#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 4.33 -0.02 1.97 0.41 -1.26 -4.80 118.70 119.32 2nnb s GLU 4 Ca 0.00 1.59 -0.28 0.00 -0.41 0.00 0.00 54.97 55.88 2nnb s GLU 4 Cb 0.00 -3.61 -0.03 0.00 -1.78 0.00 0.00 34.13 28.71 2nnb s GLU 4 CO 0.00 -0.50 0.88 1.41 -0.49 0.00 0.00 175.26 176.57 2nnb s MET 5 N 2.54 4.52 0.90 1.61 1.75 -1.26 -5.04 119.30 124.32 2nnb s MET 5 Ca 0.53 1.23 -0.12 0.00 -1.25 0.00 0.00 55.69 56.09 2nnb s MET 5 Cb -0.22 -3.46 0.08 0.00 2.84 0.00 0.00 34.83 34.07 2nnb s MET 5 CO 0.18 -0.01 0.79 -2.30 -0.65 0.00 0.00 175.02 173.03 2nnb n PRO 6 N 3.86 -0.23 -3.73 4.11 -0.02 -1.26 -4.71 135.00 133.02 2nnb n PRO 6 Ca 0.04 -0.01 -0.13 0.00 -2.02 0.00 0.00 63.50 61.37 2nnb n PRO 6 Cb 0.51 -2.12 -0.10 0.00 -0.02 0.00 0.00 33.50 31.77 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 -3.98 0.50 1.08 -0.52 0.74 -1.26 -1.00 119.66 115.21 2nnb s GLN 7 Ca 0.64 0.60 -0.18 0.00 0.05 0.00 0.00 55.36 56.46 2nnb s GLN 7 Cb -0.24 0.24 0.25 0.00 1.10 0.00 0.00 33.01 34.36 2nnb s GLN 7 CO 0.61 -0.06 1.27 -1.25 -0.55 0.00 0.00 175.29 175.30 2nnb s PRO 8 N 0.26 -0.28 0.13 1.67 0.04 -1.26 -4.98 135.00 130.58 2nnb s PRO 8 Ca -0.00 -0.39 -0.34 0.00 0.04 0.00 0.00 61.00 60.31 2nnb s PRO 8 Cb -0.03 -1.74 -0.16 0.00 0.04 0.00 0.00 34.50 32.61 2nnb s PRO 8 CO 0.00 -3.04 1.19 1.17 0.04 0.00 0.00 177.00 176.37 2nnb n LYS 9 N -4.21 1.03 -3.94 4.56 4.81 -1.26 -4.94 118.16 114.21 2nnb n LYS 9 Ca 0.16 0.37 -0.21 0.00 -0.87 0.00 0.00 58.31 57.76 2nnb n LYS 9 Cb 0.59 -1.90 -0.02 0.00 0.02 0.00 0.00 35.03 33.72 2nnb n LYS 9 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2nnb s THR 10 N 0.01 4.95 -0.48 3.15 -4.23 -1.26 -4.40 115.64 113.37 2nnb s THR 10 Ca 0.78 -1.08 0.08 0.00 -1.18 0.00 0.00 61.69 60.29 2nnb s THR 10 Cb -0.92 -3.72 0.33 0.00 1.34 0.00 0.00 72.50 69.53 2nnb s THR 10 CO 0.51 -0.31 0.81 0.49 -0.54 0.00 0.00 174.62 175.57 2nnb n PHE 11 N -1.39 2.08 0.00 3.99 3.01 0.19 -4.95 117.46 120.39 2nnb n PHE 11 Ca -0.08 -3.90 0.00 0.00 1.01 0.00 0.00 57.45 54.48 2nnb n PHE 11 Cb 0.57 -0.46 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 2nnb n PHE 11 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2nnb n GLY 12 N 0.20 2.64 0.05 1.37 0.00 -1.26 -1.74 105.19 106.45 2nnb n GLY 12 Ca 0.28 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 46.15 2nnb n GLY 12 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2nnb n GLU 13 N 12.94 0.14 0.00 1.61 -0.00 -1.26 -2.60 120.64 131.48 2nnb n GLU 13 Ca 0.00 0.11 0.13 0.00 -0.00 0.00 0.00 57.16 57.40 2nnb n GLU 13 Cb 0.00 -1.66 0.40 0.00 -0.00 0.00 0.00 31.44 30.19 2nnb n GLU 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2nnb n LEU 14 N -1.89 0.33 0.00 -1.84 4.32 -0.71 -4.44 117.00 112.77 2nnb n LEU 14 Ca 0.06 0.18 0.00 0.00 -0.02 0.00 0.00 56.01 56.23 2nnb n LEU 14 Cb 0.39 -0.33 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 2nnb n LEU 14 CO 0.29 0.08 0.00 0.29 -1.22 0.00 0.00 177.39 176.83 2nnb n LYS 15 N -1.46 0.00 0.00 3.23 4.76 -1.07 -2.07 118.16 121.55 2nnb n LYS 15 Ca 0.07 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.63 2nnb n LYS 15 Cb 0.33 0.00 0.25 0.00 -1.84 0.00 0.00 35.03 33.78 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 4.00 0.99 -0.29 4.39 4.13 -0.18 0.52 115.26 128.82 2nnb n ASN 16 Ca 0.00 -0.79 0.11 0.00 1.68 0.00 0.00 54.58 55.59 2nnb n ASN 16 Cb 0.00 0.28 0.26 0.00 -1.54 0.00 0.00 39.78 38.78 2nnb n ASN 16 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 2nnb h LEU 17 N 0.90 -0.05 -2.32 3.41 5.85 -1.36 0.28 115.31 122.03 2nnb h LEU 17 Ca 0.00 0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.95 2nnb h LEU 17 Cb 0.53 0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 2nnb h LEU 17 CO 0.00 -0.15 0.16 -0.65 -0.34 0.00 0.00 178.44 177.46 2nnb h PRO 18 N 0.20 0.00 0.00 5.25 0.11 -1.81 -1.00 132.00 134.75 2nnb h PRO 18 Ca 0.52 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.62 2nnb h PRO 18 Cb 1.03 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 2nnb h PRO 18 CO -0.65 0.00 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.02 2nnb h LEU 19 N 0.00 0.00 -3.03 2.35 3.38 -0.77 -2.26 115.31 114.98 2nnb h LEU 19 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2nnb h LEU 19 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2nnb h LEU 19 CO -0.00 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.58 2nnb n LEU 20 N -3.43 3.49 -3.70 1.67 -0.00 -0.39 -4.65 117.00 110.00 2nnb n LEU 20 Ca -0.02 -2.37 -0.42 0.00 -0.00 0.00 0.00 56.01 53.21 2nnb n LEU 20 Cb 0.19 -0.38 -0.00 0.00 -0.00 0.00 0.00 43.42 43.22 2nnb n LEU 20 CO 0.27 0.73 2.66 -3.20 -0.00 0.00 0.00 177.39 177.85 2nnb n ASN 21 N 0.32 4.66 -3.57 1.45 4.05 -0.85 -4.80 115.26 116.52 2nnb n ASN 21 Ca 0.17 -2.85 -0.12 0.00 0.45 0.00 0.00 54.58 52.22 2nnb n ASN 21 Cb 0.63 -1.62 -0.04 0.00 1.23 0.00 0.00 39.78 39.98 2nnb n ASN 21 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 2nnb s THR 22 N 2.61 0.04 0.22 -0.44 -1.32 -1.26 -5.04 115.64 110.44 2nnb s THR 22 Ca 0.49 -0.33 0.27 0.00 -1.21 0.00 0.00 61.69 60.90 2nnb s THR 22 Cb 0.14 -1.05 0.27 0.00 -1.51 0.00 0.00 72.50 70.35 2nnb s THR 22 CO -0.07 -0.18 1.92 0.44 -2.21 0.00 0.00 174.62 174.52 2nnb h ASP 23 N 2.45 0.00 -2.14 8.08 5.19 -1.98 -3.36 116.42 124.65 2nnb h ASP 23 Ca -0.33 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.51 2nnb h ASP 23 Cb 1.25 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 40.35 2nnb h ASP 23 CO 0.43 0.17 -0.82 0.29 -3.12 0.00 0.00 179.24 176.18 2nnb n LYS 24 N -3.41 2.06 -0.17 3.56 5.02 -1.26 -4.22 118.16 119.73 2nnb n LYS 24 Ca -0.00 -4.19 -0.07 0.00 -2.02 0.00 0.00 58.31 52.03 2nnb n LYS 24 Cb 0.36 -1.93 0.09 0.00 -0.02 0.00 0.00 35.03 33.53 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 3.61 0.95 -0.43 1.97 0.13 -1.87 -0.90 132.00 135.46 2nnb h PRO 25 Ca 0.14 -0.27 -0.11 0.00 -0.87 0.00 0.00 66.00 64.88 2nnb h PRO 25 Cb 0.72 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.73 2nnb h PRO 25 CO 0.69 0.93 -0.18 0.28 -0.23 0.00 0.00 178.00 179.49 2nnb h VAL 26 N 0.88 1.27 -0.15 1.56 2.07 -1.96 0.26 116.25 120.17 2nnb h VAL 26 Ca 0.17 -1.29 -0.12 0.00 0.82 0.00 0.00 66.70 66.27 2nnb h VAL 26 Cb 0.49 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2nnb h VAL 26 CO 0.02 0.44 -0.43 1.56 0.02 0.00 0.00 177.57 179.18 2nnb h GLN 27 N 0.73 0.36 -0.56 1.57 4.20 -1.90 0.12 115.11 119.62 2nnb h GLN 27 Ca 0.11 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 2nnb h GLN 27 Cb 0.70 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 2nnb h GLN 27 CO 0.05 0.73 0.24 0.00 -0.67 0.00 0.00 178.83 179.18 2nnb h ALA 28 N 1.25 0.73 -0.54 3.87 0.00 -0.85 -2.75 119.26 120.96 2nnb h ALA 28 Ca 0.02 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2nnb h ALA 28 Cb 0.88 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2nnb h ALA 28 CO 0.07 0.33 0.14 -0.07 0.00 0.00 0.00 179.25 179.72 2nnb h LEU 29 N 0.77 0.77 -0.99 0.00 3.38 -0.07 -2.03 115.31 117.14 2nnb h LEU 29 Ca 0.19 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2nnb h LEU 29 Cb 0.18 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 2nnb h LEU 29 CO -0.02 0.75 0.49 0.24 0.09 0.00 0.00 178.44 179.99 2nnb h MET 30 N 0.80 1.19 -0.43 1.13 2.86 -0.64 -0.22 114.93 119.62 2nnb h MET 30 Ca 0.18 -0.13 -0.07 0.00 -2.06 0.00 0.00 59.70 57.62 2nnb h MET 30 Cb 0.28 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 2nnb h MET 30 CO -0.00 0.86 -0.03 1.57 1.06 0.00 0.00 176.91 180.36 2nnb h LYS 31 N 1.21 0.72 -0.04 1.72 5.09 -1.16 0.17 116.57 124.28 2nnb h LYS 31 Ca 0.31 -0.20 -0.01 0.00 0.09 0.00 0.00 60.65 60.84 2nnb h LYS 31 Cb 0.00 -0.08 -0.00 0.00 0.10 0.00 0.00 32.23 32.25 2nnb h LYS 31 CO -0.05 0.76 0.00 0.82 -2.09 0.00 0.00 179.45 178.89 2nnb h ILE 32 N 0.67 1.23 -1.00 0.07 2.04 -1.05 -1.09 117.51 118.38 2nnb h ILE 32 Ca 0.13 -0.70 0.22 0.00 1.00 0.00 0.00 64.86 65.51 2nnb h ILE 32 Cb 0.47 1.62 -0.12 0.00 -0.74 0.00 0.00 36.82 38.05 2nnb h ILE 32 CO 0.02 0.19 0.60 0.00 0.00 