#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nnb s GLU 4 N 0.00 4.64 0.09 1.97 0.41 -1.26 -4.60 118.70 119.95 2nnb s GLU 4 Ca 0.00 1.67 -0.30 0.00 -0.41 0.00 0.00 54.97 55.92 2nnb s GLU 4 Cb 0.00 -3.28 -0.05 0.00 -1.78 0.00 0.00 34.13 29.01 2nnb s GLU 4 CO 0.00 0.16 1.04 1.41 -0.49 0.00 0.00 175.26 177.38 2nnb s MET 5 N -0.54 4.59 0.72 1.61 1.75 -1.26 -5.01 119.30 121.17 2nnb s MET 5 Ca 0.47 1.56 -0.16 0.00 -1.25 0.00 0.00 55.69 56.32 2nnb s MET 5 Cb -0.28 -3.37 0.01 0.00 2.84 0.00 0.00 34.83 34.03 2nnb s MET 5 CO 0.35 0.03 1.00 -2.30 -0.65 0.00 0.00 175.02 173.44 2nnb n PRO 6 N 3.18 0.51 -3.63 4.11 -0.02 -1.26 -4.72 135.00 133.16 2nnb n PRO 6 Ca 0.05 0.23 -0.12 0.00 -2.02 0.00 0.00 63.50 61.64 2nnb n PRO 6 Cb 0.48 -2.25 -0.07 0.00 -0.02 0.00 0.00 33.50 31.64 2nnb n PRO 6 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2nnb s GLN 7 N -3.39 0.78 1.01 -0.52 0.74 -1.26 -0.70 119.66 116.31 2nnb s GLN 7 Ca 0.74 1.00 -0.14 0.00 0.05 0.00 0.00 55.36 57.01 2nnb s GLN 7 Cb -0.34 0.34 0.19 0.00 1.10 0.00 0.00 33.01 34.30 2nnb s GLN 7 CO 0.50 -0.10 1.12 -2.14 -0.55 0.00 0.00 175.29 174.11 2nnb s PRO 8 N 0.60 0.37 0.16 1.67 0.02 -1.26 -4.92 135.00 131.64 2nnb s PRO 8 Ca -0.02 0.30 -0.34 0.00 0.02 0.00 0.00 61.00 60.97 2nnb s PRO 8 Cb -0.05 -1.75 -0.14 0.00 0.02 0.00 0.00 34.50 32.58 2nnb s PRO 8 CO -0.04 -2.72 1.58 1.17 -0.33 0.00 0.00 177.00 176.66 2nnb n LYS 9 N -4.13 2.15 -3.62 5.54 3.00 -1.26 -4.92 118.16 114.93 2nnb n LYS 9 Ca 0.07 0.78 -0.32 0.00 -0.00 0.00 0.00 58.31 58.84 2nnb n LYS 9 Cb 0.58 -2.55 -0.05 0.00 0.00 0.00 0.00 35.03 33.02 2nnb n LYS 9 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2nnb s THR 10 N 0.95 5.12 -0.66 3.15 -4.23 -1.26 -4.43 115.64 114.27 2nnb s THR 10 Ca 0.79 0.13 0.05 0.00 -1.18 0.00 0.00 61.69 61.48 2nnb s THR 10 Cb -0.68 -3.62 0.16 0.00 1.34 0.00 0.00 72.50 69.70 2nnb s THR 10 CO 0.38 0.02 0.45 -0.36 -0.54 0.00 0.00 174.62 174.57 2nnb s PHE 11 N -1.68 3.34 0.00 3.99 0.40 0.87 -4.92 117.98 119.98 2nnb s PHE 11 Ca 0.42 -3.24 0.00 0.00 -0.60 0.00 0.00 56.93 53.51 2nnb s PHE 11 Cb -0.12 -2.60 0.00 0.00 0.51 0.00 0.00 43.02 40.81 2nnb s PHE 11 CO 0.24 -0.59 0.00 0.41 0.70 0.00 0.00 175.22 175.98 2nnb n GLY 12 N 2.19 2.38 0.29 4.36 0.00 -1.26 -1.71 105.19 111.45 2nnb n GLY 12 Ca 0.18 -0.17 0.19 0.00 0.00 0.00 0.00 46.02 46.23 2nnb n GLY 12 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2nnb h GLU 13 N 0.00 0.00 0.00 1.61 9.09 -2.05 -2.18 114.58 121.05 2nnb h GLU 13 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2nnb h GLU 13 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2nnb h GLU 13 CO 0.00 0.00 0.00 -0.07 0.05 0.00 0.00 179.01 178.99 2nnb h LEU 14 N 0.00 0.00 0.00 3.06 3.38 -1.75 -3.39 115.31 116.60 2nnb h LEU 14 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2nnb h LEU 14 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2nnb h LEU 14 CO 0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 2nnb n LYS 15 N -2.65 0.00 0.00 1.13 4.76 -0.82 -1.98 118.16 118.60 2nnb n LYS 15 Ca 0.04 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.61 2nnb n LYS 15 Cb 0.40 0.00 0.37 0.00 -1.84 0.00 0.00 35.03 33.96 2nnb n LYS 15 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2nnb n ASN 16 N 3.43 1.04 -0.34 4.39 3.02 -0.04 -0.09 115.26 126.66 2nnb n ASN 16 Ca 0.00 -0.89 0.19 0.00 -0.03 0.00 0.00 54.58 53.84 2nnb n ASN 16 Cb 0.00 0.14 0.41 0.00 -0.61 0.00 0.00 39.78 39.72 2nnb n ASN 16 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2nnb h LEU 17 N 1.21 0.63 -1.48 3.41 5.85 -1.42 0.37 115.31 123.88 2nnb h LEU 17 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2nnb h LEU 17 Cb 0.51 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2nnb h LEU 17 CO 0.00 0.09 0.00 -0.65 -0.34 0.00 0.00 178.44 177.54 2nnb h PRO 18 N 0.54 0.00 -0.00 5.25 0.11 -1.79 -1.56 132.00 134.56 2nnb h PRO 18 Ca 0.64 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.75 2nnb h PRO 18 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2nnb h PRO 18 CO -0.45 0.00 -0.35 1.28 -0.21 0.00 0.00 178.00 178.27 2nnb n LEU 19 N -2.30 0.46 -3.12 2.35 4.77 0.12 -3.94 117.00 115.34 2nnb n LEU 19 Ca -0.01 0.07 -0.30 0.00 -0.03 0.00 0.00 56.01 55.73 2nnb n LEU 19 Cb 0.04 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 2nnb n LEU 19 CO 0.11 0.11 0.44 0.18 -1.33 0.00 0.00 177.39 176.89 2nnb n LEU 20 N -1.36 5.12 -3.55 2.23 4.77 -0.58 -4.93 117.00 118.70 2nnb n LEU 20 Ca 0.07 -5.61 -0.40 0.00 -0.03 0.00 0.00 56.01 50.04 2nnb n LEU 20 Cb 0.33 -0.70 -0.00 0.00 -2.33 0.00 0.00 43.42 40.72 2nnb n LEU 20 CO 0.32 2.27 2.25 -0.46 -1.33 0.00 0.00 177.39 180.44 2nnb n ASN 21 N -0.15 7.62 -3.53 -1.43 6.94 -1.25 -4.92 115.26 118.53 2nnb n ASN 21 Ca 0.34 -3.19 -0.13 0.00 -0.02 0.00 0.00 54.58 51.59 2nnb n ASN 21 Cb 0.36 -1.36 -0.04 0.00 -2.36 0.00 0.00 39.78 36.38 2nnb n ASN 21 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2nnb s THR 22 N -1.24 0.02 -2.03 5.53 -1.32 -1.26 -5.00 115.64 110.33 2nnb s THR 22 Ca 0.51 -0.19 0.21 0.00 -1.21 0.00 0.00 61.69 61.00 2nnb s THR 22 Cb 0.17 -1.01 0.57 0.00 -1.51 0.00 0.00 72.50 70.72 2nnb s THR 22 CO -0.08 -0.11 1.48 0.47 -2.21 0.00 0.00 174.62 174.17 2nnb n ASP 23 N 0.15 3.51 -3.13 8.08 8.00 -1.26 -4.49 116.55 127.40 2nnb n ASP 23 Ca -0.18 -2.00 -0.25 0.00 0.71 0.00 0.00 54.79 53.07 2nnb n ASP 23 Cb 0.62 -0.43 -0.05 0.00 -0.02 0.00 0.00 41.12 41.24 2nnb n ASP 23 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2nnb n LYS 24 N 1.42 2.48 -0.02 -1.24 5.02 -1.26 -4.34 118.16 120.22 2nnb n LYS 24 Ca 0.22 -4.44 -0.09 0.00 -2.02 0.00 0.00 58.31 51.98 2nnb n LYS 24 Cb 0.56 -2.07 0.08 0.00 -0.02 0.00 0.00 35.03 33.57 2nnb n LYS 24 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2nnb h PRO 25 N 3.40 0.62 -0.12 1.97 0.13 -1.95 -1.89 132.00 134.16 2nnb h PRO 25 Ca 0.14 -0.33 0.03 0.00 -0.87 0.00 0.00 66.00 64.97 2nnb h PRO 25 Cb 0.65 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.76 2nnb h PRO 25 CO 0.74 0.93 -0.06 0.28 -0.23 0.00 0.00 178.00 179.66 2nnb h VAL 26 N 0.51 0.80 -0.94 1.56 2.07 -1.98 0.24 116.25 118.51 2nnb h VAL 26 Ca 0.04 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.63 2nnb h VAL 26 Cb 0.95 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 2nnb h VAL 26 CO 0.09 0.00 0.61 1.56 0.02 0.00 0.00 177.57 179.84 2nnb h GLN 27 N -0.05 1.01 -0.30 1.57 4.20 -1.92 -0.24 115.11 119.38 2nnb h GLN 27 Ca 0.07 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.58 2nnb h GLN 27 Cb 0.16 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2nnb h GLN 27 CO -0.15 0.67 -0.37 0.00 -0.67 0.00 0.00 178.83 178.30 2nnb h ALA 28 N 1.51 0.79 -0.31 3.87 0.00 -0.64 -3.00 119.26 121.48 2nnb h ALA 28 Ca 0.42 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2nnb h ALA 28 Cb 0.26 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2nnb h ALA 28 CO -0.17 0.65 -0.17 -0.07 0.00 0.00 0.00 179.25 179.49 2nnb h LEU 29 N 0.57 0.55 -1.30 0.00 3.38 0.29 -1.79 115.31 117.01 2nnb h LEU 29 Ca 0.05 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2nnb h LEU 29 Cb 0.89 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2nnb h LEU 29 CO 0.08 0.74 0.16 0.24 0.09 0.00 0.00 178.44 179.74 2nnb h MET 30 N 0.50 0.64 -0.11 1.13 2.86 -0.99 0.59 114.93 119.55 2nnb h MET 30 Ca 0.08 -0.09 -0.15 0.00 -2.06 0.00 0.00 59.70 57.48 2nnb h MET 30 Cb 0.59 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 2nnb h MET 30 CO 0.04 0.55 -0.58 0.87 1.06 0.00 0.00 176.91 178.85 2nnb h LYS 31 N 0.63 0.34 -0.37 1.72 1.57 -1.21 -1.03 116.57 118.22 2nnb h LYS 31 Ca 0.15 -0.23 -0.13 0.00 -1.87 0.00 0.00 60.65 58.57 2nnb h LYS 31 Cb 0.16 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2nnb h LYS 31 CO -0.01 0.83 -0.29 0.82 -0.57 0.00 0.00 179.45 180.22 2nnb h ILE 32 N 0.26 1.28 -0.91 1.86 2.04 -0.93 -2.60 117.51 118.51 2nnb h ILE 32 Ca -0.00 -1.45 0.05 0.00 1.00 0.00 0.00 64.86 64.45 2nnb h ILE 32 Cb 1.09 1.40 -0.06 0.00 -0.74 0.00 0.00 36.82 38.51 2nnb h ILE 32 CO 0.10 0.48 0.58 0.00 0.00 0.00 0.00 178.15 179.31 2nnb h ALA 33 N 0.77 1.23 -0.56 1.87 0.00 -0.67 0.31 119.26 122.21 2nnb h ALA 33 Ca 0.07 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.01 2nnb h ALA 33 Cb 0.87 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2nnb h ALA 33 CO 0.08 0.39 0.37 -0.44 0.00 0.00 0.00 179.25 179.65 2nnb h ASP 34 N 1.09 0.44 0.18 0.00 3.32 -0.96 0.18 116.42 120.67 2nnb h ASP 34 Ca 0.38 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.16 2nnb h ASP 34 Cb 0.09 -0.09 0.02 0.00 0.22 0.00 0.00 39.33 39.57 2nnb h ASP 34 CO -0.15 0.29 -1.24 -0.08 -1.72 0.00 0.00 179.24 176.34 2nnb h GLU 35 N 0.50 0.38 0.00 3.56 4.81 -0.72 -3.40 114.58 119.73 2nnb h GLU 35 Ca 0.24 -0.66 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 2nnb h GLU 35 Cb 0.31 0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2nnb h GLU 35 CO -0.07 1.31 -0.96 1.28 -0.73 0.00 0.00 179.01 179.84 2nnb n LEU 36 N -3.90 0.79 0.00 1.64 4.77 0.92 -5.09 117.00 116.14 2nnb n LEU 36 Ca -0.18 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 2nnb n LEU 36 Cb 0.96 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.05 2nnb n LEU 36 CO 0.52 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 2nnb n GLY 37 N 1.43 -0.91 0.15 -0.72 0.00 0.61 -4.65 105.19 101.10 2nnb n GLY 37 Ca 0.03 -1.58 0.13 0.00 0.00 0.00 0.00 46.02 44.60 2nnb n GLY 37 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2nnb h GLU 38 N 0.00 0.00 -3.00 1.61 4.11 -1.92 -3.42 114.58 111.96 2nnb h GLU 38 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.28 2nnb h GLU 38 Cb 0.00 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.00 2nnb h GLU 38 CO 0.00 0.00 -0.37 -1.50 0.07 0.00 0.00 179.01 177.21 2nnb s ILE 39 N -3.26 -0.00 -0.03 -1.06 2.07 -1.26 -0.04 121.20 117.62 2nnb s ILE 39 Ca 0.07 0.01 -0.14 0.00 -1.41 0.00 0.00 60.65 59.17 2nnb s ILE 39 Cb 0.10 -0.43 0.02 0.00 0.13 0.00 0.00 42.46 42.28 2nnb s ILE 39 CO 0.53 0.00 0.31 0.72 -1.91 0.00 0.00 174.94 174.59 2nnb s PHE 40 N 0.21 -0.20 0.28 3.50 -0.12 -0.88 -4.36 117.98 116.41 2nnb s PHE 40 Ca -0.00 0.35 -0.20 0.00 -0.05 0.00 0.00 56.93 57.03 2nnb s PHE 40 Cb -0.02 0.10 -0.09 0.00 -0.63 0.00 0.00 43.02 42.37 2nnb s PHE 40 CO -0.00 -0.36 0.79 0.21 -0.05 0.00 0.00 175.22 175.82 2nnb s LYS 41 N -1.10 4.28 -0.05 1.99 2.20 0.12 -1.12 119.74 126.05 2nnb s LYS 41 Ca -0.12 0.95 -0.01 0.00 -0.36 0.00 0.00 55.97 56.44 2nnb s LYS 41 Cb -0.05 -2.72 0.03 0.00 -1.51 0.00 0.00 37.83 33.58 2nnb s LYS 41 CO 0.04 0.29 0.01 0.12 -0.36 0.00 0.00 175.35 175.45 2nnb s PHE 42 N -1.69 0.44 0.02 4.03 5.36 0.57 -4.15 117.98 122.56 2nnb s PHE 42 Ca 0.48 -0.03 0.08 0.00 -0.96 0.00 0.00 56.93 56.50 2nnb s PHE 42 Cb -0.15 -0.61 -0.03 0.00 -0.34 0.00 0.00 43.02 41.89 2nnb s PHE 42 CO 0.20 -0.23 -0.22 -1.21 -1.46 0.00 0.00 175.22 172.30 2nnb s GLU 43 N 1.66 2.02 0.26 10.12 2.02 -1.26 -1.72 118.70 131.80 2nnb s GLU 43 Ca -0.01 -0.99 0.03 0.00 0.02 0.00 0.00 54.97 54.02 2nnb s GLU 43 Cb -0.13 -2.10 -0.05 0.00 0.10 0.00 0.00 34.13 31.95 2nnb s GLU 43 CO -0.03 0.54 0.05 0.00 0.02 0.00 0.00 175.26 175.84 2nnb s ALA 44 N -0.80 1.88 0.22 5.21 0.00 -0.81 -0.86 121.76 126.60 2nnb s ALA 44 Ca 0.12 -1.87 -0.20 0.00 0.00 0.00 0.00 51.96 50.02 2nnb s ALA 44 Cb -0.10 0.76 0.18 0.00 0.00 0.00 0.00 23.12 23.96 2nnb s ALA 44 CO 0.02 -0.35 1.55 -1.35 0.00 0.00 0.00 175.76 175.63 2nnb h PRO 45 N 2.36 -0.01 -0.47 0.00 0.11 -1.77 -1.48 132.00 130.74 2nnb h PRO 45 Ca -0.39 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.64 2nnb h PRO 45 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 2nnb h PRO 45 CO 0.64 -0.00 -0.02 0.78 -0.21 0.00 0.00 178.00 179.18 2nnb h GLY 46 N -0.01 0.86 -2.22 -0.55 0.00 -1.96 -3.48 103.07 95.71 2nnb h GLY 46 Ca 0.31 -0.59 -0.36 0.00 0.00 0.00 0.00 47.33 46.68 2nnb h GLY 46 CO -0.98 0.55 -0.59 -1.60 0.00 0.00 0.00 176.54 173.92 2nnb s ARG 47 N -4.94 1.47 -0.03 4.80 6.06 -0.56 -5.14 118.95 120.61 2nnb s ARG 47 Ca -0.09 -1.81 0.02 0.00 -2.50 0.00 0.00 55.73 51.34 2nnb s ARG 47 Cb 0.14 -0.11 0.01 0.00 0.06 0.00 0.00 34.95 35.05 2nnb s ARG 47 CO 0.81 -0.38 -0.06 0.08 -2.50 0.00 0.00 175.30 173.25 2nnb s VAL 48 N -3.74 0.56 0.08 7.11 1.01 -1.26 -1.92 120.40 122.24 2nnb s VAL 48 Ca 0.37 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 2nnb s VAL 48 Cb 0.06 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 2nnb s VAL 48 CO 0.15 0.20 -0.00 -0.89 0.00 0.00 0.00 175.10 174.56 2nnb s THR 49 N 0.40 0.20 -0.11 3.92 2.01 -0.70 -4.73 115.64 116.63 2nnb s THR 49 Ca -0.05 -1.85 0.00 0.00 0.31 0.00 0.00 61.69 60.10 2nnb s THR 49 Cb -0.09 -1.71 0.02 0.00 0.01 0.00 0.00 72.50 70.73 2nnb s THR 49 CO 0.00 -0.81 -0.11 -0.13 -0.69 0.00 0.00 174.62 172.89 2nnb s ARG 50 N -3.96 1.79 -0.24 4.92 0.52 -1.16 -0.32 118.95 120.51 2nnb s ARG 50 Ca 0.13 -0.38 -0.16 0.00 -0.52 0.00 0.00 55.73 54.81 2nnb s ARG 50 Cb 0.08 -1.69 -0.04 0.00 0.52 0.00 0.00 34.95 33.82 2nnb s ARG 50 CO -0.06 -0.18 0.40 0.71 0.02 0.00 0.00 175.30 176.19 2nnb s TYR 51 N 1.38 3.30 -0.15 -0.53 1.51 -0.28 -0.08 117.35 122.51 2nnb s TYR 51 Ca -0.00 0.52 -0.06 0.00 -1.01 0.00 0.00 57.07 56.53 2nnb s TYR 51 Cb -0.13 -2.56 -0.04 0.00 -0.11 0.00 0.00 41.96 39.11 2nnb s TYR 51 CO -0.06 -0.14 0.05 -0.51 -1.11 0.00 0.00 175.55 173.79 2nnb s LEU 52 N 1.76 3.79 0.00 -1.29 1.02 -0.37 -2.07 118.68 121.52 2nnb s LEU 52 Ca 0.17 0.14 0.00 0.00 0.02 0.00 0.00 54.13 54.46 2nnb s LEU 52 Cb -0.15 -1.93 0.00 0.00 0.02 0.00 0.00 46.19 44.13 2nnb s LEU 52 CO 0.09 0.26 0.00 -1.20 0.02 0.00 0.00 176.35 175.52 2nnb n SER 53 N 2.95 3.37 -4.90 2.29 7.64 0.94 -1.54 113.62 124.36 2nnb n SER 53 Ca -0.18 -0.08 -0.31 0.00 1.01 0.00 0.00 58.87 59.32 2nnb n SER 53 Cb 0.53 0.84 -0.04 0.00 -1.01 0.00 0.00 64.21 64.52 2nnb n SER 53 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2nnb s SER 54 N -1.51 6.47 0.43 6.43 1.04 -1.23 -2.81 113.70 122.52 2nnb s SER 54 Ca 0.00 0.57 0.15 0.00 0.48 0.00 0.00 55.95 57.15 2nnb s SER 54 Cb 0.00 -2.08 1.05 0.00 0.10 0.00 0.00 66.02 65.09 2nnb s SER 54 CO 0.00 0.02 1.96 -0.61 0.98 0.00 0.00 173.24 175.59 2nnb h GLN 55 N 2.64 0.39 -0.22 4.02 -0.00 -1.90 -1.49 115.11 118.55 2nnb h GLN 55 Ca -0.46 -0.02 -0.14 0.00 -0.00 0.00 0.00 58.65 58.02 2nnb h GLN 55 Cb 1.17 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 28.56 2nnb h GLN 55 CO 0.72 0.26 -0.41 0.07 0.00 0.00 0.00 178.83 179.46 2nnb h ARG 56 N 0.40 0.66 -0.02 1.69 0.11 -1.95 -1.06 114.38 114.21 2nnb h ARG 56 Ca 0.31 -0.42 -0.19 0.00 0.10 0.00 0.00 59.98 59.78 2nnb h ARG 56 Cb 0.66 0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.78 2nnb h ARG 56 CO -0.09 1.04 -0.83 -0.07 0.10 0.00 0.00 179.97 180.12 2nnb h LEU 57 N 0.35 0.33 -0.50 0.08 3.38 -1.93 -3.26 115.31 113.77 2nnb h LEU 57 Ca 0.01 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 2nnb h LEU 57 Cb 1.01 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2nnb h LEU 57 CO 0.09 1.02 0.03 0.40 0.09 0.00 0.00 178.44 180.07 2nnb h ILE 58 N 0.16 1.26 -0.87 1.22 2.04 -1.17 -0.82 117.51 119.34 2nnb h ILE 58 Ca -0.04 -1.03 0.23 0.00 1.00 0.00 0.00 64.86 65.02 2nnb h ILE 58 Cb 1.43 0.95 -0.14 0.00 -0.74 0.00 0.00 36.82 38.32 2nnb h ILE 58 CO 0.13 0.36 0.21 0.50 0.00 0.00 0.00 178.15 179.36 2nnb h LYS 59 N 0.72 0.19 -0.15 2.37 3.11 -1.27 -0.38 116.57 121.16 2nnb h LYS 59 Ca 0.14 -0.01 -0.10 0.00 -2.81 0.00 0.00 60.65 57.88 2nnb