119.74 122.93 1pj3 s LYS 306 Ca 0.22 -0.97 -0.06 0.00 -1.56 0.00 0.00 55.97 53.61 1pj3 s LYS 306 Cb -0.15 -2.62 -0.04 0.00 -1.46 0.00 0.00 37.83 33.56 1pj3 s LYS 306 CO 0.18 -0.33 0.08 0.42 0.16 0.00 0.00 175.35 175.86 1pj3 s ILE 307 N 1.26 5.03 -0.13 5.43 1.09 0.05 -0.98 121.20 132.95 1pj3 s ILE 307 Ca 0.00 0.03 -0.00 0.00 -1.10 0.00 0.00 60.65 59.59 1pj3 s ILE 307 Cb -0.15 -3.19 0.02 0.00 -1.06 0.00 0.00 42.46 38.09 1pj3 s ILE 307 CO -0.10 0.58 -0.11 -0.22 -0.10 0.00 0.00 174.94 174.99 1pj3 s LEU 308 N -0.70 1.44 -0.07 2.97 2.96 -0.15 -0.77 118.68 124.36 1pj3 s LEU 308 Ca 0.12 -0.40 -0.14 0.00 -0.22 0.00 0.00 54.13 53.50 1pj3 s LEU 308 Cb -0.12 -1.01 -0.05 0.00 0.50 0.00 0.00 46.19 45.51 1pj3 s LEU 308 CO 0.03 -0.09 0.35 -0.36 -1.32 0.00 0.00 176.35 174.96 1pj3 s PHE 309 N 1.59 3.63 -0.45 5.38 0.08 -0.16 -1.65 117.98 126.40 1pj3 s PHE 309 Ca 0.05 0.83 -0.16 0.00 0.12 0.00 0.00 56.93 57.76 1pj3 s PHE 309 Cb -0.13 -2.29 0.04 0.00 -0.57 0.00 0.00 43.02 40.08 1pj3 s PHE 309 CO -0.09 0.51 0.42 -1.17 -0.10 0.00 0.00 175.22 174.79 1pj3 s LEU 310 N -0.51 5.18 0.00 -0.37 2.96 0.14 -1.28 118.68 124.79 1pj3 s LEU 310 Ca 0.21 -0.97 0.00 0.00 -0.22 0.00 0.00 54.13 53.15 1pj3 s LEU 310 Cb -0.15 -2.28 0.00 0.00 0.50 0.00 0.00 46.19 44.26 1pj3 s LEU 310 CO 0.10 -0.62 0.00 0.61 -1.32 0.00 0.00 176.35 175.12 1pj3 n GLY 311 N 5.16 2.58 2.78 7.98 0.00 0.13 -1.40 105.19 122.41 1pj3 n GLY 311 Ca -0.10 -1.72 -0.03 0.00 0.00 0.00 0.00 46.02 44.17 1pj3 n GLY 311 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pj3 n ALA 312 N 1.06 2.76 -2.31 4.61 0.00 -1.26 -4.45 120.51 120.91 1pj3 n ALA 312 Ca 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 53.44 50.84 1pj3 n ALA 312 Cb 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1pj3 n ALA 312 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj3 n GLY 313 N -0.57 2.91 0.45 0.00 0.00 -1.26 -4.69 105.19 102.02 1pj3 n GLY 313 Ca 0.05 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.10 1pj3 n GLY 313 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pj3 h GLU 314 N 0.00 -0.42 -0.25 1.61 5.08 -1.93 0.28 114.58 118.95 1pj3 h GLU 314 Ca 0.00 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1pj3 h GLU 314 Cb 0.00 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1pj3 h GLU 314 CO 0.00 -0.28 0.08 0.00 -1.00 0.00 0.00 179.01 177.82 1pj3 h ALA 315 N -0.00 0.33 0.07 3.43 0.00 -1.88 -1.59 119.26 119.61 1pj3 h ALA 315 Ca 0.08 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1pj3 h ALA 315 Cb 0.62 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1pj3 h ALA 315 CO -0.55 -0.05 -0.09 0.00 0.00 0.00 0.00 179.25 178.56 1pj3 h ALA 316 N 0.91 -0.15 -0.51 0.00 0.00 -1.79 -1.00 119.26 116.72 1pj3 h ALA 316 Ca 0.08 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1pj3 h ALA 316 Cb 0.23 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1pj3 h ALA 316 CO -0.00 -0.60 0.09 -0.07 0.00 0.00 0.00 179.25 178.67 1pj3 h LEU 317 N -0.19 0.81 -0.21 0.00 3.38 -0.98 0.95 115.31 119.08 1pj3 h LEU 317 Ca 0.01 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.74 1pj3 h LEU 317 Cb 0.19 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1pj3 h LEU 317 CO -0.04 0.86 0.09 1.23 0.09 0.00 0.00 178.44 180.66 1pj3 h GLY 318 N 0.73 0.27 0.90 0.83 0.00 -1.15 -0.75 103.07 103.89 1pj3 h GLY 318 Ca 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 1pj3 h GLY 318 CO 0.01 0.05 0.09 -2.22 0.00 0.00 0.00 176.54 174.47 1pj3 h ILE 319 N 0.20 1.17 -0.39 2.60 2.04 -1.00 -2.06 117.51 120.07 1pj3 h ILE 319 Ca 0.09 -0.51 0.05 0.00 1.00 0.00 0.00 64.86 65.48 1pj3 h ILE 319 Cb 0.04 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 1pj3 h ILE 319 CO -0.07 0.17 0.11 0.00 0.00 0.00 0.00 178.15 178.36 1pj3 h ALA 320 N 0.93 0.44 -0.66 1.87 0.00 -0.63 0.26 119.26 121.48 1pj3 h ALA 320 Ca 0.08 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1pj3 h ALA 320 Cb 0.18 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1pj3 h ALA 320 CO -0.01 -0.28 0.26 -0.91 0.00 0.00 0.00 179.25 178.31 1pj3 h ASN 321 N 0.26 0.90 -0.00 0.00 2.35 -1.00 -1.46 115.58 116.62 1pj3 h ASN 321 Ca 0.18 -0.13 -0.18 0.00 -0.55 0.00 0.00 56.30 55.63 1pj3 h ASN 321 Cb 0.18 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 1pj3 h ASN 321 CO -0.21 0.80 -0.62 0.25 -1.65 0.00 0.00 177.43 176.01 1pj3 h LEU 322 N 0.96 0.70 -0.48 1.61 6.46 -0.82 -3.03 115.31 120.71 1pj3 h LEU 322 Ca 0.22 -0.40 -0.01 0.00 -0.12 0.00 0.00 57.88 57.57 1pj3 h LEU 322 Cb 0.19 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 39.90 1pj3 h LEU 322 CO -0.02 1.15 0.26 0.40 -0.62 0.00 0.00 178.44 179.61 1pj3 h ILE 323 N 0.45 1.17 0.00 4.05 2.04 -0.68 -2.07 117.51 122.47 1pj3 h ILE 323 Ca -0.01 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1pj3 h ILE 323 Cb 1.19 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1pj3 h ILE 323 CO 0.12 0.17 0.00 0.52 0.00 0.00 0.00 178.15 178.96 1pj3 n VAL 324 N -4.68 0.00 -0.55 1.67 0.31 -0.58 -4.68 118.33 109.83 1pj3 n VAL 324 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1pj3 n VAL 324 Cb 0.08 -0.32 0.00 0.00 -0.91 0.00 0.00 33.84 32.69 1pj3 n VAL 324 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1pj3 n SER 326 N 0.80 -0.08 0.00 4.52 2.88 -0.78 -4.54 113.62 116.42 1pj3 n SER 326 Ca 0.00 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1pj3 n SER 326 Cb 0.00 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 1pj3 n SER 326 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1pj3 n VAL 328 N -0.48 0.00 0.20 2.46 0.31 -1.25 -1.96 118.33 117.61 1pj3 n VAL 328 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.44 1pj3 n VAL 328 Cb 0.04 0.00 0.66 0.00 -0.91 0.00 0.00 33.84 33.62 1pj3 n VAL 328 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1pj3 h GLU 329 N 0.00 0.00 -0.71 5.55 4.81 -1.83 -2.00 114.58 120.40 1pj3 h GLU 329 Ca 0.00 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.00 1pj3 h GLU 329 Cb 0.00 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.24 1pj3 h GLU 329 CO 0.00 0.00 0.27 0.09 -0.73 0.00 0.00 179.01 178.64 1pj3 n ASN 330 N -4.49 4.56 0.00 1.04 5.03 -0.83 -4.99 115.26 115.58 1pj3 n ASN 330 Ca 0.00 -3.28 0.00 0.00 0.87 0.00 0.00 54.58 52.17 1pj3 n ASN 330 Cb 0.22 -0.74 0.00 0.00 -1.02 0.00 0.00 39.78 38.24 1pj3 n ASN 330 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1pj3 n GLY 331 N -0.32 2.21 3.33 7.41 0.00 -0.75 -5.11 105.19 111.97 1pj3 n GLY 331 Ca 0.41 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 1pj3 n GLY 331 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pj3 n LEU 332 N 0.00 -1.48 -4.93 0.99 4.32 -1.26 -4.87 117.00 109.78 1pj3 n LEU 332 Ca 0.00 0.55 -0.27 0.00 -0.02 0.00 0.00 56.01 56.27 1pj3 n LEU 332 Cb 0.00 -1.04 0.10 0.00 -1.62 0.00 0.00 43.42 40.85 1pj3 n LEU 332 CO 0.00 -4.03 0.70 -0.94 -1.22 0.00 0.00 177.39 171.90 1pj3 s SER 333 N -1.26 4.41 0.05 -1.43 1.04 -1.26 -3.82 113.70 111.42 1pj3 s SER 333 Ca 0.59 0.44 -0.28 0.00 0.48 0.00 0.00 55.95 57.19 1pj3 s SER 333 Cb -0.37 -0.92 -0.17 0.00 0.10 0.00 0.00 66.02 64.66 1pj3 s SER 333 CO 0.64 -1.89 1.48 -0.08 0.98 0.00 0.00 173.24 174.36 1pj3 h GLU 334 N -0.89 -0.50 -0.43 4.02 4.81 -1.94 -2.52 114.58 117.14 1pj3 h GLU 334 Ca -0.44 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 58.90 1pj3 h GLU 334 Cb 1.30 0.11 -0.09 0.00 0.63 0.00 0.00 28.75 30.70 1pj3 h GLU 334 CO 0.56 -0.25 -0.38 1.96 -0.73 0.00 0.00 179.01 180.18 1pj3 h GLN 335 N -0.67 -0.27 -0.59 1.92 1.08 -1.99 -0.08 115.11 114.52 1pj3 h GLN 335 Ca -0.05 0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 1pj3 h GLN 335 Cb 0.48 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.94 1pj3 h GLN 335 CO 0.09 -0.18 0.25 1.05 -0.95 0.00 0.00 178.83 179.08 1pj3 h GLU 336 N -0.28 0.85 -0.10 1.46 4.11 -1.95 -1.91 114.58 116.75 1pj3 h GLU 336 Ca 0.16 -0.12 -0.02 0.00 0.07 0.00 0.00 59.36 59.45 1pj3 h GLU 336 Cb 0.56 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1pj3 h GLU 336 CO -0.57 0.68 0.00 0.00 0.07 0.00 0.00 179.01 179.19 1pj3 h ALA 337 N 1.43 0.14 -0.03 1.06 0.00 -0.90 -2.83 119.26 118.13 1pj3 h ALA 337 Ca 0.20 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1pj3 h ALA 337 Cb 0.15 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1pj3 h ALA 337 CO -0.02 -0.18 0.03 1.96 0.00 0.00 0.00 179.25 181.04 1pj3 h GLN 338 N -0.09 0.00 0.00 0.00 4.20 -0.78 -1.11 115.11 117.34 1pj3 h GLN 338 Ca 0.03 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 1pj3 h GLN 338 Cb 0.34 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 1pj3 h GLN 338 CO 0.00 0.00 -0.12 0.87 -0.67 0.00 0.00 178.83 178.92 1pj3 h LYS 339 N 0.00 0.00 -0.13 1.46 6.56 -1.09 -2.58 116.57 120.79 1pj3 h LYS 339 Ca 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1pj3 h LYS 339 Cb 0.08 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.74 1pj3 h LYS 339 CO -0.00 0.12 0.00 1.63 -2.06 0.00 0.00 179.45 179.14 1pj3 n LYS 340 N -3.40 1.39 -4.61 3.15 5.02 -0.42 -4.81 118.16 114.49 1pj3 n LYS 340 Ca -0.01 -0.60 -0.31 0.00 -2.02 0.00 0.00 58.31 55.36 1pj3 n LYS 340 Cb 0.29 -1.26 -0.17 0.00 -0.02 