0.00 0.00 178.15 178.97 2nnb h ALA 33 N 0.73 1.73 -0.81 1.87 0.00 -0.83 0.37 119.26 122.33 2nnb h ALA 33 Ca 0.01 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2nnb h ALA 33 Cb 0.30 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2nnb h ALA 33 CO 0.00 -0.15 0.36 -0.44 0.00 0.00 0.00 179.25 179.02 2nnb h ASP 34 N 0.68 1.07 -0.01 0.00 3.32 0.16 0.28 116.42 121.92 2nnb h ASP 34 Ca 0.61 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 57.42 2nnb h ASP 34 Cb 1.05 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 40.34 2nnb h ASP 34 CO -0.43 0.92 -0.37 -0.08 -1.72 0.00 0.00 179.24 177.57 2nnb h GLU 35 N 1.16 0.26 0.00 3.56 4.57 0.09 -3.38 114.58 120.84 2nnb h GLU 35 Ca 0.27 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2nnb h GLU 35 Cb 0.16 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 2nnb h GLU 35 CO -0.03 0.98 -1.78 1.28 -1.18 0.00 0.00 179.01 178.28 2nnb n LEU 36 N -4.40 0.21 0.00 1.64 4.77 0.12 -5.08 117.00 114.26 2nnb n LEU 36 Ca -0.10 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 2nnb n LEU 36 Cb 0.56 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 2nnb n LEU 36 CO 0.42 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2nnb n GLY 37 N 1.31 -0.23 0.13 -0.72 0.00 0.08 -4.70 105.19 101.05 2nnb n GLY 37 Ca -0.02 -1.89 0.13 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.59 1.61 4.11 -1.92 -3.43 114.58 112.36 2nnb h GLU 38 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.33 2nnb h GLU 38 Cb 0.00 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 28.99 2nnb h GLU 38 CO 0.00 0.00 -0.25 -1.50 0.07 0.00 0.00 179.01 177.33 2nnb s ILE 39 N -3.25 -0.02 0.05 -1.06 2.07 -1.25 -1.52 121.20 116.22 2nnb s ILE 39 Ca 0.07 0.07 0.02 0.00 -1.41 0.00 0.00 60.65 59.40 2nnb s ILE 39 Cb 0.10 -0.65 -0.03 0.00 0.13 0.00 0.00 42.46 42.02 2nnb s ILE 39 CO 0.49 0.03 -0.08 0.72 -1.91 0.00 0.00 174.94 174.19 2nnb s PHE 40 N 1.23 0.72 0.35 3.50 -0.12 -0.84 -4.21 117.98 118.62 2nnb s PHE 40 Ca -0.08 -0.54 -0.25 0.00 -0.05 0.00 0.00 56.93 56.01 2nnb s PHE 40 Cb -0.07 -0.43 -0.10 0.00 -0.63 0.00 0.00 43.02 41.79 2nnb s PHE 40 CO -0.11 -0.08 0.95 -1.59 -0.05 0.00 0.00 175.22 174.34 2nnb s LYS 41 N -1.80 4.49 -0.10 1.99 0.00 -0.17 -0.66 119.74 123.50 2nnb s LYS 41 Ca -0.08 1.29 -0.04 0.00 0.00 0.00 0.00 55.97 57.15 2nnb s LYS 41 Cb -0.09 -2.65 0.05 0.00 0.00 0.00 0.00 37.83 35.14 2nnb s LYS 41 CO 0.00 0.20 0.20 0.12 0.00 0.00 0.00 175.35 175.86 2nnb s PHE 42 N -1.74 -0.27 0.03 1.78 5.36 0.88 -4.26 117.98 119.76 2nnb s PHE 42 Ca 0.53 0.73 0.08 0.00 -0.96 0.00 0.00 56.93 57.31 2nnb s PHE 42 Cb -0.17 -0.14 -0.02 0.00 -0.34 0.00 0.00 43.02 42.35 2nnb s PHE 42 CO 0.21 -0.28 -0.23 -1.21 -1.46 0.00 0.00 175.22 172.25 2nnb s GLU 43 N 2.11 1.62 0.44 10.12 2.02 -1.26 0.50 118.70 134.24 2nnb s GLU 43 Ca -0.00 -0.97 0.03 0.00 0.02 0.00 0.00 54.97 54.05 2nnb s GLU 43 Cb -0.12 -1.72 -0.03 0.00 0.10 0.00 0.00 34.13 32.36 2nnb s GLU 43 CO -0.07 0.45 0.06 0.00 0.02 0.00 0.00 175.26 175.72 2nnb s ALA 44 N -0.74 3.33 0.12 5.21 0.00 -0.87 -1.01 121.76 127.80 2nnb s ALA 44 Ca 0.09 -1.12 -0.32 0.00 0.00 0.00 0.00 51.96 50.62 2nnb s ALA 44 Cb -0.09 0.42 -0.11 0.00 0.00 0.00 0.00 23.12 23.33 2nnb s ALA 44 CO 0.01 -0.20 1.53 -1.35 0.00 0.00 0.00 175.76 175.76 2nnb h PRO 45 N 1.66 -0.39 -0.01 0.00 0.11 -1.78 -2.41 132.00 129.19 2nnb h PRO 45 Ca -0.40 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2nnb h PRO 45 Cb 1.28 0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.48 2nnb h PRO 45 CO 0.67 -0.26 0.02 0.78 -0.21 0.00 0.00 178.00 179.00 2nnb h GLY 46 N -0.40 0.00 -3.15 -0.55 0.00 -1.97 -3.48 103.07 93.52 2nnb h GLY 46 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.31 2nnb h GLY 46 CO -0.56 0.00 -0.39 1.09 0.00 0.00 0.00 176.54 176.68 2nnb s ARG 47 N -4.50 0.84 -0.01 4.80 1.70 -0.91 -5.15 118.95 115.73 2nnb s ARG 47 Ca -0.05 -0.98 0.00 0.00 -0.47 0.00 0.00 55.73 54.23 2nnb s ARG 47 Cb 0.14 0.33 0.01 0.00 -0.57 0.00 0.00 34.95 34.87 2nnb s ARG 47 CO 0.51 -0.26 0.00 0.08 -1.08 0.00 0.00 175.30 174.55 2nnb s VAL 48 N -3.87 0.02 0.26 4.99 1.01 -1.26 -2.04 120.40 119.51 2nnb s VAL 48 Ca 0.06 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.08 2nnb s VAL 48 Cb 0.05 -0.06 -0.05 0.00 0.00 0.00 0.00 36.38 36.33 2nnb s VAL 48 CO -0.11 0.03 0.11 -0.89 0.00 0.00 0.00 175.10 174.24 2nnb s THR 49 N 0.23 0.48 -0.13 3.92 2.01 0.18 -4.57 115.64 117.76 2nnb s THR 49 Ca -0.02 -2.00 0.01 0.00 0.31 0.00 0.00 61.69 59.99 2nnb s THR 49 Cb -0.03 -2.60 0.02 0.00 0.01 0.00 0.00 72.50 69.90 2nnb s THR 49 CO -0.01 0.00 -0.14 -0.13 -0.69 0.00 0.00 174.62 173.65 2nnb s ARG 50 N -4.00 2.23 -0.20 4.92 0.52 -1.08 -0.09 118.95 121.26 2nnb s ARG 50 Ca 0.37 -0.54 -0.26 0.00 -0.52 0.00 0.00 55.73 54.78 2nnb s ARG 50 Cb 0.07 -2.00 -0.01 0.00 0.52 0.00 0.00 34.95 33.54 2nnb s ARG 50 CO 0.14 -0.18 0.88 0.71 0.02 0.00 0.00 175.30 176.88 2nnb s TYR 51 N 1.32 3.38 -0.10 -0.53 1.51 0.17 -0.13 117.35 122.98 2nnb s TYR 51 Ca 0.01 1.29 -0.02 0.00 -1.01 0.00 0.00 57.07 57.34 2nnb s TYR 51 Cb -0.14 -3.09 -0.03 0.00 -0.11 0.00 0.00 41.96 38.60 2nnb s TYR 51 CO -0.07 -0.33 -0.03 -0.51 -1.11 0.00 0.00 175.55 173.50 2nnb s LEU 52 N 2.53 3.37 0.00 -1.29 1.02 0.74 -1.98 118.68 123.07 2nnb s LEU 52 Ca 0.39 0.02 0.00 0.00 0.02 0.00 0.00 54.13 54.56 2nnb s LEU 52 Cb -0.16 -1.77 0.00 0.00 0.02 0.00 0.00 46.19 44.28 2nnb s LEU 52 CO 0.10 0.31 0.00 -1.20 0.02 0.00 0.00 176.35 175.59 2nnb n SER 53 N 2.57 1.81 -4.83 2.29 7.64 -0.57 -1.60 113.62 120.92 2nnb n SER 53 Ca -0.18 -0.06 -0.33 0.00 1.01 0.00 0.00 58.87 59.31 2nnb n SER 53 Cb 0.53 0.48 -0.06 0.00 -1.01 0.00 0.00 64.21 64.15 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 -0.84 5.96 0.32 6.43 1.04 -1.26 -2.72 113.70 122.64 2nnb s SER 54 Ca 0.00 0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.69 2nnb s SER 54 Cb 0.00 -1.78 0.60 0.00 0.10 0.00 0.00 66.02 64.93 2nnb s SER 54 CO 0.00 0.28 1.94 -0.61 0.98 0.00 0.00 173.24 175.82 2nnb h GLN 55 N 4.05 0.91 -0.44 4.02 -0.00 -1.90 -1.43 115.11 120.32 2nnb h GLN 55 Ca -0.49 -0.05 0.07 0.00 -0.00 0.00 0.00 58.65 58.17 2nnb h GLN 55 Cb 1.19 -0.21 -0.06 0.00 0.00 0.00 0.00 27.48 28.40 2nnb h GLN 55 CO 0.64 0.60 0.10 -0.09 0.00 0.00 0.00 178.83 180.08 2nnb h ARG 56 N 0.94 0.23 0.24 1.69 2.43 -1.95 0.00 114.38 117.95 2nnb h ARG 56 Ca 0.35 -0.01 -0.33 0.00 -0.81 0.00 0.00 59.98 59.17 2nnb h ARG 56 Cb 0.18 -0.05 0.03 0.00 -0.42 0.00 0.00 29.97 29.71 2nnb h ARG 56 CO -0.12 0.15 -1.47 -0.07 -1.51 0.00 0.00 179.97 176.95 2nnb h LEU 57 N 0.23 0.79 -1.40 3.80 3.38 -1.90 -3.33 115.31 116.89 2nnb h LEU 57 Ca 0.22 -0.86 -0.03 0.00 0.09 0.00 0.00 57.88 57.29 2nnb h LEU 57 Cb 0.27 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2nnb h LEU 57 CO -0.28 1.67 0.02 0.40 0.09 0.00 0.00 178.44 180.35 2nnb h ILE 58 N 0.14 1.16 -0.39 1.22 2.04 -1.04 -0.40 117.51 120.24 2nnb h ILE 58 Ca -0.25 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 2nnb h ILE 58 Cb 2.15 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 39.13 2nnb h ILE 58 CO 0.27 0.21 0.17 0.07 0.00 0.00 0.00 178.15 178.87 2nnb h LYS 59 N 0.41 0.54 -0.16 2.37 -0.00 -1.10 0.20 116.57 118.82 2nnb h LYS 59 Ca 0.09 -0.06 -0.20 0.00 -0.00 0.00 0.00 60.65 60.48 2nnb h LYS 59 Cb 0.24 -0.11 0.01 0.00 -0.00 0.00 0.00 32.23 32.37 2nnb h LYS 59 CO 0.00 0.43 -0.68 0.93 -0.00 0.00 0.00 179.45 180.13 2nnb h GLU 60 N 0.54 0.75 0.00 0.07 5.08 -1.39 -2.82 114.58 116.81 2nnb h GLU 60 Ca 0.14 -0.59 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 2nnb h GLU 60 Cb 0.08 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2nnb h GLU 60 CO -0.02 1.20 -0.10 0.00 -1.00 0.00 0.00 179.01 179.09 2nnb h ALA 61 N 0.55 1.54 -0.13 3.43 0.00 0.64 -1.55 119.26 123.74 2nnb h ALA 61 Ca -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2nnb h ALA 61 Cb 1.