h LYS 59 Cb 0.47 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.66 2nnb h LYS 59 CO 0.02 0.13 -0.28 0.93 -2.81 0.00 0.00 179.45 177.44 2nnb h GLU 60 N 0.20 0.46 0.00 1.90 5.08 -1.45 -2.96 114.58 117.81 2nnb h GLU 60 Ca 0.54 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 2nnb h GLU 60 Cb 1.07 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 2nnb h GLU 60 CO -0.66 0.89 -0.04 0.00 -1.00 0.00 0.00 179.01 178.20 2nnb h ALA 61 N 0.57 1.18 -0.05 3.43 0.00 -0.56 -2.29 119.26 121.54 2nnb h ALA 61 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2nnb h ALA 61 Cb 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2nnb h ALA 61 CO 0.06 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.36 2nnb s ASP 63 N -1.87 5.83 0.25 0.00 -1.08 -0.86 -4.88 116.67 114.07 2nnb s ASP 63 Ca 0.37 0.26 0.21 0.00 -0.52 0.00 0.00 52.55 52.86 2nnb s ASP 63 Cb 0.20 -2.54 0.98 0.00 -1.46 0.00 0.00 42.92 40.10 2nnb s ASP 63 CO 0.31 -1.95 1.63 -0.62 0.52 0.00 0.00 175.17 175.06 2nnb n GLU 64 N 8.94 0.15 0.06 4.34 1.02 -1.26 -1.16 120.64 132.73 2nnb n GLU 64 Ca 0.14 0.51 0.13 0.00 -0.02 0.00 0.00 57.16 57.92 2nnb n GLU 64 Cb 0.50 -1.86 0.42 0.00 -0.02 0.00 0.00 31.44 30.48 2nnb n GLU 64 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2nnb n SER 65 N -2.16 0.54 -0.03 1.62 3.41 -1.26 -4.09 113.62 111.65 2nnb n SER 65 Ca 0.01 0.43 -0.03 0.00 -0.26 0.00 0.00 58.87 59.02 2nnb n SER 65 Cb 0.13 -0.50 -0.04 0.00 -0.26 0.00 0.00 64.21 63.53 2nnb n SER 65 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2nnb n ARG 66 N -1.97 3.11 -4.11 4.33 1.74 -0.31 -4.91 116.66 114.54 2nnb n ARG 66 Ca 0.06 -0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.98 2nnb n ARG 66 Cb 0.40 -1.14 -0.15 0.00 -1.02 0.00 0.00 32.46 30.55 2nnb n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2nnb s PHE 67 N -2.13 0.41 0.23 -1.55 0.08 -0.48 -0.46 117.98 114.08 2nnb s PHE 67 Ca -0.03 -0.08 0.05 0.00 0.12 0.00 0.00 56.93 57.00 2nnb s PHE 67 Cb 0.02 -0.28 -0.05 0.00 -0.57 0.00 0.00 43.02 42.13 2nnb s PHE 67 CO 0.22 -0.02 -0.06 0.34 -0.10 0.00 0.00 175.22 175.60 2nnb s ASP 68 N -0.02 2.28 0.28 1.36 2.15 -1.00 -4.04 116.67 117.69 2nnb s ASP 68 Ca 0.01 -1.14 -0.30 0.00 0.43 0.00 0.00 52.55 51.54 2nnb s ASP 68 Cb -0.03 -0.08 -0.11 0.00 -0.30 0.00 0.00 42.92 42.40 2nnb s ASP 68 CO -0.00 -0.37 1.53 -0.75 -0.17 0.00 0.00 175.17 175.41 2nnb s LYS 69 N -3.76 4.18 -0.10 4.34 2.20 -1.26 -1.09 119.74 124.24 2nnb s LYS 69 Ca 0.26 2.47 -0.06 0.00 -0.36 0.00 0.00 55.97 58.27 2nnb s LYS 69 Cb 0.03 -3.06 -0.04 0.00 -1.51 0.00 0.00 37.83 33.26 2nnb s LYS 69 CO 0.08 -0.55 0.14 1.21 -0.36 0.00 0.00 175.35 175.88 2nnb s ASN 70 N 0.44 6.36 -0.54 1.43 2.47 -0.12 -4.72 114.94 120.25 2nnb s ASN 70 Ca 0.62 0.44 -0.24 0.00 0.42 0.00 0.00 52.86 54.09 2nnb s ASN 70 Cb -0.45 -2.04 0.04 0.00 -1.45 0.00 0.00 41.25 37.34 2nnb s ASN 70 CO 0.46 0.39 0.94 -0.76 -3.72 0.00 0.00 177.10 174.41 2nnb s LEU 71 N -1.16 4.08 1.26 3.21 1.43 -1.26 -4.54 118.68 121.69 2nnb s LEU 71 Ca 0.17 -0.29 -0.19 0.00 -1.03 0.00 0.00 54.13 52.78 2nnb s LEU 71 Cb -0.12 -2.87 0.31 0.00 0.03 0.00 0.00 46.19 43.53 2nnb s LEU 71 CO 0.06 -1.21 1.03 -0.94 0.23 0.00 0.00 176.35 175.52 2nnb s SER 72 N 2.78 0.32 0.15 2.29 1.04 -1.26 -4.69 113.70 114.34 2nnb s SER 72 Ca 0.31 0.87 -0.11 0.00 0.48 0.00 0.00 55.95 57.50 2nnb s SER 72 Cb -0.12 -1.27 0.02 0.00 0.10 0.00 0.00 66.02 64.74 2nnb s SER 72 CO 0.20 -4.52 1.58 -0.61 0.98 0.00 0.00 173.24 170.87 2nnb h GLN 73 N -2.85 0.95 -0.33 4.02 5.75 -1.99 0.65 115.11 121.32 2nnb h GLN 73 Ca -0.48 -0.35 0.07 0.00 -0.15 0.00 0.00 58.65 57.75 2nnb h GLN 73 Cb 1.32 -0.06 -0.08 0.00 1.07 0.00 0.00 27.48 29.73 2nnb h GLN 73 CO 0.36 1.01 -0.32 0.00 -2.65 0.00 0.00 178.83 177.24 2nnb h ALA 74 N 0.90 -0.21 -0.48 3.38 0.00 -1.92 -0.14 119.26 120.80 2nnb h ALA 74 Ca 0.13 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2nnb h ALA 74 Cb 0.65 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2nnb h ALA 74 CO 0.04 -0.73 0.23 -0.07 0.00 0.00 0.00 179.25 178.72 2nnb h LEU 75 N -0.28 0.59 -0.78 0.00 3.38 -1.70 -1.37 115.31 115.15 2nnb h LEU 75 Ca 0.15 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2nnb h LEU 75 Cb 0.53 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2nnb h LEU 75 CO -0.49 0.51 0.02 0.11 0.09 0.00 0.00 178.44 178.68 2nnb h LYS 76 N 0.66 0.94 -0.20 1.13 1.57 0.37 0.20 116.57 121.23 2nnb h LYS 76 Ca 0.17 -0.27 -0.12 0.00 -1.87 0.00 0.00 60.65 58.55 2nnb h LYS 76 Cb 0.07 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2nnb h LYS 76 CO -0.02 0.92 -0.40 0.74 -0.57 0.00 0.00 179.45 180.11 2nnb h PHE 77 N 0.87 0.55 -0.18 -1.35 0.04 -0.55 -2.93 116.94 113.39 2nnb h PHE 77 Ca 0.16 -0.15 -0.09 0.00 2.80 0.00 0.00 57.97 60.69 2nnb h PHE 77 Cb 0.49 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 2nnb h PHE 77 CO 0.03 0.80 -0.30 0.28 -0.60 0.00 0.00 178.31 178.52 2nnb h VAL 78 N 0.38 1.27 -0.20 -0.55 2.07 -0.91 -2.82 116.25 115.49 2nnb h VAL 78 Ca 0.03 -1.30 0.06 0.00 0.82 0.00 0.00 66.70 66.31 2nnb h VAL 78 Cb 0.87 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 2nnb h VAL 78 CO 0.07 0.40 0.20 -0.09 0.02 0.00 0.00 177.57 178.17 2nnb h ARG 79 N 0.30 0.00 -0.03 1.57 2.43 -0.77 0.91 114.38 118.80 2nnb h ARG 79 Ca 0.04 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2nnb h ARG 79 Cb 0.69 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2nnb h ARG 79 CO 0.05 0.00 0.11 -0.44 -1.51 0.00 0.00 179.97 178.18 2nnb h ASP 80 N 0.00 0.00 0.00 -3.80 3.32 -1.52 0.29 116.42 114.71 2nnb h ASP 80 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2nnb h ASP 80 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2nnb h ASP 80 CO -0.00 0.00 -0.49 2.22 -1.72 0.00 0.00 179.24 179.25 2nnb n PHE 81 N -3.25 0.00 0.68 4.55 1.16 -0.57 -4.70 117.46 115.33 2nnb n PHE 81 Ca -0.02 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.67 2nnb n PHE 81 Cb 0.18 0.00 0.07 0.00 -1.61 0.00 0.00 39.48 38.12 2nnb n PHE 81 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2nnb n ALA 82 N -0.98 3.48 -0.98 1.98 0.00 0.21 -4.92 120.51 119.30 2nnb n ALA 82 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2nnb n ALA 82 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2nnb n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nnb n GLY 83 N 1.40 3.02 2.28 0.00 0.00 0.10 -2.35 105.19 109.64 2nnb n GLY 83 Ca 0.03 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 2nnb n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2nnb n ASP 84 N 1.15 7.27 -4.51 1.61 5.75 -1.26 -4.55 116.55 122.00 2nnb n ASP 84 Ca 0.00 -3.70 -0.28 0.00 -0.01 0.00 0.00 54.79 50.79 2nnb n ASP 84 Cb 0.00 -0.97 0.23 0.00 -1.03 0.00 0.00 41.12 39.35 2nnb n ASP 84 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2nnb s GLY 85 N -1.60 1.54 0.28 6.12 0.00 -0.99 -4.67 107.32 108.00 2nnb s GLY 85 Ca 0.61 -0.29 0.00 0.00 0.00 0.00 0.00 44.72 45.04 2nnb s GLY 85 CO 0.00 0.42 1.86 1.41 0.00 0.00 0.00 173.10 176.79 2nnb h LEU 86 N -2.44 0.96 -0.77 0.66 3.38 -1.90 -2.84 115.31 112.38 2nnb h LEU 86 Ca -0.59 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.28 2nnb h LEU 86 Cb 1.34 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 2nnb h LEU 86 CO 0.53 0.56 -0.61 0.15 0.09 0.00 0.00 178.44 179.15 2nnb h PHE 87 N 1.05 0.00 -0.05 1.13 3.57 -1.94 -3.27 116.94 117.43 2nnb h PHE 87 Ca 0.47 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.95 2nnb h PHE 87 Cb 0.36 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2nnb h PHE 87 CO -0.00 0.61 -0.14 0.25 -2.23 0.00 0.00 178.31 176.80 2nnb n THR 88 N -3.79 2.06 -4.15 4.41 -2.24 -1.09 -5.01 114.28 104.47 2nnb n THR 88 Ca -0.01 -2.52 -0.28 0.00 -2.27 0.00 0.00 64.05 58.97 2nnb n THR 88 Cb 0.61 -0.25 -0.08 0.00 -2.10 0.00 0.00 70.33 68.52 2nnb n THR 88 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2nnb s SER 89 N -2.86 4.98 0.59 3.42 1.04 -1.13 -4.79 113.70 114.95 2nnb s SER 89 Ca 0.35 -0.26 -0.16 0.00 0.48 0.00 0.00 55.95 56.36 2nnb s SER 89 Cb 0.32 -1.15 -0.04 0.00 0.10 0.00 0.00 66.02 65.25 2nnb s SER 89 CO 0.01 0.12 1.07 0.26 0.98 0.00 0.00 173.24 175.68 2nnb s TRP 90 N -1.54 2.91 0.52 5.02 0.52 -1.26 -4.94 118.94 120.17 2nnb s TRP 90 Ca 0.27 1.53 0.18 0.00 0.02 0.00 0.00 56.10 58.10 2nnb s TRP 90 Cb -0.10 -3.06 1.33 0.00 -1.15 0.00 0.00 33.47 30.49 2nnb s TRP 90 CO 0.19 -1.21 2.15 1.15 0.02 0.00 0.00 176.95 179.25 2nnb h THR 91 N 0.55 0.94 0.00 2.01 2.02 -1.97 -2.45 112.91 114.01 2nnb h THR 91 Ca -0.47 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 66.64 2nnb h THR 91 Cb 1.23 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 2nnb h THR 91 CO 0.57 0.02 -0.12 0.00 0.37 0.00 0.00 175.52 176.35 2nnb n HIS 92 N -4.40 0.84 -1.95 3.16 1.44 -1.26 -4.55 115.22 108.50 2nnb n HIS 92 Ca -0.03 0.24 -0.41 0.00 -2.01 0.00 0.00 57.72 55.51 2nnb n HIS 92 Cb 0.11 -0.87 -0.02 0.00 0.12 0.00 0.00 29.99 29.32 2nnb n HIS 92 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2nnb s GLU 93 N -3.11 4.23 0.32 -1.40 2.02 -0.92 -4.91 118.70 114.92 2nnb s GLU 93 Ca 0.10 2.38 0.00 0.00 0.02 0.00 0.00 54.97 57.47 2nnb s GLU 93 Cb 0.13 -3.07 0.53 0.00 0.10 0.00 0.00 34.13 31.82 2nnb s GLU 93 CO 0.62 -0.45 1.97 -0.22 0.02 0.00 0.00 175.26 177.20 2nnb h LYS 94 N 4.54 0.93 0.00 1.61 3.64 -1.89 -1.19 116.57 124.21 2nnb h LYS 94 Ca -0.47 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 58.79 2nnb h LYS 94 Cb 1.22 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 2nnb h LYS 94 CO 0.75 0.64 -0.21 -0.91 -2.27 0.00 0.00 179.45 177.44 2nnb h ASN 95 N 0.95 0.00 0.32 4.20 -0.26 -1.91 -1.44 115.58 117.45 2nnb h ASN 95 Ca 0.25 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.98 2nnb h ASN 95 Cb -0.06 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.20 2nnb h ASN 95 CO -0.05 0.21 -0.15 -0.25 -1.06 0.00 0.00 177.43 176.13 2nnb h TRP 96 N 0.00 -0.40 -0.33 1.19 7.01 -1.48 -1.73 115.95 120.21 2nnb h TRP 96 Ca -0.00 -0.01 -0.12 0.00 2.11 0.00 0.00 58.89 60.87 2nnb h TRP 96 Cb 0.64 0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.82 2nnb h TRP 96 CO 0.00 -0.12 -0.28 -0.22 -2.79 0.00 0.00 178.44 175.03 2nnb h LYS 97 N -0.65 0.68 0.25 2.65 1.63 -1.40 0.20 116.57 119.93 2nnb h LYS 97 Ca -0.04 -0.29 -0.01 0.00 -0.85 0.00 0.00 60.65 59.45 2nnb h LYS 97 Cb 0.46 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 2nnb h LYS 97 CO 0.07 0.89 -0.12 -0.22 -3.45 0.00 0.00 179.45 176.62 2nnb h LYS 98 N 0.59 -0.32 -0.48 1.90 3.64 -1.27 -1.00 116.57 119.64 2nnb h LYS 98 Ca 0.07 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 2nnb h LYS 98 Cb 0.78 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 2nnb h LYS 98 CO 0.06 -0.09 0.03 0.00 -2.27 0.00 0.00 179.45 177.18 2nnb h ALA 99 N 0.22 1.16 0.09 5.00 0.00 -1.24 -1.30 119.26 123.19 2nnb h ALA 99 Ca -0.03 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.65 2nnb h ALA 99 Cb 0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2nnb h ALA 99 CO 0.06 0.55 -0.17 1.25 0.00 0.00 0.00 179.25 180.93 2nnb h HIS 100 N 0.73 -0.44 -0.65 0.00 -0.00 -0.86 0.52 115.15 114.45 2nnb h HIS 100 Ca 0.15 0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.46 2nnb h HIS 100 Cb 0.40 0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.96 2nnb h HIS 100 CO 0.02 -0.25 0.15 -0.91 -0.00 0.00 0.00 177.93 176.94 2nnb h ASN 101 N -0.33 0.98 -0.21 3.26 2.35 -0.93 -1.78 115.58 118.93 2nnb h ASN 101 Ca 0.03 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.51 2nnb h ASN 101 Cb 0.35 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 2nnb h ASN 101 CO -0.10 0.95 -0.12 0.40 -1.65 0.00 0.00 177.43 176.91 2nnb h ILE 102 N 0.99 1.31 0.00 2.81 2.04 -1.01 -3.34 117.51 120.31 2nnb h ILE 102 Ca 0.21 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 2nnb h ILE 102 Cb 0.35 1.65 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 2nnb h ILE 102 CO 0.00 0.37 -0.31 -0.07 0.00 0.00 0.00 178.15 178.14 2nnb h LEU 103 N 0.15 0.00 -0.37 1.44 -0.00 0.15 -3.37 115.31 113.31 2nnb h LEU 103 Ca 0.04 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 57.98 2nnb h LEU 103 Cb 0.62 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.23 2nnb h LEU 103 CO 0.03 0.08 0.07 -0.07 -0.00 0.00 0.00 178.44 178.56 2nnb h LEU 104 N 0.00 0.01 -1.72 1.67 3.38 -1.44 -1.97 115.31 115.23 2nnb h LEU 104 Ca -0.01 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2nnb h LEU 104 Cb 1.07 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 2nnb h LEU 104 CO 0.01 0.04 -0.11 -0.65 0.09 0.00 0.00 178.44 177.82 2nnb h PRO 105 N 0.20 0.03 0.00 1.13 0.11 -1.81 -1.06 132.00 130.61 2nnb h PRO 105 Ca 0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2nnb h PRO 105 Cb 0.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.31 2nnb h PRO 105 CO -0.23 0.15 0.00 0.43 -0.21 0.00 0.00 178.00 178.14 2nnb n SER 106 N -4.39 0.00 -0.50 -2.05 7.64 -0.77 -3.28 113.62 110.27 2nnb n SER 106 Ca -0.02 0.42 0.04 0.00 1.01 0.00 0.00 58.87 60.32 2nnb n SER 106 Cb 0.20 -0.47 0.11 0.00 -1.01 0.00 0.00 64.21 63.04 2nnb n SER 106 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2nnb n PHE 107 N -1.47 0.33 -1.50 1.43 3.72 -0.42 -4.84 117.46 114.71 2nnb n PHE 107 Ca 0.06 -0.45 -0.30 0.00 -0.05 0.00 0.00 57.45 56.72 2nnb n PHE 107 Cb 0.24 -0.03 0.11 0.00 -0.94 0.00 0.00 39.48 38.86 2nnb n PHE 107 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2nnb s SER 108 N -0.97 4.07 0.27 4.37 1.04 -1.07 -4.50 113.70 116.91 2nnb s SER 108 Ca 0.18 1.23 -0.01 0.00 0.48 0.00 0.00 55.95 57.83 2nnb s SER 108 Cb 0.09 -1.92 0.48 0.00 0.10 0.00 0.00 66.02 64.78 2nnb s SER 108 CO 0.13 -2.23 1.83 -0.61 0.98 0.00 0.00 173.24 173.33 2nnb h GLN 109 N -1.27 0.89 -0.85 4.02 5.75 -1.93 -1.45 115.11 120.27 2nnb h GLN 109 Ca -0.48 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 57.94 2nnb h GLN 109 Cb 1.29 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 29.60 2nnb h GLN 109 CO 0.59 0.59 0.43 1.96 -2.65 0.00 0.00 178.83 179.75 2nnb h GLN 110 N 0.92 1.21 0.00 1.69 1.08 -1.92 -1.99 115.11 116.09 2nnb h GLN 110 Ca 0.45 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.48 2nnb h GLN 110 Cb 0.43 -0.23 -0.00 0.00 -0.05 0.00 0.00 27.48 27.63 2nnb h GLN 110 CO -0.26 0.91 -0.03 0.00 -0.95 0.00 0.00 178.83 178.50 2nnb h ALA 111 N 1.23 1.32 0.00 3.87 0.00 -1.50 -2.25 119.26 121.92 2nnb h ALA 111 Ca 0.30 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2nnb h ALA 111 Cb 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2nnb h ALA 111 CO -0.04 0.04 -0.23 0.52 0.00 0.00 0.00 179.25 179.54 2nnb h MET 112 N 0.00 0.00 -0.98 0.00 2.86 -1.10 -1.70 114.93 114.00 2nnb h MET 112 Ca -0.00 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.80 2nnb h MET 112 Cb 0.11 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.68 2nnb h MET 112 CO 0.00 0.23 0.61 0.87 1.06 0.00 0.00 176.91 179.68 2nnb h LYS 113 N 0.00 0.79 0.00 1.72 1.57 -1.53 0.19 116.57 119.31 2nnb h LYS 113 Ca -0.00 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 2nnb h LYS 113 Cb 0.42 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2nnb h LYS 113 CO 0.03 0.52 -0.27 0.78 -0.57 0.00 0.00 179.45 179.94 2nnb h GLY 114 N 0.81 0.00 0.43 3.86 0.00 -1.49 -3.21 103.07 103.47 2nnb h GLY 114 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 2nnb h GLY 114 CO -0.29 0.00 -1.19 -1.72 0.00 0.00 0.00 176.54 173.33 2nnb n TYR 115 N -3.22 0.22 -0.22 5.60 4.01 -0.54 -4.48 117.16 118.53 2nnb n TYR 115 Ca 0.02 0.06 0.03 0.00 -0.16 0.00 0.00 57.90 57.85 2nnb n TYR 115 Cb 0.58 -0.41 0.14 0.00 -0.31 0.00 0.00 39.34 39.34 2nnb n TYR 115 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2nnb h HIS 116 N 0.00 0.19 -0.71 -0.72 2.76 -0.68 -1.50 115.15 114.49 2nnb h HIS 116 Ca 0.00 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.17 2nnb h HIS 116 Cb 0.76 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.71 2nnb h HIS 116 CO 0.00 -0.08 0.28 0.00 -1.30 0.00 0.00 177.93 176.83 2nnb h ALA 117 N 1.55 1.16 -0.01 5.26 0.00 -1.79 -0.67 119.26 124.76 2nnb h ALA 117 Ca 0.36 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 2nnb h ALA 117 Cb 0.58 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2nnb h ALA 117 CO -0.48 0.61 -0.73 0.52 0.00 0.00 0.00 179.25 179.17 2nnb h MET 118 N 1.02 0.05 -0.50 0.00 2.07 -1.69 -1.78 114.93 114.11 2nnb h MET 118 Ca 0.24 -0.04 -0.03 0.00 -2.07 0.00 0.00 59.70 57.80 2nnb h MET 118 Cb 0.20 0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 29.92 2nnb h MET 118 CO -0.02 0.75 0.20 0.52 1.07 0.00 0.00 176.91 179.44 2nnb h MET 119 N 0.03 0.74 -0.46 1.72 2.86 -0.70 -2.91 114.93 116.21 2nnb h MET 119 Ca -0.01 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 2nnb h MET 119 Cb 1.29 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.80 2nnb h MET 119 CO 0.10 0.66 0.20 0.28 1.06 0.00 0.00 176.91 179.21 2nnb h VAL 120 N 0.67 1.17 0.06 -2.22 2.07 -1.01 -0.61 116.25 116.37 2nnb h VAL 120 Ca 0.17 -0.50 0.02 0.00 0.82 0.00 0.00 66.70 67.21 2nnb h VAL 120 Cb 0.19 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 2nnb h VAL 120 CO -0.01 0.20 -0.19 -0.78 0.02 0.00 0.00 177.57 176.81 2nnb h ASP 121 N 0.65 -0.53 -0.44 0.57 1.82 -1.14 0.15 116.42 117.51 2nnb h ASP 121 Ca 0.16 0.07 -0.11 0.00 -0.39 0.00 0.00 57.03 56.76 2nnb h ASP 121 Cb 0.11 0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.31 2nnb h ASP 121 CO -0.02 -0.26 -0.13 0.40 -1.61 0.00 0.00 179.24 177.62 2nnb h ILE 122 N -0.33 1.27 -0.78 2.25 1.08 -1.36 -2.62 117.51 117.01 2nnb h ILE 122 Ca 0.04 -1.25 -0.02 0.00 -0.39 0.00 0.00 64.86 63.24 2nnb h ILE 122 Cb 0.37 1.03 -0.04 0.00 -3.07 0.00 0.00 36.82 35.11 2nnb h ILE 122 CO -0.13 0.43 0.42 0.00 -0.69 0.00 0.00 178.15 178.18 2nnb h ALA 123 N 1.03 1.27 -0.69 1.87 0.00 -0.65 -1.61 119.26 120.49 2nnb h ALA 123 Ca 0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2nnb h ALA 123 Cb 0.66 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2nnb h ALA 123 CO 0.05 0.59 0.32 0.28 0.00 0.00 0.00 179.25 180.48 2nnb h VAL 124 N 1.09 1.23 -0.94 0.00 2.07 -0.59 -1.64 116.25 117.47 2nnb h VAL 124 Ca 0.28 -0.68 0.03 0.00 0.82 0.00 0.00 66.70 67.15 2nnb h VAL 124 Cb 0.03 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.15 2nnb h VAL 124 CO -0.04 0.28 0.61 1.56 0.02 0.00 0.00 177.57 180.00 2nnb h GLN 125 N 0.96 1.17 -0.06 1.57 4.20 -0.95 0.61 115.11 122.62 2nnb h GLN 125 Ca 0.23 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 2nnb h GLN 125 Cb 0.14 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 2nnb h GLN 125 CO -0.03 0.78 0.02 1.25 -0.67 0.00 0.00 178.83 180.18 2nnb h LEU 126 N 1.21 0.09 -0.24 1.46 7.12 -0.81 -0.69 115.31 123.44 2nnb h LEU 126 Ca 0.36 -0.18 0.04 0.00 0.13 0.00 0.00 57.88 58.23 2nnb h LEU 126 Cb -0.04 -0.02 -0.04 0.00 -0.53 0.00 0.00 40.66 40.03 2nnb h LEU 126 CO -0.11 0.24 0.01 0.58 -0.13 0.00 0.00 178.44 179.03 2nnb h VAL 127 N -0.08 0.84 -0.99 1.05 2.07 -0.95 -2.10 116.25 116.10 2nnb h VAL 127 Ca 0.02 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.57 2nnb h VAL 127 Cb 0.18 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 30.63 2nnb h VAL 127 CO -0.00 0.02 0.63 1.56 0.02 0.00 0.00 177.57 179.80 2nnb h GLN 128 N 0.08 1.12 -0.55 1.57 4.20 -0.85 0.13 115.11 120.81 2nnb h GLN 128 Ca 0.11 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.78 2nnb h GLN 128 Cb 0.14 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 27.63 2nnb h GLN 128 CO -0.19 0.74 0.34 -0.22 -0.67 0.00 0.00 178.83 178.83 2nnb h LYS 129 N 1.16 0.65 -0.01 1.46 3.64 -0.59 -1.80 116.57 121.08 2nnb h LYS 129 Ca 0.42 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.55 2nnb h LYS 129 Cb 0.15 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2nnb h LYS 129 CO -0.17 0.43 -0.91 -1.49 -2.27 0.00 0.00 179.45 175.04 2nnb h TRP 130 N 0.67 0.57 -1.00 1.91 6.55 -0.87 -2.61 115.95 121.16 2nnb h TRP 130 Ca 0.22 -0.30 0.21 0.00 0.95 0.00 0.00 58.89 59.97 2nnb h TRP 130 Cb 0.02 -0.07 -0.11 0.00 -0.86 0.00 0.00 29.16 28.14 2nnb h TRP 130 CO -0.06 1.12 0.61 0.93 -1.05 0.00 0.00 178.44 179.99 2nnb h GLU 131 N 0.22 0.65 -0.01 0.49 4.39 -0.51 -2.92 114.58 116.90 2nnb h GLU 131 Ca -0.07 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.59 2nnb h GLU 131 Cb 1.54 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 2nnb h GLU 131 CO 0.16 0.43 -0.12 0.54 -1.16 0.00 0.00 179.01 178.86 2nnb n ARG 132 N -4.78 1.16 -2.07 2.33 1.74 -0.70 -4.88 116.66 109.46 2nnb n ARG 132 Ca 0.24 -0.62 -0.40 0.00 -0.77 0.00 0.00 57.85 56.31 2nnb n ARG 132 Cb 0.65 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.59 2nnb n ARG 132 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2nnb s LEU 133 N -2.26 4.25 0.55 0.55 1.02 -1.10 -5.01 118.68 116.67 2nnb s LEU 133 Ca 0.32 2.65 -0.16 0.00 0.02 0.00 0.00 54.13 56.96 2nnb s LEU 133 Cb 0.20 -3.87 -0.06 0.00 0.02 0.00 0.00 46.19 42.48 2nnb s LEU 133 CO 0.43 -0.80 1.01 0.20 0.02 0.00 0.00 176.35 177.22 2nnb s ASN 134 N -0.71 6.32 0.05 2.29 0.01 -1.26 -4.96 114.94 116.68 2nnb s ASN 134 Ca 0.56 1.64 -0.05 0.00 -0.71 0.00 0.00 52.86 54.29 2nnb s ASN 134 Cb -0.38 -2.51 0.03 0.00 0.41 0.00 0.00 41.25 38.80 2nnb s ASN 134 CO 0.49 -0.80 0.35 0.00 -1.51 0.00 0.00 177.10 175.64 2nnb n ALA 135 N -1.81 -0.07 1.03 0.60 0.00 -1.26 -1.47 120.51 117.53 2nnb n ALA 135 Ca 0.07 0.21 0.01 0.00 0.00 0.00 0.00 53.44 53.74 2nnb n ALA 135 Cb 0.54 -0.08 0.04 0.00 0.00 0.00 0.00 19.45 19.95 2nnb n ALA 135 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2nnb n ASP 136 N -4.32 1.25 -4.73 0.00 5.75 -1.26 -4.92 116.55 108.32 2nnb n ASP 136 Ca 0.02 -2.08 -0.23 0.00 -0.01 0.00 0.00 54.79 52.49 2nnb n ASP 136 Cb 0.08 -0.40 -0.06 0.00 -1.03 0.00 0.00 41.12 39.70 2nnb n ASP 136 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2nnb s GLU 137 N -1.37 2.42 0.34 0.11 2.02 -0.54 -5.11 118.70 116.57 2nnb s GLU 137 Ca 0.06 -1.46 0.04 0.00 0.02 0.00 0.00 54.97 53.62 2nnb s GLU 137 Cb 0.04 -2.22 -0.06 0.00 0.10 0.00 0.00 34.13 31.99 2nnb s GLU 137 CO 0.02 0.19 0.07 -3.38 0.02 0.00 0.00 175.26 172.19 2nnb s HIS 138 N -2.37 1.91 -0.12 1.61 -3.43 -1.26 -4.81 115.29 106.81 2nnb s HIS 138 Ca 0.36 -1.03 -0.03 0.00 -0.80 0.00 0.00 55.06 53.56 2nnb s HIS 138 Cb -0.04 -1.24 -0.03 0.00 -1.43 0.00 0.00 32.58 29.83 2nnb s HIS 138 CO 0.22 -0.06 -0.00 0.42 -2.00 0.00 0.00 174.74 173.32 2nnb s ILE 139 N -3.31 4.23 -0.45 -5.38 1.01 -0.05 -4.98 121.20 112.27 2nnb s ILE 139 Ca 0.34 -0.26 -0.19 0.00 0.00 0.00 0.00 60.65 60.54 2nnb s ILE 139 Cb 0.08 -2.82 0.03 0.00 0.01 0.00 0.00 42.46 39.75 2nnb s ILE 139 CO 0.15 0.54 0.56 -1.61 0.00 0.00 0.00 174.94 174.58 2nnb s GLU 140 N -0.25 3.17 -0.02 2.79 2.02 -1.26 -2.20 118.70 122.94 2nnb s GLU 140 Ca 0.06 -0.65 -0.21 0.00 0.02 0.00 0.00 54.97 54.18 2nnb s GLU 140 Cb -0.12 -3.99 -0.13 0.00 0.10 0.00 0.00 34.13 29.98 2nnb s GLU 140 CO 0.02 -1.00 0.92 0.28 0.02 0.00 0.00 175.26 175.50 2nnb h VAL 141 N 5.82 0.31 -0.23 2.63 2.07 -1.69 -1.52 116.25 123.63 2nnb h VAL 141 Ca -0.26 -0.62 -0.05 0.00 0.82 0.00 0.00 66.70 66.59 2nnb h VAL 141 Cb 1.10 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2nnb h VAL 141 CO 0.87 0.06 -0.06 1.55 0.02 0.00 0.00 177.57 180.01 2nnb h PRO 142 N -1.03 0.35 0.15 1.57 0.13 -1.87 0.48 132.00 131.78 2nnb h PRO 142 Ca -0.06 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2nnb h PRO 142 Cb 0.53 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 2nnb h PRO 142 CO 0.09 0.44 -0.12 0.93 -0.23 0.00 0.00 178.00 179.11 2nnb h GLU 143 N 0.34 -0.26 -0.24 0.86 3.07 -1.90 -0.54 114.58 115.91 2nnb h GLU 143 Ca 0.07 0.02 -0.14 0.00 -0.50 0.00 0.00 59.36 58.81 2nnb h GLU 143 Cb 0.33 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 2nnb h GLU 143 CO 0.02 -0.18 -0.43 -0.44 -1.40 0.00 0.00 179.01 176.58 2nnb h ASP 144 N -0.27 0.62 -0.69 1.42 3.32 -0.91 -1.42 116.42 118.49 2nnb h ASP 144 Ca -0.01 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 2nnb h ASP 144 Cb 0.25 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 2nnb h ASP 144 CO -0.01 0.97 0.39 0.24 -1.72 0.00 0.00 179.24 179.11 2nnb h MET 145 N 0.47 0.96 -0.26 3.56 2.86 -0.83 -1.05 114.93 120.65 2nnb h MET 145 Ca 0.03 -0.10 -0.19 0.00 -2.06 0.00 0.00 59.70 57.39 2nnb h MET 145 Cb 0.94 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.41 2nnb h MET 145 CO 0.08 0.70 -0.57 1.15 1.06 0.00 0.00 176.91 179.33 2nnb h THR 146 N 0.97 1.28 -0.42 2.22 2.02 -0.90 -0.34 112.91 117.75 2nnb h THR 146 Ca 0.25 -1.77 0.09 0.00 0.77 0.00 0.00 66.41 65.75 2nnb h THR 146 Cb 0.01 1.69 -0.08 0.00 -1.74 0.00 0.00 68.15 68.02 2nnb h THR 146 CO -0.04 0.57 -0.14 0.03 0.37 0.00 0.00 175.52 176.31 2nnb h ARG 147 N 0.61 -0.05 -0.06 6.66 3.08 -1.11 -0.78 114.38 122.74 2nnb h ARG 147 Ca 0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2nnb h ARG 147 Cb 1.17 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 2nnb h ARG 147 CO 0.12 -0.03 0.03 1.25 -1.07 0.00 0.00 179.97 180.28 2nnb h LEU 148 N -0.05 0.07 -0.31 3.04 7.12 -0.91 -1.85 115.31 122.42 2nnb h LEU 148 Ca 0.21 -0.04 -0.20 0.00 0.13 0.00 0.00 57.88 57.98 2nnb h LEU 148 Cb 0.36 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.48 2nnb h LEU 148 CO -0.46 0.09 -0.68 0.71 -0.13 0.00 0.00 178.44 177.96 2nnb h THR 149 N 0.04 1.31 -0.06 1.05 1.35 -0.83 0.23 112.91 116.00 2nnb h THR 149 Ca 0.02 -1.93 0.00 0.00 -0.55 0.00 0.00 66.41 63.95 2nnb h THR 149 Cb 0.03 1.90 -0.00 0.00 -1.73 0.00 0.00 68.15 68.35 2nnb h THR 149 CO -0.00 0.61 0.03 -0.07 -0.25 0.00 0.00 175.52 175.83 2nnb h LEU 150 N 0.49 0.05 -0.94 3.87 3.38 -1.18 0.95 115.31 121.92 2nnb h LEU 150 Ca -0.02 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2nnb h LEU 150 Cb 1.28 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.98 2nnb h LEU 150 CO 0.14 0.04 0.61 0.44 0.09 0.00 0.00 178.44 179.76 2nnb h ASP 151 N 0.07 1.09 -0.17 -0.43 5.19 -1.16 0.24 116.42 121.25 2nnb h ASP 151 Ca 0.02 -0.04 -0.06 0.00 -0.62 0.00 0.00 57.03 56.34 2nnb h ASP 151 Cb -0.00 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 39.23 2nnb h ASP 151 CO -0.01 0.80 -0.13 0.74 -3.12 0.00 0.00 179.24 177.52 2nnb h THR 152 N 1.28 1.33 -0.62 0.35 2.02 -0.70 -0.84 112.91 115.73 2nnb h THR 152 Ca 0.34 -1.26 -0.07 0.00 0.77 0.00 0.00 66.41 66.19 2nnb h THR 152 Cb -0.13 1.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 2nnb h THR 152 CO -0.07 0.37 0.09 0.40 0.37 0.00 0.00 175.52 176.68 2nnb h ILE 153 N 0.03 1.26 -0.50 3.11 2.04 -0.58 0.90 117.51 123.77 2nnb h ILE 153 Ca 0.03 -1.00 0.05 0.00 1.00 0.00 0.00 64.86 64.94 2nnb h ILE 153 Cb 0.65 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 2nnb h ILE 153 CO 0.03 0.37 0.24 1.23 0.00 0.00 0.00 178.15 180.02 2nnb h GLY 154 N 1.03 0.70 0.73 5.37 0.00 -0.37 0.34 103.07 110.87 2nnb h GLY 154 Ca 0.19 -0.16 -0.11 0.00 0.00 0.00 0.00 47.33 47.25 2nnb h GLY 154 CO 0.01 0.09 -0.38 -2.00 0.00 0.00 0.00 176.54 174.26 2nnb h LEU 155 N 0.46 0.46 -0.57 3.11 5.85 -0.89 -1.59 115.31 122.15 2nnb h LEU 155 Ca 0.23 -0.65 -0.15 0.00 0.84 0.00 0.00 57.88 58.14 2nnb h LEU 155 Cb 0.16 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2nnb h LEU 155 CO -0.18 1.04 -0.71 0.00 -0.34 0.00 0.00 178.44 178.25 2nnb h GLY 157 N 2.03 0.39 -2.21 0.00 0.00 -0.32 -1.81 103.07 101.14 2nnb h GLY 157 Ca -0.01 -0.99 -0.12 0.00 0.00 0.00 0.00 47.33 46.22 2nnb h GLY 157 CO 0.10 0.86 -0.69 1.97 0.00 0.00 0.00 176.54 178.78 2nnb n PHE 158 N -3.79 0.00 -3.16 5.60 -1.74 -0.62 -1.17 117.46 112.58 2nnb n PHE 158 Ca -0.23 -0.35 -0.21 0.00 -0.56 0.00 0.00 57.45 56.09 2nnb n PHE 158 Cb 0.98 0.03 0.00 0.00 1.52 0.00 0.00 39.48 42.02 2nnb n PHE 158 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 2nnb n ASN 159 N 0.25 -4.26 -4.53 5.98 5.15 -0.74 -4.95 115.26 112.16 2nnb n ASN 159 Ca -0.03 -0.29 -0.33 0.00 -0.60 0.00 0.00 54.58 53.34 2nnb n ASN 159 Cb 0.91 -3.51 -0.12 0.00 -0.53 0.00 0.00 39.78 36.53 2nnb n ASN 159 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 2nnb s TYR 160 N -2.94 2.81 -0.29 1.20 5.04 -1.07 -4.94 117.35 117.15 2nnb s TYR 160 Ca 0.32 -0.08 -0.08 0.00 -2.44 0.00 0.00 57.07 54.80 2nnb s TYR 160 Cb -0.16 -1.64 -0.00 0.00 0.35 0.00 0.00 41.96 40.51 2nnb s TYR 160 CO 0.40 0.28 0.10 1.03 -1.34 0.00 0.00 175.55 176.01 2nnb s ARG 161 N -0.94 3.23 0.35 4.97 0.52 -1.26 -2.81 118.95 123.01 2nnb s ARG 161 Ca 0.13 -0.77 0.26 0.00 -0.52 0.00 0.00 55.73 54.83 2nnb s ARG 161 Cb -0.11 -3.41 0.83 0.00 0.52 0.00 0.00 34.95 32.77 2nnb s ARG 161 CO 0.02 -0.40 1.76 0.74 0.02 0.00 0.00 175.30 177.44 2nnb h PHE 162 N 8.27 0.00 -6.28 -0.53 0.04 -1.93 -3.47 116.94 113.04 2nnb h PHE 162 Ca -0.33 0.00 -0.47 0.00 2.80 0.00 0.00 57.97 59.98 2nnb h PHE 162 Cb 1.14 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.26 2nnb h PHE 162 CO 0.63 0.00 -0.78 0.09 -0.60 0.00 0.00 178.31 177.65 2nnb n ASN 163 N -2.65 -4.00 0.13 2.17 3.02 -1.26 -4.50 115.26 108.17 2nnb n ASN 163 Ca 0.03 -0.80 0.04 0.00 -0.03 0.00 0.00 54.58 53.83 2nnb n ASN 163 Cb 0.39 -3.87 0.46 0.00 -0.61 0.00 0.00 39.78 36.15 2nnb n ASN 163 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2nnb h SER 164 N -2.04 0.21 0.00 6.41 0.02 -1.92 0.18 113.55 116.42 2nnb h SER 164 Ca -0.59 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 2nnb h SER 164 Cb 1.37 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.86 2nnb h SER 164 CO 0.65 0.28 0.00 0.49 -1.14 0.00 0.00 176.83 177.11 2nnb n PHE 165 N -4.38 0.00 0.05 3.45 3.72 -1.26 -2.92 117.46 116.12 2nnb n PHE 165 Ca -0.01 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 2nnb n PHE 165 Cb 0.19 0.00 0.24 0.00 -0.94 0.00 0.00 39.48 38.97 2nnb n PHE 165 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2nnb n TYR 166 N -0.81 0.64 -4.00 1.38 4.02 0.05 -5.01 117.16 113.43 2nnb n TYR 166 Ca 0.12 -0.34 -0.11 0.00 -0.01 0.00 0.00 57.90 57.55 2nnb n TYR 166 Cb 0.06 -0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.25 2nnb n TYR 166 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2nnb s ARG 167 N -1.27 0.33 -0.11 -0.72 0.52 -1.15 -5.01 118.95 111.54 2nnb s ARG 167 Ca 0.40 -0.50 -0.23 0.00 -0.52 0.00 0.00 55.73 54.88 2nnb s ARG 167 Cb 0.23 -0.08 -0.27 0.00 0.52 0.00 0.00 34.95 35.34 2nnb s ARG 167 CO 0.31 0.01 0.69 -0.44 0.02 0.00 0.00 175.30 175.88 2nnb h ASP 168 N 5.02 0.23 -3.56 0.23 3.32 -1.95 -3.45 116.42 116.25 2nnb h ASP 168 Ca -0.31 -0.89 -0.61 0.00 0.02 0.00 0.00 57.03 55.24 2nnb h ASP 168 Cb 1.21 -0.07 -0.13 0.00 0.22 0.00 0.00 39.33 40.55 2nnb h ASP 168 CO 0.44 1.32 -0.32 -1.10 -1.72 0.00 0.00 179.24 177.85 2nnb s GLN 169 N -2.36 4.11 0.79 3.56 -1.52 -1.26 -5.06 119.66 117.93 2nnb s GLN 169 Ca -0.19 -0.00 -0.15 0.00 -1.95 0.00 0.00 55.36 53.07 2nnb s GLN 169 Cb 0.01 -3.56 0.01 0.00 -0.22 0.00 0.00 33.01 29.26 2nnb s GLN 169 CO 0.74 -0.04 0.73 -2.30 -0.25 0.00 0.00 175.29 174.17 2nnb n PRO 170 N 4.53 0.17 -1.50 