0.00 0.00 35.03 33.88 1pj3 n LYS 340 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1pj3 s ILE 341 N -1.83 1.91 0.00 -0.18 1.01 -0.97 -0.77 121.20 120.37 1pj3 s ILE 341 Ca 0.22 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.98 1pj3 s ILE 341 Cb 0.11 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.88 1pj3 s ILE 341 CO 0.17 0.52 0.00 0.79 0.00 0.00 0.00 174.94 176.42 1pj3 n TRP 342 N 4.11 -0.03 0.00 3.97 7.02 0.05 -4.80 117.44 127.75 1pj3 n TRP 342 Ca -0.20 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.28 1pj3 n TRP 342 Cb 0.51 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.40 1pj3 n TRP 342 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1pj3 n PHE 344 N -0.01 0.00 -2.61 -5.99 7.35 -0.41 -0.99 117.46 114.81 1pj3 n PHE 344 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1pj3 n PHE 344 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1pj3 n PHE 344 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1pj3 n ASP 345 N 0.00 0.41 0.03 -2.13 5.68 -0.56 0.19 116.55 120.17 1pj3 n ASP 345 Ca 0.00 -0.40 0.03 0.00 -0.50 0.00 0.00 54.79 53.92 1pj3 n ASP 345 Cb 0.00 0.00 0.13 0.00 -1.14 0.00 0.00 41.12 40.11 1pj3 n ASP 345 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1pj3 n LYS 346 N -0.32 0.02 0.00 0.11 2.85 -1.26 -1.01 118.16 118.56 1pj3 n LYS 346 Ca 0.00 0.49 0.07 0.00 -1.05 0.00 0.00 58.31 57.82 1pj3 n LYS 346 Cb 0.00 -1.57 -0.03 0.00 -0.65 0.00 0.00 35.03 32.78 1pj3 n LYS 346 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1pj3 n TYR 347 N -1.63 0.00 0.00 5.58 4.02 -1.26 -5.10 117.16 118.77 1pj3 n TYR 347 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1pj3 n TYR 347 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 1pj3 n TYR 347 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pj3 n GLY 348 N 1.17 0.19 3.76 2.72 0.00 -0.18 -4.99 105.19 107.85 1pj3 n GLY 348 Ca 0.05 -2.28 -0.41 0.00 0.00 0.00 0.00 46.02 43.38 1pj3 n GLY 348 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pj3 s LEU 349 N 0.00 4.36 -0.70 0.99 2.96 -1.26 -1.50 118.68 123.52 1pj3 s LEU 349 Ca 0.00 2.88 -0.26 0.00 -0.22 0.00 0.00 54.13 56.54 1pj3 s LEU 349 Cb 0.00 -3.64 0.04 0.00 0.50 0.00 0.00 46.19 43.09 1pj3 s LEU 349 CO 0.00 -0.83 1.17 -0.76 -1.32 0.00 0.00 176.35 174.61 1pj3 s LEU 350 N -0.88 3.58 0.09 -0.68 1.43 -1.26 -4.93 118.68 116.04 1pj3 s LEU 350 Ca 0.59 -0.57 0.10 0.00 -1.03 0.00 0.00 54.13 53.22 1pj3 s LEU 350 Cb -0.46 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.16 1pj3 s LEU 350 CO 0.50 -1.67 -0.25 0.68 0.23 0.00 0.00 176.35 175.84 1pj3 s VAL 351 N 5.12 2.09 0.27 -1.59 -7.23 -1.26 -3.38 120.40 114.41 1pj3 s VAL 351 Ca 0.32 -1.56 -0.30 0.00 -1.81 0.00 0.00 61.98 58.62 1pj3 s VAL 351 Cb -0.11 -1.83 -0.13 0.00 0.56 0.00 0.00 36.38 34.88 1pj3 s VAL 351 CO 0.14 0.17 1.47 0.29 -0.31 0.00 0.00 175.10 176.86 1pj3 n LYS 352 N 1.30 2.30 -0.53 4.82 5.02 0.03 -2.08 118.16 129.01 1pj3 n LYS 352 Ca -0.18 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 1pj3 n LYS 352 Cb 0.53 -2.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.02 1pj3 n LYS 352 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pj3 n GLY 353 N 2.04 1.72 3.48 0.72 0.00 -1.26 -4.66 105.19 107.23 1pj3 n GLY 353 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1pj3 n GLY 353 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1pj3 n ARG 354 N -2.00 -0.58 -0.17 1.61 1.85 -0.88 -4.90 116.66 111.59 1pj3 n ARG 354 Ca 0.00 -0.12 -0.10 0.00 -1.00 0.00 0.00 57.85 56.62 1pj3 n ARG 354 Cb 0.00 -2.02 0.02 0.00 -1.05 0.00 0.00 32.46 29.41 1pj3 n ARG 354 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 1pj3 h LYS 355 N -1.78 1.00 -6.93 2.89 1.63 -1.95 -3.44 116.57 107.99 1pj3 h LYS 355 Ca -0.45 -0.40 -0.52 0.00 -0.85 0.00 0.00 60.65 58.43 1pj3 h LYS 355 Cb 1.29 -0.05 0.07 0.00 -0.60 0.00 0.00 32.23 32.94 1pj3 h LYS 355 CO 0.37 1.08 0.59 0.00 -3.45 0.00 0.00 179.45 178.04 1pj3 s ALA 356 N -4.77 3.27 0.76 5.00 0.00 -1.26 -4.97 121.76 119.80 1pj3 s ALA 356 Ca -0.11 1.17 -0.15 0.00 0.00 0.00 0.00 51.96 52.87 1pj3 s ALA 356 Cb 0.13 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.81 1pj3 s ALA 356 CO 0.87 -0.72 0.87 1.17 0.00 0.00 0.00 175.76 177.95 1pj3 n LYS 357 N 0.23 0.30 -3.67 0.00 3.00 -1.26 -5.01 118.16 111.76 1pj3 n LYS 357 Ca 0.03 0.16 -0.25 0.00 -0.00 0.00 0.00 58.31 58.25 1pj3 n LYS 357 Cb 0.44 -2.15 -0.17 0.00 0.00 0.00 0.00 35.03 33.15 1pj3 n LYS 357 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1pj3 s ILE 358 N -1.97 0.11 0.70 3.15 -1.09 -1.26 -5.11 121.20 115.74 1pj3 s ILE 358 Ca 0.70 -0.15 -0.08 0.00 -2.23 0.00 0.00 60.65 58.89 1pj3 s ILE 358 Cb -0.32 -0.63 0.05 0.00 -1.58 0.00 0.00 42.46 39.98 1pj3 s ILE 358 CO 0.54 -0.14 1.03 1.51 -1.23 0.00 0.00 174.94 176.65 1pj3 s ASP 359 N 2.05 5.02 0.30 3.58 3.84 -1.26 -4.83 116.67 125.37 1pj3 s ASP 359 Ca 0.02 0.67 0.05 0.00 -0.00 0.00 0.00 52.55 53.29 1pj3 s ASP 359 Cb -0.15 -1.38 0.73 0.00 -1.38 0.00 0.00 42.92 40.73 1pj3 s ASP 359 CO -0.07 -1.50 1.77 0.77 -0.00 0.00 0.00 175.17 176.14 1pj3 h SER 360 N -0.60 0.77 0.43 2.11 4.64 -2.01 -0.58 113.55 118.31 1pj3 h SER 360 Ca -0.45 0.10 -0.12 0.00 -0.47 0.00 0.00 61.79 60.85 1pj3 h SER 360 Cb 1.30 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1pj3 h SER 360 CO 0.62 0.27 -0.51 1.88 -0.87 0.00 0.00 176.83 178.22 1pj3 h TYR 361 N 0.76 0.11 0.03 4.77 -1.99 -2.01 -3.20 116.97 115.44 1pj3 h TYR 361 Ca 0.57 -0.04 -0.23 0.00 2.00 0.00 0.00 58.73 61.04 1pj3 h TYR 361 Cb 0.89 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.57 1pj3 h TYR 361 CO -0.01 0.59 -1.06 1.96 -0.00 0.00 0.00 178.16 179.64 1pj3 h GLN 362 N 0.07 0.07 -0.90 4.88 4.20 -1.52 -3.37 115.11 118.55 1pj3 h GLN 362 Ca -0.00 -0.12 0.22 0.00 0.06 0.00 0.00 58.65 58.81 1pj3 h GLN 362 Cb 0.93 0.05 -0.16 0.00 0.30 0.00 0.00 27.48 28.59 1pj3 h GLN 362 CO 0.07 1.06 -0.02 1.49 -0.67 0.00 0.00 178.83 180.76 1pj3 h GLU 363 N 0.02 0.04 -0.00 1.46 4.22 -1.26 0.29 114.58 119.35 1pj3 h GLU 363 Ca -0.04 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.40 1pj3 h GLU 363 Cb 1.82 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.06 1pj3 h GLU 363 CO 0.15 0.03 0.00 -1.35 -2.18 0.00 0.00 179.01 175.66 1pj3 h PRO 364 N 0.05 0.00 -0.29 0.92 0.11 -1.76 -1.63 132.00 129.39 1pj3 h PRO 364 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 1pj3 h PRO 364 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1pj3 h PRO 364 CO -0.84 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.14 1pj3 n PHE 365 N -3.13 0.60 -3.58 0.65 3.01 0.99 -4.76 117.46 111.24 1pj3 n PHE 365 Ca -0.03 -0.64 -0.41 0.00 1.01 0.00 0.00 57.45 57.38 1pj3 n PHE 365 Cb 0.07 -0.13 -0.11 0.00 -0.01 0.00 0.00 39.48 39.31 1pj3 n PHE 365 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1pj3 s THR 366 N -1.66 4.65 0.50 4.37 2.01 -0.61 -4.66 115.64 120.24 1pj3 s THR 366 Ca 0.29 -0.88 0.08 0.00 0.31 0.00 0.00 61.69 61.49 1pj3 s THR 366 Cb 0.19 -3.62 0.03 0.00 0.01 0.00 0.00 72.50 69.12 1pj3 s THR 366 CO 0.12 -0.27 0.56 -1.00 -0.69 0.00 0.00 174.62 173.34 1pj3 s HIS 367 N 1.56 2.05 0.23 4.92 3.76 -1.22 -4.56 115.29 122.04 1pj3 s HIS 367 Ca 0.02 -0.63 -0.30 0.00 -0.15 0.00 0.00 55.06 54.00 1pj3 s HIS 367 Cb -0.19 -2.17 -0.10 0.00 1.11 0.00 0.00 32.58 31.23 1pj3 s HIS 367 CO 0.07 -0.60 1.47 -1.12 -0.85 0.00 0.00 174.74 173.71 1pj3 s SER 368 N -4.38 6.64 0.08 1.40 0.01 -1.26 -0.79 113.70 115.39 1pj3 s SER 368 Ca 0.51 2.66 -0.37 0.00 1.31 0.00 0.00 55.95 60.06 1pj3 s SER 368 Cb -0.05 -2.62 -0.17 0.00 0.21 0.00 0.00 66.02 63.40 1pj3 s SER 368 CO 0.31 -0.73 1.35 0.00 0.41 0.00 0.00 173.24 174.58 1pj3 n ALA 369 N 2.66 -0.96 -0.70 1.44 0.00 -1.26 -4.86 120.51 116.83 1pj3 n ALA 369 Ca 0.08 0.52 -0.13 0.00 0.00 0.00 0.00 53.44 53.90 1pj3 n ALA 369 Cb 0.40 -2.08 0.20 0.00 0.00 0.00 0.00 19.45 17.97 1pj3 n ALA 369 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1pj3 n PRO 370 N 2.57 -3.45 -0.03 0.00 -0.02 -1.26 -4.90 135.00 127.91 1pj3 n PRO 370 Ca 0.19 -1.13 -0.11 0.00 -2.02 0.00 0.00 63.50 60.42 1pj3 n PRO 370 Cb 0.19 -1.28 -0.05 0.00 -0.02 0.00 0.00 33.50 32.34 1pj3 n PRO 370 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1pj3 h GLU 371 N 0.00 -0.40 -5.58 -0.52 9.09 -1.99 -3.39 114.58 111.79 1pj3 h GLU 371 Ca -0.29 0.03 -0.65 0.00 0.05 0.00 0.00 59.36 58.50 1pj3 h GLU 371 Cb 0.93 0.09 -0.32 0.00 -1.65 0.00 0.00 28.75 27.80 1pj3 h GLU 371 CO 0.18 -0.27 -0.87 -1.54 0.05 0.00 0.00 179.01 176.56 1pj3 s SER 372 N -4.94 2.79 -0.22 3.06 1.04 -1.26 -5.10 113.70 109.06 1pj3 s SER 372 Ca -0.15 -0.48 -0.28 0.00 0.48 0.00 0.00 55.95 55.52 1pj3 s SER 372 Cb 0.10 -0.94 0.00 0.00 0.10 0.00 0.00 66.02 65.29 1pj3 s SER 372 CO 0.65 0.19 0.98 -0.63 0.98 0.00 0.00 173.24 175.41 1pj3 s ILE 373 N 0.07 4.73 0.26 -1.02 1.01 -1.26 -5.00 121.20 119.99 1pj3 s ILE 373 Ca -0.09 1.91 -0.30 0.00 0.00 0.00 0.00 60.65 62.18 1pj3 s ILE 373 Cb -0.15 -4.26 -0.10 0.00 0.01 0.00 0.00 42.46 37.96 1pj3 s ILE 373 CO 0.05 -0.14 1.44 -2.16 0.00 0.00 0.00 174.94 174.13 1pj3 s PRO 374 N 3.02 4.26 -0.07 2.79 0.04 -1.26 -4.95 135.00 138.83 1pj3 s