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2nnb h ALA 61 CO 0.14 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.52 2nnb s ASP 63 N -1.32 6.72 0.10 0.00 -1.08 -0.58 -4.90 116.67 115.61 2nnb s ASP 63 Ca 0.22 0.64 0.23 0.00 -0.52 0.00 0.00 52.55 53.12 2nnb s ASP 63 Cb 0.11 -2.53 0.92 0.00 -1.46 0.00 0.00 42.92 39.96 2nnb s ASP 63 CO 0.17 -1.09 1.72 -0.62 0.52 0.00 0.00 175.17 175.88 2nnb n GLU 64 N 7.40 0.10 0.22 4.34 1.02 -1.26 -1.46 120.64 130.99 2nnb n GLU 64 Ca 0.11 0.20 0.14 0.00 -0.02 0.00 0.00 57.16 57.60 2nnb n GLU 64 Cb 0.48 -1.65 0.45 0.00 -0.02 0.00 0.00 31.44 30.70 2nnb n GLU 64 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2nnb h SER 65 N 0.00 0.00 0.00 1.62 4.64 -1.97 -3.36 113.55 114.47 2nnb h SER 65 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 2nnb h SER 65 Cb 0.46 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 2nnb h SER 65 CO 0.00 0.00 -1.65 0.54 -0.87 0.00 0.00 176.83 174.85 2nnb n ARG 66 N -2.90 2.12 -3.95 4.77 1.74 -0.73 -4.89 116.66 112.81 2nnb n ARG 66 Ca 0.03 0.01 -0.10 0.00 -0.77 0.00 0.00 57.85 57.02 2nnb n ARG 66 Cb 0.39 -1.24 -0.11 0.00 -1.02 0.00 0.00 32.46 30.48 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 -2.23 0.19 0.23 -1.55 0.08 -0.54 -1.22 117.98 112.95 2nnb s PHE 67 Ca -0.07 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 56.62 2nnb s PHE 67 Cb 0.03 -0.14 -0.05 0.00 -0.57 0.00 0.00 43.02 42.28 2nnb s PHE 67 CO 0.37 -0.16 0.00 0.34 -0.10 0.00 0.00 175.22 175.67 2nnb s ASP 68 N -1.18 1.79 0.26 1.36 2.15 -0.73 -4.21 116.67 116.11 2nnb s ASP 68 Ca -0.13 -1.23 -0.30 0.00 0.43 0.00 0.00 52.55 51.32 2nnb s ASP 68 Cb -0.08 0.02 -0.11 0.00 -0.30 0.00 0.00 42.92 42.45 2nnb s ASP 68 CO -0.01 -0.53 1.56 -0.75 -0.17 0.00 0.00 175.17 175.27 2nnb s LYS 69 N -3.87 4.17 -0.01 4.34 2.20 -1.26 -1.11 119.74 124.20 2nnb s LYS 69 Ca 0.29 2.48 -0.02 0.00 -0.36 0.00 0.00 55.97 58.35 2nnb s LYS 69 Cb 0.06 -3.06 -0.04 0.00 -1.51 0.00 0.00 37.83 33.27 2nnb s LYS 69 CO 0.09 -0.58 0.15 1.21 -0.36 0.00 0.00 175.35 175.86 2nnb s ASN 70 N 0.56 6.14 -0.61 1.43 2.47 0.46 -4.67 114.94 120.73 2nnb s ASN 70 Ca 0.64 0.29 -0.25 0.00 0.42 0.00 0.00 52.86 53.95 2nnb s ASN 70 Cb -0.46 -1.88 0.04 0.00 -1.45 0.00 0.00 41.25 37.51 2nnb s ASN 70 CO 0.44 0.27 1.03 -0.76 -3.72 0.00 0.00 177.10 174.36 2nnb s LEU 71 N -1.84 3.93 1.14 3.21 1.43 -1.26 -4.54 118.68 120.76 2nnb s LEU 71 Ca 0.25 -0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 52.76 2nnb s LEU 71 Cb -0.12 -2.74 0.26 0.00 0.03 0.00 0.00 46.19 43.62 2nnb s LEU 71 CO 0.17 -1.41 1.05 -0.94 0.23 0.00 0.00 176.35 175.45 2nnb s SER 72 N 3.19 1.32 0.25 2.29 1.04 -1.26 -4.74 113.70 115.78 2nnb s SER 72 Ca 0.31 1.17 -0.04 0.00 0.48 0.00 0.00 55.95 57.87 2nnb s SER 72 Cb -0.12 -1.80 0.36 0.00 0.10 0.00 0.00 66.02 64.55 2nnb s SER 72 CO 0.17 -3.94 1.86 -0.61 0.98 0.00 0.00 173.24 171.70 2nnb h GLN 73 N -2.45 1.02 -0.61 4.02 5.75 -1.99 -1.66 115.11 119.19 2nnb h GLN 73 Ca -0.56 -0.06 0.08 0.00 -0.15 0.00 0.00 58.65 57.96 2nnb h GLN 73 Cb 1.33 -0.23 -0.06 0.00 1.07 0.00 0.00 27.48 29.59 2nnb h GLN 73 CO 0.49 0.67 0.28 0.00 -2.65 0.00 0.00 178.83 177.63 2nnb h ALA 74 N 1.42 0.80 -0.25 3.38 0.00 -1.93 -1.04 119.26 121.64 2nnb h ALA 74 Ca 0.39 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.21 2nnb h ALA 74 Cb 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2nnb h ALA 74 CO -0.17 -0.10 -0.43 -0.07 0.00 0.00 0.00 179.25 178.48 2nnb h LEU 75 N 0.51 0.66 -1.11 0.00 4.07 -1.74 -1.17 115.31 116.51 2nnb h LEU 75 Ca 0.29 -0.30 -0.08 0.00 0.08 0.00 0.00 57.88 57.87 2nnb h LEU 75 Cb 0.28 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 2nnb h LEU 75 CO -0.24 1.00 -0.22 0.11 -1.08 0.00 0.00 178.44 178.00 2nnb h LYS 76 N 0.50 0.35 -0.40 1.13 1.57 -0.99 -0.34 116.57 118.39 2nnb h LYS 76 Ca 0.04 -0.12 -0.14 0.00 -1.87 0.00 0.00 60.65 58.56 2nnb h LYS 76 Cb 0.95 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 2nnb h LYS 76 CO 0.09 0.56 -0.29 0.74 -0.57 0.00 0.00 179.45 179.97 2nnb h PHE 77 N 0.32 1.08 -0.48 -1.35 0.04 -0.85 -3.07 116.94 112.63 2nnb h PHE 77 Ca 0.05 -0.30 -0.03 0.00 2.80 0.00 0.00 57.97 60.50 2nnb h PHE 77 Cb 0.57 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 2nnb h PHE 77 CO 0.01 1.11 0.18 0.28 -0.60 0.00 0.00 178.31 179.29 2nnb h VAL 78 N 0.74 1.18 -0.59 -0.55 2.07 -1.04 -2.66 116.25 115.40 2nnb h VAL 78 Ca 0.08 -0.57 0.17 0.00 0.82 0.00 0.00 66.70 67.20 2nnb h VAL 78 Cb 0.88 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 2nnb h VAL 78 CO 0.08 0.22 0.48 -0.09 0.02 0.00 0.00 177.57 178.28 2nnb h ARG 79 N 0.68 0.00 -0.05 1.57 2.43 -0.95 0.18 114.38 118.23 2nnb h ARG 79 Ca 0.16 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.35 2nnb h ARG 79 Cb 0.15 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2nnb h ARG 79 CO -0.01 0.00 0.09 -0.44 -1.51 0.00 0.00 179.97 178.09 2nnb h ASP 80 N 0.00 0.00 0.00 -3.80 3.32 -1.56 0.14 116.42 114.53 2nnb h ASP 80 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 2nnb h ASP 80 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2nnb h ASP 80 CO -0.00 0.00 -0.98 2.22 -1.72 0.00 0.00 179.24 178.76 2nnb n PHE 81 N -3.57 0.00 0.94 4.55 1.16 -0.42 -4.73 117.46 115.39 2nnb n PHE 81 Ca -0.02 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.69 2nnb n PHE 81 Cb 0.17 0.00 0.38 0.00 -1.61 0.00 0.00 39.48 38.43 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 -1.64 2.98 -0.89 1.98 0.00 0.49 -4.92 120.51 118.50 2nnb n ALA 82 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2nnb n ALA 82 Cb 0.17 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 1.47 2.39 2.25 0.00 0.00 0.49 -2.12 105.19 109.68 2nnb n GLY 83 Ca 0.06 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.23 7.39 -3.70 1.61 5.75 -1.26 -4.55 116.55 121.56 2nnb n ASP 84 Ca 0.00 -3.65 -0.30 0.00 -0.01 0.00 0.00 54.79 50.82 2nnb n ASP 84 Cb 0.00 -0.99 0.25 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 -1.46 1.55 0.33 6.12 0.00 -0.90 -4.65 107.32 108.32 2nnb s GLY 85 Ca 0.59 -0.96 0.06 0.00 0.00 0.00 0.00 44.72 44.41 2nnb s GLY 85 CO -0.01 -0.03 1.84 1.41 0.00 0.00 0.00 173.10 176.31 2nnb h LEU 86 N -2.77 0.39 -0.53 0.66 3.38 -1.90 -2.85 115.31 111.69 2nnb h LEU 86 Ca -0.44 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.29 2nnb h LEU 86 Cb 1.30 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 2nnb h LEU 86 CO 0.32 0.55 -0.67 0.15 0.09 0.00 0.00 178.44 178.88 2nnb h PHE 87 N 0.38 0.00 -0.13 1.13 3.57 -1.93 -3.30 116.94 116.66 2nnb h PHE 87 Ca 0.07 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2nnb h PHE 87 Cb 0.46 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.20 2nnb h PHE 87 CO 0.01 0.67 0.00 0.25 -2.23 0.00 0.00 178.31 177.01 2nnb n THR 88 N -3.59 1.73 -3.96 4.41 -2.24 -1.14 -5.01 114.28 104.48 2nnb n THR 88 Ca -0.00 -1.74 -0.33 0.00 -2.27 0.00 0.00 64.05 59.70 2nnb n THR 88 Cb 0.69 -0.01 -0.05 0.00 -2.10 0.00 0.00 70.33 68.86 2nnb n THR 88 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2nnb s SER 89 N -1.98 6.16 0.49 3.42 0.01 -1.09 -4.84 113.70 115.87 2nnb s SER 89 Ca 0.28 0.27 -0.21 0.00 1.31 0.00 0.00 55.95 57.61 2nnb s SER 89 Cb 0.23 -1.88 -0.07 0.00 0.21 0.00 0.00 66.02 64.50 2nnb s SER 89 CO 0.06 0.25 1.11 0.26 0.41 0.00 0.00 173.24 175.33 2nnb s TRP 90 N -1.31 2.87 0.48 2.43 0.52 -1.26 -4.92 118.94 117.74 2nnb s TRP 90 Ca 0.27 1.56 0.18 0.00 0.02 0.00 0.00 56.10 58.13 2nnb s TRP 90 Cb -0.12 -3.24 1.18 0.00 -1.15 0.00 0.00 33.47 30.13 2nnb s TRP 90 CO 0.18 -1.27 2.00 1.15 0.02 0.00 0.00 176.95 179.03 2nnb h THR 91 N 1.57 0.85 -0.00 2.01 2.02 -1.97 -1.77 112.91 115.62 2nnb h THR 91 Ca -0.50 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 66.61 2nnb h THR 91 Cb 1.24 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 2nnb h THR 91 CO 0.59 0.04 -0.07 0.00 0.37 0.00 0.00 175.52 176.45 2nnb n HIS 92 N -4.45 0.00 -2.47 3.16 -0.00 -1.26 -4.50 115.22 105.70 2nnb n HIS 92 Ca 0.09 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.39 2nnb n HIS 92 Cb 0.43 -0.14 -0.03 0.00 -0.00 0.00 0.00 29.99 30.25 2nnb n HIS 92 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2nnb s GLU 93 N -2.35 