2.91 -0.02 -1.26 -4.92 135.00 134.91 2nnb n PRO 170 Ca -0.11 0.11 -0.50 0.00 -2.02 0.00 0.00 63.50 60.98 2nnb n PRO 170 Cb 0.51 -2.04 -0.04 0.00 -0.02 0.00 0.00 33.50 31.91 2nnb n PRO 170 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2nnb n HIS 171 N -2.90 0.49 -0.32 6.00 -0.00 -1.26 -4.63 115.22 112.60 2nnb n HIS 171 Ca 0.11 0.87 0.24 0.00 -0.00 0.00 0.00 57.72 58.94 2nnb n HIS 171 Cb 0.51 -2.12 0.54 0.00 -0.00 0.00 0.00 29.99 28.92 2nnb n HIS 171 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2nnb h PRO 172 N 2.25 0.33 -0.71 1.57 0.13 -1.96 0.33 132.00 133.94 2nnb h PRO 172 Ca -0.39 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 64.77 2nnb h PRO 172 Cb 1.40 -0.08 -0.05 0.00 0.13 0.00 0.00 31.00 32.40 2nnb h PRO 172 CO 0.63 0.22 0.41 0.35 -0.23 0.00 0.00 178.00 179.38 2nnb h PHE 173 N 0.34 0.76 -0.12 1.56 3.04 -1.92 -1.12 116.94 119.49 2nnb h PHE 173 Ca 0.59 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.51 2nnb h PHE 173 Cb 1.59 -0.24 -0.00 0.00 2.56 0.00 0.00 35.95 39.86 2nnb h PHE 173 CO -0.00 0.39 -0.13 0.82 -2.02 0.00 0.00 178.31 177.36 2nnb h ILE 174 N 0.77 1.36 -0.66 1.41 2.04 -0.71 0.42 117.51 122.14 2nnb h ILE 174 Ca 0.31 -1.31 0.14 0.00 1.00 0.00 0.00 64.86 64.99 2nnb h ILE 174 Cb 0.15 1.96 -0.10 0.00 -0.74 0.00 0.00 36.82 38.09 2nnb h ILE 174 CO -0.16 0.38 0.11 0.74 0.00 0.00 0.00 178.15 179.22 2nnb h THR 175 N -0.11 0.54 -0.07 -0.27 2.02 -1.21 0.95 112.91 114.76 2nnb h THR 175 Ca 0.02 -0.08 -0.06 0.00 0.77 0.00 0.00 66.41 67.06 2nnb h THR 175 Cb 0.67 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 2nnb h THR 175 CO 0.03 0.04 -0.21 0.28 0.37 0.00 0.00 175.52 176.04 2nnb h SER 176 N 0.22 0.30 -0.20 4.18 0.02 -0.90 -1.64 113.55 115.54 2nnb h SER 176 Ca 0.36 -0.61 0.05 0.00 -0.84 0.00 0.00 61.79 60.75 2nnb h SER 176 Cb 0.59 -0.09 -0.07 0.00 0.14 0.00 0.00 62.40 62.97 2nnb h SER 176 CO -0.49 0.86 -0.33 -0.03 -1.14 0.00 0.00 176.83 175.70 2nnb h MET 177 N -0.25 -0.35 0.00 3.45 -1.53 0.18 0.18 114.93 116.61 2nnb h MET 177 Ca -0.01 0.02 -0.07 0.00 -3.44 0.00 0.00 59.70 56.20 2nnb h MET 177 Cb 0.83 0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 31.95 2nnb h MET 177 CO 0.04 -0.24 -0.35 -0.39 0.14 0.00 0.00 176.91 176.12 2nnb h VAL 178 N -0.37 1.25 -0.09 -5.77 -1.51 -0.84 0.20 116.25 109.12 2nnb h VAL 178 Ca 0.11 -1.20 -0.22 0.00 -1.23 0.00 0.00 66.70 64.16 2nnb h VAL 178 Cb 0.55 1.65 0.01 0.00 -2.13 0.00 0.00 31.29 31.36 2nnb h VAL 178 CO -0.40 0.34 -0.82 -0.09 -1.23 0.00 0.00 177.57 175.37 2nnb h ARG 179 N 0.00 0.61 0.11 5.19 2.43 -0.99 -0.91 114.38 120.82 2nnb h ARG 179 Ca -0.00 -0.54 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 2nnb h ARG 179 Cb 0.62 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 2nnb h ARG 179 CO 0.05 1.15 -0.09 0.00 -1.51 0.00 0.00 179.97 179.57 2nnb h ALA 180 N 0.68 -0.19 -0.13 2.80 0.00 -0.13 -1.81 119.26 120.48 2nnb h ALA 180 Ca -0.06 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.84 2nnb h ALA 180 Cb 1.44 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 2nnb h ALA 180 CO 0.16 -0.62 0.02 1.25 0.00 0.00 0.00 179.25 180.06 2nnb h LEU 181 N -0.21 -0.00 -0.60 0.00 6.46 -0.61 -1.03 115.31 119.32 2nnb h LEU 181 Ca -0.00 0.02 0.10 0.00 -0.12 0.00 0.00 57.88 57.88 2nnb h LEU 181 Cb 0.20 0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 40.08 2nnb h LEU 181 CO -0.02 0.02 0.17 -0.78 -0.62 0.00 0.00 178.44 177.22 2nnb h ASP 182 N 0.08 0.11 0.07 1.25 3.58 -1.14 -1.98 116.42 118.39 2nnb h ASP 182 Ca 0.06 0.09 0.02 0.00 0.42 0.00 0.00 57.03 57.62 2nnb h ASP 182 Cb 0.06 0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 2nnb h ASP 182 CO -0.08 0.07 -0.17 -0.08 -2.88 0.00 0.00 179.24 176.09 2nnb h GLU 183 N 0.33 -0.31 -0.86 0.28 4.57 -1.17 0.16 114.58 117.59 2nnb h GLU 183 Ca 0.31 0.02 0.22 0.00 -1.18 0.00 0.00 59.36 58.72 2nnb h GLU 183 Cb 0.42 0.07 -0.13 0.00 -0.16 0.00 0.00 28.75 28.95 2nnb h GLU 183 CO -0.35 -0.20 0.27 0.00 -1.18 0.00 0.00 179.01 177.54 2nnb h ALA 184 N 0.54 1.25 0.17 2.92 0.00 -0.96 0.83 119.26 124.02 2nnb h ALA 184 Ca 0.03 0.20 -0.31 0.00 0.00 0.00 0.00 54.91 54.83 2nnb h ALA 184 Cb 0.35 0.26 0.03 0.00 0.00 0.00 0.00 17.79 18.42 2nnb h ALA 184 CO -0.11 -0.41 -1.32 0.52 0.00 0.00 0.00 179.25 177.93 2nnb h MET 185 N 0.27 0.54 0.00 0.00 2.86 -1.01 -3.11 114.93 114.48 2nnb h MET 185 Ca 0.53 -0.81 -0.02 0.00 -2.06 0.00 0.00 59.70 57.34 2nnb h MET 185 Cb 1.02 0.28 -0.00 0.00 0.06 0.00 0.00 31.60 32.96 2nnb h MET 185 CO -0.59 1.37 -0.08 -0.91 1.06 0.00 0.00 176.91 177.76 2nnb h ASN 186 N 0.20 0.00 0.09 1.22 2.35 0.16 -1.41 115.58 118.19 2nnb h ASN 186 Ca -0.20 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.54 2nnb h ASN 186 Cb 2.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.37 2nnb h ASN 186 CO 0.25 0.08 -0.03 0.11 -1.65 0.00 0.00 177.43 176.19 2nnb h LYS 187 N 0.00 0.00 0.00 0.81 1.57 -0.79 -3.50 116.57 114.66 2nnb h LYS 187 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2nnb h LYS 187 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2nnb h LYS 187 CO 0.01 0.03 0.00 1.28 -0.57 0.00 0.00 179.45 180.20 2nnb n LEU 188 N -3.77 0.00 0.00 2.94 4.32 -0.54 -5.12 117.00 114.83 2nnb n LEU 188 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.96 2nnb n LEU 188 Cb 0.12 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.92 2nnb n LEU 188 CO 0.28 0.00 0.00 0.59 -1.22 0.00 0.00 177.39 177.04 2nnb n ASN 201 N -0.57 0.00 -0.22 -1.43 3.02 -1.26 -5.16 115.26 109.64 2nnb n ASN 201 Ca 0.01 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.50 2nnb n ASN 201 Cb 0.00 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.22 2nnb n ASN 201 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2nnb h LYS 202 N 0.00 0.83 -0.16 3.52 1.57 -2.03 -1.31 116.57 118.99 2nnb h LYS 202 Ca 0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2nnb h LYS 202 Cb 0.00 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 2nnb h LYS 202 CO 0.00 0.55 0.07 0.00 -0.57 0.00 0.00 179.45 179.50 2nnb h ARG 203 N 0.86 0.23 -0.58 3.15 2.47 -2.05 -1.62 114.38 116.84 2nnb h ARG 203 Ca 0.23 -0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 58.87 2nnb h ARG 203 Cb -0.10 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.16 2nnb h ARG 203 CO -0.05 0.30 0.20 0.37 0.56 0.00 0.00 179.97 181.35 2nnb h GLN 204 N 0.12 0.85 -0.31 0.04 5.75 -1.96 -0.31 115.11 119.29 2nnb h GLN 204 Ca 0.05 -0.15 -0.03 0.00 -0.15 0.00 0.00 58.65 58.37 2nnb h GLN 204 Cb 0.15 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 2nnb h GLN 204 CO -0.01 0.72 0.06 0.35 -2.65 0.00 0.00 178.83 177.31 2nnb h PHE 205 N 0.83 0.54 -0.69 3.99 3.57 -1.12 0.43 116.94 124.49 2nnb h PHE 205 Ca 0.19 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 2nnb h PHE 205 Cb 0.21 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 2nnb h PHE 205 CO 0.01 0.58 0.31 1.96 -2.23 0.00 0.00 178.31 178.94 2nnb h GLN 206 N 0.34 1.00 -0.44 1.11 1.08 -0.87 -0.20 115.11 117.13 2nnb h GLN 206 Ca 0.10 -0.15 -0.07 0.00 -1.45 0.00 0.00 58.65 57.08 2nnb h GLN 206 Cb 0.32 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 2nnb h GLN 206 CO 0.00 0.78 -0.01 1.49 -0.95 0.00 0.00 178.83 180.15 2nnb h GLU 207 N 0.99 0.78 -0.61 1.46 4.81 -0.50 -1.94 114.58 119.57 2nnb h GLU 207 Ca 0.24 -0.25 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2nnb h GLU 207 Cb 0.13 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 2nnb h GLU 207 CO -0.03 0.85 0.28 -0.44 -0.73 0.00 0.00 179.01 178.94 2nnb h ASP 208 N 0.62 0.81 -0.56 1.04 3.32 0.21 0.22 116.42 122.08 2nnb h ASP 208 Ca 0.12 -0.14 0.07 0.00 0.02 0.00 0.00 57.03 57.11 2nnb h ASP 208 Cb 0.50 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.78 2nnb h ASP 208 CO 0.02 0.72 0.23 0.40 -1.72 0.00 0.00 179.24 178.89 2nnb h ILE 209 N 0.84 0.84 -0.34 0.35 2.04 -0.99 -1.38 117.51 118.87 2nnb h ILE 209 Ca 0.21 -0.15 -0.15 0.00 1.00 0.00 0.00 64.86 65.78 2nnb h ILE 209 Cb 0.14 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 2nnb h ILE 209 CO -0.02 0.08 -0.37 0.11 0.00 0.00 0.00 178.15 177.94 2nnb h LYS 210 N 0.43 0.79 -0.21 2.37 1.57 -0.55 -0.30 116.57 120.67 2nnb h LYS 210 Ca 0.27 -0.40 0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2nnb h LYS 210 Cb 0.28 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 2nnb h LYS 210 CO -0.25 1.03 0.03 0.28 -0.57 0.00 0.00 179.45 179.97 2nnb h VAL 211 N 0.65 0.90 0.02 0.50 2.07 -0.74 0.19 116.25 119.85 2nnb h VAL 211 Ca 0.06 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 2nnb h VAL 211 Cb 0.93 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 2nnb h VAL 211 CO 0.08 0.02 -0.01 0.24 0.02 0.00 0.00 177.57 177.92 2nnb h MET 212 N 0.11 -0.03 -0.39 1.57 2.07 -0.99 -2.19 114.93 115.09 2nnb h MET 212 Ca 0.09 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.71 2nnb h MET 212 Cb 0.10 0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 29.82 2nnb h MET 212 CO -0.13 0.03 0.16 -0.91 1.07 0.00 0.00 176.91 177.13 2nnb h ASN 213 N -0.08 0.53 -0.12 1.22 2.35 -0.86 -2.61 115.58 116.00 2nnb h ASN 213 Ca -0.00 -0.16 0.04 0.00 -0.55 0.00 0.00 56.30 55.63 2nnb h ASN 213 Cb 0.07 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.25 2nnb h ASN 213 CO 0.01 0.54 -0.21 0.44 -1.65 0.00 0.00 177.43 176.56 2nnb h ASP 214 N 0.48 -0.64 -0.33 5.81 3.32 -0.60 0.26 116.42 124.72 2nnb h ASP 214 Ca 0.13 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 2nnb h ASP 214 Cb 0.17 0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2nnb h ASP 214 CO -0.01 -0.26 0.13 0.25 -1.72 0.00 0.00 179.24 177.63 2nnb h LEU 215 N -0.27 0.46 -0.03 1.55 5.85 -1.25 -1.21 115.31 120.43 2nnb h LEU 215 Ca 0.10 -0.17 -0.22 0.00 0.84 0.00 0.00 57.88 58.43 2nnb h LEU 215 Cb 0.41 -0.12 0.02 0.00 0.37 0.00 0.00 40.66 41.34 2nnb h LEU 215 CO -0.28 0.51 -0.85 0.58 -0.34 0.00 0.00 178.44 178.05 2nnb h VAL 216 N 0.39 1.32 -0.88 1.05 2.07 -1.32 -1.38 116.25 117.50 2nnb h VAL 216 Ca 0.11 -2.14 0.08 0.00 0.82 0.00 0.00 66.70 65.57 2nnb h VAL 216 Cb 0.19 2.38 -0.06 0.00 -1.52 0.00 0.00 31.29 32.28 2nnb h VAL 216 CO -0.01 0.65 0.57 0.44 0.02 0.00 0.00 177.57 179.24 2nnb h ASP 217 N 0.26 0.83 -0.26 0.57 3.32 -0.42 -0.69 116.42 120.03 2nnb h ASP 217 Ca -0.10 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 2nnb h ASP 217 Cb 1.52 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.90 2nnb h ASP 217 CO 0.17 0.52 0.05 0.50 -1.72 0.00 0.00 179.24 178.75 2nnb h LYS 218 N 0.93 0.43 -0.65 3.56 3.64 -0.81 -1.63 116.57 122.05 2nnb h LYS 218 Ca 0.39 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.57 2nnb h LYS 218 Cb 0.30 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2nnb h LYS 218 CO -0.15 0.55 0.06 0.82 -2.27 0.00 0.00 179.45 178.45 2nnb h ILE 219 N 0.24 1.27 0.22 2.00 1.08 -0.84 0.18 117.51 121.66 2nnb h ILE 219 Ca 0.08 -1.09 0.00 0.00 -0.39 0.00 0.00 64.86 63.46 2nnb h ILE 219 Cb 0.32 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 34.76 2nnb h ILE 219 CO 0.00 0.41 -0.20 0.40 -0.69 0.00 0.00 178.15 178.07 2nnb h ILE 220 N 1.01 0.57 -0.01 -0.67 2.04 -1.03 -1.28 117.51 118.15 2nnb h ILE 220 Ca 0.19 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.08 2nnb h ILE 220 Cb 0.50 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 2nnb h ILE 220 CO 0.02 0.00 -0.45 0.00 0.00 0.00 0.00 178.15 177.72 2nnb h ALA 221 N 0.29 -0.73 -0.85 1.87 0.00 -1.05 -0.40 119.26 118.39 2nnb h ALA 221 Ca -0.01 -0.05 0.19 0.00 0.00 0.00 0.00 54.91 55.04 2nnb h ALA 221 Cb 0.40 0.80 -0.11 0.00 0.00 0.00 0.00 17.79 18.88 2nnb h ALA 221 CO -0.03 -0.99 0.37 -0.44 0.00 0.00 0.00 179.25 178.15 2nnb h ASP 222 N -0.60 0.34 -0.41 0.00 3.32 -0.63 0.29 116.42 118.73 2nnb h ASP 222 Ca 0.04 0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 2nnb h ASP 222 Cb 0.67 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 2nnb h ASP 222 CO -0.33 0.06 0.01 -0.09 -1.72 0.00 0.00 179.24 177.17 2nnb h ARG 223 N 0.45 0.71 0.00 3.56 9.65 -0.63 -0.75 114.38 127.37 2nnb h ARG 223 Ca 0.50 -0.22 -0.02 0.00 -1.10 0.00 0.00 59.98 59.14 2nnb h ARG 223 Cb 0.87 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 29.38 2nnb h ARG 223 CO -0.47 0.79 -0.08 1.57 2.80 0.00 0.00 179.97 184.58 2nnb h LYS 224 N 0.55 0.00 0.00 0.20 2.10 0.42 -2.40 116.57 117.44 2nnb h LYS 224 Ca 0.12 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.75 2nnb h LYS 224 Cb 0.46 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.79 2nnb h LYS 224 CO 0.02 0.08 -0.06 0.00 -2.00 0.00 0.00 179.45 177.49 2nnb h ALA 225 N 1.92 0.99 0.00 0.07 0.00 -0.04 -3.22 119.26 118.97 2nnb h ALA 225 Ca -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2nnb h ALA 225 Cb 0.97 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2nnb h ALA 225 CO 0.01 0.07 -2.03 -1.13 0.00 0.00 0.00 179.25 176.18 2nnb n SER 226 N -3.15 0.01 0.00 0.00 3.41 -0.33 -4.98 113.62 108.59 2nnb n SER 226 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2nnb n SER 226 Cb 0.42 1.88 0.00 0.00 -0.26 0.00 0.00 64.21 66.25 2nnb n SER 226 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2nnb n GLY 227 N 1.31 0.21 3.70 5.00 0.00 -0.91 -4.97 105.19 109.53 2nnb n GLY 227 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 2nnb n GLY 227 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2nnb n GLU 228 N -0.90 2.42 -4.30 1.61 4.71 -1.25 -5.01 120.64 117.93 2nnb n GLU 228 Ca 0.00 0.87 -0.34 0.00 -0.01 0.00 0.00 57.16 57.68 2nnb n GLU 228 Cb 0.22 -2.62 -0.12 0.00 -1.01 0.00 0.00 31.44 27.91 2nnb n GLU 228 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 2nnb s GLN 229 N 0.12 3.70 0.37 3.49 -1.52 -1.26 -4.97 119.66 119.58 2nnb s GLN 229 Ca 0.70 -0.50 0.03 0.00 -1.95 0.00 0.00 55.36 53.65 2nnb s GLN 229 Cb -0.58 -2.98 -0.04 0.00 -0.22 0.00 0.00 33.01 29.19 2nnb s GLN 229 CO 0.44 0.20 0.09 -1.12 -0.25 0.00 0.00 175.29 174.65 2nnb s SER 230 N 0.48 2.57 -0.16 5.90 0.01 -1.26 -5.04 113.70 116.19 2nnb s SER 230 Ca -0.02 -1.52 0.02 0.00 1.31 0.00 0.00 55.95 55.74 2nnb s SER 230 Cb -0.14 0.22 0.26 0.00 0.21 0.00 0.00 66.02 66.57 2nnb s SER 230 CO 0.02 -0.77 1.30 0.47 0.41 0.00 0.00 173.24 174.67 2nnb n ASP 231 N -0.97 3.22 -4.77 2.44 8.00 -1.26 -4.77 116.55 118.45 2nnb n ASP 231 Ca -0.05 -2.58 -0.26 0.00 0.71 0.00 0.00 54.79 52.62 2nnb n ASP 231 Cb 0.66 -0.62 -0.06 0.00 -0.02 0.00 0.00 41.12 41.07 2nnb n ASP 231 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2nnb s ASP 232 N 0.07 4.43 0.30 -2.24 -4.77 -1.26 -4.71 116.67 108.49 2nnb s ASP 232 Ca 0.22 -1.16 0.05 0.00 -3.30 0.00 0.00 52.55 48.36 2nnb s ASP 232 Cb 0.18 -0.25 0.48 0.00 -1.09 0.00 0.00 42.92 42.24 2nnb s ASP 232 CO 0.04 -0.66 1.75 -0.07 0.70 0.00 0.00 175.17 176.93 2nnb h LEU 233 N 1.31 0.39 -0.89 2.11 3.38 -1.09 -2.80 115.31 117.71 2nnb h LEU 233 Ca -0.42 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.46 2nnb h LEU 233 Cb 1.27 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.86 2nnb h LEU 233 CO 0.68 0.65 0.57 0.25 0.09 0.00 0.00 178.44 180.69 2nnb h LEU 234 N 0.34 0.94 -0.10 1.67 5.85 -1.43 -1.00 115.31 121.59 2nnb h LEU 234 Ca 0.05 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.79 2nnb h LEU 234 Cb 0.65 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 2nnb h LEU 234 CO 0.05 0.64 -0.02 0.74 -0.34 0.00 0.00 178.44 179.50 2nnb h THR 235 N 1.10 0.90 -0.80 1.05 2.02 -1.80 0.23 112.91 115.61 2nnb h THR 235 Ca 0.36 -0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.54 2nnb h THR 235 Cb 0.03 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 2nnb h THR 235 CO -0.13 0.00 0.53 0.45 0.37 0.00 0.00 175.52 176.74 2nnb h HIS 236 N 0.00 1.01 -0.08 3.16 3.86 -1.39 -0.33 115.15 121.38 2nnb h HIS 236 Ca 0.05 0.02 -0.23 0.00 -1.16 0.00 0.00 60.37 59.05 2nnb h HIS 236 Cb 0.07 -0.34 0.01 0.00 1.06 0.00 0.00 27.41 28.21 2nnb h HIS 236 CO -0.15 0.64 -0.86 0.52 0.86 0.00 0.00 177.93 178.94 2nnb h MET 237 N 1.09 0.66 -0.55 2.45 2.07 -0.76 0.20 114.93 120.08 2nnb h MET 237 Ca 0.29 -0.60 -0.01 0.00 -2.07 0.00 0.00 59.70 57.31 2nnb h MET 237 Cb -0.12 0.14 -0.03 0.00 -1.87 0.00 0.00 31.60 29.72 2nnb h MET 237 CO -0.06 1.21 0.29 -0.07 1.07 0.00 0.00 176.91 179.34 2nnb h LEU 238 N 0.42 0.68 0.00 1.22 3.38 -0.47 -3.19 115.31 117.35 2nnb h LEU 238 Ca -0.07 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2nnb h LEU 238 Cb 1.48 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2nnb h LEU 238 CO 0.17 0.56 -1.22 0.59 0.09 0.00 0.00 178.44 178.62 2nnb n ASN 239 N -4.39 0.62 -4.83 -0.43 3.02 -0.18 -4.98 115.26 104.10 2nnb n ASN 239 Ca 0.05 -0.47 -0.34 0.00 -0.03 0.00 0.00 54.58 53.80 2nnb n ASN 239 Cb 0.11 1.13 -0.06 0.00 -0.61 0.00 0.00 39.78 40.35 2nnb n ASN 239 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2nnb s GLY 240 N -3.58 2.43 -0.02 7.41 0.00 0.68 -5.07 107.32 109.18 2nnb s GLY 240 Ca 0.03 0.24 0.02 0.00 0.00 0.00 0.00 44.72 45.01 2nnb s GLY 240 CO 0.85 0.51 -0.07 0.54 0.00 0.00 0.00 173.10 174.93 2nnb s LYS 241 N -2.85 0.75 0.03 2.90 1.02 -1.26 -4.31 119.74 116.02 2nnb s LYS 241 Ca 0.55 -0.24 -0.30 0.00 0.02 0.00 0.00 55.97 56.01 2nnb s LYS 241 Cb -0.11 -0.73 -0.09 0.00 -0.52 0.00 0.00 37.83 36.38 2nnb s LYS 241 CO 0.17 0.09 1.99 0.34 -0.92 0.00 0.00 175.35 177.01 2nnb s ASP 242 N 0.19 6.40 0.58 2.83 2.15 0.14 -4.86 116.67 124.10 2nnb s ASP 242 Ca -0.02 2.66 0.27 0.00 0.43 0.00 0.00 52.55 55.88 2nnb s ASP 242 Cb -0.07 -2.53 1.59 0.00 -0.30 0.00 0.00 42.92 41.61 2nnb s ASP 242 CO 0.00 -1.09 2.09 -0.65 -0.17 0.00 0.00 175.17 175.35 2nnb h PRO 243 N 10.80 0.00 0.10 4.34 0.11 -1.89 0.27 132.00 145.73 2nnb h PRO 243 Ca -0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2nnb h PRO 243 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2nnb h PRO 243 CO 0.94 0.00 -0.05 1.49 -0.21 0.00 0.00 178.00 180.17 2nnb h GLU 244 N 0.00 -0.13 0.00 1.05 4.81 -1.96 -3.36 114.58 114.99 2nnb h GLU 244 Ca 0.10 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2nnb h GLU 244 Cb 0.52 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2nnb h GLU 244 CO -0.00 -0.09 -0.11 1.79 -0.73 0.00 0.00 179.01 179.87 2nnb h THR 245 N -0.53 0.00 0.00 0.32 1.35 -1.97 -3.47 112.91 108.61 2nnb h THR 245 Ca -0.01 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 2nnb h THR 245 Cb 0.11 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 2nnb h THR 245 CO 0.02 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.90 2nnb n GLY 246 N 1.26 0.34 3.91 5.82 0.00 0.94 -5.01 105.19 112.43 2nnb n GLY 246 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2nnb n GLY 246 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nnb s GLU 247 N -0.83 3.59 0.57 1.61 2.02 -1.25 -4.64 118.70 119.77 2nnb s GLU 247 Ca 0.00 -0.15 -0.05 0.00 0.02 0.00 0.00 54.97 54.79 2nnb s GLU 247 Cb 0.00 -2.80 0.01 0.00 0.10 0.00 0.00 34.13 31.44 2nnb s GLU 247 CO 0.00 0.40 0.87 -1.25 0.02 0.00 0.00 175.26 175.29 2nnb s PRO 248 N -3.05 2.87 0.48 0.39 0.04 -1.26 0.27 135.00 134.74 2nnb s PRO 248 Ca 0.41 -0.14 -0.22 0.00 0.04 0.00 0.00 61.00 61.09 2nnb s PRO 248 Cb -0.11 -2.32 -0.07 0.00 0.04 0.00 0.00 34.50 32.04 2nnb s PRO 248 CO 0.27 -0.67 1.17 -0.51 0.04 0.00 0.00 177.00 177.29 2nnb s LEU 249 N -4.93 3.94 0.54 -3.56 1.43 -1.26 -4.95 118.68 109.90 2nnb s LEU 249 Ca 0.54 2.30 -0.04 0.00 -1.03 0.00 0.00 54.13 55.90 2nnb s LEU 249 Cb -0.10 -4.32 0.00 0.00 0.03 0.00 0.00 46.19 41.80 2nnb s LEU 249 CO 0.44 -1.02 0.83 1.51 0.23 0.00 0.00 176.35 178.33 2nnb s ASP 250 N -1.43 5.69 0.30 2.29 1.47 -1.26 -4.88 116.67 118.85 2nnb s ASP 250 Ca 0.66 0.60 0.04 0.00 1.18 0.00 0.00 52.55 55.03 2nnb s ASP 250 Cb -0.28 -1.68 0.66 0.00 -0.34 0.00 0.00 42.92 41.28 2nnb s ASP 250 CO 0.34 -0.94 1.83 0.44 0.68 0.00 0.00 175.17 177.52 2nnb h ASP 251 N 0.01 0.84 -0.59 2.11 3.32 -1.99 -0.46 116.42 119.67 2nnb h ASP 251 Ca -0.46 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.60 2nnb h ASP 251 Cb 1.25 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 2nnb h ASP 251 CO 0.60 0.40 0.16 -0.08 -1.72 0.00 0.00 179.24 178.60 2nnb h GLU 252 N 0.87 0.93 -0.36 3.56 4.81 -2.00 -2.02 114.58 120.38 2nnb h GLU 252 Ca 0.51 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 59.44 2nnb h GLU 252 Cb 0.65 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2nnb h GLU 252 CO -0.28 0.85 -0.11 -0.97 -0.73 0.00 0.00 179.01 177.77 2nnb h ASN 253 N 0.84 0.72 -0.63 1.04 -0.73 -1.72 -1.87 115.58 113.23 2nnb h ASN 253 Ca 0.19 -0.37 0.13 0.00 1.87 0.00 0.00 56.30 58.11 2nnb h ASN 253 Cb 0.32 -0.20 -0.10 0.00 0.27 0.00 0.00 38.32 38.61 2nnb h ASN 253 CO -0.00 0.93 0.06 0.40 -0.37 0.00 0.00 177.43 178.44 2nnb h ILE 254 N 0.50 0.53 -0.10 2.57 2.04 -1.09 0.12 117.51 122.07 2nnb h ILE 254 Ca 0.09 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2nnb h ILE 254 Cb 0.62 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2nnb h ILE 254 CO 0.04 0.03 0.07 -0.09 0.00 0.00 0.00 178.15 178.20 2nnb h ARG 255 N 0.17 0.14 -0.91 2.37 1.12 -1.01 -1.14 114.38 115.11 2nnb h ARG 255 Ca 0.34 -0.01 0.12 0.00 -1.11 0.00 0.00 59.98 59.31 2nnb h ARG 255 Cb 0.54 -0.03 -0.08 0.00 -0.01 0.00 0.00 29.97 30.39 2nnb h ARG 255 CO -0.50 0.10 0.54 1.88 -3.11 0.00 0.00 179.97 178.88 2nnb h TYR 256 N 0.14 0.98 -0.59 2.20 0.05 -0.63 -0.25 116.97 118.87 2nnb h TYR 256 Ca 0.04 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.80 2nnb h TYR 256 Cb -0.01 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.40 2nnb h TYR 256 CO -0.07 0.37 0.19 1.96 -1.05 0.00 0.00 178.16 179.56 2nnb h GLN 257 N 0.86 0.91 0.17 4.88 1.08 -0.13 0.39 115.11 123.26 2nnb h GLN 257 Ca 0.46 -0.19 -0.00 0.00 -1.45 0.00 0.00 58.65 57.46 2nnb h GLN 257 Cb 0.48 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 2nnb h GLN 257 CO -0.28 0.81 -0.12 0.82 -0.95 0.00 0.00 178.83 179.11 2nnb h ILE 258 N 0.83 0.73 -0.94 2.54 2.04 -0.62 0.66 117.51 122.76 2nnb h ILE 258 Ca 0.19 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.12 2nnb h ILE 258 Cb 0.28 0.73 -0.07 0.00 -0.74 0.00 0.00 36.82 37.02 2nnb h ILE 258 CO -0.01 0.00 0.59 0.40 0.00 0.00 0.00 178.15 179.13 2nnb h ILE 259 N -0.29 1.03 -0.24 -0.67 2.04 -0.93 -2.53 117.51 115.92 2nnb h ILE 259 Ca -0.01 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.50 2nnb h ILE 259 Cb 0.26 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 2nnb h ILE 259 CO -0.00 0.19 0.14 0.74 0.00 0.00 0.00 178.15 179.22 2nnb h THR 260 N 1.05 1.02 -0.93 -0.27 2.02 -0.45 0.07 112.91 115.42 2nnb h THR 260 Ca 0.42 -0.10 0.05 0.00 0.77 0.00 0.00 66.41 67.55 2nnb h THR 260 Cb 0.23 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 67.29 2nnb h THR 260 CO -0.19 0.05 0.60 -0.26 0.37 0.00 0.00 175.52 176.09 2nnb h PHE 261 N 0.29 1.12 -0.10 3.16 0.04 -0.46 0.28 116.94 121.27 2nnb h PHE 261 Ca 0.10 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.86 2nnb h PHE 261 Cb 0.00 -0.37 -0.00 0.00 2.20 0.00 0.00 35.95 37.78 2nnb h PHE 261 CO -0.08 0.62 -0.07 -0.07 -0.60 0.00 0.00 178.31 178.11 2nnb h LEU 262 N 1.13 0.22 -0.57 1.54 3.38 -1.22 0.01 115.31 119.82 2nnb h LEU 262 Ca 0.38 -0.45 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 2nnb h LEU 262 Cb 0.07 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2nnb h LEU 262 CO -0.14 0.62 -0.67 0.16 0.09 0.00 0.00 178.44 178.50 2nnb h ILE 263 N -0.17 1.42 0.00 1.22 -0.00 -0.43 -1.38 117.51 118.16 2nnb h ILE 263 Ca 0.02 -2.15 -0.20 0.00 -0.00 0.00 0.00 64.86 62.53 2nnb h ILE 263 Cb 0.55 2.12 -0.03 0.00 -0.00 0.00 0.00 36.82 39.46 2nnb h ILE 263 CO 0.02 0.63 -1.06 0.00 -0.00 0.00 0.00 178.15 177.73 2nnb h ALA 264 N 1.15 0.53 0.00 0.16 0.00 -0.43 -3.36 119.26 117.30 2nnb h ALA 264 Ca -0.02 -0.91 -0.23 0.00 0.00 0.00 0.00 54.91 53.76 2nnb h ALA 264 Cb 1.20 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 2nnb h ALA 264 CO 0.10 1.14 -1.71 0.41 0.00 0.00 0.00 179.25 179.20 2nnb n GLY 265 N 1.36 -1.09 0.09 0.00 0.00 -0.01 -4.42 105.19 101.12 2nnb n GLY 265 Ca -0.04 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 2nnb n GLY 265 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2nnb h HIS 266 N 0.00 -0.11 0.00 1.61 2.07 -1.40 -2.92 115.15 114.40 2nnb h HIS 266 Ca -0.26 -0.00 -0.24 0.00 -2.85 0.00 0.00 60.37 57.02 2nnb h HIS 266 Cb 1.79 0.04 -0.04 0.00 2.57 0.00 0.00 27.41 31.76 2nnb h HIS 266 CO 0.00 0.26 -1.70 0.39 -3.07 0.00 0.00 177.93 173.81 2nnb n GLU 267 N -4.97 0.64 -0.02 5.12 1.02 -1.26 -1.59 120.64 119.57 2nnb n GLU 267 Ca -0.08 0.19 -0.10 0.00 -0.02 0.00 0.00 57.16 57.15 2nnb n GLU 267 Cb 0.22 -1.74 -0.04 0.00 -0.02 0.00 0.00 31.44 29.86 2nnb n GLU 267 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2nnb h THR 268 N 0.00 0.93 -0.11 2.62 1.35 -1.77 0.14 112.91 116.07 2nnb h THR 268 Ca -0.26 -0.03 -0.22 0.00 -0.55 0.00 0.00 66.41 65.35 2nnb h THR 268 Cb 1.81 0.83 0.01 0.00 -1.73 0.00 0.00 68.15 69.07 2nnb h THR 268 CO 0.05 0.02 -0.80 0.74 -0.25 0.00 0.00 175.52 175.28 2nnb h THR 269 N 0.09 1.31 -0.20 6.82 2.02 -1.59 -1.80 112.91 119.56 2nnb h THR 269 Ca 0.07 -2.07 -0.16 0.00 0.77 0.00 0.00 66.41 65.03 2nnb h THR 269 Cb 0.06 2.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 2nnb h THR 269 CO -0.09 0.64 -0.52 0.77 0.37 0.00 0.00 175.52 176.69 2nnb h SER 270 N 0.45 0.62 -0.89 4.18 4.64 -1.27 -2.48 113.55 118.80 2nnb h SER 270 Ca -0.06 -0.32 0.11 0.00 -0.47 0.00 0.00 61.79 61.05 2nnb h SER 270 Cb 1.42 -0.18 -0.08 0.00 -0.31 0.00 0.00 62.40 63.26 2nnb h SER 270 CO 0.16 1.03 0.53 1.23 -0.87 0.00 0.00 176.83 178.90 2nnb h GLY 271 N 1.05 1.42 0.73 -0.77 0.00 -0.64 -0.33 103.07 104.53 2nnb h GLY 271 Ca 0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 2nnb h GLY 271 CO 0.10 0.13 -0.07 -2.00 0.00 0.00 0.00 176.54 174.70 2nnb h LEU 272 N 0.85 -0.16 -0.75 3.11 6.46 -1.00 0.18 115.31 124.01 2nnb h LEU 272 Ca 0.44 -0.21 0.14 0.00 -0.12 0.00 0.00 57.88 58.13 2nnb h LEU 272 Cb 0.43 0.04 -0.10 0.00 -0.73 0.00 0.00 40.66 40.31 2nnb h LEU 272 CO -0.26 0.13 0.28 -0.07 -0.62 0.00 0.00 178.44 177.90 2nnb h LEU 273 N -0.46 0.23 -0.22 2.25 3.38 -1.31 0.16 115.31 119.35 2nnb h LEU 273 Ca -0.02 0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 2nnb h LEU 273 Cb 0.37 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2nnb h LEU 273 CO 0.03 0.08 -0.12 0.28 0.09 0.00 0.00 178.44 178.80 2nnb h SER 274 N 0.41 0.48 -0.73 -0.43 0.02 -0.63 -2.10 113.55 110.57 2nnb h SER 274 Ca 0.41 -0.42 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2nnb h SER 274 Cb 0.64 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 2nnb h SER 274 CO -0.42 0.80 0.30 -0.26 -1.14 0.00 0.00 176.83 176.11 2nnb h PHE 275 N 0.16 1.11 -0.25 3.45 0.04 -0.34 -0.22 116.94 120.90 2nnb h PHE 275 Ca 0.05 -0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 2nnb h PHE 275 Cb 0.62 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 2nnb h PHE 275 CO 0.07 0.84 0.14 0.00 -0.60 0.00 0.00 178.31 178.76 2nnb h ALA 276 N 1.25 0.32 -0.63 2.45 0.00 -0.59 -0.83 119.26 121.23 2nnb h ALA 276 Ca 0.25 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2nnb h ALA 276 Cb 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2nnb h ALA 276 CO -0.02 -0.16 0.09 1.25 0.00 0.00 0.00 179.25 180.41 2nnb h LEU 277 N 0.29 1.00 -0.27 0.00 5.85 -1.23 -0.73 115.31 120.22 2nnb h LEU 277 Ca 0.09 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.61 2nnb h LEU 277 Cb 0.06 -0.27 -0.08 0.00 0.37 0.00 0.00 40.66 40.74 2nnb h LEU 277 CO -0.01 1.02 -0.31 0.22 -0.34 0.00 0.00 178.44 179.01 2nnb h TYR 278 N 0.95 -0.84 -0.62 1.25 3.20 -0.90 -0.18 116.97 119.83 2nnb h TYR 278 Ca 0.19 0.05 -0.10 0.00 3.14 0.00 0.00 58.73 62.01 2nnb h TYR 278 Cb 0.44 0.41 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 2nnb h TYR 278 CO 0.03 -0.38 0.01 0.74 -1.64 0.00 0.00 178.16 176.92 2nnb h PHE 279 N -0.30 1.18 -0.38 -3.82 0.04 -0.61 -1.66 116.94 111.38 2nnb h PHE 279 Ca 0.14 -0.20 0.05 0.00 2.80 0.00 0.00 57.97 60.75 2nnb h PHE 279 Cb 0.53 -0.31 -0.04 0.00 2.20 0.00 0.00 35.95 38.32 2nnb h PHE 279 CO -0.46 1.03 0.13 -0.07 -0.60 0.00 0.00 178.31 178.34 2nnb h LEU 280 N 0.99 0.13 -1.10 1.54 3.38 -0.97 -1.83 115.31 117.45 2nnb h LEU 280 Ca 0.18 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2nnb h LEU 280 Cb 0.56 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2nnb h LEU 280 CO 0.03 0.11 0.00 -0.37 0.09 0.00 0.00 178.44 178.30 2nnb h VAL 281 N 0.28 0.00 -0.01 1.22 -1.51 -0.70 -1.20 116.25 114.34 2nnb h VAL 281 Ca 0.18 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 65.12 2nnb h VAL 281 Cb 0.16 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 2nnb h VAL 281 CO -0.18 0.00 -0.30 0.29 -1.23 0.00 0.00 177.57 176.14 2nnb n LYS 282 N -2.92 0.71 -3.36 5.19 4.76 -0.65 -4.39 118.16 117.49 2nnb n LYS 282 Ca 0.01 -0.42 -0.26 0.00 -2.87 0.00 0.00 58.31 54.78 2nnb n LYS 282 Cb 0.33 -1.49 -0.09 0.00 -1.84 0.00 0.00 35.03 31.94 2nnb n LYS 282 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2nnb n ASN 283 N -0.78 0.40 -0.27 4.39 3.02 -0.46 -5.02 115.26 116.54 2nnb n ASN 283 Ca 0.11 -2.65 0.20 0.00 -0.03 0.00 0.00 54.58 52.21 2nnb n ASN 283 Cb 0.35 -0.61 0.51 0.00 -0.61 0.00 0.00 39.78 39.42 2nnb n ASN 283 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2nnb h PRO 284 N 4.87 0.39 -0.13 3.52 0.11 -1.76 0.14 132.00 139.14 2nnb h PRO 284 Ca 0.18 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.20 2nnb h PRO 284 Cb 0.87 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 2nnb h PRO 284 CO 0.47 0.26 -0.21 0.45 -0.21 0.00 0.00 178.00 178.76 2nnb h HIS 285 N 0.40 0.24 0.08 0.65 3.86 -1.95 0.49 115.15 118.92 2nnb h HIS 285 Ca 0.50 -0.04 -0.19 0.00 -1.16 0.00 0.00 60.37 59.49 2nnb h HIS 285 Cb 1.27 -0.06 0.02 0.00 1.06 0.00 0.00 27.41 29.70 2nnb h HIS 285 CO -0.00 0.42 -0.80 0.28 0.86 0.00 0.00 177.93 178.69 2nnb h VAL 286 N 0.20 1.44 -0.69 2.45 2.07 -1.34 -2.63 116.25 117.76 2nnb h VAL 286 Ca 0.04 -2.34 0.06 0.00 0.82 0.00 0.00 66.70 65.28 2nnb h VAL 286 Cb 0.49 2.88 -0.06 0.00 -1.52 0.00 0.00 31.29 33.08 2nnb h VAL 286 CO 0.03 0.68 0.39 0.25 0.02 0.00 0.00 177.57 178.94 2nnb h LEU 287 N -0.16 0.57 -0.23 2.57 7.12 -1.04 -0.88 115.31 123.26 2nnb h LEU 287 Ca -0.12 0.03 0.00 0.00 0.13 0.00 0.00 57.88 57.92 2nnb h LEU 287 Cb 1.55 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 41.59 2nnb h LEU 287 CO 0.15 0.36 0.15 -0.61 -0.13 0.00 0.00 178.44 178.36 2nnb h GLN 288 N 0.70 0.30 -0.82 1.25 4.15 -0.91 0.91 115.11 120.70 2nnb h GLN 288 Ca 0.31 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.71 2nnb h GLN 288 Cb 0.21 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.79 2nnb h GLN 288 CO -0.19 0.20 0.50 -0.22 -1.93 0.00 0.00 178.83 177.19 2nnb h LYS 289 N 0.31 1.10 -0.16 1.69 3.64 -1.06 0.23 116.57 122.32 2nnb h LYS 289 Ca 0.08 -0.09 -0.22 0.00 -1.27 0.00 0.00 60.65 59.15 2nnb h LYS 289 Cb -0.03 -0.24 0.01 0.00 -0.41 0.00 0.00 32.23 31.56 2nnb h LYS 289 CO -0.02 