PRO 374 Ca 0.42 2.32 -0.12 0.00 0.04 0.00 0.00 61.00 63.66 1pj3 s PRO 374 Cb -0.15 -3.10 -0.30 0.00 0.04 0.00 0.00 34.50 30.99 1pj3 s PRO 374 CO 0.07 -0.42 0.62 0.22 0.04 0.00 0.00 177.00 177.53 1pj3 h ASP 375 N 4.87 0.55 -1.84 6.66 3.58 -1.94 -3.42 116.42 124.89 1pj3 h ASP 375 Ca -0.46 -0.92 -0.59 0.00 0.42 0.00 0.00 57.03 55.47 1pj3 h ASP 375 Cb 1.22 -0.18 -0.11 0.00 1.72 0.00 0.00 39.33 41.98 1pj3 h ASP 375 CO 0.77 1.76 -0.60 0.42 -2.88 0.00 0.00 179.24 178.71 1pj3 s THR 376 N -2.55 2.46 0.45 2.25 -4.23 -1.26 -4.94 115.64 107.81 1pj3 s THR 376 Ca -0.17 -1.95 0.13 0.00 -1.18 0.00 0.00 61.69 58.51 1pj3 s THR 376 Cb 0.05 -2.84 0.21 0.00 1.34 0.00 0.00 72.50 71.26 1pj3 s THR 376 CO 0.83 -0.14 2.02 0.15 -0.54 0.00 0.00 174.62 176.94 1pj3 h PHE 377 N 1.76 0.11 -0.53 3.99 3.57 -1.94 -1.42 116.94 122.48 1pj3 h PHE 377 Ca -0.43 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.04 1pj3 h PHE 377 Cb 1.25 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 1pj3 h PHE 377 CO 0.70 0.19 0.23 1.49 -2.23 0.00 0.00 178.31 178.70 1pj3 h GLU 378 N 0.11 0.78 -0.74 1.11 4.81 -1.95 -1.33 114.58 117.39 1pj3 h GLU 378 Ca 0.03 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 1pj3 h GLU 378 Cb 0.21 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1pj3 h GLU 378 CO 0.01 0.67 0.26 -0.44 -0.73 0.00 0.00 179.01 178.78 1pj3 h ASP 379 N 0.72 1.05 -1.00 1.04 3.32 -1.70 -1.60 116.42 118.25 1pj3 h ASP 379 Ca 0.18 -0.19 0.03 0.00 0.02 0.00 0.00 57.03 57.06 1pj3 h ASP 379 Cb 0.16 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.38 1pj3 h ASP 379 CO -0.02 0.96 0.66 0.00 -1.72 0.00 0.00 179.24 179.12 1pj3 h ALA 380 N 1.13 1.32 -0.48 3.45 0.00 -0.88 0.34 119.26 124.14 1pj3 h ALA 380 Ca 0.24 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1pj3 h ALA 380 Cb 0.27 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1pj3 h ALA 380 CO -0.01 0.60 -0.16 0.28 0.00 0.00 0.00 179.25 179.96 1pj3 h VAL 381 N 1.31 1.27 -0.28 0.00 2.07 -0.82 0.35 116.25 120.15 1pj3 h VAL 381 Ca 0.39 -1.31 -0.18 0.00 0.82 0.00 0.00 66.70 66.42 1pj3 h VAL 381 Cb -0.07 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1pj3 h VAL 381 CO -0.11 0.45 -0.53 0.78 0.02 0.00 0.00 177.57 178.19 1pj3 h ASN 382 N 0.80 0.90 -0.00 0.57 2.35 -0.51 0.12 115.58 119.81 1pj3 h ASN 382 Ca 0.11 -0.47 -0.07 0.00 -0.55 0.00 0.00 56.30 55.32 1pj3 h ASN 382 Cb 0.73 -0.26 0.01 0.00 0.05 0.00 0.00 38.32 38.85 1pj3 h ASN 382 CO 0.06 1.26 -0.27 0.40 -1.65 0.00 0.00 177.43 177.22 1pj3 h ILE 383 N 0.63 1.54 0.00 2.81 2.04 -0.34 -3.34 117.51 120.85 1pj3 h ILE 383 Ca 0.02 -1.95 -0.13 0.00 1.00 0.00 0.00 64.86 63.79 1pj3 h ILE 383 Cb 1.12 2.75 -0.02 0.00 -0.74 0.00 0.00 36.82 39.93 1pj3 h ILE 383 CO 0.11 0.54 -0.78 -0.07 0.00 0.00 0.00 178.15 177.95 1pj3 h LEU 384 N -0.48 0.00 -2.34 1.44 4.07 -1.03 -3.49 115.31 113.48 1pj3 h LEU 384 Ca -0.03 0.00 -0.42 0.00 0.08 0.00 0.00 57.88 57.50 1pj3 h LEU 384 Cb 1.02 0.00 0.06 0.00 1.08 0.00 0.00 40.66 42.82 1pj3 h LEU 384 CO 0.05 0.57 -0.88 0.29 -1.08 0.00 0.00 178.44 177.39 1pj3 n LYS 385 N -3.15 -3.14 -1.01 1.13 5.02 0.40 -4.96 118.16 112.45 1pj3 n LYS 385 Ca -0.01 0.55 -0.30 0.00 -2.02 0.00 0.00 58.31 56.53 1pj3 n LYS 385 Cb 0.78 -4.77 0.17 0.00 -0.02 0.00 0.00 35.03 31.19 1pj3 n LYS 385 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1pj3 s PRO 386 N -5.93 0.77 -0.00 1.97 0.04 -1.26 -4.91 135.00 125.67 1pj3 s PRO 386 Ca 0.20 0.90 0.13 0.00 0.04 0.00 0.00 61.00 62.27 1pj3 s PRO 386 Cb -0.06 -1.75 -0.15 0.00 0.04 0.00 0.00 34.50 32.59 1pj3 s PRO 386 CO 0.84 -2.60 0.54 -1.13 0.04 0.00 0.00 177.00 174.68 1pj3 n SER 387 N -4.14 0.71 -3.77 6.66 3.41 -0.15 -4.83 113.62 111.51 1pj3 n SER 387 Ca 0.07 -0.75 -0.13 0.00 -0.26 0.00 0.00 58.87 57.79 1pj3 n SER 387 Cb 0.55 1.04 -0.14 0.00 -0.26 0.00 0.00 64.21 65.40 1pj3 n SER 387 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1pj3 s THR 388 N -2.28 -0.03 -0.04 6.66 2.01 -1.10 -1.71 115.64 119.15 1pj3 s THR 388 Ca 0.04 0.13 0.05 0.00 0.31 0.00 0.00 61.69 62.22 1pj3 s THR 388 Cb 0.10 -0.24 -0.01 0.00 0.01 0.00 0.00 72.50 72.36 1pj3 s THR 388 CO 0.54 0.05 -0.18 0.27 -0.69 0.00 0.00 174.62 174.61 1pj3 s ILE 389 N 0.87 1.51 -0.12 1.82 -4.36 -0.74 -0.98 121.20 119.19 1pj3 s ILE 389 Ca -0.07 -0.77 0.01 0.00 -0.26 0.00 0.00 60.65 59.56 1pj3 s ILE 389 Cb -0.08 -1.29 0.02 0.00 1.25 0.00 0.00 42.46 42.36 1pj3 s ILE 389 CO -0.04 0.43 -0.12 -0.63 0.24 0.00 0.00 174.94 174.81 1pj3 s ILE 390 N -0.03 1.35 -0.29 8.37 1.01 -0.66 -1.74 121.20 129.22 1pj3 s ILE 390 Ca -0.03 -0.52 -0.11 0.00 0.00 0.00 0.00 60.65 59.99 1pj3 s ILE 390 Cb -0.11 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 1pj3 s ILE 390 CO 0.02 0.42 0.19 -0.83 0.00 0.00 0.00 174.94 174.74 1pj3 s GLY 391 N 1.34 1.92 -0.34 6.18 0.00 0.21 -0.68 107.32 115.95 1pj3 s GLY 391 Ca 0.00 -1.17 0.15 0.00 0.00 0.00 0.00 44.72 43.71 1pj3 s GLY 391 CO -0.06 0.67 0.96 3.33 0.00 0.00 0.00 173.10 178.00 1pj3 n VAL 392 N 5.06 0.63 0.18 1.40 0.24 -0.50 -1.04 118.33 124.30 1pj3 n VAL 392 Ca -0.14 -3.10 0.07 0.00 -2.04 0.00 0.00 64.34 59.14 1pj3 n VAL 392 Cb 0.51 0.57 -0.11 0.00 -1.47 0.00 0.00 33.84 33.34 1pj3 n VAL 392 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pj3 n ALA 393 N -0.05 2.92 -2.63 2.33 0.00 -1.19 -4.63 120.51 117.28 1pj3 n ALA 393 Ca 0.10 -0.38 -0.16 0.00 0.00 0.00 0.00 53.44 53.01 1pj3 n ALA 393 Cb 0.79 -0.52 -0.00 0.00 0.00 0.00 0.00 19.45 19.71 1pj3 n ALA 393 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj3 n GLY 394 N 1.56 -0.50 0.36 0.00 0.00 -1.26 -4.86 105.19 100.49 1pj3 n GLY 394 Ca -0.01 0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.06 1pj3 n GLY 394 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pj3 n ALA 395 N -2.51 2.12 0.00 4.61 0.00 -1.25 -4.81 120.51 118.67 1pj3 n ALA 395 Ca -0.14 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.24 1pj3 n ALA 395 Cb 0.62 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1pj3 n ALA 395 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj3 n GLY 396 N 0.09 -1.00 2.69 0.00 0.00 -0.85 -4.81 105.19 101.31 1pj3 n GLY 396 Ca 0.06 -2.14 -0.16 0.00 0.00 0.00 0.00 46.02 43.79 1pj3 n GLY 396 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pj3 n ARG 397 N 0.00 1.51 0.22 1.61 5.12 -1.10 -3.45 116.66 120.57 1pj3 n ARG 397 Ca 0.00 -1.17 0.14 0.00 -1.93 0.00 0.00 57.85 54.89 1pj3 n ARG 397 Cb 0.00 -2.30 0.43 0.00 -1.16 0.00 0.00 32.46 29.43 1pj3 n ARG 397 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1pj3 h LEU 398 N 8.58 0.00 -7.51 0.55 3.38 -1.77 -3.34 115.31 115.21 1pj3 h LEU 398 Ca 0.35 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 57.59 1pj3 h LEU 398 Cb 0.14 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.74 1pj3 h LEU 398 CO 1.28 0.00 1.65 0.49 0.09 0.00 0.00 178.44 181.96 1pj3 n PHE 399 N -2.89 4.59 -1.07 1.13 0.99 -0.55 -4.94 117.46 114.73 1pj3 n PHE 399 Ca 0.03 -3.18 -0.30 0.00 -0.00 0.00 0.00 57.45 54.00 1pj3 n PHE 399 Cb 0.40 -2.24 0.16 0.00 -1.00 0.00 0.00 39.48 36.80 1pj3 n PHE 399 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1pj3 s THR 400 N 1.89 2.46 0.26 4.37 -4.23 -1.26 -4.61 115.64 114.53 1pj3 s THR 400 Ca 0.44 0.15 -0.01 0.00 -1.18 0.00 0.00 61.69 61.10 1pj3 s THR 400 Cb 0.01 -2.54 0.24 0.00 1.34 0.00 0.00 72.50 71.55 1pj3 s THR 400 CO 0.01 -0.20 1.77 -0.65 -0.54 0.00 0.00 174.62 175.02 1pj3 h PRO 401 N -1.76 0.65 -0.62 3.99 0.11 -1.94 0.12 132.00 132.56 1pj3 h PRO 401 Ca -0.51 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.51 1pj3 h PRO 401 Cb 1.29 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1pj3 h PRO 401 CO 0.53 0.43 0.21 -0.44 -0.21 0.00 0.00 178.00 178.52 1pj3 h ASP 402 N 0.67 0.89 -0.09 -2.05 3.32 -1.98 0.26 116.42 117.45 1pj3 h ASP 402 Ca 0.46 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1pj3 h ASP 402 Cb 0.62 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1pj3 h ASP 402 CO -0.34 0.86 0.04 0.58 -1.72 0.00 0.00 179.24 178.65 1pj3 h VAL 403 N 0.88 1.00 -0.84 -1.35 2.07 -1.40 0.21 116.25 116.82 1pj3 h VAL 403 Ca 0.20 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.67 1pj3 h VAL 403 Cb 0.27 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1pj3 h VAL 403 CO -0.01 0.02 0.45 0.40 0.02 0.00 0.00 177.57 178.45 1pj3 h ILE 404 N 0.09 1.25 -0.74 4.57 2.04 -0.49 -2.64 117.51 121.59 1pj3 h ILE 404 Ca 0.03 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 1pj3 h ILE 404 Cb 0.00 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.18 1pj3 h ILE 404 CO -0.02 0.28 0.32 0.03 0.00 0.00 0.00 178.15 178.76 1pj3 h ARG 405 N 1.17 1.09 -1.57 2.37 3.08 -0.05 -2.26 114.38 118.21 1pj3 h ARG 405 Ca 0.29 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1pj3 h ARG 405 Cb 0.04 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.91 1pj3 h ARG 405 CO -0.05 0.87 0.00 0.00 -1.07 0.00 0.00 179.97 179.73 1pj3 n ALA 406 N -2.40 1.39 0.00 0.04 0.00 0.02 -1.19 120.51 118.38 1pj3 n ALA 406 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1pj3 n ALA 406 Cb 0.16 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1pj3 n ALA 406 