4.46 0.26 -1.40 2.02 -0.67 -4.93 118.70 116.10 2nnb s GLU 93 Ca 0.33 1.71 -0.05 0.00 0.02 0.00 0.00 54.97 56.98 2nnb s GLU 93 Cb 0.20 -3.36 0.51 0.00 0.10 0.00 0.00 34.13 31.58 2nnb s GLU 93 CO 0.44 -0.20 1.61 -0.22 0.02 0.00 0.00 175.26 176.91 2nnb h LYS 94 N 6.68 0.06 0.00 1.61 3.64 -1.88 -0.13 116.57 126.55 2nnb h LYS 94 Ca -0.42 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2nnb h LYS 94 Cb 1.21 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2nnb h LYS 94 CO 0.80 0.04 -0.02 -0.91 -2.27 0.00 0.00 179.45 177.09 2nnb h ASN 95 N 0.06 0.00 0.36 4.20 -0.26 -1.91 -1.72 115.58 116.31 2nnb h ASN 95 Ca 0.46 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 56.18 2nnb h ASN 95 Cb 0.83 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.10 2nnb h ASN 95 CO -0.78 0.02 -0.17 -0.25 -1.06 0.00 0.00 177.43 175.19 2nnb h TRP 96 N 0.00 -0.45 -0.56 1.19 7.01 -1.28 -2.28 115.95 119.58 2nnb h TRP 96 Ca -0.00 -0.01 -0.05 0.00 2.11 0.00 0.00 58.89 60.93 2nnb h TRP 96 Cb 0.52 0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.71 2nnb h TRP 96 CO 0.00 -0.14 0.14 -0.22 -2.79 0.00 0.00 178.44 175.43 2nnb h LYS 97 N -0.76 0.90 0.17 2.65 1.63 -1.42 0.82 116.57 120.55 2nnb h LYS 97 Ca -0.05 -0.22 0.01 0.00 -0.85 0.00 0.00 60.65 59.54 2nnb h LYS 97 Cb 0.51 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.00 2nnb h LYS 97 CO 0.08 0.84 -0.20 0.87 -3.45 0.00 0.00 179.45 177.59 2nnb h LYS 98 N 0.80 -0.40 -0.39 1.90 1.57 -1.39 -0.48 116.57 118.19 2nnb h LYS 98 Ca 0.18 0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.88 2nnb h LYS 98 Cb 0.34 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 2nnb h LYS 98 CO 0.00 -0.26 -0.19 0.00 -0.57 0.00 0.00 179.45 178.43 2nnb h ALA 99 N 0.36 0.93 0.09 3.86 0.00 -1.22 -0.98 119.26 122.29 2nnb h ALA 99 Ca 0.01 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 2nnb h ALA 99 Cb 0.40 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2nnb h ALA 99 CO -0.07 0.62 -0.05 1.25 0.00 0.00 0.00 179.25 180.99 2nnb h HIS 100 N 0.66 -0.13 -0.60 0.00 -0.00 -0.68 0.26 115.15 114.66 2nnb h HIS 100 Ca 0.10 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.44 2nnb h HIS 100 Cb 0.69 0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 28.12 2nnb h HIS 100 CO 0.03 -0.08 0.28 -0.91 -0.00 0.00 0.00 177.93 177.25 2nnb h ASN 101 N -0.14 0.79 -0.22 3.26 2.35 -0.81 -1.01 115.58 119.80 2nnb h ASN 101 Ca -0.01 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.58 2nnb h ASN 101 Cb 0.11 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 2nnb h ASN 101 CO 0.01 0.71 0.04 0.40 -1.65 0.00 0.00 177.43 176.94 2nnb h ILE 102 N 0.82 1.23 0.00 2.81 2.04 -0.99 -3.34 117.51 120.08 2nnb h ILE 102 Ca 0.20 -0.75 -0.10 0.00 1.00 0.00 0.00 64.86 65.22 2nnb h ILE 102 Cb 0.14 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2nnb h ILE 102 CO -0.02 0.23 -0.67 -0.07 0.00 0.00 0.00 178.15 177.62 2nnb h LEU 103 N 0.17 0.00 -0.35 1.44 -0.00 -0.34 -3.39 115.31 112.84 2nnb h LEU 103 Ca 0.07 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 58.01 2nnb h LEU 103 Cb 0.32 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.92 2nnb h LEU 103 CO 0.00 0.41 0.01 0.25 -0.00 0.00 0.00 178.44 179.11 2nnb h LEU 104 N 0.00 -0.13 -1.27 1.67 6.46 -1.30 -0.60 115.31 120.14 2nnb h LEU 104 Ca -0.04 0.08 -0.07 0.00 -0.12 0.00 0.00 57.88 57.73 2nnb h LEU 104 Cb 1.34 0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 41.40 2nnb h LEU 104 CO 0.05 -0.03 -0.34 1.55 -0.62 0.00 0.00 178.44 179.05 2nnb h PRO 105 N 0.11 0.00 0.00 5.25 0.13 -1.81 -1.77 132.00 133.91 2nnb h PRO 105 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2nnb h PRO 105 Cb 0.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.36 2nnb h PRO 105 CO -0.28 0.34 0.00 0.43 -0.23 0.00 0.00 178.00 178.26 2nnb n SER 106 N -3.87 0.00 -0.27 1.44 7.64 -0.26 -2.45 113.62 115.85 2nnb n SER 106 Ca -0.01 0.09 0.03 0.00 1.01 0.00 0.00 58.87 59.99 2nnb n SER 106 Cb 0.41 -0.27 0.03 0.00 -1.01 0.00 0.00 64.21 63.37 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 -1.27 0.00 -0.78 1.43 3.72 -0.69 -4.83 117.46 115.04 2nnb n PHE 107 Ca 0.06 -0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.16 2nnb n PHE 107 Cb 0.09 -0.00 0.19 0.00 -0.94 0.00 0.00 39.48 38.82 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 -0.55 2.41 0.26 4.37 1.04 -1.02 -4.51 113.70 115.68 2nnb s SER 108 Ca 0.08 1.77 -0.03 0.00 0.48 0.00 0.00 55.95 58.26 2nnb s SER 108 Cb 0.06 -2.38 0.44 0.00 0.10 0.00 0.00 66.02 64.24 2nnb s SER 108 CO 0.08 -3.35 1.82 -0.61 0.98 0.00 0.00 173.24 172.16 2nnb h GLN 109 N -2.04 0.85 -0.91 4.02 5.75 -1.94 -1.49 115.11 119.35 2nnb h GLN 109 Ca -0.51 -0.05 0.07 0.00 -0.15 0.00 0.00 58.65 58.00 2nnb h GLN 109 Cb 1.29 -0.19 -0.06 0.00 1.07 0.00 0.00 27.48 29.59 2nnb h GLN 109 CO 0.48 0.56 0.59 1.96 -2.65 0.00 0.00 178.83 179.77 2nnb h GLN 110 N 0.87 1.00 0.00 1.69 1.08 -1.91 -1.99 115.11 115.85 2nnb h GLN 110 Ca 0.43 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.55 2nnb h GLN 110 Cb 0.39 -0.23 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2nnb h GLN 110 CO -0.25 0.66 -0.08 0.00 -0.95 0.00 0.00 178.83 178.21 2nnb h ALA 111 N 1.51 1.29 0.00 3.87 0.00 -1.50 -1.81 119.26 122.61 2nnb h ALA 111 Ca 0.39 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2nnb h ALA 111 Cb 0.20 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2nnb h ALA 111 CO -0.15 0.10 -0.08 0.52 0.00 0.00 0.00 179.25 179.64 2nnb h MET 112 N 0.00 0.00 -0.82 0.00 2.86 -1.14 -1.02 114.93 114.80 2nnb h MET 112 Ca -0.00 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 2nnb h MET 112 Cb 0.25 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.86 2nnb h MET 112 CO 0.01 0.08 0.53 0.87 1.06 0.00 0.00 176.91 179.46 2nnb h LYS 113 N 0.00 0.99 0.00 1.72 1.57 -1.45 -1.20 116.57 118.20 2nnb h LYS 113 Ca -0.00 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2nnb h LYS 113 Cb 0.20 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 2nnb h LYS 113 CO 0.01 0.65 -0.01 0.78 -0.57 0.00 0.00 179.45 180.31 2nnb h GLY 114 N 1.02 0.00 1.01 3.86 0.00 -1.36 -3.21 103.07 104.39 2nnb h GLY 114 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 2nnb h GLY 114 CO -0.12 0.00 -0.62 -1.72 0.00 0.00 0.00 176.54 174.08 2nnb n TYR 115 N -3.11 0.25 -0.06 5.60 4.01 -0.91 -4.57 117.16 118.37 2nnb n TYR 115 Ca 0.02 0.07 -0.08 0.00 -0.16 0.00 0.00 57.90 57.75 2nnb n TYR 115 Cb 0.41 -0.43 -0.01 0.00 -0.31 0.00 0.00 39.34 38.99 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 0.03 -0.71 -0.72 2.76 -1.23 -0.87 115.15 114.41 2nnb h HIS 116 Ca 0.00 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.23 2nnb h HIS 116 Cb 0.62 0.02 -0.05 0.00 1.55 0.00 0.00 27.41 29.56 2nnb h HIS 116 CO 0.00 -0.01 0.43 0.00 -1.30 0.00 0.00 177.93 177.05 2nnb h ALA 117 N 1.20 0.94 -0.18 5.26 0.00 -1.80 0.21 119.26 124.89 2nnb h ALA 117 Ca 0.12 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 2nnb h ALA 117 Cb 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2nnb h ALA 117 CO -0.18 0.18 -0.47 0.52 0.00 0.00 0.00 179.25 179.30 2nnb h MET 118 N 0.82 0.46 -0.39 0.00 2.07 -1.75 -1.01 114.93 115.13 2nnb h MET 118 Ca 0.30 -0.26 0.05 0.00 -2.07 0.00 0.00 59.70 57.72 2nnb h MET 118 Cb 0.08 0.02 -0.04 0.00 -1.87 0.00 0.00 31.60 29.78 2nnb h MET 118 CO -0.14 0.84 0.13 0.52 1.07 0.00 0.00 176.91 179.33 2nnb h MET 119 N 0.37 0.28 -1.00 1.72 2.86 -0.31 -2.61 114.93 116.24 2nnb h MET 119 Ca 0.02 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.67 2nnb h MET 119 Cb 0.97 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.51 2nnb h MET 119 CO 0.08 0.19 0.66 0.28 1.06 0.00 0.00 176.91 179.18 2nnb h VAL 120 N 0.29 1.22 -0.23 -2.22 2.07 -0.26 -1.32 116.25 115.79 2nnb h VAL 120 Ca 0.18 -0.45 0.06 0.00 0.82 0.00 0.00 66.70 67.31 2nnb h VAL 120 Cb 0.16 -0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 29.65 2nnb h VAL 120 CO -0.19 0.24 -0.30 -0.78 0.02 0.00 0.00 177.57 176.56 2nnb h ASP 121 N 1.31 -0.95 0.19 0.57 