0.77 -0.76 0.00 -2.27 0.00 0.00 179.45 177.17 2nnb h ALA 290 N 1.43 0.35 -0.15 5.00 0.00 -0.82 -2.38 119.26 122.69 2nnb h ALA 290 Ca 0.30 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 2nnb h ALA 290 Cb -0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2nnb h ALA 290 CO -0.06 0.69 -0.20 0.00 0.00 0.00 0.00 179.25 179.68 2nnb h ALA 291 N 0.60 1.38 -0.49 0.00 0.00 -0.31 -0.85 119.26 119.58 2nnb h ALA 291 Ca -0.05 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 2nnb h ALA 291 Cb 1.38 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2nnb h ALA 291 CO 0.16 0.43 -0.15 0.93 0.00 0.00 0.00 179.25 180.62 2nnb h GLU 292 N 0.24 0.97 -0.45 0.00 5.08 -0.46 -1.96 114.58 118.00 2nnb h GLU 292 Ca 0.04 -0.38 -0.06 0.00 -1.00 0.00 0.00 59.36 57.95 2nnb h GLU 292 Cb 0.50 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2nnb h GLU 292 CO 0.03 1.06 0.03 1.49 -1.00 0.00 0.00 179.01 180.62 2nnb h GLU 293 N 0.83 0.78 -0.64 2.33 4.81 -0.92 -1.99 114.58 119.78 2nnb h GLU 293 Ca 0.12 -0.23 0.05 0.00 -0.13 0.00 0.00 59.36 59.17 2nnb h GLU 293 Cb 0.71 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.96 2nnb h GLU 293 CO 0.05 0.83 0.35 0.00 -0.73 0.00 0.00 179.01 179.51 2nnb h ALA 294 N 0.93 0.84 -0.68 2.92 0.00 -0.99 -0.62 119.26 121.66 2nnb h ALA 294 Ca 0.13 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2nnb h ALA 294 Cb 0.45 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2nnb h ALA 294 CO 0.02 0.03 0.29 0.00 0.00 0.00 0.00 179.25 179.59 2nnb h ALA 295 N 1.33 0.88 -0.29 0.00 0.00 -1.29 0.46 119.26 120.34 2nnb h ALA 295 Ca 0.28 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 2nnb h ALA 295 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2nnb h ALA 295 CO -0.17 0.48 -0.43 -0.09 0.00 0.00 0.00 179.25 179.04 2nnb h ARG 296 N 0.95 0.74 0.11 0.00 2.43 -0.79 -3.35 114.38 114.47 2nnb h ARG 296 Ca 0.23 -0.40 -0.29 0.00 -0.81 0.00 0.00 59.98 58.71 2nnb h ARG 296 Cb 0.18 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2nnb h ARG 296 CO -0.02 1.02 -1.51 0.28 -1.51 0.00 0.00 179.97 178.23 2nnb h VAL 297 N 0.60 0.95 -1.57 0.20 2.07 -1.05 -3.41 116.25 114.04 2nnb h VAL 297 Ca 0.04 -2.37 -0.75 0.00 0.82 0.00 0.00 66.70 64.44 2nnb h VAL 297 Cb 0.98 2.64 -0.15 0.00 -1.52 0.00 0.00 31.29 33.23 2nnb h VAL 297 CO 0.09 0.71 1.86 0.18 0.02 0.00 0.00 177.57 180.43 2nnb n LEU 298 N -3.88 6.13 0.03 2.57 4.77 0.14 -4.68 117.00 122.08 2nnb n LEU 298 Ca -0.27 -4.54 0.12 0.00 -0.03 0.00 0.00 56.01 51.30 2nnb n LEU 298 Cb 0.91 -1.54 0.27 0.00 -2.33 0.00 0.00 43.42 40.73 2nnb n LEU 298 CO 0.40 1.11 0.50 1.33 -1.33 0.00 0.00 177.39 179.39 2nnb n VAL 299 N 3.92 0.16 -3.16 4.08 0.24 -1.26 -4.87 118.33 117.44 2nnb n VAL 299 Ca 0.40 -0.11 -0.24 0.00 -2.04 0.00 0.00 64.34 62.34 2nnb n VAL 299 Cb 0.39 -0.02 -0.00 0.00 -1.47 0.00 0.00 33.84 32.73 2nnb n VAL 299 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2nnb s ASP 300 N -3.52 6.13 0.24 -1.34 1.01 -1.26 -5.00 116.67 112.92 2nnb s ASP 300 Ca 0.10 0.44 -0.04 0.00 0.71 0.00 0.00 52.55 53.75 2nnb s ASP 300 Cb 0.16 -1.88 0.41 0.00 1.01 0.00 0.00 42.92 42.62 2nnb s ASP 300 CO 0.68 -0.47 1.79 -0.65 0.21 0.00 0.00 175.17 176.73 2nnb h PRO 301 N 0.57 0.66 -5.96 8.23 0.11 -1.90 -3.41 132.00 130.29 2nnb h PRO 301 Ca -0.48 -0.04 -0.55 0.00 0.11 0.00 0.00 66.00 65.04 2nnb h PRO 301 Cb 1.23 -0.15 -0.24 0.00 0.11 0.00 0.00 31.00 31.95 2nnb h PRO 301 CO 0.60 0.43 -0.83 0.54 -0.21 0.00 0.00 178.00 178.54 2nnb s VAL 302 N -6.03 1.57 0.33 3.15 0.11 -1.26 -4.59 120.40 113.68 2nnb s VAL 302 Ca -0.12 -1.27 -0.28 0.00 -2.93 0.00 0.00 61.98 57.38 2nnb s VAL 302 Cb 0.19 -1.40 -0.10 0.00 -1.53 0.00 0.00 36.38 33.55 2nnb s VAL 302 CO 0.77 0.09 1.25 -2.84 -3.33 0.00 0.00 175.10 171.04 2nnb s PRO 303 N -1.39 4.37 0.65 1.54 0.02 -1.26 -4.99 135.00 133.93 2nnb s PRO 303 Ca 0.06 2.10 -0.07 0.00 0.02 0.00 0.00 61.00 63.11 2nnb s PRO 303 Cb -0.09 -3.05 0.03 0.00 0.02 0.00 0.00 34.50 31.41 2nnb s PRO 303 CO 0.02 -0.13 0.96 -1.54 -0.33 0.00 0.00 177.00 175.99 2nnb s SER 304 N -0.63 5.28 0.24 2.53 1.04 -1.26 -4.99 113.70 115.91 2nnb s SER 304 Ca 0.49 0.66 -0.06 0.00 0.48 0.00 0.00 55.95 57.52 2nnb s SER 304 Cb -0.37 -1.51 0.29 0.00 0.10 0.00 0.00 66.02 64.53 2nnb s SER 304 CO 0.49 -1.29 1.87 0.22 0.98 0.00 0.00 173.24 175.51 2nnb h TYR 305 N -0.39 1.03 -0.56 5.02 3.20 -1.96 -2.51 116.97 120.80 2nnb h TYR 305 Ca -0.45 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.36 2nnb h TYR 305 Cb 1.28 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 39.19 2nnb h TYR 305 CO 0.42 0.57 0.02 0.87 -1.64 0.00 0.00 178.16 178.40 2nnb h LYS 306 N 1.05 0.95 -0.75 1.82 1.57 -2.00 -2.54 116.57 116.67 2nnb h LYS 306 Ca 0.36 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 2nnb h LYS 306 Cb 0.06 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2nnb h LYS 306 CO -0.14 0.93 0.26 1.96 -0.57 0.00 0.00 179.45 181.90 2nnb h GLN 307 N 0.88 1.15 -0.68 3.15 4.20 -1.85 -2.64 115.11 119.32 2nnb h GLN 307 Ca 0.17 -0.23 0.06 0.00 0.06 0.00 0.00 58.65 58.70 2nnb h GLN 307 Cb 0.49 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 28.04 2nnb h GLN 307 CO 0.02 0.96 0.38 0.28 -0.67 0.00 0.00 178.83 179.80 2nnb h VAL 308 N 1.11 0.99 -0.37 -0.54 2.07 -1.09 -1.52 116.25 116.90 2nnb h VAL 308 Ca 0.25 -0.24 0.09 0.00 0.82 0.00 0.00 66.70 67.61 2nnb h VAL 308 Cb 0.27 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 2nnb h VAL 308 CO -0.01 0.13 0.26 0.11 0.02 0.00 0.00 177.57 178.07 2nnb h LYS 309 N 0.71 0.11 -0.01 1.57 6.56 -1.11 -1.81 116.57 122.59 2nnb h LYS 309 Ca 0.30 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.88 2nnb h LYS 309 Cb 0.17 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.80 2nnb h LYS 309 CO -0.17 0.07 -0.02 1.04 -2.06 0.00 0.00 179.45 178.31 2nnb n GLN 310 N -4.45 1.46 -1.48 3.15 1.13 -0.60 -4.48 117.38 112.10 2nnb n GLN 310 Ca 0.05 -0.74 -0.40 0.00 -1.94 0.00 0.00 57.00 53.97 2nnb n GLN 310 Cb 0.37 -1.48 -0.02 0.00 0.11 0.00 0.00 30.24 29.21 2nnb n GLN 310 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2nnb n LEU 311 N -0.12 7.40 -0.06 1.08 4.77 -0.68 -4.71 117.00 124.69 2nnb n LEU 311 Ca 0.19 -4.11 -0.12 0.00 -0.03 0.00 0.00 56.01 51.95 2nnb n LEU 311 Cb 0.31 -1.56 -0.06 0.00 -2.33 0.00 0.00 43.42 39.78 2nnb n LEU 311 CO 0.18 1.40 0.74 0.50 -1.33 0.00 0.00 177.39 178.87 2nnb h LYS 312 N 5.71 0.31 -0.54 3.23 3.64 -1.85 -0.30 116.57 126.78 2nnb h LYS 312 Ca 0.68 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 59.84 2nnb h LYS 312 Cb 0.47 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 2nnb h LYS 312 CO 1.83 0.54 -0.13 -0.92 -2.27 0.00 0.00 179.45 178.50 2nnb h TYR 313 N 0.04 1.16 -0.72 1.91 3.20 -1.97 -1.34 116.97 119.25 2nnb h TYR 313 Ca 0.05 -0.25 0.08 0.00 3.14 0.00 0.00 58.73 61.75 2nnb h TYR 313 Cb 0.41 -0.28 -0.06 0.00 1.54 0.00 0.00 36.73 38.33 2nnb h TYR 313 CO 0.04 1.08 0.39 0.28 -1.64 0.00 0.00 178.16 178.30 2nnb h VAL 314 N 0.91 0.91 -0.86 1.81 2.07 -1.84 0.27 116.25 119.52 2nnb h VAL 314 Ca 0.14 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.44 2nnb h VAL 314 Cb 0.70 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 2nnb h VAL 314 CO 0.05 0.12 0.57 1.23 0.02 0.00 0.00 177.57 179.57 2nnb h GLY 315 N 0.68 1.22 0.99 2.17 0.00 -0.56 -1.52 103.07 106.05 2nnb h GLY 315 Ca 0.34 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 47.10 2nnb h GLY 315 CO -0.23 0.43 -0.26 -0.33 0.00 0.00 0.00 176.54 176.15 2nnb h MET 316 N 1.15 0.74 -0.31 4.80 2.07 -0.10 -0.39 114.93 122.88 2nnb h MET 316 Ca 0.32 -0.37 0.07 0.00 -2.07 0.00 0.00 59.70 57.65 2nnb h MET 316 Cb -0.10 0.00 -0.07 0.00 -1.87 0.00 0.00 31.60 29.57 2nnb h MET 316 CO -0.08 0.99 -0.14 0.28 1.07 0.00 0.00 176.91 179.03 2nnb h VAL 317 N 0.50 0.56 -0.51 -2.22 2.07 -0.16 0.12 116.25 116.61 2nnb h VAL 317 Ca 0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 2nnb h VAL 317 Cb 0.83 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2nnb h VAL 317 CO 0.07 0.00 0.26 -0.07 0.02 0.00 0.00 177.57 177.85 2nnb h LEU 318 N -0.09 0.65 -1.18 2.57 3.38 -1.10 0.53 115.31 120.09 2nnb h LEU 318 Ca 0.16 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2nnb h LEU 318 Cb 0.33 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2nnb h LEU 318 CO -0.37 0.58 0.25 0.78 0.09 0.00 0.00 178.44 179.76 2nnb h ASN 319 N 0.68 0.74 0.40 -0.43 -0.26 -0.67 -0.52 115.58 115.52 2nnb h ASN 319 Ca 0.18 -0.09 -0.15 0.00 -0.56 0.00 0.00 56.30 55.68 2nnb h ASN 319 Cb 0.08 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.14 2nnb h ASN 319 CO -0.03 0.66 -0.64 -0.08 -1.06 0.00 0.00 177.43 176.28 2nnb h GLU 320 N 0.82 0.22 -0.57 0.81 4.57 -0.01 0.18 114.58 120.60 2nnb h GLU 320 Ca 0.20 -0.16 -0.07 0.00 -1.18 0.00 0.00 59.36 58.15 2nnb h GLU 320 Cb 0.13 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 2nnb h GLU 320 CO -0.02 0.78 0.09 0.00 -1.18 0.00 0.00 179.01 178.68 2nnb h ALA 321 N 1.18 0.75 -0.50 2.92 0.00 -0.32 -2.39 119.26 120.89 2nnb h ALA 321 Ca -0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2nnb h ALA 321 Cb 1.15 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2nnb h ALA 321 CO 0.10 0.50 0.25 -0.07 0.00 0.00 0.00 179.25 180.03 2nnb h LEU 322 N 0.83 0.62 0.33 0.00 3.38 -0.91 0.81 115.31 120.37 2nnb h LEU 322 Ca 0.17 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2nnb h LEU 322 Cb 0.41 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2nnb h LEU 322 CO 0.01 0.52 -0.16 -0.09 0.09 0.00 0.00 178.44 178.81 2nnb h ARG 323 N 0.70 -0.43 -0.20 1.13 2.43 -0.25 -2.08 114.38 115.69 2nnb h ARG 323 Ca 0.18 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.29 2nnb h ARG 323 Cb 0.05 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2nnb h ARG 323 CO -0.03 -0.16 -0.20 -0.07 -1.51 0.00 0.00 179.97 178.00 2nnb h LEU 324 N -0.65 0.52 -6.01 3.80 3.38 -1.31 -3.39 115.31 111.64 2nnb h LEU 324 Ca -0.05 -0.48 -0.56 0.00 0.09 0.00 0.00 57.88 56.88 2nnb h LEU 324 Cb 0.46 -0.15 -0.40 0.00 0.09 0.00 0.00 40.66 40.67 2nnb h LEU 324 CO 0.07 0.89 -0.96 0.79 0.09 0.00 0.00 178.44 179.32 2nnb n TRP 325 N -4.45 0.96 -1.67 1.13 7.02 0.27 -4.82 117.44 115.88 2nnb n TRP 325 Ca -0.05 -3.77 -0.46 0.00 -1.02 0.00 0.00 57.50 52.20 2nnb n TRP 325 Cb 0.40 -0.42 -0.04 0.00 -2.42 0.00 0.00 31.31 28.83 2nnb n TRP 325 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 2nnb n PRO 326 N 1.06 2.17 0.00 -0.99 -0.04 -0.78 -4.63 135.00 131.78 2nnb n PRO 326 Ca 0.24 0.79 0.13 0.00 -0.04 0.00 0.00 63.50 64.62 2nnb n PRO 326 Cb 0.51 -2.58 0.48 0.00 -0.04 0.00 0.00 33.50 31.87 2nnb n PRO 326 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2nnb n THR 327 N 3.86 0.00 -3.75 0.52 -2.24 -1.26 -3.20 114.28 108.21 2nnb n THR 327 Ca 0.18 -0.01 -0.33 0.00 -2.27 0.00 0.00 64.05 61.62 2nnb n THR 327 Cb 0.29 -0.15 -0.09 0.00 -2.10 0.00 0.00 70.33 68.28 2nnb n THR 327 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nnb s ALA 328 N -2.91 3.97 -0.51 6.98 0.00 -1.26 -1.17 121.76 126.86 2nnb s ALA 328 Ca 0.15 -3.74 0.25 0.00 0.00 0.00 0.00 51.96 48.63 2nnb s ALA 328 Cb 0.19 -2.55 0.93 0.00 0.00 0.00 0.00 23.12 21.69 2nnb s ALA 328 CO 0.58 -2.12 1.76 -1.00 0.00 0.00 0.00 175.76 174.98 2nnb h PRO 329 N 5.96 0.00 -4.39 0.00 0.13 -1.80 -3.44 132.00 128.47 2nnb h PRO 329 Ca 0.12 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.92 2nnb h PRO 329 Cb 0.81 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.67 2nnb h PRO 329 CO 0.78 0.00 -0.75 0.00 -0.23 0.00 0.00 178.00 177.80 2nnb s ALA 330 N -3.27 0.48 0.18 -0.56 0.00 -1.26 -1.30 121.76 116.03 2nnb s ALA 330 Ca 0.06 -0.32 0.07 0.00 0.00 0.00 0.00 51.96 51.77 2nnb s ALA 330 Cb 0.10 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 2nnb s ALA 330 CO 0.49 0.10 -0.14 -0.59 0.00 0.00 0.00 175.76 175.62 2nnb s PHE 331 N -0.31 1.58 -0.03 0.00 -0.71 -1.11 -4.97 117.98 112.43 2nnb s PHE 331 Ca 0.00 -0.60 0.04 0.00 -1.04 0.00 0.00 56.93 55.33 2nnb s PHE 331 Cb -0.03 -0.76 -0.03 0.00 -1.21 0.00 0.00 43.02 40.99 2nnb s PHE 331 CO -0.00 0.27 -0.13 0.45 -1.34 0.00 0.00 175.22 174.47 2nnb s SER 332 N -3.13 4.15 0.08 1.98 0.15 -1.26 -0.58 113.70 115.09 2nnb s SER 332 Ca 0.19 -0.21 0.01 0.00 0.70 0.00 0.00 55.95 56.64 2nnb s SER 332 Cb -0.01 -0.88 -0.04 0.00 -1.71 0.00 0.00 66.02 63.39 2nnb s SER 332 CO 0.05 0.32 -0.06 -0.76 1.20 0.00 0.00 173.24 173.99 2nnb s LEU 333 N -0.99 2.47 0.06 3.45 1.43 0.11 -0.95 118.68 124.26 2nnb s LEU 333 Ca 0.13 -0.93 0.04 0.00 -1.03 0.00 0.00 54.13 52.34 2nnb s LEU 333 Cb -0.11 -0.05 -0.03 0.00 0.03 0.00 0.00 46.19 46.03 2nnb s LEU 333 CO 0.03 -0.44 -0.12 -0.72 0.23 0.00 0.00 176.35 175.32 2nnb s TYR 334 N -3.30 1.06 -0.15 0.29 1.13 -0.25 -0.59 117.35 115.54 2nnb s TYR 334 Ca 0.08 -0.46 -0.29 0.00 -1.41 0.00 0.00 57.07 54.98 2nnb s TYR 334 Cb 0.03 -0.61 -0.02 0.00 -1.10 0.00 0.00 41.96 40.27 2nnb s TYR 334 CO -0.05 0.02 1.26 0.00 -2.51 0.00 0.00 175.55 174.27 2nnb s ALA 335 N -1.27 3.64 0.37 9.51 0.00 -0.26 -2.36 121.76 131.39 2nnb s ALA 335 Ca -0.04 0.48 0.11 0.00 0.00 0.00 0.00 51.96 52.52 2nnb s ALA 335 Cb -0.10 -3.61 0.72 0.00 0.00 0.00 0.00 23.12 20.14 2nnb s ALA 335 CO 0.02 -1.12 1.84 0.87 0.00 0.00 0.00 175.76 177.37 2nnb h LYS 336 N 8.10 0.07 -3.92 0.00 1.57 -1.12 -0.01 116.57 121.26 2nnb h LYS 336 Ca -0.28 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.38 2nnb h LYS 336 Cb 1.11 -0.01 -0.14 0.00 0.08 0.00 0.00 32.23 33.28 2nnb h LYS 336 CO 0.96 0.39 -0.43 -1.21 -0.57 0.00 0.00 179.45 178.59 2nnb s GLU 337 N -4.32 0.85 0.21 3.15 0.41 -1.26 -4.73 118.70 113.01 2nnb s GLU 337 Ca -0.04 -1.06 -0.29 0.00 -0.41 0.00 0.00 54.97 53.18 2nnb s GLU 337 Cb 0.15 0.32 -0.17 0.00 -1.78 0.00 0.00 34.13 32.65 2nnb s GLU 337 CO 0.73 -0.26 0.65 -0.25 -0.49 0.00 0.00 175.26 175.63 2nnb n ASP 338 N -0.06 -0.69 -3.69 -0.19 10.43 -1.26 -4.22 116.55 116.88 2nnb n ASP 338 Ca -0.13 1.14 -0.03 0.00 2.57 0.00 0.00 54.79 58.34 2nnb n ASP 338 Cb 0.62 -1.01 -0.01 0.00 1.84 0.00 0.00 41.12 42.56 2nnb n ASP 338 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 2nnb s THR 339 N -0.95 0.00 -0.12 -3.53 -1.32 -0.11 -4.90 115.64 104.71 2nnb s THR 339 Ca 0.64 -0.62 0.01 0.00 -1.21 0.00 0.00 61.69 60.51 2nnb s THR 339 Cb -0.90 -2.12 0.02 0.00 -1.51 0.00 0.00 72.50 67.98 2nnb s THR 339 CO 0.57 0.00 -0.13 -0.69 -2.21 0.00 0.00 174.62 172.15 2nnb s VAL 340 N -3.05 1.43 -0.07 5.08 1.01 -1.26 -0.21 120.40 123.32 2nnb s VAL 340 Ca 0.14 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 2nnb s VAL 340 Cb -0.01 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 2nnb s VAL 340 CO 0.02 0.43 0.31 -0.22 0.00 0.00 0.00 175.10 175.64 2nnb s LEU 341 N 1.25 4.40 -0.10 3.92 2.96 0.24 -4.20 118.68 127.14 2nnb s LEU 341 Ca -0.01 0.72 0.00 0.00 -0.22 0.00 0.00 54.13 54.62 2nnb s LEU 341 Cb -0.14 -2.39 0.00 0.00 0.50 0.00 0.00 46.19 44.16 2nnb s LEU 341 CO -0.05 0.30 0.00 0.61 -1.32 0.00 0.00 176.35 175.88 2nnb n GLY 342 N 2.23 0.22 2.93 7.98 0.00 -1.26 -0.35 105.19 116.94 2nnb n GLY 342 Ca -0.15 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2nnb n GLY 342 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nnb n GLY 343 N -0.14 0.50 0.00 -0.02 0.00 -1.26 -4.76 105.19 99.51 2nnb n GLY 343 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2nnb n GLY 343 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2nnb n GLU 344 N -1.80 1.78 -4.01 1.61 1.02 -0.48 -5.02 120.64 113.74 2nnb n GLU 344 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.83 2nnb n GLU 344 Cb 0.08 -0.70 -0.15 0.00 -0.02 0.00 0.00 31.44 30.66 2nnb n GLU 344 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2nnb s TYR 345 N -1.33 3.71 0.27 -0.32 1.51 0.53 -4.33 117.35 117.38 2nnb s TYR 345 Ca 0.00 -2.89 -0.29 0.00 -1.01 0.00 0.00 57.07 52.87 2nnb s TYR 345 Cb 0.00 -2.85 -0.09 0.00 -0.11 0.00 0.00 41.96 38.90 2nnb s TYR 345 CO 0.00 -0.94 1.25 -1.25 -1.11 0.00 0.00 175.55 173.50 2nnb s PRO 346 N 0.94 4.44 0.01 -1.71 0.04 -1.26 0.82 135.00 138.28 2nnb s PRO 346 Ca 0.09 2.04 0.05 0.00 0.04 0.00 0.00 61.00 63.22 2nnb s PRO 346 Cb -0.19 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.18 2nnb s PRO 346 CO -0.07 -0.11 -0.17 -0.51 0.04 0.00 0.00 177.00 176.18 2nnb s LEU 347 N -1.05 2.08 0.25 -3.56 1.43 0.71 -4.92 118.68 113.62 2nnb s LEU 347 Ca 0.51 -0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 53.20 2nnb s LEU 347 Cb -0.36 -0.