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pj3 n ALA 408 N 0.89 0.00 0.05 0.00 0.00 -0.85 -0.71 120.51 119.89 1pj3 n ALA 408 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1pj3 n ALA 408 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1pj3 n ALA 408 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1pj3 h SER 409 N 0.00 0.03 0.64 0.00 4.64 -1.44 -3.34 113.55 114.08 1pj3 h SER 409 Ca 0.00 -0.03 -0.27 0.00 -0.47 0.00 0.00 61.79 61.02 1pj3 h SER 409 Cb 0.00 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 1pj3 h SER 409 CO 0.00 1.03 -1.36 0.40 -0.87 0.00 0.00 176.83 176.02 1pj3 h ILE 410 N 0.00 1.32 -4.01 0.95 2.04 -1.18 -3.47 117.51 113.18 1pj3 h ILE 410 Ca -0.07 -3.00 -0.56 0.00 1.00 0.00 0.00 64.86 62.22 1pj3 h ILE 410 Cb 1.83 2.76 -0.23 0.00 -0.74 0.00 0.00 36.82 40.44 1pj3 h ILE 410 CO 0.12 0.83 -0.83 0.20 0.00 0.00 0.00 178.15 178.47 1pj3 s ASN 411 N -6.79 2.50 -0.01 1.72 0.01 -1.26 -5.04 114.94 106.07 1pj3 s ASN 411 Ca -0.05 -0.63 -0.23 0.00 -0.71 0.00 0.00 52.86 51.25 1pj3 s ASN 411 Cb 0.08 -0.16 -0.19 0.00 0.41 0.00 0.00 41.25 41.39 1pj3 s ASN 411 CO 0.84 0.09 1.19 -0.08 -1.51 0.00 0.00 177.10 177.64 1pj3 h GLU 412 N 4.34 0.24 -2.74 -0.60 4.57 -1.91 -3.38 114.58 115.11 1pj3 h GLU 412 Ca -0.45 -0.18 -0.61 0.00 -1.18 0.00 0.00 59.36 56.95 1pj3 h GLU 412 Cb 1.17 0.03 -0.41 0.00 -0.16 0.00 0.00 28.75 29.39 1pj3 h GLU 412 CO 0.41 0.80 -0.69 0.54 -1.18 0.00 0.00 179.01 178.89 1pj3 n ARG 413 N -4.55 1.50 -2.00 1.92 5.12 -1.26 -4.76 116.66 112.63 1pj3 n ARG 413 Ca -0.08 -4.15 -0.41 0.00 -1.93 0.00 0.00 57.85 51.28 1pj3 n ARG 413 Cb 0.42 -2.09 -0.02 0.00 -1.16 0.00 0.00 32.46 29.62 1pj3 n ARG 413 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1pj3 s PRO 414 N -1.26 4.27 -0.23 5.56 0.04 -1.25 -4.71 135.00 137.43 1pj3 s PRO 414 Ca 0.29 2.34 -0.16 0.00 0.04 0.00 0.00 61.00 63.51 1pj3 s PRO 414 Cb 0.02 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.48 1pj3 s PRO 414 CO -0.15 -0.33 0.42 0.08 0.04 0.00 0.00 177.00 177.06 1pj3 s VAL 415 N -0.96 5.17 -0.21 -0.36 1.01 -0.69 -1.40 120.40 122.95 1pj3 s VAL 415 Ca 0.52 0.72 -0.00 0.00 0.00 0.00 0.00 61.98 63.21 1pj3 s VAL 415 Cb -0.42 -3.74 0.06 0.00 0.00 0.00 0.00 36.38 32.27 1pj3 s VAL 415 CO 0.55 0.20 -0.03 -0.63 0.00 0.00 0.00 175.10 175.18 1pj3 s ILE 416 N 1.66 1.20 -0.28 2.22 1.01 -0.23 -1.80 121.20 124.99 1pj3 s ILE 416 Ca 0.19 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.86 1pj3 s ILE 416 Cb -0.15 -1.50 0.03 0.00 0.01 0.00 0.00 42.46 40.84 1pj3 s ILE 416 CO 0.09 -0.08 0.01 -0.36 0.00 0.00 0.00 174.94 174.60 1pj3 s PHE 417 N 1.56 3.14 -0.74 3.97 0.40 -0.71 -2.64 117.98 122.95 1pj3 s PHE 417 Ca -0.03 -1.40 -0.05 0.00 -0.60 0.00 0.00 56.93 54.85 1pj3 s PHE 417 Cb -0.18 -2.15 0.19 0.00 0.51 0.00 0.00 43.02 41.39 1pj3 s PHE 417 CO -0.07 -0.69 0.61 0.00 0.70 0.00 0.00 175.22 175.77 1pj3 s ALA 418 N 1.38 3.87 -2.71 5.36 0.00 -0.59 0.63 121.76 129.71 1pj3 s ALA 418 Ca -0.00 -3.42 0.26 0.00 0.00 0.00 0.00 51.96 48.80 1pj3 s ALA 418 Cb -0.18 -2.92 0.67 0.00 0.00 0.00 0.00 23.12 20.70 1pj3 s ALA 418 CO -0.01 -2.16 1.53 1.28 0.00 0.00 0.00 175.76 176.40 1pj3 n LEU 419 N 3.33 2.14 -4.77 0.00 4.77 -0.21 -2.08 117.00 120.18 1pj3 n LEU 419 Ca 0.13 -0.71 -0.38 0.00 -0.03 0.00 0.00 56.01 55.01 1pj3 n LEU 419 Cb 0.40 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 1pj3 n LEU 419 CO 0.34 0.36 0.87 -0.44 -1.33 0.00 0.00 177.39 177.19 1pj3 s SER 420 N -2.01 6.42 0.17 -1.43 0.01 -1.16 -3.93 113.70 111.76 1pj3 s SER 420 Ca 0.34 2.42 0.09 0.00 1.31 0.00 0.00 55.95 60.10 1pj3 s SER 420 Cb 0.21 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.78 1pj3 s SER 420 CO 0.32 -0.76 -0.19 0.20 0.41 0.00 0.00 173.24 173.23 1pj3 s ASN 421 N -1.07 2.76 0.92 2.44 0.01 -1.26 -3.78 114.94 114.97 1pj3 s ASN 421 Ca 0.58 -0.86 -0.02 0.00 -0.71 0.00 0.00 52.86 51.86 1pj3 s ASN 421 Cb -0.32 -0.17 0.02 0.00 0.41 0.00 0.00 41.25 41.19 1pj3 s ASN 421 CO 0.41 -0.01 0.15 -0.81 -1.51 0.00 0.00 177.10 175.32 1pj3 n PRO 422 N 0.32 -0.06 -0.32 -0.60 -0.04 -1.26 0.77 135.00 133.81 1pj3 n PRO 422 Ca -0.13 -0.25 0.18 0.00 -0.04 0.00 0.00 63.50 63.26 1pj3 n PRO 422 Cb 0.57 -0.15 0.37 0.00 -0.04 0.00 0.00 33.50 34.25 1pj3 n PRO 422 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1pj3 h THR 423 N -1.00 0.22 0.00 0.52 2.02 -1.91 0.15 112.91 112.92 1pj3 h THR 423 Ca -0.05 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1pj3 h THR 423 Cb 0.14 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.58 1pj3 h THR 423 CO 0.04 0.03 -0.07 0.00 0.37 0.00 0.00 175.52 175.89 1pj3 h ALA 424 N 1.86 1.43 -0.02 6.16 0.00 -1.94 -1.68 119.26 125.07 1pj3 h ALA 424 Ca 0.64 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1pj3 h ALA 424 Cb 1.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1pj3 h ALA 424 CO -0.70 0.08 -0.17 1.04 0.00 0.00 0.00 179.25 179.50 1pj3 n GLN 425 N -3.79 1.48 -1.75 0.00 1.13 0.51 -4.51 117.38 110.45 1pj3 n GLN 425 Ca -0.02 -1.04 -0.39 0.00 -1.94 0.00 0.00 57.00 53.61 1pj3 n GLN 425 Cb 0.16 -1.48 0.04 0.00 0.11 0.00 0.00 30.24 29.07 1pj3 n GLN 425 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1pj3 n ALA 426 N 0.14 1.73 0.20 -1.58 0.00 -0.63 -2.00 120.51 118.37 1pj3 n ALA 426 Ca 0.14 0.16 0.04 0.00 0.00 0.00 0.00 53.44 53.78 1pj3 n ALA 426 Cb 0.43 -2.37 0.41 0.00 0.00 0.00 0.00 19.45 17.91 1pj3 n ALA 426 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1pj3 h GLU 427 N 1.65 0.00 -2.16 0.00 3.07 -1.83 -2.92 114.58 112.39 1pj3 h GLU 427 Ca -0.51 0.00 0.21 0.00 -0.50 0.00 0.00 59.36 58.56 1pj3 h GLU 427 Cb 1.29 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 29.12 1pj3 h GLU 427 CO 0.58 0.33 0.57 0.00 -1.40 0.00 0.00 179.01 179.09 1pj3 s THR 429 N -3.01 3.00 0.15 0.00 -4.23 -1.26 -4.92 115.64 105.38 1pj3 s THR 429 Ca 0.14 -1.08 -0.12 0.00 -1.18 0.00 0.00 61.69 59.45 1pj3 s THR 429 Cb -0.00 -3.03 0.03 0.00 1.34 0.00 0.00 72.50 70.84 1pj3 s THR 429 CO 0.01 -0.01 1.63 0.00 -0.54 0.00 0.00 174.62 175.71 1pj3 h ALA 430 N 0.74 0.68 -0.12 3.99 0.00 -1.97 -2.42 119.26 120.17 1pj3 h ALA 430 Ca -0.41 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.30 1pj3 h ALA 430 Cb 1.28 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1pj3 h ALA 430 CO 0.48 0.43 -0.24 0.93 0.00 0.00 0.00 179.25 180.85 1pj3 h GLU 431 N 0.73 -0.30 -0.82 0.00 4.39 -1.95 -1.09 114.58 115.55 1pj3 h GLU 431 Ca 0.15 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 1pj3 h GLU 431 Cb 0.42 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 1pj3 h GLU 431 CO 0.01 -0.20 0.49 0.93 -1.16 0.00 0.00 179.01 179.08 1pj3 h GLU 432 N -0.31 1.12 0.77 2.33 5.08 -1.95 -0.15 114.58 121.46 1pj3 h GLU 432 Ca 0.10 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1pj3 h GLU 432 Cb 0.45 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.48 1pj3 h GLU 432 CO -0.30 0.79 -0.37 0.00 -1.00 0.00 0.00 179.01 178.13 1pj3 h ALA 433 N 1.26 -1.03 -0.45 3.43 0.00 -0.93 -0.98 119.26 120.56 1pj3 h ALA 433 Ca 0.29 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1pj3 h ALA 433 Cb -0.04 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1pj3 h ALA 433 CO -0.05 -1.05 -0.12 1.88 0.00 0.00 0.00 179.25 179.90 1pj3 h TYR 434 N -1.08 1.00 0.25 0.00 -1.99 -1.19 -2.63 116.97 111.32 1pj3 h TYR 434 Ca -0.11 -0.22 -0.01 0.00 2.00 0.00 0.00 58.73 60.39 1pj3 h TYR 434 Cb 0.80 -0.24 0.00 0.00 2.00 0.00 0.00 36.73 39.29 1pj3 h TYR 434 CO -0.01 0.99 -0.12 1.15 -0.00 0.00 0.00 178.16 180.16 1pj3 h THR 435 N 0.72 0.81 0.00 -2.88 2.02 -1.07 0.53 112.91 113.04 1pj3 h THR 435 Ca 0.11 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1pj3 h THR 435 Cb 0.67 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1pj3 h THR 435 CO 0.05 0.10 0.00 -0.07 0.37 0.00 0.00 175.52 175.97 1pj3 h LEU 436 N -0.57 0.00 -2.41 2.58 3.38 -1.24 -2.04 115.31 115.00 1pj3 h LEU 436 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1pj3 h LEU 436 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1pj3 h LEU 436 CO 0.06 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.94 1pj3 n THR 437 N -2.33 0.66 -3.73 0.22 -2.24 -0.99 -4.63 114.28 101.25 1pj3 n THR 437 Ca 0.01 -0.83 -0.27 0.00 -2.27 0.00 0.00 64.05 60.68 1pj3 n THR 437 Cb 0.19 0.76 0.04 0.00 -2.10 0.00 0.00 70.33 69.22 1pj3 n THR 437 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pj3 n GLU 438 N 0.73 -6.24 -1.11 -0.78 1.02 -0.48 -1.80 120.64 111.99 1pj3 n GLU 438 Ca 0.12 0.69 -0.04 0.00 -0.02 0.00 0.00 57.16 57.91 1pj3 n GLU 438 Cb 0.42 -5.63 -0.02 0.00 -0.02 0.00 0.00 31.44 26.19 1pj3 n GLU 438 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pj3 n GLY 439 N -1.77 0.62 0.11 0.62 0.00 0.17 -4.91 105.19 100.03 1pj3 n GLY 439 Ca 0.02 -0.31 0.11 0.00 0.00 0.00 0.00 46.02 45.85 1pj3 n GLY 439 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pj3 n ARG 440 N -2.06 0.31 -2.79 1.61 1.74 -0.74 -4.96 116.66 109.77 1pj3 n ARG 440 Ca -0.04 -0.22 -0.29 0.00 -0.77 0.00 0.00 57.85 56.53 1pj3 n ARG 440 Cb 0.22 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.15 1pj3 n ARG 440 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pj3 