1.82 -0.81 0.14 116.42 118.69 2nnb h ASP 121 Ca 0.38 0.16 -0.12 0.00 -0.39 0.00 0.00 57.03 57.06 2nnb h ASP 121 Cb -0.08 0.43 -0.01 0.00 0.68 0.00 0.00 39.33 40.35 2nnb h ASP 121 CO -0.10 -0.33 -0.43 0.40 -1.61 0.00 0.00 179.24 177.17 2nnb h ILE 122 N -0.32 1.32 -0.50 2.25 1.08 -1.39 -2.53 117.51 117.41 2nnb h ILE 122 Ca 0.13 -1.57 -0.11 0.00 -0.39 0.00 0.00 64.86 62.91 2nnb h ILE 122 Cb 0.52 1.69 -0.02 0.00 -3.07 0.00 0.00 36.82 35.94 2nnb h ILE 122 CO -0.41 0.48 -0.13 0.00 -0.69 0.00 0.00 178.15 177.39 2nnb h ALA 123 N 1.30 0.82 -0.58 1.87 0.00 -0.38 -0.82 119.26 121.46 2nnb h ALA 123 Ca 0.02 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 2nnb h ALA 123 Cb 0.86 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2nnb h ALA 123 CO 0.07 0.65 0.07 0.28 0.00 0.00 0.00 179.25 180.32 2nnb h VAL 124 N 0.84 1.25 -0.79 0.00 2.07 -0.68 -1.56 116.25 117.37 2nnb h VAL 124 Ca 0.13 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 2nnb h VAL 124 Cb 0.68 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 2nnb h VAL 124 CO 0.05 0.37 0.43 1.56 0.02 0.00 0.00 177.57 180.00 2nnb h GLN 125 N 0.89 1.11 -0.36 1.57 4.20 -0.84 0.13 115.11 121.81 2nnb h GLN 125 Ca 0.18 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 2nnb h GLN 125 Cb 0.43 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 2nnb h GLN 125 CO 0.01 0.82 0.19 1.25 -0.67 0.00 0.00 178.83 180.44 2nnb h LEU 126 N 1.10 0.45 -0.55 1.46 7.12 -0.69 -0.90 115.31 123.30 2nnb h LEU 126 Ca 0.28 -0.09 -0.13 0.00 0.13 0.00 0.00 57.88 58.06 2nnb h LEU 126 Cb 0.04 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.04 2nnb h LEU 126 CO -0.04 0.41 -0.28 0.58 -0.13 0.00 0.00 178.44 178.97 2nnb h VAL 127 N 0.45 1.27 -0.60 1.05 2.07 -0.89 -2.09 116.25 117.52 2nnb h VAL 127 Ca 0.13 -1.44 -0.06 0.00 0.82 0.00 0.00 66.70 66.15 2nnb h VAL 127 Cb 0.06 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2nnb h VAL 127 CO -0.02 0.48 0.15 1.56 0.02 0.00 0.00 177.57 179.76 2nnb h GLN 128 N 0.73 0.95 -0.31 1.57 7.50 -0.86 0.16 115.11 124.86 2nnb h GLN 128 Ca 0.08 -0.23 0.07 0.00 0.50 0.00 0.00 58.65 59.08 2nnb h GLN 128 Cb 0.84 -0.13 -0.07 0.00 0.05 0.00 0.00 27.48 28.17 2nnb h GLN 128 CO 0.07 0.87 -0.18 -0.22 -1.50 0.00 0.00 178.83 177.88 2nnb h LYS 129 N 0.86 -0.14 -0.21 1.46 3.64 -0.80 -1.99 116.57 119.40 2nnb h LYS 129 Ca 0.19 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.48 2nnb h LYS 129 Cb 0.35 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2nnb h LYS 129 CO 0.00 -0.09 -0.27 -1.49 -2.27 0.00 0.00 179.45 175.33 2nnb h TRP 130 N -0.14 0.45 0.00 1.91 6.55 -0.75 -0.82 115.95 123.14 2nnb h TRP 130 Ca 0.16 -0.10 -0.01 0.00 0.95 0.00 0.00 58.89 59.90 2nnb h TRP 130 Cb 0.38 -0.11 -0.00 0.00 -0.86 0.00 0.00 29.16 28.57 2nnb h TRP 130 CO -0.37 0.64 -0.04 0.93 -1.05 0.00 0.00 178.44 178.55 2nnb h GLU 131 N 0.36 0.00 -0.02 0.49 4.39 -0.29 -2.93 114.58 116.57 2nnb h GLU 131 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2nnb h GLU 131 Cb 0.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 2nnb h GLU 131 CO 0.05 0.04 -0.10 0.54 -1.16 0.00 0.00 179.01 178.37 2nnb n ARG 132 N -3.86 1.91 -2.18 2.33 1.74 -0.34 -4.90 116.66 111.35 2nnb n ARG 132 Ca -0.03 -1.49 -0.40 0.00 -0.77 0.00 0.00 57.85 55.16 2nnb n ARG 132 Cb 0.13 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.07 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 -2.12 4.39 0.79 0.55 1.02 -1.04 -5.03 118.68 117.24 2nnb s LEU 133 Ca 0.28 2.58 -0.11 0.00 0.02 0.00 0.00 54.13 56.89 2nnb s LEU 133 Cb 0.20 -3.73 0.07 0.00 0.02 0.00 0.00 46.19 42.74 2nnb s LEU 133 CO 0.37 -0.54 1.09 0.20 0.02 0.00 0.00 176.35 177.49 2nnb s ASN 134 N -0.67 4.51 0.31 2.29 0.01 -1.26 -4.97 114.94 115.16 2nnb s ASN 134 Ca 0.50 1.43 0.02 0.00 -0.71 0.00 0.00 52.86 54.11 2nnb s ASN 134 Cb -0.37 -2.18 0.76 0.00 0.41 0.00 0.00 41.25 39.87 2nnb s ASN 134 CO 0.49 -1.98 1.58 0.00 -1.51 0.00 0.00 177.10 175.68 2nnb h ALA 135 N -1.09 1.20 -0.21 0.60 0.00 -1.98 -2.31 119.26 115.47 2nnb h ALA 135 Ca -0.46 0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 2nnb h ALA 135 Cb 1.26 0.56 -0.06 0.00 0.00 0.00 0.00 17.79 19.55 2nnb h ALA 135 CO 0.57 -0.58 0.15 -0.40 0.00 0.00 0.00 179.25 179.00 2nnb n ASP 136 N -5.46 4.07 -4.15 0.00 5.68 -1.26 -4.85 116.55 110.58 2nnb n ASP 136 Ca 0.23 -2.45 -0.15 0.00 -0.50 0.00 0.00 54.79 51.92 2nnb n ASP 136 Cb 0.76 -0.75 -0.11 0.00 -1.14 0.00 0.00 41.12 39.88 2nnb n ASP 136 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2nnb s GLU 137 N -0.71 0.77 0.44 0.11 2.02 -0.87 -5.15 118.70 115.30 2nnb s GLU 137 Ca 0.12 -1.04 0.03 0.00 0.02 0.00 0.00 54.97 54.11 2nnb s GLU 137 Cb 0.10 -0.51 -0.02 0.00 0.10 0.00 0.00 34.13 33.80 2nnb s GLU 137 CO 0.01 0.09 0.12 -3.38 0.02 0.00 0.00 175.26 172.12 2nnb s HIS 138 N -2.04 1.78 -0.08 1.61 -3.43 -1.26 -4.77 115.29 107.09 2nnb s HIS 138 Ca 0.01 -1.28 0.03 0.00 -0.80 0.00 0.00 55.06 53.02 2nnb s HIS 138 Cb -0.05 -1.21 -0.01 0.00 -1.43 0.00 0.00 32.58 29.87 2nnb s HIS 138 CO 0.00 -0.26 -0.18 0.42 -2.00 0.00 0.00 174.74 172.73 2nnb s ILE 139 N -3.14 2.66 -0.48 -5.38 1.01 0.44 -4.97 121.20 111.34 2nnb s ILE 139 Ca 0.19 -0.83 -0.20 0.00 0.00 0.00 0.00 60.65 59.81 2nnb s ILE 139 Cb 0.02 -2.05 0.04 0.00 0.01 0.00 0.00 42.46 40.48 2nnb s ILE 139 CO 0.13 0.56 0.66 -1.61 0.00 0.00 0.00 174.94 174.67 2nnb s GLU 140 N -0.08 3.20 -0.05 2.79 2.02 -1.26 -2.15 118.70 123.16 2nnb s GLU 140 Ca -0.04 -0.63 -0.17 0.00 0.02 0.00 0.00 54.97 54.15 2nnb s GLU 140 Cb -0.14 -4.03 -0.12 0.00 0.10 0.00 0.00 34.13 29.94 2nnb s GLU 140 CO 0.04 -1.15 0.69 0.28 0.02 0.00 0.00 175.26 175.13 2nnb h VAL 141 N 5.88 0.50 -0.27 2.63 2.07 -1.70 -0.78 116.25 124.58 2nnb h VAL 141 Ca -0.27 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 2nnb h VAL 141 Cb 1.09 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2nnb h VAL 141 CO 0.94 0.13 0.15 1.55 0.02 0.00 0.00 177.57 180.37 2nnb h PRO 142 N -0.98 0.36 -0.16 1.57 0.13 -1.86 0.11 132.00 131.17 2nnb h PRO 142 Ca -0.03 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 2nnb h PRO 142 Cb 0.45 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 2nnb h PRO 142 CO 0.05 0.26 0.04 0.93 -0.23 0.00 0.00 178.00 179.06 2nnb h GLU 143 N 0.37 0.25 -0.13 0.86 3.07 -1.90 -0.01 114.58 117.08 2nnb h GLU 143 Ca 0.10 -0.06 -0.13 0.00 -0.50 0.00 0.00 59.36 58.77 2nnb h GLU 143 Cb 0.01 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 2nnb h GLU 143 CO -0.02 0.39 -0.46 -0.44 -1.40 0.00 0.00 179.01 177.08 2nnb h ASP 144 N 0.06 0.35 -0.23 1.42 3.32 -0.35 -2.21 116.42 118.79 2nnb h ASP 144 Ca 0.05 -0.17 -0.10 0.00 0.02 0.00 0.00 57.03 56.83 2nnb h ASP 144 Cb 0.25 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2nnb h ASP 144 CO -0.00 0.77 -0.21 0.24 -1.72 0.00 0.00 179.24 178.32 2nnb h MET 145 N 0.27 0.69 -0.23 3.56 2.86 -0.72 -1.07 114.93 120.29 2nnb h MET 145 Ca 0.02 -0.26 -0.16 0.00 -2.06 0.00 0.00 59.70 57.23 2nnb h MET 145 Cb 0.92 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 2nnb h MET 145 CO 0.08 0.84 -0.52 1.15 1.06 0.00 0.00 176.91 179.52 2nnb h THR 146 N 0.61 1.31 -0.36 2.22 2.02 -0.92 -0.69 112.91 117.09 2nnb h THR 146 Ca 0.09 -1.74 -0.01 0.00 0.77 0.00 0.00 66.41 65.52 2nnb h THR 146 Cb 0.68 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 2nnb h THR 146 CO 0.05 0.55 0.20 0.03 0.37 0.00 0.00 175.52 176.72 2nnb h ARG 147 N 0.51 0.49 0.14 6.66 3.08 -1.15 -0.78 114.38 123.33 2nnb h ARG 147 Ca 0.02 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.03 2nnb h ARG 147 Cb 1.08 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.99 2nnb h ARG 147 CO 0.10 0.40 -0.30 1.25 -1.07 0.00 0.00 179.97 180.35 2nnb h LEU 148 N 0.46 -0.86 -0.47 3.04 5.85 -1.06 -2.30 115.31 119.97 2nnb h LEU 148 Ca 0.13 0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.81 2nnb h LEU 148 Cb 0.04 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2nnb h LEU 148 CO -0.02 -0.39 -0.24 0.71 -0.34 0.00 0.00 178.44 178.16 2nnb h THR 149 N -0.53 1.27 -0.27 1.05 