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.99 2nnb s LEU 347 CO 0.44 0.16 0.50 -1.61 0.23 0.00 0.00 176.35 176.07 2nnb s GLU 348 N -0.67 3.60 0.06 1.70 2.02 -1.26 -0.94 118.70 123.21 2nnb s GLU 348 Ca 0.06 -0.09 -0.37 0.00 0.02 0.00 0.00 54.97 54.58 2nnb s GLU 348 Cb -0.07 -2.71 -0.17 0.00 0.10 0.00 0.00 34.13 31.27 2nnb s GLU 348 CO 0.00 0.29 1.32 1.17 0.02 0.00 0.00 175.26 178.06 2nnb n LYS 349 N -0.77 0.99 -0.03 1.61 4.81 -1.26 -1.63 118.16 121.87 2nnb n LYS 349 Ca -0.03 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 2nnb n LYS 349 Cb 0.54 -1.98 0.00 0.00 0.02 0.00 0.00 35.03 33.61 2nnb n LYS 349 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2nnb n GLY 350 N 2.46 0.95 3.76 3.14 0.00 -0.02 -4.92 105.19 110.56 2nnb n GLY 350 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2nnb n GLY 350 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2nnb s ASP 351 N -2.69 6.71 -0.06 1.61 1.01 -0.65 -4.60 116.67 118.00 2nnb s ASP 351 Ca 0.00 2.68 -0.10 0.00 0.71 0.00 0.00 52.55 55.84 2nnb s ASP 351 Cb 0.00 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 2nnb s ASP 351 CO 0.00 -0.62 0.25 -0.70 0.21 0.00 0.00 175.17 174.31 2nnb s GLU 352 N -1.08 3.63 -0.00 8.23 2.12 -1.26 -1.10 118.70 129.24 2nnb s GLU 352 Ca 0.54 0.07 0.07 0.00 0.36 0.00 0.00 54.97 56.01 2nnb s GLU 352 Cb -0.41 -3.19 -0.02 0.00 0.26 0.00 0.00 34.13 30.78 2nnb s GLU 352 CO 0.48 0.73 -0.21 -0.51 -0.54 0.00 0.00 175.26 175.21 2nnb s LEU 353 N -1.13 2.07 -0.13 2.70 1.43 0.25 -2.98 118.68 120.89 2nnb s LEU 353 Ca 0.20 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 2nnb s LEU 353 Cb -0.14 -1.08 -0.01 0.00 0.03 0.00 0.00 46.19 44.99 2nnb s LEU 353 CO 0.09 0.24 -0.16 -0.32 0.23 0.00 0.00 176.35 176.43 2nnb s MET 354 N -0.65 3.28 -0.19 1.70 1.75 0.89 0.07 119.30 126.15 2nnb s MET 354 Ca 0.08 -0.74 -0.23 0.00 -1.25 0.00 0.00 55.69 53.56 2nnb s MET 354 Cb -0.08 -2.55 -0.02 0.00 2.84 0.00 0.00 34.83 35.01 2nnb s MET 354 CO -0.00 0.18 0.71 0.08 -0.65 0.00 0.00 175.02 175.33 2nnb s VAL 355 N 0.42 4.96 -0.90 10.11 1.01 0.25 -1.24 120.40 135.02 2nnb s VAL 355 Ca -0.12 1.36 -0.15 0.00 0.00 0.00 0.00 61.98 63.07 2nnb s VAL 355 Cb -0.16 -4.02 0.20 0.00 0.00 0.00 0.00 36.38 32.40 2nnb s VAL 355 CO 0.06 0.07 0.91 -0.22 0.00 0.00 0.00 175.10 175.92 2nnb s LEU 356 N 2.04 6.25 0.12 3.92 2.96 -0.59 -2.75 118.68 130.63 2nnb s LEU 356 Ca 0.32 -2.64 -0.21 0.00 -0.22 0.00 0.00 54.13 51.38 2nnb s LEU 356 Cb -0.16 -2.26 -0.06 0.00 0.50 0.00 0.00 46.19 44.21 2nnb s LEU 356 CO 0.11 -0.67 1.71 0.40 -1.32 0.00 0.00 176.35 176.58 2nnb h ILE 357 N 4.91 0.83 -0.61 6.68 2.04 -1.50 -0.51 117.51 129.36 2nnb h ILE 357 Ca 0.14 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.13 2nnb h ILE 357 Cb 1.01 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 2nnb h ILE 357 CO 0.88 0.00 0.42 -0.65 0.00 0.00 0.00 178.15 178.80 2nnb h PRO 358 N -0.02 0.26 0.05 2.37 0.11 -1.87 -0.16 132.00 132.75 2nnb h PRO 358 Ca 0.07 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 65.93 2nnb h PRO 358 Cb 0.13 -0.06 0.02 0.00 0.11 0.00 0.00 31.00 31.20 2nnb h PRO 358 CO -0.16 0.17 -0.96 0.37 -0.21 0.00 0.00 178.00 177.21 2nnb h GLN 359 N 0.27 0.56 -0.73 1.05 5.75 -1.64 -3.01 115.11 117.36 2nnb h GLN 359 Ca 0.29 -0.67 0.12 0.00 -0.15 0.00 0.00 58.65 58.24 2nnb h GLN 359 Cb 0.79 0.21 -0.09 0.00 1.07 0.00 0.00 27.48 29.46 2nnb h GLN 359 CO -0.06 1.28 0.31 1.25 -2.65 0.00 0.00 178.83 178.95 2nnb h LEU 360 N 0.14 0.33 0.00 -2.39 5.85 -0.27 0.19 115.31 119.16 2nnb h LEU 360 Ca -0.14 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2nnb h LEU 360 Cb 1.65 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.74 2nnb h LEU 360 CO 0.19 0.15 0.00 1.41 -0.34 0.00 0.00 178.44 179.85 2nnb n HIS 361 N -4.96 0.00 -0.34 1.25 8.25 -0.15 -1.98 115.22 117.28 2nnb n HIS 361 Ca 0.13 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.62 2nnb n HIS 361 Cb 0.36 -0.02 0.04 0.00 1.12 0.00 0.00 29.99 31.50 2nnb n HIS 361 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2nnb n ARG 362 N -1.02 2.44 -1.77 -0.41 1.74 0.66 -4.88 116.66 113.42 2nnb n ARG 362 Ca 0.12 -1.82 -0.41 0.00 -0.77 0.00 0.00 57.85 54.97 2nnb n ARG 362 Cb 0.06 -1.15 -0.03 0.00 -1.02 0.00 0.00 32.46 30.32 2nnb n ARG 362 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2nnb s ASP 363 N -1.57 5.31 0.52 0.55 -1.08 -0.84 -4.84 116.67 114.72 2nnb s ASP 363 Ca 0.10 1.30 0.33 0.00 -0.52 0.00 0.00 52.55 53.75 2nnb s ASP 363 Cb 0.09 -2.52 1.33 0.00 -1.46 0.00 0.00 42.92 40.36 2nnb s ASP 363 CO 0.01 -2.17 1.95 0.11 0.52 0.00 0.00 175.17 175.59 2nnb h LYS 364 N 15.49 0.00 0.00 4.34 1.57 -1.92 -1.23 116.57 134.82 2nnb h LYS 364 Ca -0.33 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.45 2nnb h LYS 364 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 2nnb h LYS 364 CO 1.07 0.00 -0.02 1.79 -0.57 0.00 0.00 179.45 181.72 2nnb h THR 365 N 0.00 0.08 0.00 -0.16 1.35 -1.88 -1.82 112.91 110.47 2nnb h THR 365 Ca 0.00 -0.35 -0.31 0.00 -0.55 0.00 0.00 66.41 65.20 2nnb h THR 365 Cb 0.49 1.32 -0.05 0.00 -1.73 0.00 0.00 68.15 68.18 2nnb h THR 365 CO 0.00 0.02 -2.00 -0.38 -0.25 0.00 0.00 175.52 172.91 2nnb n ILE 366 N -3.15 1.31 0.97 6.82 2.08 -0.65 -4.67 119.36 122.06 2nnb n ILE 366 Ca -0.01 -0.22 0.12 0.00 0.56 0.00 0.00 62.75 63.20 2nnb n ILE 366 Cb 0.22 -1.90 0.16 0.00 -0.75 0.00 0.00 39.64 37.37 2nnb n ILE 366 CO 0.00 0.00 0.00 0.79 0.56 0.00 0.00 176.55 177.90 2nnb n TRP 367 N -4.09 0.03 0.00 1.39 7.02 -0.56 -5.00 117.44 116.23 2nnb n TRP 367 Ca -0.39 0.01 0.00 0.00 -1.02 0.00 0.00 57.50 56.10 2nnb n TRP 367 Cb 0.74 -0.22 0.00 0.00 -2.42 0.00 0.00 31.31 29.42 2nnb n TRP 367 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2nnb n GLY 368 N 1.49 0.18 0.22 6.99 0.00 -0.69 -4.67 105.19 108.72 2nnb n GLY 368 Ca 0.05 -1.91 0.14 0.00 0.00 0.00 0.00 46.02 44.30 2nnb n GLY 368 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2nnb h ASP 369 N 0.00 0.00 -0.37 1.61 3.45 -1.95 -3.36 116.42 115.80 2nnb h ASP 369 Ca 0.00 0.00 -0.24 0.00 0.43 0.00 0.00 57.03 57.22 2nnb h ASP 369 Cb 0.00 0.00 -0.11 0.00 -0.56 0.00 0.00 39.33 38.66 2nnb h ASP 369 CO 0.00 0.00 0.31 -0.90 -1.57 0.00 0.00 179.24 177.08 2nnb n ASP 370 N -2.94 5.70 0.29 6.45 5.75 -1.26 -4.64 116.55 125.89 2nnb n ASP 370 Ca 0.03 -2.86 0.17 0.00 -0.01 0.00 0.00 54.79 52.11 2nnb n ASP 370 Cb 0.42 -0.99 0.84 0.00 -1.03 0.00 0.00 41.12 40.36 2nnb n ASP 370 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 2nnb h VAL 371 N 0.89 0.27 0.00 2.12 -1.51 -1.88 -1.97 116.25 114.17 2nnb h VAL 371 Ca 0.23 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 2nnb h VAL 371 Cb 1.07 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 2nnb h VAL 371 CO 0.56 0.06 0.00 -0.62 -1.23 0.00 0.00 177.57 176.34 2nnb n GLU 372 N -3.34 0.20 -3.03 5.19 -0.58 -1.26 -4.84 120.64 112.97 2nnb n GLU 372 Ca -0.01 0.17 -0.38 0.00 -0.42 0.00 0.00 57.16 56.52 2nnb n GLU 372 Cb 0.22 -1.74 -0.06 0.00 -0.57 0.00 0.00 31.44 29.29 2nnb n GLU 372 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2nnb s GLU 373 N -3.08 4.41 -0.60 3.49 0.41 -0.74 -5.00 118.70 117.58 2nnb s GLU 373 Ca 0.11 1.02 -0.25 0.00 -0.41 0.00 0.00 54.97 55.44 2nnb s GLU 373 Cb 0.14 -3.05 0.04 0.00 -1.78 0.00 0.00 34.13 29.48 2nnb s GLU 373 CO 0.58 0.47 1.04 0.12 -0.49 0.00 0.00 175.26 176.97 2nnb s PHE 374 N -1.36 2.67 -0.47 1.61 5.36 -1.26 -4.96 117.98 119.58 2nnb s PHE 374 Ca 0.40 -0.02 0.03 0.00 -0.96 0.00 0.00 56.93 56.38 2nnb s PHE 374 Cb -0.20 -4.27 0.16 0.00 -0.34 0.00 0.00 43.02 38.37 2nnb s PHE 374 CO 0.23 -1.54 0.32 0.50 -1.46 0.00 0.00 175.22 173.28 2nnb s ARG 375 N 4.40 1.25 0.63 10.12 3.52 -1.26 -4.98 118.95 132.62 2nnb s ARG 375 Ca 0.32 -2.20 0.30 0.00 -0.13 0.00 0.00 55.73 54.01 2nnb s ARG 375 Cb -0.12 -2.02 1.60 0.00 -1.56 0.00 0.00 34.95 32.85 2nnb s ARG 375 CO 0.18 -1.28 1.95 -1.35 -0.81 0.00 0.00 175.30 173.99 2nnb h PRO 376 N 6.07 0.00 0.00 5.12 0.11 -1.93 -1.94 132.00 139.43 2nnb h PRO 376 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2nnb h PRO 376 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2nnb h PRO 376 CO 0.45 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.17 2nnb h GLU 377 N 0.00 0.00 -0.83 1.05 3.07 -1.94 -1.23 114.58 114.70 2nnb h GLU 377 Ca 0.09 0.00 0.24 0.00 -0.50 0.00 0.00 59.36 59.19 2nnb h GLU 377 Cb 0.81 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.69 2nnb h GLU 377 CO -0.00 0.00 0.70 0.00 -1.40 0.00 0.00 179.01 178.31 2nnb h ARG 378 N 0.00 0.00 -0.59 2.33 3.08 -1.76 -1.89 114.38 115.54 2nnb h ARG 378 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2nnb h ARG 378 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2nnb h ARG 378 CO 0.00 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.09 2nnb n PHE 379 N -3.94 1.05 -0.11 3.04 3.01 -0.46 -4.62 117.46 115.43 2nnb n PHE 379 Ca 0.17 -0.56 0.02 0.00 1.01 0.00 0.00 57.45 58.09 2nnb n PHE 379 Cb 0.99 -0.11 0.34 0.00 -0.01 0.00 0.00 39.48 40.69 2nnb n PHE 379 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2nnb h GLU 380 N 3.58 0.76 -3.48 -1.08 4.81 -1.49 -3.33 114.58 114.36 2nnb h GLU 380 Ca 0.00 -0.05 -0.64 0.00 -0.13 0.00 0.00 59.36 58.54 2nnb h GLU 380 Cb 1.13 -0.17 -0.41 0.00 0.63 0.00 0.00 28.75 29.93 2nnb h GLU 380 CO 0.10 0.50 -0.65 1.21 -0.73 0.00 0.00 179.01 179.44 2nnb s ASN 381 N -6.52 4.31 0.33 1.04 3.84 -1.26 -5.00 114.94 111.67 2nnb s ASN 381 Ca -0.10 -2.90 0.04 0.00 0.21 0.00 0.00 52.86 50.11 2nnb s ASN 381 Cb 0.18 -1.59 0.65 0.00 -0.55 0.00 0.00 41.25 39.94 2nnb s ASN 381 CO 0.76 -0.25 1.93 -0.65 -2.79 0.00 0.00 177.10 176.10 2nnb h PRO 382 N 6.63 0.85 0.00 0.43 0.11 -1.92 -1.57 132.00 136.53 2nnb h PRO 382 Ca -0.07 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2nnb h PRO 382 Cb 0.91 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.83 2nnb h PRO 382 CO 0.66 0.56 0.00 0.66 -0.21 0.00 0.00 178.00 179.67 2nnb h SER 383 N 0.87 0.00 -0.64 -2.05 4.64 -1.95 -1.58 113.55 112.85 2nnb h SER 383 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2nnb h SER 383 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2nnb h SER 383 CO -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.83 2nnb n ALA 384 N -1.96 2.52 -2.70 5.18 0.00 -0.59 -4.86 120.51 118.11 2nnb n ALA 384 Ca -0.02 -1.20 -0.39 0.00 0.00 0.00 0.00 53.44 51.83 2nnb n ALA 384 Cb 0.09 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.52 2nnb n ALA 384 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2nnb s ILE 385 N -1.26 5.10 0.59 0.00 1.01 -0.60 -5.04 121.20 121.01 2nnb s ILE 385 Ca 0.44 1.13 -0.20 0.00 0.00 0.00 0.00 60.65 62.02 2nnb s ILE 385 Cb 0.24 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 2nnb s ILE 385 CO 0.28 0.23 1.27 -2.65 0.00 0.00 0.00 174.94 174.08 2nnb n PRO 386 N 4.20 1.35 -1.81 2.79 -0.02 -1.26 -4.91 135.00 135.34 2nnb n PRO 386 Ca -0.04 0.51 -0.39 0.00 -2.02 0.00 0.00 63.50 61.56 2nnb n PRO 386 Cb 0.51 -2.49 0.02 0.00 -0.02 0.00 0.00 33.50 31.52 2nnb n PRO 386 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2nnb s GLN 387 N -3.03 3.52 -0.30 -0.52 0.74 -1.26 -2.06 119.66 116.74 2nnb s GLN 387 Ca 0.76 2.33 0.00 0.00 0.05 0.00 0.00 55.36 58.51 2nnb s GLN 387 Cb -0.41 -2.52 0.00 0.00 1.10 0.00 0.00 33.01 31.18 2nnb s GLN 387 CO 0.46 -0.92 0.00 0.72 -0.55 0.00 0.00 175.29 174.99 2nnb n HIS 388 N -0.46 -0.06 0.19 1.67 8.25 -1.26 -4.85 115.22 118.70 2nnb n HIS 388 Ca 0.07 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.60 2nnb n HIS 388 Cb 0.43 -1.79 0.28 0.00 1.12 0.00 0.00 29.99 30.03 2nnb n HIS 388 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2nnb h ALA 389 N 0.11 0.90 -3.31 -1.41 0.00 -1.77 -3.44 119.26 110.34 2nnb h ALA 389 Ca -0.06 -0.31 -0.52 0.00 0.00 0.00 0.00 54.91 54.02 2nnb h ALA 389 Cb 0.76 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 18.10 2nnb h ALA 389 CO 0.09 0.42 -0.77 0.12 0.00 0.00 0.00 179.25 179.11 2nnb s PHE 390 N -3.40 1.19 -0.34 0.00 5.36 -1.26 -4.56 117.98 114.97 2nnb s PHE 390 Ca 0.02 -0.93 0.16 0.00 -0.96 0.00 0.00 56.93 55.22 2nnb s PHE 390 Cb 0.09 -1.09 0.46 0.00 -0.34 0.00 0.00 43.02 42.14 2nnb s PHE 390 CO 0.68 -0.61 0.98 1.63 -1.46 0.00 0.00 175.22 176.43 2nnb n LYS 391 N 5.00 1.48 0.24 10.12 5.02 -1.26 -4.87 118.16 133.88 2nnb n LYS 391 Ca -0.09 -3.43 0.16 0.00 -2.02 0.00 0.00 58.31 52.93 2nnb n LYS 391 Cb 0.47 -1.39 0.79 0.00 -0.02 0.00 0.00 35.03 34.88 2nnb n LYS 391 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2nnb h PRO 392 N 2.93 0.00 -0.35 1.97 0.13 -1.96 -2.47 132.00 132.25 2nnb h PRO 392 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2nnb h PRO 392 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2nnb h PRO 392 CO 0.54 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.50 2nnb n PHE 393 N -2.68 1.22 -4.10 1.56 3.01 -1.26 -4.73 117.46 110.47 2nnb n PHE 393 Ca -0.01 -0.82 0.00 0.00 1.01 0.00 0.00 57.45 57.63 2nnb n PHE 393 Cb 0.14 -0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.26 2nnb n PHE 393 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2nnb n GLY 394 N -0.14 -0.56 2.79 1.37 0.00 -0.93 -0.02 105.19 107.70 2nnb n GLY 394 Ca 0.23 -1.12 -0.18 0.00 0.00 0.00 0.00 46.02 44.94 2nnb n GLY 394 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2nnb s ASN 395 N -4.00 0.70 0.20 1.61 3.84 -1.26 -4.84 114.94 111.19 2nnb s ASN 395 Ca 0.00 -0.02 0.00 0.00 0.21 0.00 0.00 52.86 53.05 2nnb s ASN 395 Cb 0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 41.25 40.46 2nnb s ASN 395 CO 0.00 -0.13 0.00 0.61 -2.79 0.00 0.00 177.10 174.79 2nnb n GLY 396 N 4.45 -0.14 0.19 1.21 0.00 -1.26 -2.04 105.19 107.60 2nnb n GLY 396 Ca -0.20 -1.02 0.14 0.00 0.00 0.00 0.00 46.02 44.94 2nnb n GLY 396 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2nnb h GLN 397 N 0.00 0.00 -0.63 1.61 3.07 -2.00 -1.54 115.11 115.62 2nnb h GLN 397 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2nnb h GLN 397 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2nnb h GLN 397 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 178.83 179.46 2nnb n ARG 398 N -2.49 4.21 -1.19 0.06 5.12 -0.99 -4.97 116.66 116.40 2nnb n ARG 398 Ca 0.00 -2.97 -0.29 0.00 -1.93 0.00 0.00 57.85 52.66 2nnb n ARG 398 Cb 0.17 -2.05 0.16 0.00 -1.16 0.00 0.00 32.46 29.58 2nnb n ARG 398 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2nnb s ALA 399 N -2.22 1.15 -0.19 7.54 0.00 -0.58 -4.40 121.76 123.06 2nnb s ALA 399 