s LEU 442 N -4.13 4.88 0.12 0.00 1.43 -0.49 -4.95 118.68 115.53 1pj3 s LEU 442 Ca 0.50 -1.34 0.06 0.00 -1.03 0.00 0.00 54.13 52.32 1pj3 s LEU 442 Cb -0.10 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1pj3 s LEU 442 CO 0.36 -0.46 -0.01 0.12 0.23 0.00 0.00 176.35 176.59 1pj3 s PHE 443 N 1.43 2.90 -0.12 0.29 5.36 -1.26 -1.06 117.98 125.52 1pj3 s PHE 443 Ca 0.02 -0.09 -0.23 0.00 -0.96 0.00 0.00 56.93 55.67 1pj3 s PHE 443 Cb -0.21 -1.46 0.06 0.00 -0.34 0.00 0.00 43.02 41.06 1pj3 s PHE 443 CO 0.03 0.48 0.57 0.00 -1.46 0.00 0.00 175.22 174.85 1pj3 s ALA 444 N -1.45 -1.45 0.10 11.12 0.00 -1.08 -3.96 121.76 125.03 1pj3 s ALA 444 Ca 0.26 1.31 0.02 0.00 0.00 0.00 0.00 51.96 53.54 1pj3 s ALA 444 Cb -0.11 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 1pj3 s ALA 444 CO 0.18 -0.31 -0.06 -1.54 0.00 0.00 0.00 175.76 174.03 1pj3 s SER 445 N -0.51 1.11 0.07 0.00 1.04 -0.99 -1.53 113.70 112.89 1pj3 s SER 445 Ca -0.06 -1.00 -0.15 0.00 0.48 0.00 0.00 55.95 55.22 1pj3 s SER 445 Cb -0.03 0.10 -0.20 0.00 0.10 0.00 0.00 66.02 65.99 1pj3 s SER 445 CO 0.05 -0.47 1.22 1.23 0.98 0.00 0.00 173.24 176.25 1pj3 h GLY 446 N 3.00 0.76 -3.94 7.32 0.00 -1.54 0.17 103.07 108.84 1pj3 h GLY 446 Ca -0.35 -1.20 -0.58 0.00 0.00 0.00 0.00 47.33 45.21 1pj3 h GLY 446 CO 0.64 1.06 -0.55 -0.56 0.00 0.00 0.00 176.54 177.13 1pj3 s SER 447 N -7.09 5.67 0.39 0.19 0.01 -1.26 -4.55 113.70 107.05 1pj3 s SER 447 Ca -0.11 -0.06 -0.27 0.00 1.31 0.00 0.00 55.95 56.82 1pj3 s SER 447 Cb 0.07 -1.53 -0.09 0.00 0.21 0.00 0.00 66.02 64.67 1pj3 s SER 447 CO 0.89 0.08 1.34 -2.16 0.41 0.00 0.00 173.24 173.80 1pj3 s PRO 448 N -3.04 4.07 0.01 12.44 0.04 -1.26 -4.97 135.00 142.29 1pj3 s PRO 448 Ca 0.31 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.60 1pj3 s PRO 448 Cb -0.10 -2.86 -0.01 0.00 0.04 0.00 0.00 34.50 31.57 1pj3 s PRO 448 CO 0.24 -0.44 -0.02 -0.06 0.04 0.00 0.00 177.00 176.76 1pj3 s PHE 449 N -1.21 0.16 0.90 0.56 0.40 -1.26 -5.03 117.98 112.51 1pj3 s PHE 449 Ca 0.54 -0.18 -0.15 0.00 -0.60 0.00 0.00 56.93 56.54 1pj3 s PHE 449 Cb -0.40 -0.11 0.21 0.00 0.51 0.00 0.00 43.02 43.23 1pj3 s PHE 449 CO 0.52 -0.06 1.12 0.41 0.70 0.00 0.00 175.22 177.92 1pj3 n GLY 450 N 2.57 -1.73 3.75 4.36 0.00 -1.26 -4.77 105.19 108.11 1pj3 n GLY 450 Ca -0.16 -1.66 -0.36 0.00 0.00 0.00 0.00 46.02 43.85 1pj3 n GLY 450 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1pj3 s PRO 451 N -5.47 2.82 -0.12 1.61 0.02 -1.26 -4.67 135.00 127.92 1pj3 s PRO 451 Ca 0.65 1.80 -0.00 0.00 0.02 0.00 0.00 61.00 63.47 1pj3 s PRO 451 Cb -0.03 -1.91 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 1pj3 s PRO 451 CO 0.47 -1.32 -0.12 0.08 -0.33 0.00 0.00 177.00 175.78 1pj3 s VAL 452 N -1.69 3.12 -0.21 3.83 1.01 0.67 -4.96 120.40 122.17 1pj3 s VAL 452 Ca 0.77 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 1pj3 s VAL 452 Cb -0.30 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.80 1pj3 s VAL 452 CO 0.36 0.53 -0.12 -0.75 0.00 0.00 0.00 175.10 175.11 1pj3 s LYS 453 N 0.25 2.98 0.59 2.72 2.20 -1.26 0.25 119.74 127.47 1pj3 s LYS 453 Ca -0.08 -0.86 -0.12 0.00 -0.36 0.00 0.00 55.97 54.54 1pj3 s LYS 453 Cb -0.15 -2.80 -0.05 0.00 -1.51 0.00 0.00 37.83 33.31 1pj3 s LYS 453 CO 0.05 -0.29 1.02 -0.51 -0.36 0.00 0.00 175.35 175.26 1pj3 s LEU 454 N 1.33 3.33 0.38 5.43 1.43 0.84 -4.91 118.68 126.51 1pj3 s LEU 454 Ca 0.03 1.46 0.12 0.00 -1.03 0.00 0.00 54.13 54.71 1pj3 s LEU 454 Cb -0.15 -4.48 0.93 0.00 0.03 0.00 0.00 46.19 42.52 1pj3 s LEU 454 CO -0.08 -0.80 1.85 0.71 0.23 0.00 0.00 176.35 178.26 1pj3 h THR 455 N 0.00 0.75 0.00 5.49 1.35 -2.00 0.69 112.91 119.20 1pj3 h THR 455 Ca -0.45 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1pj3 h THR 455 Cb 1.19 0.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1pj3 h THR 455 CO 0.62 0.10 0.00 -0.90 -0.25 0.00 0.00 175.52 175.09 1pj3 n ASP 456 N -4.56 0.00 0.00 5.36 5.68 -1.26 -4.83 116.55 116.94 1pj3 n ASP 456 Ca 0.19 -0.81 0.00 0.00 -0.50 0.00 0.00 54.79 53.67 1pj3 n ASP 456 Cb 0.58 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 1pj3 n ASP 456 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pj3 n GLY 457 N 0.06 1.94 3.77 6.12 0.00 0.24 -5.04 105.19 112.27 1pj3 n GLY 457 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1pj3 n GLY 457 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pj3 s ARG 458 N -0.41 3.81 -0.14 1.61 0.52 -1.25 -4.70 118.95 118.39 1pj3 s ARG 458 Ca 0.00 1.98 0.02 0.00 -0.52 0.00 0.00 55.73 57.21 1pj3 s ARG 458 Cb 0.00 -2.56 0.01 0.00 0.52 0.00 0.00 34.95 32.92 1pj3 s ARG 458 CO 0.00 -0.57 -0.21 0.08 0.02 0.00 0.00 175.30 174.62 1pj3 s VAL 459 N -1.39 1.98 -0.14 3.52 1.01 -1.26 -0.11 120.40 124.02 1pj3 s VAL 459 Ca 0.61 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1pj3 s VAL 459 Cb -0.34 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 1pj3 s VAL 459 CO 0.42 0.53 -0.14 -0.36 0.00 0.00 0.00 175.10 175.56 1pj3 s PHE 460 N 0.90 2.79 -0.42 5.22 0.08 0.14 -4.90 117.98 121.79 1pj3 s PHE 460 Ca -0.05 -0.76 -0.06 0.00 0.12 0.00 0.00 56.93 56.18 1pj3 s PHE 460 Cb -0.15 -1.85 0.10 0.00 -0.57 0.00 0.00 43.02 40.55 1pj3 s PHE 460 CO -0.03 -0.29 0.24 0.99 -0.10 0.00 0.00 175.22 176.03 1pj3 s THR 461 N 0.48 3.71 0.46 0.64 2.01 0.25 -0.24 115.64 122.96 1pj3 s THR 461 Ca -0.10 -1.82 -0.23 0.00 0.31 0.00 0.00 61.69 59.85 1pj3 s THR 461 Cb -0.16 -3.44 -0.07 0.00 0.01 0.00 0.00 72.50 68.84 1pj3 s THR 461 CO 0.05 -0.65 1.22 -2.16 -0.69 0.00 0.00 174.62 172.39 1pj3 s PRO 462 N 1.26 3.70 0.33 4.92 0.04 -1.26 -3.29 135.00 140.71 1pj3 s PRO 462 Ca 0.06 1.92 0.01 0.00 0.04 0.00 0.00 61.00 63.03 1pj3 s PRO 462 Cb -0.24 -2.45 -0.03 0.00 0.04 0.00 0.00 34.50 31.82 1pj3 s PRO 462 CO -0.02 -0.64 0.53 0.20 0.04 0.00 0.00 177.00 177.11 1pj3 s GLY 463 N -1.17 1.32 -0.44 0.56 0.00 -1.25 -4.94 107.32 101.40 1pj3 s GLY 463 Ca 0.63 -0.95 -0.08 0.00 0.00 0.00 0.00 44.72 44.33 1pj3 s GLY 463 CO 0.39 -0.90 0.28 1.62 0.00 0.00 0.00 173.10 174.50 1pj3 s GLN 464 N -4.28 2.40 -1.30 2.90 0.74 -1.26 -2.34 119.66 116.52 1pj3 s GLN 464 Ca 0.39 -1.68 -0.18 0.00 0.05 0.00 0.00 55.36 53.94 1pj3 s GLN 464 Cb -0.09 -3.79 0.05 0.00 1.10 0.00 0.00 33.01 30.28 1pj3 s GLN 464 CO 0.35 -1.09 1.79 0.41 -0.55 0.00 0.00 175.29 176.20 1pj3 n GLY 465 N 4.83 2.56 3.22 2.59 0.00 0.60 -4.88 105.19 114.10 1pj3 n GLY 465 Ca -0.07 -1.41 -0.27 0.00 0.00 0.00 0.00 46.02 44.27 1pj3 n GLY 465 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pj3 s ASN 466 N 4.37 2.37 0.00 1.61 3.84 -1.26 -4.22 114.94 121.65 1pj3 s ASN 466 Ca 0.55 -0.38 0.03 0.00 0.21 0.00 0.00 52.86 53.26 1pj3 s ASN 466 Cb 0.04 -0.26 0.15 0.00 -0.55 0.00 0.00 41.25 40.63 1pj3 s ASN 466 CO 0.08 0.24 0.79 -0.46 -2.79 0.00 0.00 177.10 174.96 1pj3 n ASN 467 N 2.49 0.00 0.30 -4.21 0.23 -1.26 -1.91 115.26 110.90 1pj3 n ASN 467 Ca -0.15 0.11 0.17 0.00 -0.53 0.00 0.00 54.58 54.17 1pj3 n ASN 467 Cb 0.53 -0.17 0.97 0.00 -2.08 0.00 0.00 39.78 39.03 1pj3 n ASN 467 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 1pj3 h VAL 468 N 0.00 0.37 0.00 3.53 3.04 -1.95 0.26 116.25 121.51 1pj3 h VAL 468 Ca 0.00 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 1pj3 h VAL 468 Cb 0.01 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.37 1pj3 h VAL 468 CO 0.00 0.02 0.00 -1.22 -1.01 0.00 0.00 177.57 175.36 1pj3 n TYR 469 N -3.58 0.00 0.00 3.17 4.02 -0.81 -4.38 117.16 115.59 1pj3 n TYR 469 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 1pj3 n TYR 469 Cb 0.11 -0.45 0.00 0.00 -0.02 0.00 0.00 39.34 38.98 1pj3 n TYR 469 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1pj3 n ILE 470 N -1.45 0.03 -0.00 -0.72 5.41 0.87 -4.79 119.36 118.71 1pj3 n ILE 470 Ca 0.06 0.01 0.17 0.00 1.00 0.00 0.00 62.75 63.99 1pj3 n ILE 470 Cb 0.24 -1.38 0.63 0.00 -0.71 0.00 0.00 39.64 38.42 1pj3 n ILE 470 CO 0.00 0.00 0.00 2.19 0.00 0.00 0.00 176.55 178.74 1pj3 h PHE 471 N 0.00 0.13 0.50 1.39 -5.15 -1.62 -1.61 116.94 110.58 1pj3 h PHE 471 Ca 0.00 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.75 1pj3 h PHE 471 Cb 0.85 -0.04 0.00 0.00 0.22 0.00 0.00 35.95 36.99 1pj3 h PHE 471 CO 0.00 0.06 -0.24 -1.35 -2.00 0.00 0.00 178.31 174.78 1pj3 h PRO 472 N 0.12 -0.65 -0.74 6.09 0.11 -1.83 0.36 132.00 135.46 1pj3 h PRO 472 Ca 0.24 0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.35 1pj3 h PRO 472 Cb 0.80 0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.02 1pj3 h PRO 472 CO -0.03 -0.36 0.28 0.78 -0.21 0.00 0.00 178.00 178.46 1pj3 h GLY 473 N -0.88 1.18 0.95 -0.55 0.00 -1.69 -1.60 103.07 100.48 1pj3 h GLY 473 Ca -0.07 -0.65 -0.05 0.00 0.00 0.00 0.00 47.33 46.57 1pj3 h GLY 473 CO 0.11 0.61 0.08 -2.08 0.00 0.00 0.00 176.54 175.27 1pj3 h VAL 474 N 1.07 1.24 -0.46 4.60 2.07 -1.29 -2.35 116.25 121.14 1pj3 h VAL 474 Ca 0.25 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 1pj3 h VAL 474 Cb 0.23 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1pj3 h VAL 474 CO -0.02 0.30 0.24 0.00 0.02 0.00 0.00 177.57 178.11 1pj3 h ALA 475 N 0.95 0.59 -0.38 1.67 0.00 -0.71 -1.42 119.26 119.97 1pj3 h ALA 475 Ca 0.13 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1pj3 