1.35 -1.01 0.28 112.91 115.05 2nnb h THR 149 Ca 0.03 -1.40 0.05 0.00 -0.55 0.00 0.00 66.41 64.53 2nnb h THR 149 Cb 0.55 1.17 -0.04 0.00 -1.73 0.00 0.00 68.15 68.10 2nnb h THR 149 CO -0.17 0.48 -0.01 -0.07 -0.25 0.00 0.00 175.52 175.51 2nnb h LEU 150 N 0.83 -0.12 -0.48 3.87 3.38 -1.17 -1.19 115.31 120.44 2nnb h LEU 150 Ca 0.10 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 2nnb h LEU 150 Cb 0.82 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2nnb h LEU 150 CO 0.07 -0.03 -0.11 0.44 0.09 0.00 0.00 178.44 178.90 2nnb h ASP 151 N 0.07 0.93 -0.60 -0.43 5.19 -1.21 0.10 116.42 120.48 2nnb h ASP 151 Ca 0.13 -0.36 -0.00 0.00 -0.62 0.00 0.00 57.03 56.17 2nnb h ASP 151 Cb 0.17 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.40 2nnb h ASP 151 CO -0.22 1.07 0.37 0.74 -3.12 0.00 0.00 179.24 178.08 2nnb h THR 152 N 0.77 1.17 -0.19 0.35 2.02 -0.77 -0.78 112.91 115.48 2nnb h THR 152 Ca 0.12 -0.38 -0.12 0.00 0.77 0.00 0.00 66.41 66.81 2nnb h THR 152 Cb 0.66 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 2nnb h THR 152 CO 0.05 0.18 -0.39 0.40 0.37 0.00 0.00 175.52 176.12 2nnb h ILE 153 N 0.81 1.30 -0.10 3.11 2.04 -1.07 0.11 117.51 123.70 2nnb h ILE 153 Ca 0.22 -1.53 -0.00 0.00 1.00 0.00 0.00 64.86 64.54 2nnb h ILE 153 Cb -0.03 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 2nnb h ILE 153 CO -0.04 0.47 0.05 1.23 0.00 0.00 0.00 178.15 179.87 2nnb h GLY 154 N 1.12 0.15 0.53 5.37 0.00 -0.58 0.77 103.07 110.43 2nnb h GLY 154 Ca 0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 2nnb h GLY 154 CO 0.07 0.07 -0.01 -2.00 0.00 0.00 0.00 176.54 174.67 2nnb h LEU 155 N 0.06 -0.03 -0.92 3.11 6.46 -0.90 -1.33 115.31 121.76 2nnb h LEU 155 Ca 0.04 -0.45 -0.10 0.00 -0.12 0.00 0.00 57.88 57.25 2nnb h LEU 155 Cb 0.09 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.01 2nnb h LEU 155 CO -0.01 0.44 -0.49 0.00 -0.62 0.00 0.00 178.44 177.76 2nnb h GLY 157 N 1.78 0.35 -1.90 0.00 0.00 0.54 -1.20 103.07 102.64 2nnb h GLY 157 Ca -0.00 -0.90 -0.09 0.00 0.00 0.00 0.00 47.33 46.34 2nnb h GLY 157 CO 0.06 0.79 -0.60 1.97 0.00 0.00 0.00 176.54 178.76 2nnb n PHE 158 N -4.05 0.00 -3.99 5.60 -1.74 -0.54 -0.77 117.46 111.97 2nnb n PHE 158 Ca -0.16 -0.26 -0.32 0.00 -0.56 0.00 0.00 57.45 56.15 2nnb n PHE 158 Cb 0.86 0.04 0.01 0.00 1.52 0.00 0.00 39.48 41.91 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 0.19 -4.25 -4.39 5.98 4.05 -0.02 -4.95 115.26 111.86 2nnb n ASN 159 Ca -0.02 -0.84 -0.32 0.00 0.45 0.00 0.00 54.58 53.84 2nnb n ASN 159 Cb 0.84 -3.58 -0.14 0.00 1.23 0.00 0.00 39.78 38.13 2nnb n ASN 159 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 2nnb s TYR 160 N -3.32 2.60 -0.40 1.20 5.04 -0.96 -4.92 117.35 116.58 2nnb s TYR 160 Ca 0.66 -0.37 -0.14 0.00 -2.44 0.00 0.00 57.07 54.78 2nnb s TYR 160 Cb -0.34 -1.63 0.03 0.00 0.35 0.00 0.00 41.96 40.37 2nnb s TYR 160 CO 0.86 0.02 0.28 1.03 -1.34 0.00 0.00 175.55 176.40 2nnb s ARG 161 N -0.47 2.92 0.33 4.97 0.52 -1.26 -2.85 118.95 123.10 2nnb s ARG 161 Ca 0.06 -1.06 0.26 0.00 -0.52 0.00 0.00 55.73 54.47 2nnb s ARG 161 Cb -0.12 -3.92 1.06 0.00 0.52 0.00 0.00 34.95 32.50 2nnb s ARG 161 CO 0.01 -0.76 1.78 0.74 0.02 0.00 0.00 175.30 177.10 2nnb h PHE 162 N 8.58 0.00 -6.51 -0.53 0.04 -1.92 -3.47 116.94 113.13 2nnb h PHE 162 Ca -0.27 0.00 -0.51 0.00 2.80 0.00 0.00 57.97 60.00 2nnb h PHE 162 Cb 1.11 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 39.17 2nnb h PHE 162 CO 0.56 0.00 -0.84 0.09 -0.60 0.00 0.00 178.31 177.52 2nnb n ASN 163 N -2.46 -2.26 0.27 2.17 3.02 -1.26 -4.43 115.26 110.31 2nnb n ASN 163 Ca 0.02 -0.95 0.12 0.00 -0.03 0.00 0.00 54.58 53.74 2nnb n ASN 163 Cb 0.26 -3.19 0.74 0.00 -0.61 0.00 0.00 39.78 36.97 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 -1.78 0.00 -0.00 6.41 0.02 -1.91 -1.87 113.55 114.42 2nnb h SER 164 Ca -0.61 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 2nnb h SER 164 Cb 1.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.92 2nnb h SER 164 CO 0.68 0.09 0.00 0.49 -1.14 0.00 0.00 176.83 176.95 2nnb n PHE 165 N -3.87 0.00 -0.02 3.45 3.72 -1.26 -2.94 117.46 116.54 2nnb n PHE 165 Ca -0.02 -0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.49 2nnb n PHE 165 Cb 0.19 0.00 0.26 0.00 -0.94 0.00 0.00 39.48 38.98 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 -0.77 0.70 -3.99 1.38 4.02 -0.70 -5.02 117.16 112.78 2nnb n TYR 166 Ca 0.23 -0.37 -0.10 0.00 -0.01 0.00 0.00 57.90 57.65 2nnb n TYR 166 Cb 0.16 -0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.36 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 -1.24 0.32 -0.11 -0.72 0.52 -1.15 -5.02 118.95 111.56 2nnb s ARG 167 Ca 0.42 -0.58 -0.04 0.00 -0.52 0.00 0.00 55.73 55.02 2nnb s ARG 167 Cb 0.23 0.03 -0.26 0.00 0.52 0.00 0.00 34.95 35.47 2nnb s ARG 167 CO 0.31 -0.03 0.41 -0.25 0.02 0.00 0.00 175.30 175.77 2nnb n ASP 168 N 1.72 1.93 -4.61 0.23 8.00 -1.26 -4.85 116.55 117.71 2nnb n ASP 168 Ca -0.23 0.24 -0.37 0.00 0.71 0.00 0.00 54.79 55.15 2nnb n ASP 168 Cb 0.55 -0.74 -0.10 0.00 -0.02 0.00 0.00 41.12 40.81 2nnb n ASP 168 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2nnb s GLN 169 N -2.56 3.97 0.87 -1.24 1.11 -1.26 -5.08 119.66 115.47 2nnb s GLN 169 Ca -0.20 -0.32 -0.10 0.00 0.01 0.00 0.00 55.36 54.75 2nnb s GLN 169 Cb 0.07 -3.51 0.12 0.00 -1.01 0.00 0.00 33.01 28.67 2nnb s GLN 169 CO 0.78 -0.02 1.14 -2.14 0.01 0.00 0.00 175.29 175.06 2nnb s PRO 170 N 1.26 1.39 0.19 2.91 0.02 -1.26 -4.92 135.00 134.59 2nnb s PRO 170 Ca 0.07 1.47 -0.30 0.00 0.02 0.00 0.00 61.00 62.25 2nnb s PRO 170 Cb -0.14 -1.78 -0.17 0.00 0.02 0.00 0.00 34.50 32.43 2nnb s PRO 170 CO 0.06 -2.34 0.71 1.58 -0.33 0.00 0.00 177.00 176.68 2nnb n HIS 171 N -3.97 0.05 0.32 6.54 -0.00 -1.26 -4.68 115.22 112.22 2nnb n HIS 171 Ca 0.11 0.92 0.19 0.00 -0.00 0.00 0.00 57.72 58.94 2nnb n HIS 171 Cb 0.52 -2.04 1.06 0.00 -0.00 0.00 0.00 29.99 29.53 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 1.58 0.00 -0.28 1.57 0.13 -1.96 -0.50 132.00 132.54 2nnb h PRO 172 Ca -0.34 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.78 2nnb h PRO 172 Cb 1.42 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.53 2nnb h PRO 172 CO 0.60 0.00 0.14 0.35 -0.23 0.00 0.00 178.00 178.85 2nnb h PHE 173 N 0.00 0.39 -0.57 1.56 3.04 -1.92 -1.17 116.94 118.28 2nnb h PHE 173 Ca -0.00 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 2nnb h PHE 173 Cb 0.01 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.37 2nnb h PHE 173 CO 0.00 0.35 0.31 0.82 -2.02 0.00 0.00 178.31 177.77 2nnb h ILE 174 N 0.32 1.19 -0.15 1.41 2.04 -1.45 0.40 117.51 121.26 2nnb h ILE 174 Ca 0.10 -0.48 0.02 0.00 1.00 0.00 0.00 64.86 65.50 2nnb h ILE 174 Cb 0.10 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 2nnb h ILE 174 CO -0.01 0.20 0.00 0.74 0.00 0.00 0.00 178.15 179.08 2nnb h THR 175 N 0.76 0.90 -0.56 -0.27 2.02 -1.15 0.22 112.91 114.82 2nnb h THR 175 Ca 0.20 -0.02 -0.09 0.00 0.77 0.00 0.00 66.41 67.27 2nnb h THR 175 Cb 0.05 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 2nnb h THR 175 CO -0.03 0.01 -0.02 0.28 0.37 0.00 0.00 175.52 176.13 2nnb h SER 176 N 0.05 0.97 -0.26 4.18 0.02 -0.99 0.72 113.55 118.25 2nnb h SER 176 Ca 0.07 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.72 2nnb h SER 176 Cb 0.08 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 2nnb h SER 176 CO -0.12 1.04 0.08 -0.03 -1.14 0.00 0.00 176.83 176.66 2nnb h MET 177 N 0.90 0.41 -0.38 3.45 -1.53 0.23 0.32 114.93 118.33 2nnb h MET 177 Ca 0.16 -0.09 -0.02 0.00 -3.44 0.00 0.00 59.70 56.31 2nnb h MET 177 Cb 0.56 -0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 31.53 2nnb h MET 177 CO 0.03 0.48 0.17 0.28 0.14 0.00 0.00 176.91 178.01 2nnb h VAL 178 N 0.25 1.18 -0.23 -5.77 2.07 -0.37 -0.59 116.25 112.80 2nnb h VAL 178 Ca 0.08 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2nnb h VAL 178 Cb 0.25 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2nnb h VAL 178 CO -0.00 0.20 0.14 -0.09 0.02 0.00 0.00 177.57 177.84 2nnb h ARG 179 N 0.47 0.30 -0.48 1.57 2.43 -0.77 -1.54 114.38 116.35 2nnb h ARG 179 Ca 0.13 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.34 2nnb h ARG 179 Cb 0.15 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.58 2nnb h ARG 179 CO -0.01 0.22 0.17 0.00 -1.51 0.00 0.00 179.97 178.84 2nnb h ALA 180 N 1.06 0.58 -0.77 2.80 0.00 -0.16 0.21 119.26 122.98 2nnb h ALA 180 Ca 0.08 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2nnb h ALA 180 Cb -0.01 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2nnb h ALA 180 CO -0.02 -0.23 0.33 1.25 0.00 0.00 0.00 179.25 180.59 2nnb h LEU 181 N 0.34 1.05 -0.51 0.00 5.85 -0.95 -0.53 115.31 120.55 2nnb h LEU 181 Ca 0.23 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 2nnb h LEU 181 Cb 0.24 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 2nnb h LEU 181 CO -0.24 0.92 0.01 0.44 -0.34 0.00 0.00 178.44 179.23 2nnb h ASP 182 N 1.11 0.88 -0.68 1.25 3.32 -0.79 -0.49 116.42 121.02 2nnb h ASP 182 Ca 0.26 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 2nnb h ASP 182 Cb 0.18 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 2nnb h ASP 182 CO -0.03 0.97 0.40 -0.08 -1.72 0.00 0.00 179.24 178.78 2nnb h GLU 183 N 0.77 0.94 -0.56 3.56 4.57 -0.77 0.51 114.58 123.60 2nnb h GLU 183 Ca 0.15 -0.10 -0.05 0.00 -1.18 0.00 0.00 59.36 58.18 2nnb h GLU 183 Cb 0.51 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 2nnb h GLU 183 CO 0.02 0.68 0.16 0.00 -1.18 0.00 0.00 179.01 178.70 2nnb h ALA 184 N 1.20 1.23 -0.05 2.92 0.00 -0.74 -1.97 119.26 121.85 2nnb h ALA 184 Ca 0.24 -0.19 -0.25 0.00 0.00 0.00 0.00 54.91 54.71 2nnb h ALA 184 Cb 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 17.58 2nnb h ALA 184 CO -0.04 0.54 -0.95 0.52 0.00 0.00 0.00 179.25 179.31 2nnb h MET 185 N 0.82 0.73 -0.04 0.00 2.86 -0.51 -3.18 114.93 115.61 2nnb h MET 185 Ca 0.18 -0.72 0.01 0.00 -2.06 0.00 0.00 59.70 57.11 2nnb h MET 185 Cb 0.26 0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 2nnb h MET 185 CO -0.01 1.31 0.04 -0.91 1.06 0.00 0.00 176.91 178.40 2nnb h ASN 186 N 0.43 0.00 0.09 1.22 2.35 0.31 -2.35 115.58 117.63 2nnb h ASN 186 Ca -0.11 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.64 2nnb h ASN 186 Cb 1.60 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.97 2nnb h ASN 186 CO 0.19 0.00 -0.01 0.11 -1.65 0.00 0.00 177.43 176.07 2nnb h LYS 187 N 0.00 0.00 -0.03 0.81 1.57 -1.34 -3.51 116.57 114.06 2nnb h LYS 187 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2nnb h LYS 187 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2nnb h LYS 187 CO -0.00 0.01 0.00 1.28 -0.57 0.00 0.00 179.45 180.17 2nnb n LEU 188 N -3.34 0.03 0.00 2.94 7.99 -0.89 -5.15 117.00 118.59 2nnb n LEU 188 Ca -0.03 -0.02 0.00 0.00 -0.01 0.00 0.00 56.01 55.96 2nnb n LEU 188 Cb 0.10 -0.02 0.00 0.00 -0.11 0.00 0.00 43.42 43.39 2nnb n LEU 188 CO 0.23 0.01 0.00 0.59 -1.51 0.00 0.00 177.39 176.71 2nnb n ASN 201 N -0.38 0.00 -0.10 -1.43 3.02 -1.26 -5.05 115.26 110.06 2nnb n ASN 201 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.51 2nnb n ASN 201 Cb 0.01 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 39.35 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 0.77 -0.14 3.52 1.57 -2.03 0.40 116.57 120.67 2nnb h LYS 202 Ca 0.00 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.53 2nnb h LYS 202 Cb 0.00 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 2nnb h LYS 202 CO 0.00 0.77 -0.11 -0.09 -0.57 0.00 0.00 179.45 179.45 2nnb h ARG 203 N 0.72 0.32 -0.44 3.15 2.43 -2.05 -2.58 114.38 115.93 2nnb h ARG 203 Ca 0.14 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 2nnb h ARG 203 Cb 0.42 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 2nnb h ARG 203 CO 0.02 0.69 0.05 0.37 -1.51 0.00 0.00 179.97 179.59 2nnb h GLN 204 N -0.05 0.68 -0.69 0.20 5.75 -1.94 -1.90 115.11 117.16 2nnb h GLN 204 Ca 0.02 -0.15 -0.03 0.00 -0.15 0.00 0.00 58.65 58.35 2nnb h GLN 204 Cb 0.62 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.04 2nnb h GLN 204 CO 0.03 0.66 0.32 0.35 -2.65 0.00 0.00 178.83 177.54 2nnb h PHE 205 N 0.66 1.00 -0.30 3.99 3.57 -0.84 -0.36 116.94 124.66 2nnb h PHE 205 Ca 0.14 -0.05 -0.15 0.00 3.53 0.00 0.00 57.97 61.43 2nnb h PHE 205 Cb 0.33 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 2nnb h PHE 205 CO 0.02 0.75 -0.43 1.96 -2.23 0.00 0.00 178.31 178.38 2nnb h GLN 206 N 0.96 0.75 -0.57 1.11 1.08 -1.23 -0.27 115.11 116.94 2nnb h GLN 206 Ca 0.23 -0.41 -0.08 0.00 -1.45 0.00 0.00 58.65 56.95 2nnb h GLN 206 Cb 0.14 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 2nnb h GLN 206 CO -0.03 1.03 0.04 1.49 -0.95 0.00 0.00 178.83 180.41 2nnb h GLU 207 N 0.60 0.94 -0.04 1.46 4.81 -1.00 -1.23 114.58 120.13 2nnb h GLU 207 Ca 0.04 -0.26 -0.22 0.00 -0.13 0.00 0.00 59.36 58.79 2nnb h GLU 207 Cb 0.99 -0.11 0.02 0.00 0.63 0.00 0.00 28.75 30.27 2nnb h GLU 207 CO 0.09 0.91 -0.85 -0.44 -0.73 0.00 0.00 179.01 177.99 2nnb h ASP 208 N 0.88 0.82 -0.67 1.04 3.32 -0.82 0.07 116.42 121.05 2nnb h ASP 208 Ca 0.17 -0.71 0.14 0.00 0.02 0.00 0.00 57.03 56.65 2nnb h ASP 208 Cb 0.46 -0.25 -0.10 0.00 0.22 0.00 0.00 39.33 39.66 2nnb h ASP 208 CO 0.02 1.42 0.11 0.40 -1.72 0.00 0.00 179.24 179.47 2nnb h ILE 209 N 0.29 0.53 -0.35 0.35 2.04 -1.03 -1.49 117.51 117.85 2nnb h ILE 209 Ca -0.10 -0.07 -0.11 0.00 1.00 0.00 0.00 64.86 65.58 2nnb h ILE 209 Cb 1.51 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 2nnb h ILE 209 CO 0.17 0.04 -0.24 0.50 0.00 0.00 0.00 178.15 178.62 2nnb h LYS 210 N 0.22 0.70 -0.64 2.37 1.63 -0.78 -0.45 116.57 119.61 2nnb h LYS 210 Ca 0.37 -0.28 -0.08 0.00 -0.85 0.00 0.00 60.65 59.81 2nnb h LYS 210 Cb 0.60 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.18 2nnb h LYS 210 CO -0.50 0.87 0.11 0.28 -3.45 0.00 0.00 179.45 176.76 2nnb h VAL 211 N 0.61 1.26 0.60 2.00 2.07 -0.57 -0.44 116.25 121.78 2nnb h VAL 211 Ca 0.08 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 2nnb h VAL 211 Cb 0.73 0.65 0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2nnb h VAL 211 CO 0.06 0.38 -0.29 0.24 0.02 0.00 0.00 177.57 177.98 2nnb h MET 212 N 0.99 -0.78 -0.76 1.57 2.07 -0.95 -2.67 114.93 114.38 2nnb h MET 212 Ca 0.20 0.05 0.05 0.00 -2.07 0.00 0.00 59.70 57.94 2nnb h MET 212 Cb 0.42 0.18 -0.06 0.00 -1.87 0.00 0.00 31.60 30.27 2nnb h MET 212 CO 0.01 -0.47 0.46 -0.91 1.07 0.00 0.00 176.91 177.07 2nnb h ASN 213 N -1.09 0.72 -0.11 1.22 2.35 -1.09 -1.69 115.58 115.89 2nnb h ASN 213 Ca -0.08 0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.71 2nnb h ASN 213 Cb 0.67 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 2nnb h ASN 213 CO 0.14 0.47 -0.02 0.44 -1.65 0.00 0.00 177.43 176.81 2nnb h ASP 214 N 0.85 -0.08 0.04 5.81 3.32 -1.10 0.61 116.42 125.87 2nnb h ASP 214 Ca 0.33 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.41 2nnb h ASP 214 Cb 0.15 0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2nnb h ASP 214 CO -0.16 -0.03 -0.02 0.25 -1.72 0.00 0.00 179.24 177.56 2nnb h LEU 215 N 0.01 -0.04 -0.33 1.55 5.85 -1.32 -1.37 115.31 119.67 2nnb h LEU 215 Ca 0.05 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.59 2nnb h LEU 215 Cb 0.07 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2nnb h LEU 215 CO -0.11 0.05 -0.20 0.58 -0.34 0.00 0.00 178.44 178.43 2nnb h VAL 216 N -0.14 1.29 -0.84 1.05 2.07 -1.11 -1.44 116.25 117.13 2nnb h VAL 216 Ca -0.01 -1.33 0.11 0.00 0.82 0.00 0.00 66.70 66.29 2nnb h VAL 216 Cb 0.12 1.44 -0.08 0.00 -1.52 0.00 0.00 31.29 31.25 2nnb h VAL 216 CO 0.01 0.43 0.48 0.44 0.02 0.00 0.00 177.57 178.95 2nnb h ASP 217 N 0.49 0.66 0.15 0.57 3.32 0.25 -1.97 116.42 119.88 2nnb h ASP 217 Ca 0.07 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 2nnb h ASP 217 Cb 0.75 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 2nnb h ASP 217 CO 0.06 0.35 -0.09 0.50 -1.72 0.00 0.00 179.24 178.34 2nnb h LYS 218 N 0.76 -0.23 -0.70 3.56 1.63 -0.77 0.16 116.57 120.99 2nnb h LYS 218 Ca 0.42 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.21 2nnb h LYS 218 Cb 0.45 