Ca 0.52 -0.28 -0.32 0.00 0.00 0.00 0.00 51.96 51.88 2nnb s ALA 399 Cb 0.36 -3.14 -0.09 0.00 0.00 0.00 0.00 23.12 20.26 2nnb s ALA 399 CO 0.21 -2.68 2.09 0.00 0.00 0.00 0.00 175.76 175.37 2nnb h ILE 401 N 6.48 1.00 -0.06 0.00 2.10 -1.90 -2.87 117.51 122.25 2nnb h ILE 401 Ca -0.40 -0.97 0.00 0.00 1.08 0.00 0.00 64.86 64.56 2nnb h ILE 401 Cb 1.27 1.55 0.00 0.00 -1.09 0.00 0.00 36.82 38.55 2nnb h ILE 401 CO 0.97 0.26 0.00 0.61 -1.08 0.00 0.00 178.15 178.91 2nnb n GLY 402 N -0.55 -0.70 0.12 8.18 0.00 -1.26 -4.58 105.19 106.40 2nnb n GLY 402 Ca -0.02 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 2nnb n GLY 402 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2nnb h LYS 403 N 0.39 -0.06 -0.61 1.61 3.64 -1.84 0.35 116.57 120.05 2nnb h LYS 403 Ca 0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 2nnb h LYS 403 Cb 0.09 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 2nnb h LYS 403 CO 0.00 -0.04 0.10 1.96 -2.27 0.00 0.00 179.45 179.20 2nnb h GLN 404 N -0.06 0.99 0.31 1.90 7.50 -1.81 -0.40 115.11 123.53 2nnb h GLN 404 Ca 0.08 -0.24 -0.00 0.00 0.50 0.00 0.00 58.65 58.98 2nnb h GLN 404 Cb 0.18 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 27.57 2nnb h GLN 404 CO -0.18 0.91 -0.26 0.35 -1.50 0.00 0.00 178.83 178.15 2nnb h PHE 405 N 0.93 -0.68 -0.59 2.96 3.04 -1.65 0.61 116.94 121.57 2nnb h PHE 405 Ca 0.19 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.14 2nnb h PHE 405 Cb 0.40 0.26 -0.03 0.00 2.56 0.00 0.00 35.95 39.14 2nnb h PHE 405 CO 0.03 -0.38 0.36 0.00 -2.02 0.00 0.00 178.31 176.30 2nnb h ALA 406 N 0.04 0.75 -0.03 2.41 0.00 -0.07 -0.01 119.26 122.33 2nnb h ALA 406 Ca -0.02 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 2nnb h ALA 406 Cb 0.51 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2nnb h ALA 406 CO -0.02 0.22 -0.68 -0.07 0.00 0.00 0.00 179.25 178.69 2nnb h LEU 407 N 0.79 0.19 -0.18 0.00 3.38 -0.87 -0.57 115.31 118.06 2nnb h LEU 407 Ca 0.21 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 2nnb h LEU 407 Cb -0.03 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2nnb h LEU 407 CO -0.04 0.81 -0.27 -0.74 0.09 0.00 0.00 178.44 178.29 2nnb h HIS 408 N 0.11 0.62 0.04 1.13 2.76 0.57 -0.07 115.15 120.30 2nnb h HIS 408 Ca -0.01 -0.21 0.02 0.00 -2.20 0.00 0.00 60.37 57.97 2nnb h HIS 408 Cb 1.22 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 30.02 2nnb h HIS 408 CO 0.02 0.91 -0.23 1.49 -1.30 0.00 0.00 177.93 178.82 2nnb h GLU 409 N 0.15 -0.37 -0.41 5.26 4.57 -0.96 -0.95 114.58 121.86 2nnb h GLU 409 Ca 0.02 0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 58.10 2nnb h GLU 409 Cb 0.85 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 2nnb h GLU 409 CO 0.06 -0.25 -0.23 0.00 -1.18 0.00 0.00 179.01 177.41 2nnb h ALA 410 N 0.44 0.81 -0.04 2.92 0.00 -1.06 -0.82 119.26 121.52 2nnb h ALA 410 Ca 0.05 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2nnb h ALA 410 Cb 0.44 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2nnb h ALA 410 CO -0.18 0.65 0.02 1.15 0.00 0.00 0.00 179.25 180.89 2nnb h THR 411 N 0.72 1.15 -0.42 0.00 2.02 -0.90 -0.28 112.91 115.20 2nnb h THR 411 Ca 0.10 -0.43 0.08 0.00 0.77 0.00 0.00 66.41 66.93 2nnb h THR 411 Cb 0.77 1.36 -0.08 0.00 -1.74 0.00 0.00 68.15 68.46 2nnb h THR 411 CO 0.06 0.12 -0.11 0.25 0.37 0.00 0.00 175.52 176.21 2nnb h LEU 412 N -0.10 -0.42 0.04 2.58 5.85 -1.05 -0.67 115.31 121.55 2nnb h LEU 412 Ca 0.01 0.13 -0.25 0.00 0.84 0.00 0.00 57.88 58.62 2nnb h LEU 412 Cb 0.18 0.27 0.02 0.00 0.37 0.00 0.00 40.66 41.50 2nnb h LEU 412 CO -0.00 -0.15 -0.99 0.58 -0.34 0.00 0.00 178.44 177.54 2nnb h VAL 413 N -0.01 1.32 -0.75 1.05 2.07 -1.04 -1.12 116.25 117.78 2nnb h VAL 413 Ca 0.20 -2.28 -0.05 0.00 0.82 0.00 0.00 66.70 65.40 2nnb h VAL 413 Cb 0.32 2.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.62 2nnb h VAL 413 CO -0.44 0.69 0.28 0.25 0.02 0.00 0.00 177.57 178.37 2nnb h LEU 414 N 0.21 1.04 -0.30 2.57 5.85 -1.06 -0.17 115.31 123.45 2nnb h LEU 414 Ca -0.13 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.44 2nnb h LEU 414 Cb 1.67 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 42.39 2nnb h LEU 414 CO 0.19 0.95 0.07 1.23 -0.34 0.00 0.00 178.44 180.54 2nnb h GLY 415 N 1.08 0.35 0.95 3.75 0.00 -0.95 -1.91 103.07 106.33 2nnb h GLY 415 Ca 0.25 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.56 2nnb h GLY 415 CO -0.02 -0.00 0.33 -0.33 0.00 0.00 0.00 176.54 176.52 2nnb h MET 416 N 0.18 0.65 -0.62 4.80 2.86 -0.97 0.66 114.93 122.49 2nnb h MET 416 Ca 0.14 -0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.83 2nnb h MET 416 Cb 0.14 -0.15 -0.07 0.00 0.06 0.00 0.00 31.60 31.58 2nnb h MET 416 CO -0.17 0.43 0.24 0.52 1.06 0.00 0.00 176.91 178.99 2nnb h MET 417 N 0.67 0.42 0.00 1.72 2.07 -0.71 -0.35 114.93 118.75 2nnb h MET 417 Ca 0.20 -0.03 -0.11 0.00 -2.07 0.00 0.00 59.70 57.70 2nnb h MET 417 Cb -0.03 -0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 29.59 2nnb h MET 417 CO -0.07 0.28 -0.51 -0.07 1.07 0.00 0.00 176.91 177.61 2nnb h LEU 418 N 0.43 0.00 -0.41 1.22 3.38 -0.98 -1.21 115.31 117.74 2nnb h LEU 418 Ca 0.31 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.21 2nnb h LEU 418 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2nnb h LEU 418 CO -0.30 0.51 -0.05 0.50 0.09 0.00 0.00 178.44 179.19 2nnb h LYS 419 N 0.00 0.75 0.00 1.13 3.64 -0.42 -3.38 116.57 118.29 2nnb h LYS 419 Ca -0.01 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2nnb h LYS 419 Cb 1.26 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2nnb h LYS 419 CO 0.07 0.86 -1.56 0.72 -2.27 0.00 0.00 179.45 177.27 2nnb n HIS 420 N -4.38 0.25 -4.05 1.91 8.25 -0.18 -4.83 115.22 112.19 2nnb n HIS 420 Ca -0.01 0.07 -0.10 0.00 -0.26 0.00 0.00 57.72 57.43 2nnb n HIS 420 Cb 0.33 -0.55 -0.11 0.00 1.12 0.00 0.00 29.99 30.78 2nnb n HIS 420 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2nnb s PHE 421 N -3.40 0.51 0.24 4.41 0.08 -0.47 -1.11 117.98 118.23 2nnb s PHE 421 Ca -0.03 -0.71 -0.05 0.00 0.12 0.00 0.00 56.93 56.26 2nnb s PHE 421 Cb 0.13 -0.33 -0.05 0.00 -0.57 0.00 0.00 43.02 42.20 2nnb s PHE 421 CO 0.86 -0.21 0.49 -0.51 -0.10 0.00 0.00 175.22 175.76 2nnb s ASP 422 N -2.06 6.46 0.02 1.36 1.01 0.24 -4.59 116.67 119.11 2nnb s ASP 422 Ca -0.05 0.66 0.09 0.00 0.71 0.00 0.00 52.55 53.95 2nnb s ASP 422 Cb -0.04 -2.12 -0.02 0.00 1.01 0.00 0.00 42.92 41.75 2nnb s ASP 422 CO -0.03 -0.11 -0.26 -0.36 0.21 0.00 0.00 175.17 174.62 2nnb s PHE 423 N -1.93 2.30 -0.08 4.23 0.40 -1.26 0.54 117.98 122.18 2nnb s PHE 423 Ca 0.43 -0.42 0.02 0.00 -0.60 0.00 0.00 56.93 56.36 2nnb s PHE 423 Cb -0.11 -1.43 0.01 0.00 0.51 0.00 0.00 43.02 42.01 2nnb s PHE 423 CO 0.28 0.05 -0.13 -2.00 0.70 0.00 0.00 175.22 174.11 2nnb s GLU 424 N -0.95 1.88 -1.31 0.44 2.12 0.95 -4.96 118.70 116.87 2nnb s GLU 424 Ca 0.11 -0.46 -0.11 0.00 0.36 0.00 0.00 54.97 54.87 2nnb s GLU 424 Cb -0.10 -1.57 0.14 0.00 0.26 0.00 0.00 34.13 32.86 2nnb s GLU 424 CO 0.01 -0.00 1.88 -3.47 -0.54 0.00 0.00 175.26 173.13 2nnb n ASP 425 N 3.96 4.87 0.07 -1.70 2.03 -1.26 -0.30 116.55 124.21 2nnb n ASP 425 Ca -0.21 -3.03 0.11 0.00 0.52 0.00 0.00 54.79 52.18 2nnb n ASP 425 Cb 0.52 -1.54 0.45 0.00 -0.72 0.00 0.00 41.12 39.83 2nnb n ASP 425 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2nnb n HIS 426 N 4.74 0.47 0.49 -0.67 1.44 -1.26 -1.81 115.22 118.62 2nnb n HIS 426 Ca 0.42 0.16 0.10 0.00 -2.01 0.00 0.00 57.72 56.40 2nnb n HIS 426 Cb 0.38 -0.76 0.15 0.00 0.12 0.00 0.00 29.99 29.88 2nnb n HIS 426 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2nnb n THR 427 N -1.91 0.31 -3.71 0.61 -2.24 -1.26 -4.97 114.28 101.12 2nnb n THR 427 Ca 0.04 -0.66 -0.27 0.00 -2.27 0.00 0.00 64.05 60.90 2nnb n THR 427 Cb 0.28 1.14 0.03 0.00 -2.10 0.00 0.00 70.33 69.68 2nnb n THR 427 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2nnb n ASN 428 N 1.24 -3.45 -4.63 3.42 5.15 -0.75 -4.79 115.26 111.44 2nnb n ASN 428 Ca 0.15 -0.95 -0.49 0.00 -0.60 0.00 0.00 54.58 52.69 2nnb n ASN 428 Cb 0.54 -3.60 -0.05 0.00 -0.53 0.00 0.00 39.78 36.14 2nnb n ASN 428 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2nnb n TYR 429 N -4.18 1.88 -3.41 1.20 9.36 -1.26 -4.95 117.16 115.81 2nnb n TYR 429 Ca -0.18 0.46 -0.40 0.00 3.32 0.00 0.00 57.90 61.09 2nnb n TYR 429 Cb 0.63 -2.44 -0.09 0.00 -0.63 0.00 0.00 39.34 36.81 2nnb n TYR 429 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 2nnb s GLU 430 N 0.74 3.69 0.12 2.98 -6.30 -1.26 -5.03 118.70 113.64 2nnb s GLU 430 Ca 0.82 -0.30 -0.35 0.00 -2.50 0.00 0.00 54.97 52.64 2nnb s GLU 430 Cb -0.82 -3.76 -0.15 0.00 0.00 0.00 0.00 34.13 29.40 2nnb s GLU 430 CO 0.43 -0.45 1.50 -0.11 0.02 0.00 0.00 175.26 176.65 2nnb n LEU 431 N 5.36 2.55 -3.61 2.70 7.94 -1.26 -4.97 117.00 125.71 2nnb n LEU 431 Ca -0.09 1.09 -0.27 0.00 -1.11 0.00 0.00 56.01 55.63 2nnb n LEU 431 Cb 0.50 -1.33 -0.16 0.00 0.53 0.00 0.00 43.42 42.95 2nnb n LEU 431 CO 0.39 -0.57 -0.33 -0.62 -1.11 0.00 0.00 177.39 175.15 2nnb s ASP 432 N 0.89 2.71 -0.51 1.96 2.15 -1.26 -5.07 116.67 117.54 2nnb s ASP 432 Ca 0.82 -0.81 -0.18 0.00 0.43 0.00 0.00 52.55 52.81 2nnb s ASP 432 Cb -0.79 -0.33 0.08 0.00 -0.30 0.00 0.00 42.92 41.58 2nnb s ASP 432 CO 0.42 -0.37 0.54 -0.63 -0.17 0.00 0.00 175.17 174.97 2nnb s ILE 433 N 2.08 5.02 0.08 4.11 1.01 -1.26 -0.57 121.20 131.68 2nnb s ILE 433 Ca 0.03 -0.86 -0.30 0.00 0.00 0.00 0.00 60.65 59.52 2nnb s ILE 433 Cb -0.16 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 37.99 2nnb s ILE 433 CO -0.15 -0.78 1.03 -0.75 0.00 0.00 0.00 174.94 174.28 2nnb s LYS 434 N 2.19 4.60 -0.17 2.79 2.20 0.02 -4.89 119.74 126.48 2nnb s LYS 434 Ca 0.10 1.53 -0.04 0.00 -0.36 0.00 0.00 55.97 57.19 2nnb s LYS 434 Cb -0.23 -3.38 -0.03 0.00 -1.51 0.00 0.00 37.83 32.68 2nnb s LYS 434 CO 0.08 0.04 -0.02 -1.21 -0.36 0.00 0.00 175.35 173.88 2nnb s GLU 435 N 0.42 3.69 0.00 4.03 2.02 -1.26 -2.20 118.70 125.41 2nnb s GLU 435 Ca 0.51 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 55.00 2nnb s GLU 435 Cb -0.24 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 30.99 2nnb s GLU 435 CO 0.30 0.18 0.00 0.25 0.02 0.00 0.00 175.26 176.01 2nnb n THR 436 N 3.72 0.00 0.28 3.63 -2.24 -1.26 -4.91 114.28 113.51 2nnb n THR 436 Ca -0.17 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.76 2nnb n THR 436 Cb 0.52 0.00 0.80 0.00 -2.10 0.00 0.00 70.33 69.55 2nnb n THR 436 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2nnb h LEU 437 N 0.00 0.00 0.00 3.22 5.85 -1.95 -3.46 115.31 118.97 2nnb h LEU 437 Ca 0.00 0.00 -0.47 0.00 0.84 0.00 0.00 57.88 58.25 2nnb h LEU 437 Cb 0.00 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 40.92 2nnb h LEU 437 CO 0.00 0.07 -0.41 0.35 -0.34 0.00 0.00 178.44 178.12 2nnb n THR 438 N -3.39 0.00 -4.28 1.05 -2.24 -1.26 -4.61 114.28 99.55 2nnb n THR 438 Ca -0.01 -2.09 -0.30 0.00 -2.27 0.00 0.00 64.05 59.37 2nnb n THR 438 Cb 0.23 0.83 -0.10 0.00 -2.10 0.00 0.00 70.33 69.19 2nnb n THR 438 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2nnb s LEU 439 N 0.00 3.09 -0.03 3.22 1.43 -0.31 -4.32 118.68 121.76 2nnb s LEU 439 Ca 0.23 -0.32 -0.28 0.00 -1.03 0.00 0.00 54.13 52.72 2nnb s LEU 439 Cb 0.01 -1.86 0.06 0.00 0.03 0.00 0.00 46.19 44.43 2nnb s LEU 439 CO 0.16 0.20 0.62 -1.59 0.23 0.00 0.00 176.35 175.97 2nnb s LYS 440 N -2.05 1.02 -1.07 1.70 -2.85 -0.93 -4.61 119.74 110.95 2nnb s LYS 440 Ca 0.21 0.13 -0.21 0.00 -1.00 0.00 0.00 55.97 55.11 2nnb s LYS 440 Cb -0.11 0.48 0.08 0.00 -2.06 0.00 0.00 37.83 36.21 2nnb s LYS 440 CO 0.13 -0.33 1.45 -1.25 0.10 0.00 0.00 175.35 175.45 2nnb s PRO 441 N -1.42 3.71 0.12 1.78 0.04 -1.26 -0.80 135.00 137.16 2nnb s PRO 441 Ca -0.10 -1.51 -0.34 0.00 0.04 0.00 0.00 61.00 59.09 2nnb s PRO 441 Cb -0.01 -5.29 -0.14 0.00 0.04 0.00 0.00 34.50 29.10 2nnb s PRO 441 CO 0.07 -2.11 1.63 -1.91 0.04 0.00 0.00 177.00 174.72 2nnb n GLU 442 N 8.14 2.14 -1.01 4.56 2.13 0.27 -2.13 120.64 134.75 2nnb n GLU 442 Ca 0.35 0.77 -0.00 0.00 0.66 0.00 0.00 57.16 58.94 2nnb n GLU 442 Cb 0.49 -2.55 -0.00 0.00 0.27 0.00 0.00 31.44 29.65 2nnb n GLU 442 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2nnb n GLY 443 N 3.57 0.47 3.72 8.31 0.00 -1.26 -4.50 105.19 115.50 2nnb n GLY 443 Ca 0.18 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2nnb n GLY 443 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2nnb s PHE 444 N -1.95 3.10 0.01 1.61 5.36 -0.90 -4.97 117.98 120.25 2nnb s PHE 444 Ca 0.00 0.74 -0.03 0.00 -0.96 0.00 0.00 56.93 56.68 2nnb s PHE 444 Cb 0.00 -3.86 -0.01 0.00 -0.34 0.00 0.00 43.02 38.81 2nnb s PHE 444 CO 0.00 -3.10 0.04 0.54 -1.46 0.00 0.00 175.22 171.24 2nnb s VAL 445 N 1.02 0.10 0.09 3.12 0.11 -1.26 -1.66 120.40 121.92 2nnb s VAL 445 Ca 0.68 -0.83 -0.13 0.00 -2.93 0.00 0.00 61.98 58.77 2nnb s VAL 445 Cb -0.42 -0.33 0.02 0.00 -1.53 0.00 0.00 36.38 34.12 2nnb s VAL 445 CO 0.32 -0.45 0.31 0.54 -3.33 0.00 0.00 175.10 172.49 2nnb s VAL 446 N -1.44 0.10 -0.08 2.04 0.11 -0.93 -4.68 120.40 115.52 2nnb s VAL 446 Ca -0.16 -0.79 0.02 0.00 -2.93 0.00 0.00 61.98 58.12 2nnb s VAL 446 Cb -0.09 -1.17 -0.02 0.00 -1.53 0.00 0.00 36.38 33.57 2nnb s VAL 446 CO 0.00 -0.44 -0.13 -0.54 -3.33 0.00 0.00 175.10 170.67 2nnb s LYS 447 N -3.53 2.83 -0.10 1.54 1.02 0.59 -0.87 119.74 121.22 2nnb s LYS 447 Ca 0.02 -0.67 -0.03 0.00 0.02 0.00 0.00 55.97 55.31 2nnb s LYS 447 Cb 0.02 -2.50 -0.03 0.00 -0.52 0.00 0.00 37.83 34.80 2nnb s LYS 447 CO -0.10 0.50 0.01 0.00 -0.92 0.00 0.00 175.35 174.84 2nnb s ALA 448 N -0.40 3.31 -0.20 5.17 0.00 -1.26 -0.04 121.76 128.35 2nnb s ALA 448 Ca 0.05 -0.79 -0.02 0.00 0.00 0.00 0.00 51.96 51.19 2nnb s ALA 448 Cb -0.12 -1.54 -0.00 0.00 0.00 0.00 0.00 23.12 21.46 2nnb s ALA 448 CO 0.02 0.55 -0.09 0.15 0.00 0.00 0.00 175.76 176.38 2nnb s LYS 449 N -0.75 3.28 0.28 0.00 1.02 0.19 -4.95 119.74 118.81 2nnb s LYS 449 Ca 0.12 -0.68 -0.30 0.00 0.02 0.00 0.00 55.97 55.12 2nnb s LYS 449 Cb -0.12 -2.85 -0.12 0.00 -0.52 0.00 0.00 37.83 34.22 2nnb s LYS 449 CO 0.02 -0.15 1.50 0.45 -0.92 0.00 0.00 175.35 176.26 2nnb n SER 450 N 4.59 3.37 -0.14 2.83 2.88 -1.26 -0.59 113.62 125.29 2nnb n SER 450 Ca -0.19 1.15 0.10 0.00 -1.33 0.00 0.00 58.87 58.60 2nnb n SER 450 Cb 0.51 -1.52 0.51 0.00 -0.75 0.00 0.00 64.21 62.96 2nnb n SER 450 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2nnb n LYS 451 N 1.95 1.19 -4.03 -1.46 5.02 -0.27 -4.82 118.16 115.73 2nnb n LYS 451 Ca 0.09 -0.28 -0.32 0.00 -2.02 0.00 0.00 58.31 55.78 2nnb n LYS 451 Cb 0.35 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 2nnb n LYS 451 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2nnb n LYS 452 N -0.51 -4.42 -3.43 1.97 5.02 -1.26 -4.95 118.16 110.58 2nnb n LYS 452 Ca 0.15 0.50 -0.41 0.00 -2.02 0.00 0.00 58.31 56.53 2nnb n LYS 452 Cb 0.13 -5.25 -0.10 0.00 -0.02 0.00 0.00 35.03 29.79 2nnb n LYS 452 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2nnb s ILE 453 N -3.36 5.19 0.58 -0.18 1.01 -1.26 -5.07 121.20 118.11 2nnb s ILE 453 Ca 0.62 -0.01 -0.18 0.00 0.00 0.00 0.00 60.65 61.08 2nnb s ILE 453 Cb -0.32 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 2nnb s ILE 453 CO 0.87 -0.08 1.11 -2.84 0.00 0.00 0.00 174.94 174.00 2nnb s PRO 454 N 1.96 3.21 0.00 2.79 0.02 -1.26 -4.98 135.00 136.74 2nnb s PRO 454 Ca 0.11 1.49 0.29 0.00 0.02 0.00 0.00 61.00 62.91 2nnb s PRO 454 Cb -0.17 -2.00 1.34 0.00 0.02 0.00 0.00 34.50 33.70 2nnb s PRO 454 CO 0.11 -0.94 1.91 1.28 -0.33 0.00 0.00 177.00 179.03