h ALA 475 Cb 0.36 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1pj3 h ALA 475 CO 0.01 0.13 0.17 1.25 0.00 0.00 0.00 179.25 180.80 1pj3 h LEU 476 N 0.60 0.22 -0.43 0.00 5.85 -1.17 -0.15 115.31 120.23 1pj3 h LEU 476 Ca 0.16 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1pj3 h LEU 476 Cb 0.08 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1pj3 h LEU 476 CO -0.02 0.17 0.17 0.00 -0.34 0.00 0.00 178.44 178.41 1pj3 h ALA 477 N 1.21 0.57 -0.76 1.25 0.00 -1.22 0.74 119.26 121.05 1pj3 h ALA 477 Ca 0.16 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1pj3 h ALA 477 Cb 0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1pj3 h ALA 477 CO -0.14 0.18 0.31 0.28 0.00 0.00 0.00 179.25 179.88 1pj3 h VAL 478 N 0.56 1.25 0.06 0.00 2.07 -0.96 -0.98 116.25 118.25 1pj3 h VAL 478 Ca 0.14 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 1pj3 h VAL 478 Cb 0.20 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1pj3 h VAL 478 CO -0.01 0.32 -0.03 0.40 0.02 0.00 0.00 177.57 178.27 1pj3 h ILE 479 N 1.10 1.20 -0.72 4.57 2.04 -0.77 -2.31 117.51 122.63 1pj3 h ILE 479 Ca 0.26 -1.00 0.01 0.00 1.00 0.00 0.00 64.86 65.13 1pj3 h ILE 479 Cb 0.20 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.09 1pj3 h ILE 479 CO -0.02 0.24 0.48 -0.07 0.00 0.00 0.00 178.15 178.78 1pj3 h LEU 480 N -0.54 0.80 -0.56 1.44 3.38 -0.76 -2.30 115.31 116.77 1pj3 h LEU 480 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1pj3 h LEU 480 Cb 0.47 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1pj3 h LEU 480 CO 0.01 0.57 0.00 0.00 0.09 0.00 0.00 178.44 179.12 1pj3 n ASN 482 N -0.29 -5.04 -4.77 0.00 5.03 -0.87 -0.33 115.26 108.99 1pj3 n ASN 482 Ca 0.19 -0.40 -0.41 0.00 0.87 0.00 0.00 54.58 54.83 1pj3 n ASN 482 Cb 0.23 -4.09 -0.01 0.00 -1.02 0.00 0.00 39.78 34.90 1pj3 n ASN 482 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1pj3 s THR 483 N -3.11 2.41 -0.10 3.41 2.01 -0.89 -3.87 115.64 115.50 1pj3 s THR 483 Ca 0.41 0.41 0.14 0.00 0.31 0.00 0.00 61.69 62.95 1pj3 s THR 483 Cb -0.20 -3.26 -0.24 0.00 0.01 0.00 0.00 72.50 68.82 1pj3 s THR 483 CO 0.50 0.09 0.44 0.54 -0.69 0.00 0.00 174.62 175.50 1pj3 n ARG 484 N 0.58 0.66 -3.79 4.92 1.74 -1.26 -4.84 116.66 114.66 1pj3 n ARG 484 Ca 0.01 0.19 -0.13 0.00 -0.77 0.00 0.00 57.85 57.15 1pj3 n ARG 484 Cb 0.41 -1.69 -0.10 0.00 -1.02 0.00 0.00 32.46 30.05 1pj3 n ARG 484 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1pj3 s HIS 485 N -2.56 -0.18 -0.25 -1.55 3.76 -1.26 -2.85 115.29 110.40 1pj3 s HIS 485 Ca -0.07 0.35 -0.06 0.00 -0.15 0.00 0.00 55.06 55.13 1pj3 s HIS 485 Cb 0.07 0.07 -0.01 0.00 1.11 0.00 0.00 32.58 33.82 1pj3 s HIS 485 CO 0.82 -0.27 0.03 0.42 -0.85 0.00 0.00 174.74 174.89 1pj3 s ILE 486 N -0.78 3.81 0.48 0.60 1.01 -1.26 -5.02 121.20 120.04 1pj3 s ILE 486 Ca -0.09 -0.49 -0.03 0.00 0.00 0.00 0.00 60.65 60.04 1pj3 s ILE 486 Cb -0.05 -2.84 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 1pj3 s ILE 486 CO 0.02 0.28 0.74 -0.94 0.00 0.00 0.00 174.94 175.04 1pj3 s SER 487 N 1.52 5.96 0.41 3.58 1.04 -1.26 -4.96 113.70 119.98 1pj3 s SER 487 Ca 0.05 0.59 0.13 0.00 0.48 0.00 0.00 55.95 57.20 1pj3 s SER 487 Cb -0.16 -1.84 0.87 0.00 0.10 0.00 0.00 66.02 64.99 1pj3 s SER 487 CO 0.01 -0.70 1.92 0.44 0.98 0.00 0.00 173.24 175.88 1pj3 h ASP 488 N 0.26 0.01 -0.23 7.02 3.32 -2.01 -2.53 116.42 122.26 1pj3 h ASP 488 Ca -0.47 -0.00 0.07 0.00 0.02 0.00 0.00 57.03 56.65 1pj3 h ASP 488 Cb 1.24 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 1pj3 h ASP 488 CO 0.60 0.27 0.18 0.77 -1.72 0.00 0.00 179.24 179.34 1pj3 h SER 489 N 0.01 0.00 -0.84 6.45 4.64 -2.00 -0.18 113.55 121.64 1pj3 h SER 489 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1pj3 h SER 489 Cb 0.47 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.52 1pj3 h SER 489 CO 0.03 0.00 0.48 0.58 -0.87 0.00 0.00 176.83 177.05 1pj3 h VAL 490 N 0.00 1.24 0.00 0.95 2.07 -1.84 -1.06 116.25 117.61 1pj3 h VAL 490 Ca 0.11 -0.57 -0.10 0.00 0.82 0.00 0.00 66.70 66.96 1pj3 h VAL 490 Cb 0.47 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1pj3 h VAL 490 CO -0.00 0.26 -0.46 -0.26 0.02 0.00 0.00 177.57 177.13 1pj3 h PHE 491 N 1.16 0.00 -0.43 1.57 -1.00 -1.18 -0.77 116.94 116.29 1pj3 h PHE 491 Ca 0.30 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.99 1pj3 h PHE 491 Cb 0.00 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.55 1pj3 h PHE 491 CO 0.00 0.46 -0.08 1.25 -1.61 0.00 0.00 178.31 178.33 1pj3 h LEU 492 N 0.00 0.82 -0.41 1.54 6.46 -0.94 -1.08 115.31 121.70 1pj3 h LEU 492 Ca -0.00 -0.35 -0.09 0.00 -0.12 0.00 0.00 57.88 57.32 1pj3 h LEU 492 Cb 0.96 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.65 1pj3 h LEU 492 CO 0.06 0.98 -0.08 -0.08 -0.62 0.00 0.00 178.44 178.69 1pj3 h GLU 493 N 0.65 0.78 -0.87 1.25 4.57 -0.90 -2.31 114.58 117.74 1pj3 h GLU 493 Ca 0.11 -0.29 0.01 0.00 -1.18 0.00 0.00 59.36 58.01 1pj3 h GLU 493 Cb 0.60 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.10 1pj3 h GLU 493 CO 0.04 0.90 0.57 0.00 -1.18 0.00 0.00 179.01 179.34 1pj3 h ALA 494 N 0.85 1.11 -0.38 2.92 0.00 -1.00 0.18 119.26 122.93 1pj3 h ALA 494 Ca 0.10 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1pj3 h ALA 494 Cb 0.60 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1pj3 h ALA 494 CO 0.04 0.52 0.19 0.00 0.00 0.00 0.00 179.25 180.00 1pj3 h ALA 495 N 1.31 0.47 -0.32 0.00 0.00 -0.97 0.45 119.26 120.21 1pj3 h ALA 495 Ca 0.32 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 1pj3 h ALA 495 Cb -0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1pj3 h ALA 495 CO -0.07 -0.17 -0.26 0.87 0.00 0.00 0.00 179.25 179.62 1pj3 h LYS 496 N 0.39 0.63 -0.65 0.00 1.57 -0.85 -2.45 116.57 115.22 1pj3 h LYS 496 Ca 0.16 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 1pj3 h LYS 496 Cb 0.06 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1pj3 h LYS 496 CO -0.11 0.84 0.13 0.00 -0.57 0.00 0.00 179.45 179.74 1pj3 h ALA 497 N 1.16 1.01 0.01 3.86 0.00 -0.05 -2.07 119.26 123.17 1pj3 h ALA 497 Ca 0.07 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1pj3 h ALA 497 Cb 0.74 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1pj3 h ALA 497 CO 0.06 0.64 -0.00 1.25 0.00 0.00 0.00 179.25 181.19 1pj3 h LEU 498 N 0.99 -0.01 -1.08 0.00 5.85 -0.70 -3.24 115.31 117.12 1pj3 h LEU 498 Ca 0.20 -0.25 -0.09 0.00 0.84 0.00 0.00 57.88 58.58 1pj3 h LEU 498 Cb 0.38 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1pj3 h LEU 498 CO 0.01 0.25 -0.39 0.00 -0.34 0.00 0.00 178.44 177.96 1pj3 h THR 499 N -0.27 1.30 0.00 1.05 1.03 -1.40 -2.86 112.91 111.76 1pj3 h THR 499 Ca -0.00 -1.42 0.00 0.00 -0.01 0.00 0.00 66.41 64.98 1pj3 h THR 499 Cb 0.27 1.69 0.00 0.00 -1.07 0.00 0.00 68.15 69.03 1pj3 h THR 499 CO 0.00 0.42 0.00 -1.54 -0.01 0.00 0.00 175.52 174.39 1pj3 n SER 500 N -4.05 0.31 -0.02 0.00 3.41 -0.79 -1.44 113.62 111.05 1pj3 n SER 500 Ca -0.02 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.32 1pj3 n SER 500 Cb 0.45 -0.66 0.18 0.00 -0.26 0.00 0.00 64.21 63.91 1pj3 n SER 500 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pj3 n GLN 501 N -1.88 0.06 -2.27 4.33 6.02 -1.08 -4.89 117.38 117.67 1pj3 n GLN 501 Ca 0.01 -0.04 -0.41 0.00 -0.01 0.00 0.00 57.00 56.55 1pj3 n GLN 501 Cb 0.11 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.84 1pj3 n GLN 501 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1pj3 s LEU 502 N -2.97 4.43 0.00 1.08 0.20 -0.52 -4.88 118.68 116.03 1pj3 s LEU 502 Ca 0.11 2.36 -0.02 0.00 0.69 0.00 0.00 54.13 57.27 1pj3 s LEU 502 Cb 0.17 -3.61 -0.04 0.00 -0.43 0.00 0.00 46.19 42.28 1pj3 s LEU 502 CO 0.72 -0.46 0.18 0.42 -0.29 0.00 0.00 176.35 176.92 1pj3 s THR 503 N -0.09 5.34 0.26 3.68 -4.23 -1.26 -5.00 115.64 114.35 1pj3 s THR 503 Ca 0.54 -0.23 -0.03 0.00 -1.18 0.00 0.00 61.69 60.80 1pj3 s THR 503 Cb -0.35 -3.51 0.25 0.00 1.34 0.00 0.00 72.50 70.23 1pj3 s THR 503 CO 0.39 0.30 1.68 0.44 -0.54 0.00 0.00 174.62 176.89 1pj3 h ASP 504 N 3.72 0.07 -0.09 3.99 5.19 -1.98 -0.54 116.42 126.79 1pj3 h ASP 504 Ca -0.48 0.15 0.02 0.00 -0.62 0.00 0.00 57.03 56.10 1pj3 h ASP 504 Cb 1.18 0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.86 1pj3 h ASP 504 CO 0.69 -0.04 -0.06 1.05 -3.12 0.00 0.00 179.24 177.77 1pj3 h GLU 505 N 0.29 -0.06 -0.94 3.56 9.09 -1.99 -0.02 114.58 124.52 1pj3 h GLU 505 Ca 0.45 0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.89 1pj3 h GLU 505 Cb 0.80 0.01 -0.05 0.00 -1.65 0.00 0.00 28.75 27.87 1pj3 h GLU 505 CO -0.53 -0.04 0.62 0.93 0.05 0.00 0.00 179.01 180.05 1pj3 h GLU 506 N -0.06 1.21 -0.25 1.06 5.08 -1.62 0.40 114.58 120.39 1pj3 h GLU 506 Ca 0.05 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1pj3 h GLU 506 Cb 0.14 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1pj3 h GLU 506 CO -0.12 0.80 0.03 1.25 -1.00 0.00 0.00 179.01 179.96 1pj3 h LEU 507 N 1.24 0.33 -1.52 1.33 5.85 -0.46 -1.33 115.31 120.76 1pj3 h LEU 507 Ca 0.36 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 1pj3 h LEU 507 Cb -0.08 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 1pj3 h LEU 507 CO -0.09 0.37 -0.10 0.00 -0.34 0.00 0.00 178.44 178.28 1pj3 h ALA 508 N 1.68 1.06 -0.00 1.25 0.00 1.00 -2.21 119.26 122.04 1pj3 h ALA 508 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pj3 h ALA 508 Cb 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1pj3 h ALA 508 CO 0.00 0.13 -0.16 1.04 0.00 0.00 0.00 179.25 180.26 1pj3 n GLN 509 N -3.30 0.24 0.00 0.00 6.02 -0.55 -4.87 117.38 114.92 1pj3 n GLN 509 Ca -0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 1pj3 n GLN 509 Cb 0.32 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.08 1pj3 n GLN 509 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1pj3 n GLY 510 N 1.42 1.16 3.66 1.08 0.00 -0.83 -0.58 105.19 111.09 1pj3 n GLY 510 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1pj3 n GLY 510 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pj3 s ARG 511 N -0.68 4.24 0.00 1.61 0.52 -0.89 -4.23 118.95 119.53 1pj3 s ARG 511 Ca 0.00 0.96 0.22 0.00 -0.52 0.00 0.00 55.73 56.39 1pj3 s ARG 511 Cb 0.00 -3.61 0.32 0.00 0.52 0.00 0.00 34.95 32.18 1pj3 s ARG 511 CO 0.00 -0.41 1.30 1.28 0.02 0.00 0.00 175.30 177.50 1pj3 n LEU 512 N 5.57 3.18 -3.85 2.53 4.77 -1.26 -3.86 117.00 124.08 1pj3 n LEU 512 Ca 0.05 -1.32 -0.12 0.00 -0.03 0.00 0.00 56.01 54.59 1pj3 n LEU 512 Cb 0.48 -0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.33 1pj3 n LEU 512 CO 0.48 0.64 -0.13 -0.31 -1.33 0.00 0.00 177.39 176.73 1pj3 s TYR 513 N -1.59 -0.00 0.65 -1.77 1.51 -1.26 -4.55 117.35 110.34 1pj3 s TYR 513 Ca 0.33 -0.06 -0.17 0.00 -1.01 0.00 0.00 57.07 56.15 1pj3 s TYR 513 Cb 0.20 -0.02 -0.02 0.00 -0.11 0.00 0.00 41.96 42.02 1pj3 s TYR 513 CO 0.29 -0.32 1.09 -2.30 -1.11 0.00 0.00 175.55 173.21 1pj3 n PRO 514 N 1.37 0.86 -1.61 -1.71 -0.02 -1.26 -4.86 135.00 127.77 1pj3 n PRO 514 Ca -0.22 0.34 -0.48 0.00 -2.02 0.00 0.00 63.50 61.12 1pj3 n PRO 514 Cb 0.56 -2.32 -0.04 0.00 -0.02 0.00 0.00 33.50 31.67 1pj3 n PRO 514 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1pj3 n PRO 515 N -1.62 1.44 0.29 0.52 -0.02 -1.26 -4.85 135.00 129.51 1pj3 n PRO 515 Ca 0.15 0.52 0.15 0.00 -2.02 0.00 0.00 63.50 62.29 1pj3 n PRO 515 Cb 0.48 -2.10 0.87 0.00 -0.02 0.00 0.00 33.50 32.74 1pj3 n PRO 515 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1pj3 h LEU 516 N 3.99 0.00 -0.59 2.45 5.85 -2.00 -0.19 115.31 124.82 1pj3 h LEU 516 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1pj3 h LEU 516 Cb 1.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.35 1pj3 h LEU 516 CO 0.74 0.04 0.00 0.00 -0.34 0.00 0.00 178.44 178.88 1pj3 n ALA 517 N -2.30 1.48 -0.74 1.25 0.00 -1.26 -1.95 120.51 117.00 1pj3 n ALA 517 Ca -0.03 0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.55 1pj3 n ALA 517 Cb 0.13 -1.30 0.19 0.00 0.00 0.00 0.00 19.45 18.47 1pj3 n ALA 517 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1pj3 n ASN 518 N -1.98 3.19 -0.21 0.00 3.02 -0.09 -4.72 115.26 114.47 1pj3 n ASN 518 Ca 0.02 -2.72 0.21 0.00 -0.03 0.00 0.00 54.58 52.06 1pj3 n ASN 518 Cb 0.16 -0.40 0.58 0.00 -0.61 0.00 0.00 39.78 39.50 1pj3 n ASN 518 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1pj3 h ILE 519 N 1.31 0.65 -0.24 2.41 6.09 -1.43 -0.01 117.51 126.29 1pj3 h ILE 519 Ca 0.00 -0.10 -0.05 0.00 -1.37 0.00 0.00 64.86 63.35 1pj3 h ILE 519 Cb 1.11 0.35 -0.01 0.00 0.47 0.00 0.00 36.82 38.74 1pj3 h ILE 519 CO 0.11 0.05 -0.04 -0.61 -3.07 0.00 0.00 178.15 174.59 1pj3 h GLN 520 N 0.28 0.46 -0.26 2.19 4.15 -1.85 0.86 115.11 120.94 1pj3 h GLN 520 Ca 0.45 -0.16 -0.13 0.00 0.77 0.00 0.00 58.65 59.57 1pj3 h GLN 520 Cb 1.29 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.95 1pj3 h GLN 520 CO -0.13 0.67 -0.35 1.49 -1.93 0.00 0.00 178.83 178.58 1pj3 h GLU 521 N 0.21 0.69 -0.75 1.69 4.81 -1.62 -2.65 114.58 116.96 1pj3 h GLU 521 Ca 0.06 -0.40 -0.01 0.00 -0.13 0.00 0.00 59.36 58.89 1pj3 h GLU 521 Cb 0.48 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 1pj3 h GLU 521 CO 0.02 1.02 0.44 0.28 -0.73 0.00 0.00 179.01 180.04 1pj3 h VAL 522 N 0.41 1.22 -0.70 0.32 2.07 -0.99 -1.44 116.25 117.14 1pj3 h VAL 522 Ca 0.03 -0.49 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 1pj3 h VAL 522 Cb 0.93 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1pj3 h VAL 522 CO 0.08 0.23 0.23 0.28 0.02 0.00 0.00 177.57 178.41 1pj3 h SER 523 N 1.02 0.99 -0.52 0.57 0.02 -0.78 -1.39 113.55 113.46 1pj3 h SER 523 Ca 0.27 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 1pj3 h SER 523 Cb -0.02 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 1pj3 h SER 523 CO -0.05 0.91 0.05 0.40 -1.14 0.00 0.00 176.83 177.00 1pj3 h ILE 524 N 1.03 1.26 -0.84 3.27 1.08 -1.08 -0.46 117.51 121.76 1pj3 h ILE 524 Ca 0.23 -1.01 -0.02 0.00 -0.39 0.00 0.00 64.86 63.67 1pj3 h ILE 524 Cb 0.26 0.90 -0.04 0.00 -3.07 0.00 0.00 36.82 34.87 1pj3 h ILE 524 CO -0.01 0.36 0.46 0.78 -0.69 0.00 0.00 178.15 179.04 1pj3 h ASN 525 N 0.76 1.06 -0.58 1.72 2.35 -0.97 -0.16 115.58 119.76 1pj3 h ASN 525 Ca 0.15 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1pj3 h ASN 525 Cb 0.46 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 1pj3 h ASN 525 CO 0.02 0.86 0.24 0.40 -1.65 0.00 0.00 177.43 177.29 1pj3 h ILE 526 N 1.18 1.23 -0.82 2.81 2.04 -0.92 -2.03 117.51 121.00 1pj3 h ILE 526 Ca 0.30 -0.70 0.03 0.00 1.00 0.00 0.00 64.86 65.49 1pj3 h ILE 526 Cb 0.04 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.67 1pj3 h ILE 526 CO -0.05 0.27 0.53 0.00 0.00 0.00 0.00 178.15 178.90 1pj3 h ALA 527 N 1.08 1.08 -0.18 1.87 0.00 -0.31 -0.35 119.26 122.46 1pj3 h ALA 527 Ca 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1pj3 h ALA 527 Cb 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1pj3 h ALA 527 CO -0.02 0.36 0.06 0.82 0.00 0.00 0.00 179.25 180.48 1pj3 h ILE 528 N 1.03 1.17 -0.43 0.00 2.04 -0.71 -0.41 117.51 120.21 1pj3 h ILE 528 Ca 0.33 -0.53 -0.10 0.00 1.00 0.00 0.00 64.86 65.56 1pj3 h ILE 528 Cb 0.00 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1pj3 h ILE 528 CO -0.11 0.17 -0.14 0.11 0.00 0.00 0.00 178.15 178.18 1pj3 h LYS 529 N 0.13 0.78 -0.36 2.37 1.57 -1.11 -1.35 116.57 118.60 1pj3 h LYS 529 Ca 0.06 -0.27 -0.11 0.00 -1.87 0.00 0.00 60.65 58.45 1pj3 h LYS 529 Cb 0.20 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1pj3 h LYS 529 CO -0.00 0.88 -0.24 0.28 -0.57 0.00 0.00 179.45 179.80 1pj3 h VAL 530 N 0.70 1.27 -0.21 0.50 2.07 -0.97 -0.68 116.25 118.94 1pj3 h VAL 530 Ca 0.11 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 1pj3 h VAL 530 Cb 0.63 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1pj3 h VAL 530 CO 0.04 0.44 0.09 0.74 0.02 0.00 0.00 177.57 178.91 1pj3 h THR 531 N 0.62 1.15 -0.71 2.57 2.02 -0.66 0.33 112.91 118.22 1pj3 h THR 531 Ca 0.09 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 1pj3 h THR 531 Cb 0.73 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 1pj3 h THR 531 CO 0.06 0.14 0.36 -0.33 0.37 0.00 0.00 175.52 176.13 1pj3 h GLU 532 N 0.20 1.00 -0.36 6.66 5.08 -1.10 -1.35 114.58 124.71 1pj3 h GLU 532 Ca 0.07 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 1pj3 h GLU 532 Cb 0.14 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1pj3 h GLU 532 CO -0.01 0.76 -0.14 -0.92 -1.00 0.00 0.00 179.01 177.70 1pj3 h TYR 533 N 1.00 0.84 -0.76 4.33 3.20 -0.67 0.23 116.97 125.14 1pj3 h TYR 533 Ca 0.25 -0.20 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 1pj3 h TYR 533 Cb 0.07 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.10 1pj3 h TYR 533 CO 0.01 0.91 0.35 -0.07 -1.64 0.00 0.00 178.16 177.72 1pj3 h LEU 534 N 0.52 1.00 -0.03 2.82 3.38 0.09 -1.98 115.31 121.12 1pj3 h LEU 534 Ca 0.09 -0.13 -0.19 0.00 0.09 0.00 0.00 57.88 57.74 1pj3 h LEU 534 Cb 0.67 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.18 1pj3 h LEU 534 CO 0.05 0.86 -0.73 1.88 0.09 0.00 0.00 178.44 180.59 1pj3 h TYR 535 N 1.09 0.80 0.00 1.13 -1.99 -1.18 -2.67 116.97 114.15 1pj3 h TYR 535 Ca 0.26 -0.41 -0.00 0.00 2.00 0.00 0.00 58.73 60.58 1pj3 h TYR 535 Cb 0.14 -0.10 -0.00 0.00 2.00 0.00 0.00 36.73 38.77 1pj3 h TYR 535 CO 0.01 1.23 -0.01 0.00 -0.00 0.00 0.00 178.16 179.39 1pj3 h ALA 536 N 0.39 1.46 -0.35 3.88 0.00 -0.79 -1.85 119.26 122.00 1pj3 h ALA 536 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1pj3 h ALA 536 Cb 1.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1pj3 h ALA 536 CO 0.15 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.50 1pj3 n ASN 537 N -3.77 3.90 -2.89 0.00 3.02 -0.76 -5.08 115.26 109.69 1pj3 n ASN 537 Ca -0.03 -2.69 -0.05 0.00 -0.03 0.00 0.00 54.58 51.79 1pj3 n ASN 537 Cb 0.09 -0.48 0.01 0.00 -0.61 0.00 0.00 39.78 38.79 1pj3 n ASN 537 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1pj3 n LYS 538 N 0.03 -2.57 -0.48 3.52 4.76 -0.70 -5.04 118.16 117.69 1pj3 n LYS 538 Ca 0.20 2.19 0.00 0.00 -2.87 0.00 0.00 58.31 57.83 1pj3 n LYS 538 Cb 0.80 -4.41 0.00 0.00 -1.84 0.00 0.00 35.03 29.58 1pj3 n LYS 538 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pj3 n ALA 540 N 0.53 -1.00 -0.45 7.82 0.00 -1.03 -5.04 120.51 121.35 1pj3 n ALA 540 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.51 1pj3 n ALA 540 Cb 0.24 -0.17 0.13 0.00 0.00 0.00 0.00 19.45 19.65 1pj3 n ALA 540 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1pj3 n PHE 541 N 0.11 0.35 -2.75 0.00 3.01 0.55 -4.91 117.46 113.82 1pj3 n PHE 541 Ca 0.00 -0.67 -0.42 0.00 1.01 0.00 0.00 57.45 57.37 1pj3 n PHE 541 Cb 0.00 -0.12 -0.03 0.00 -0.01 0.00 0.00 39.48 39.33 1pj3 n PHE 541 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1pj3 s ARG 542 N -1.71 4.34 0.12 -1.08 3.00 -0.84 -4.92 118.95 117.85 1pj3 s ARG 542 Ca 0.22 1.26 0.08 0.00 -1.00 0.00 0.00 55.73 56.30 1pj3 s ARG 542 Cb 0.16 -3.58 -0.04 0.00 0.00 0.00 0.00 34.95 31.49 1pj3 s ARG 542 CO 0.08 -0.41 -0.21 1.52 0.00 0.00 0.00 175.30 176.28 1pj3 s TYR 543 N 2.39 1.83 0.91 5.12 -0.85 -1.26 -4.11 117.35 121.38 1pj3 s TYR 543 Ca 0.44 -0.42 -0.12 0.00 -0.52 0.00 0.00 57.07 56.44 1pj3 s TYR 543 Cb -0.17 -0.99 0.13 0.00 0.38 0.00 0.00 41.96 41.32 1pj3 s TYR 543 CO 0.13 0.24 1.11 -1.25 -1.52 0.00 0.00 175.55 174.26 1pj3 s PRO 544 N -2.10 1.18 -0.06 -3.49 0.04 -1.26 -5.07 135.00 124.24 1pj3 s PRO 544 Ca 0.09 0.50 -0.30 0.00 0.04 0.00 0.00 61.00 61.33 1pj3 s PRO 544 Cb -0.09 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 1pj3 s PRO 544 CO 0.05 -2.22 1.19 -2.00 0.04 0.00 0.00 177.00 174.06 1pj3 s GLU 545 N -5.12 4.35 0.48 4.56 2.12 -1.26 -4.98 118.70 118.86 1pj3 s GLU 545 Ca 0.63 1.65 -0.24 0.00 0.36 0.00 0.00 54.97 57.38 1pj3 s GLU 545 Cb -0.16 -3.56 -0.07 0.00 0.26 0.00 0.00 34.13 30.60 1pj3 s GLU 545 CO 0.55 -0.44 1.36 -1.25 -0.54 0.00 0.00 175.26 174.93 1pj3 s PRO 546 N 2.22 3.52 -0.11 4.30 0.04 -1.26 -4.94 135.00 138.77 1pj3 s PRO 546 Ca 0.55 2.24 -0.26 0.00 0.04 0.00 0.00 61.00 63.58 1pj3 s PRO 546 Cb -0.24 -2.49 -0.22 0.00 0.04 0.00 0.00 34.50 31.59 1pj3 s PRO 546 CO 0.22 -0.89 0.81 1.49 0.04 0.00 0.00 177.00 178.67 1pj3 h GLU 547 N 2.01 -0.02 -3.94 4.56 4.81 -2.04 -3.39 114.58 116.56 1pj3 h GLU 547 Ca -0.51 0.00 -0.78 0.00 -0.13 0.00 0.00 59.36 57.95 1pj3 h GLU 547 Cb 1.27 0.00 -0.25 0.00 0.63 0.00 0.00 28.75 30.41 1pj3 h GLU 547 CO 0.60 0.76 -0.00 0.34 -0.73 0.00 0.00 179.01 179.97 1pj3 s ASP 548 N -6.01 6.56 0.47 1.04 -1.08 -1.26 -4.91 116.67 111.48 1pj3 s ASP 548 Ca -0.16 -2.36 0.18 0.00 -0.52 0.00 0.00 52.55 49.68 1pj3 s ASP 548 Cb -0.02 -2.21 1.16 0.00 -1.46 0.00 0.00 42.92 40.39 1pj3 s ASP 548 CO 0.62 -0.68 1.99 0.11 0.52 0.00 0.00 175.17 177.73 1pj3 h LYS 549 N 8.19 0.24 0.18 4.34 1.79 -1.96 -1.55 116.57 127.80 1pj3 h LYS 549 Ca -0.04 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 1pj3 h LYS 549 Cb 1.06 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 1pj3 h LYS 549 CO 0.86 0.16 -0.08 0.00 -1.08 0.00 0.00 179.45 179.31 1pj3 h ALA 550 N 1.73 -0.24 -0.42 3.86 0.00 -1.91 -2.43 119.26 119.86 1pj3 h ALA 550 Ca 0.25 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1pj3 h ALA 550 Cb 0.66 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1pj3 h ALA 550 CO -0.05 -0.49 0.08 -0.22 0.00 0.00 0.00 179.25 178.57 1pj3 h LYS 551 N -0.53 0.63 -0.31 0.00 3.64 -1.88 -2.03 116.57 116.09 1pj3 h LYS 551 Ca -0.02 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1pj3 h LYS 551 Cb 0.40 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1pj3 h LYS 551 CO 0.04 0.59 0.13 -0.92 -2.27 0.00 0.00 179.45 177.02 1pj3 h TYR 552 N 0.61 0.24 0.01 1.91 3.20 -1.19 -1.47 116.97 120.28 1pj3 h TYR 552 Ca 0.14 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 1pj3 h TYR 552 Cb 0.26 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.47 1pj3 h TYR 552 CO 0.01 0.12 -0.01 0.28 -1.64 0.00 0.00 178.16 176.92 1pj3 h VAL 553 N 0.28 1.35 -0.07 1.81 2.07 -1.16 -3.20 116.25 117.33 1pj3 h VAL 553 Ca 0.13 -1.10 0.02 0.00 0.82 0.00 0.00 66.70 66.57 1pj3 h VAL 553 Cb 0.07 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1pj3 h VAL 553 CO -0.11 0.28 0.06 0.11 0.02 0.00 0.00 177.57 177.93 1pj3 h LYS 554 N -0.49 0.00 0.00 1.57 1.57 -1.32 -1.26 116.57 116.64 1pj3 h LYS 554 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1pj3 h LYS 554 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1pj3 h LYS 554 CO 0.00 0.00 -0.44 0.93 -0.57 0.00 0.00 179.45 179.37 1pj3 h GLU 555 N 0.00 0.00 -0.49 3.15 5.08 -1.28 -3.29 114.58 117.74 1pj3 h GLU 555 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1pj3 h GLU 555 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1pj3 h GLU 555 CO -0.00 0.44 0.00 0.54 -1.00 0.00 0.00 179.01 178.99 1pj3 n ARG 556 N -3.47 2.57 -2.67 2.33 1.74 -0.49 -4.97 116.66 111.72 1pj3 n ARG 556 Ca 0.00 -2.40 -0.40 0.00 -0.77 0.00 0.00 57.85 54.27 1pj3 n ARG 556 Cb 0.58 -1.53 -0.05 0.00 -1.02 0.00 0.00 32.46 30.44 1pj3 n ARG 556 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1pj3 s THR 557 N -1.35 4.03 0.34 0.55 -4.23 -1.15 -4.94 115.64 108.89 1pj3 s THR 557 Ca 0.42 1.92 -0.27 0.00 -1.18 0.00 0.00 61.69 62.58 1pj3 s THR 557 Cb 0.24 -4.22 -0.09 0.00 1.34 0.00 0.00 72.50 69.76 1pj3 s THR 557 CO 0.32 0.41 1.12 0.86 -0.54 0.00 0.00 174.62 176.79 1pj3 s TRP 558 N -0.81 3.33 0.15 3.99 -0.00 0.11 -5.04 118.94 120.67 1pj3 s TRP 558 Ca 0.44 1.63 0.09 0.00 -0.00 0.00 0.00 56.10 58.25 1pj3 s TRP 558 Cb -0.27 -3.31 -0.04 0.00 -0.00 0.00 0.00 33.47 29.85 1pj3 s TRP 558 CO 0.33 -0.87 -0.11 0.50 -0.00 0.00 0.00 176.95 176.80 1pj3 s ARG 559 N -1.94 2.01 0.03 5.86 6.06 -1.26 -4.67 118.95 125.04 1pj3 s ARG 559 Ca 0.51 -1.20 0.26 0.00 -2.50 0.00 0.00 55.73 52.80 1pj3 s ARG 559 Cb -0.30 -2.18 0.66 0.00 0.06 0.00 0.00 34.95 33.19 1pj3 s ARG 559 CO 0.38 0.46 1.53 -1.13 -2.50 0.00 0.00 175.30 174.04 1pj3 n SER 560 N 0.33 0.43 -4.76 -2.12 3.41 -1.26 -4.89 113.62 104.76 1pj3 n SER 560 Ca -0.12 0.02 -0.38 0.00 -0.26 0.00 0.00 58.87 58.13 1pj3 n SER 560 Cb 0.54 0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.53 1pj3 n SER 560 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1pj3 s GLU 561 N -3.03 3.51 0.47 4.33 8.01 -1.26 -4.69 118.70 126.03 1pj3 s GLU 561 Ca 0.11 1.98 -0.23 0.00 0.01 0.00 0.00 54.97 56.84 1pj3 s GLU 561 Cb 0.17 -2.36 -0.07 0.00 -4.31 0.00 0.00 34.13 27.56 1pj3 s GLU 561 CO 0.66 -0.81 1.26 0.71 0.01 0.00 0.00 175.26 177.09 1pj3 s TYR 562 N -1.43 2.69 0.21 1.61 4.12 -1.26 -5.04 117.35 118.24 1pj3 s TYR 562 Ca 0.67 1.45 0.05 0.00 0.02 0.00 0.00 57.07 59.26 1pj3 s TYR 562 Cb -0.34 -3.58 -0.04 0.00 -1.52 0.00 0.00 41.96 36.48 1pj3 s TYR 562 CO 0.41 -2.08 0.23 -0.51 0.02 0.00 0.00 175.55 173.62 1pj3 s ASP 563 N -1.06 5.81 0.29 2.29 1.01 -1.26 -5.08 116.67 118.68 1pj3 s ASP 563 Ca 0.64 -0.08 -0.29 0.00 0.71 0.00 0.00 52.55 53.53 1pj3 s ASP 563 Cb -0.35 -1.59 -0.09 0.00 1.01 0.00 0.00 42.92 41.90 1pj3 s ASP 563 CO 0.43 -0.00 1.07 -0.55 0.21 0.00 0.00 175.17 176.32 1pj3 s SER 564 N -3.56 7.25 0.00 0.27 0.15 -1.26 -4.91 113.70 111.64 1pj3 s SER 564 Ca 0.33 2.19 0.11 0.00 0.70 0.00 0.00 55.95 59.27 1pj3 s SER 564 Cb -0.09 -2.62 0.30 0.00 -1.71 0.00 0.00 66.02 61.90 1pj3 s SER 564 CO 0.26 -0.15 1.24 0.18 1.20 0.00 0.00 173.24 175.98 1pj3 n LEU 565 N 1.04 2.90 -4.77 3.45 4.77 -1.26 -5.02 117.00 118.12 1pj3 n LEU 565 Ca -0.00 -1.97 -0.39 0.00 -0.03 0.00 0.00 56.01 53.61 1pj3 n LEU 565 Cb 0.46 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.31 1pj3 n LEU 565 CO 0.52 0.72 0.95 -0.76 -1.33 0.00 0.00 177.39 177.49 1pj3 s LEU 566 N -1.00 4.24 0.64 2.23 1.43 -1.26 -4.94 118.68 120.01 1pj3 s LEU 566 Ca 0.23 2.62 -0.15 0.00 -1.03 0.00 0.00 54.13 55.80 1pj3 s LEU 566 Cb 0.12 -3.89 -0.01 0.00 0.03 0.00 0.00 46.19 42.44 1pj3 s LEU 566 CO 0.16 -0.79 1.08 -2.84 0.23 0.00 0.00 176.35 174.18 1pj3 s PRO 567 N -2.19 3.02 -0.87 1.29 0.02 -1.26 -4.91 135.00 130.09 1pj3 s PRO 567 Ca 0.56 1.25 -0.25 0.00 0.02 0.00 0.00 61.00 62.58 1pj3 s PRO 567 Cb -0.37 -1.99 0.01 0.00 0.02 0.00 0.00 34.50 32.17 1pj3 s PRO 567 CO 0.48 -1.06 1.61 0.34 -0.33 0.00 0.00 177.00 178.04 1pj3 s ASP 568 N -2.84 5.89 -0.24 2.53 -1.08 -1.26 -4.97 116.67 114.70 1pj3 s ASP 568 Ca 0.64 -0.78 -0.10 0.00 -0.52 0.00 0.00 52.55 51.79 1pj3 s ASP 568 Cb -0.18 -2.56 -0.05 0.00 -1.46 0.00 0.00 42.92 38.68 1pj3 s ASP 568 CO 0.42 -2.03 0.14 -0.69 0.52 0.00 0.00 175.17 173.53 1pj3 s VAL 569 N 7.09 5.16 0.05 1.11 1.01 -1.26 -5.08 120.40 128.49 1pj3 s VAL 569 Ca 0.53 0.11 -0.16 0.00 0.00 0.00 0.00 61.98 62.46 1pj3 s VAL 569 Cb -0.05 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 32.95 1pj3 s VAL 569 CO 0.02 0.34 0.37 -0.72 0.00 0.00 0.00 175.10 175.10 1pj3 s TYR 570 N 1.19 -0.19 0.28 5.22 -0.85 -1.26 -5.17 117.35 116.57 1pj3 s TYR 570 Ca 0.07 0.08 -0.09 0.00 -0.52 0.00 0.00 57.07 56.61 1pj3 s TYR 570 Cb -0.14 0.17 -0.07 0.00 0.38 0.00 0.00 41.96 42.31 1pj3 s TYR 570 CO 0.05 -0.56 0.59 -2.00 -1.52 0.00 0.00 175.55 172.11 1pj3 s GLU 571 N -2.69 3.77 0.08 -3.49 2.56 -1.26 -5.09 118.70 112.58 1pj3 s GLU 571 Ca -0.04 0.25 -0.06 0.00 0.00 0.00 0.00 54.97 55.13 1pj3 s GLU 571 Cb -0.00 -2.60 -0.05 0.00 2.00 0.00 0.00 34.13 33.48 1pj3 s GLU 571 CO -0.04 0.23 0.33 -1.58 -0.56 0.00 0.00 175.26 173.64 1pj3 s TRP 572 N -1.98 3.53 -0.06 5.30 0.52 -1.26 -5.35 118.94 119.65 1pj3 s TRP 572 Ca 0.47 0.56 0.00 0.00 0.02 0.00 0.00 56.10 57.16 1pj3 s TRP 572 Cb -0.11 -2.00 0.00 0.00 -1.15 0.00 0.00 33.47 30.22 1pj3 s TRP 572 CO 0.25 0.52 0.02 -2.30 0.02 0.00 0.00 176.95 175.46