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.10 2nnb h LYS 218 CO -0.28 -0.15 0.32 0.82 -3.45 0.00 0.00 179.45 176.71 2nnb h ILE 219 N -0.23 1.24 -0.23 2.00 2.04 -1.14 0.82 117.51 122.02 2nnb h ILE 219 Ca -0.01 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 2nnb h ILE 219 Cb 0.20 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 2nnb h ILE 219 CO 0.02 0.29 0.09 0.40 0.00 0.00 0.00 178.15 178.95 2nnb h ILE 220 N 0.99 1.16 -0.54 -0.67 2.04 -1.16 -1.28 117.51 118.04 2nnb h ILE 220 Ca 0.24 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 2nnb h ILE 220 Cb 0.16 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 2nnb h ILE 220 CO -0.03 0.16 0.32 0.00 0.00 0.00 0.00 178.15 178.61 2nnb h ALA 221 N 0.94 0.70 -0.77 1.87 0.00 0.19 -1.97 119.26 120.22 2nnb h ALA 221 Ca 0.08 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2nnb h ALA 221 Cb 0.17 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 2nnb h ALA 221 CO -0.01 0.19 0.43 -0.44 0.00 0.00 0.00 179.25 179.42 2nnb h ASP 222 N 0.73 0.62 -0.54 0.00 3.32 0.77 -1.88 116.42 119.45 2nnb h ASP 222 Ca 0.19 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.17 2nnb h ASP 222 Cb 0.00 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2nnb h ASP 222 CO -0.04 0.37 -0.10 -0.09 -1.72 0.00 0.00 179.24 177.67 2nnb h ARG 223 N 0.75 1.03 -0.23 3.56 9.65 -0.81 -1.50 114.38 126.83 2nnb h ARG 223 Ca 0.36 -0.37 -0.12 0.00 -1.10 0.00 0.00 59.98 58.75 2nnb h ARG 223 Cb 0.30 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.80 2nnb h ARG 223 CO -0.23 1.06 -0.36 0.87 2.80 0.00 0.00 179.97 184.11 2nnb h LYS 224 N 0.91 0.50 0.59 0.20 1.57 -1.23 -1.82 116.57 117.29 2nnb h LYS 224 Ca 0.14 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 2nnb h LYS 224 Cb 0.66 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.97 2nnb h LYS 224 CO 0.05 0.79 -0.28 0.00 -0.57 0.00 0.00 179.45 179.43 2nnb h ALA 225 N 1.19 -0.79 0.00 3.86 0.00 -1.09 -3.26 119.26 119.17 2nnb h ALA 225 Ca 0.04 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 2nnb h ALA 225 Cb 0.83 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2nnb h ALA 225 CO 0.07 -0.93 -0.53 0.66 0.00 0.00 0.00 179.25 178.52 2nnb h SER 226 N -0.82 0.00 0.00 0.00 4.64 -1.29 -3.47 113.55 112.60 2nnb h SER 226 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2nnb h SER 226 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2nnb h SER 226 CO 0.13 0.53 0.00 0.61 -0.87 0.00 0.00 176.83 177.24 2nnb n GLY 227 N 0.02 0.82 3.69 -0.77 0.00 -0.68 -5.01 105.19 103.25 2nnb n GLY 227 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2nnb n GLY 227 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2nnb n GLU 228 N -2.01 2.06 -3.62 1.61 0.28 -1.25 -5.00 120.64 112.71 2nnb n GLU 228 Ca 0.00 0.72 -0.38 0.00 -0.16 0.00 0.00 57.16 57.35 2nnb n GLU 228 Cb 0.00 -2.30 -0.11 0.00 1.43 0.00 0.00 31.44 30.46 2nnb n GLU 228 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 2nnb s GLN 229 N -1.74 3.89 0.39 3.44 -1.52 -1.26 -4.98 119.66 117.88 2nnb s GLN 229 Ca 0.57 -0.35 0.01 0.00 -1.95 0.00 0.00 55.36 53.63 2nnb s GLN 229 Cb -0.58 -3.59 -0.00 0.00 -0.22 0.00 0.00 33.01 28.61 2nnb s GLN 229 CO 0.61 -0.18 0.02 0.43 -0.25 0.00 0.00 175.29 175.92 2nnb n SER 230 N 5.03 2.72 -1.68 5.90 7.64 -1.26 -5.03 113.62 126.94 2nnb n SER 230 Ca -0.14 -2.76 -0.08 0.00 1.01 0.00 0.00 58.87 56.89 2nnb n SER 230 Cb 0.52 0.39 0.18 0.00 -1.01 0.00 0.00 64.21 64.29 2nnb n SER 230 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2nnb n ASP 231 N -1.32 3.77 -4.94 6.43 8.00 -1.26 -4.74 116.55 122.49 2nnb n ASP 231 Ca -0.14 -2.91 -0.19 0.00 0.71 0.00 0.00 54.79 52.26 2nnb n ASP 231 Cb 0.51 -0.69 -0.01 0.00 -0.02 0.00 0.00 41.12 40.90 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 -0.53 5.41 0.37 -2.24 -4.77 -1.26 -4.67 116.67 108.98 2nnb s ASP 232 Ca 0.38 -0.54 0.14 0.00 -3.30 0.00 0.00 52.55 49.23 2nnb s ASP 232 Cb 0.31 -0.71 0.73 0.00 -1.09 0.00 0.00 42.92 42.15 2nnb s ASP 232 CO 0.09 -0.65 1.82 -0.07 0.70 0.00 0.00 175.17 177.06 2nnb h LEU 233 N 0.88 0.00 -0.97 2.11 3.38 -1.01 -2.80 115.31 116.90 2nnb h LEU 233 Ca -0.42 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.51 2nnb h LEU 233 Cb 1.27 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 2nnb h LEU 233 CO 0.52 0.38 0.26 0.25 0.09 0.00 0.00 178.44 179.94 2nnb h LEU 234 N 0.00 0.92 -0.22 1.67 5.85 -1.21 -1.04 115.31 121.27 2nnb h LEU 234 Ca -0.00 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 2nnb h LEU 234 Cb 0.69 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2nnb h LEU 234 CO 0.05 0.83 0.02 0.74 -0.34 0.00 0.00 178.44 179.74 2nnb h THR 235 N 0.98 1.24 -0.96 1.05 2.02 -1.79 0.49 112.91 115.95 2nnb h THR 235 Ca 0.23 -0.82 0.09 0.00 0.77 0.00 0.00 66.41 66.68 2nnb h THR 235 Cb 0.20 1.35 -0.07 0.00 -1.74 0.00 0.00 68.15 67.89 2nnb h THR 235 CO -0.02 0.25 0.61 0.45 0.37 0.00 0.00 175.52 177.19 2nnb h HIS 236 N 0.16 1.09 -0.00 3.16 3.86 -1.41 -0.26 115.15 121.75 2nnb h HIS 236 Ca 0.07 0.03 -0.21 0.00 -1.16 0.00 0.00 60.37 59.09 2nnb h HIS 236 Cb 0.36 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.48 2nnb h HIS 236 CO 0.03 0.51 -0.90 0.52 0.86 0.00 0.00 177.93 178.94 2nnb h MET 237 N 1.02 0.34 -0.05 2.45 2.07 -0.67 0.38 114.93 120.46 2nnb h MET 237 Ca 0.44 -0.36 -0.07 0.00 -2.07 0.00 0.00 59.70 57.64 2nnb h MET 237 Cb 0.33 0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 30.15 2nnb h MET 237 CO -0.19 1.04 -0.28 -0.07 1.07 0.00 0.00 176.91 178.48 2nnb h LEU 238 N 0.19 0.09 0.00 1.22 3.38 -0.50 -3.20 115.31 116.50 2nnb h LEU 238 Ca -0.06 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2nnb h LEU 238 Cb 1.53 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.26 2nnb h LEU 238 CO 0.15 0.38 -0.79 0.59 0.09 0.00 0.00 178.44 178.86 2nnb n ASN 239 N -4.17 0.63 -4.80 -0.43 3.02 -0.15 -5.00 115.26 104.36 2nnb n ASN 239 Ca -0.02 -0.16 -0.34 0.00 -0.03 0.00 0.00 54.58 54.04 2nnb n ASN 239 Cb 0.35 0.49 -0.02 0.00 -0.61 0.00 0.00 39.78 40.00 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 -3.48 2.37 -0.03 7.41 0.00 0.13 -5.06 107.32 108.66 2nnb s GLY 240 Ca 0.06 0.53 0.01 0.00 0.00 0.00 0.00 44.72 45.33 2nnb s GLY 240 CO 0.76 0.85 -0.05 0.54 0.00 0.00 0.00 173.10 175.20 2nnb s LYS 241 N -3.56 0.72 -0.03 2.90 -0.14 -1.26 -4.24 119.74 114.13 2nnb s LYS 241 Ca 0.66 -0.12 -0.30 0.00 -1.36 0.00 0.00 55.97 54.85 2nnb s LYS 241 Cb -0.16 -0.73 -0.06 0.00 -1.68 0.00 0.00 37.83 35.20 2nnb s LYS 241 CO 0.27 -0.03 1.54 0.34 -0.76 0.00 0.00 175.35 176.70 2nnb s ASP 242 N 0.68 6.74 0.51 2.83 2.15 -0.02 -4.80 116.67 124.75 2nnb s ASP 242 Ca -0.09 2.19 0.19 0.00 0.43 0.00 0.00 52.55 55.27 2nnb s ASP 242 Cb -0.12 -2.55 1.27 0.00 -0.30 0.00 0.00 42.92 41.23 2nnb s ASP 242 CO 0.00 -0.85 2.07 1.55 -0.17 0.00 0.00 175.17 177.78 2nnb h PRO 243 N 8.73 0.06 0.26 4.34 0.13 -1.90 0.61 132.00 144.23 2nnb h PRO 243 Ca -0.38 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.73 2nnb h PRO 243 Cb 1.17 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2nnb h PRO 243 CO 0.94 0.04 -0.13 0.93 -0.23 0.00 0.00 178.00 179.55 2nnb h GLU 244 N 0.06 -0.34 0.00 0.86 3.07 -1.97 -3.36 114.58 112.91 2nnb h GLU 244 Ca 0.12 0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.96 2nnb h GLU 244 Cb 0.42 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 2nnb h GLU 244 CO -0.01 -0.03 -1.15 0.25 -1.40 0.00 0.00 179.01 176.67 2nnb n THR 245 N -5.01 0.77 -0.92 1.13 -2.24 -1.20 -4.96 114.28 101.84 2nnb n THR 245 Ca -0.07 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 2nnb n THR 245 Cb 0.23 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 2nnb n THR 245 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nnb n GLY 246 N 1.25 0.65 3.85 3.38 0.00 0.21 -5.00 105.19 109.52 2nnb n GLY 246 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.30 4.01 0.75 1.61 2.02 -1.25 -4.56 118.70 120.98 2nnb s GLU 247 Ca 0.00 0.59 -0.10 0.00 0.02 0.00 0.00 54.97 55.48 2nnb s GLU 247 Cb 0.00 -2.71 0.06 0.00 0.10 0.00 0.00 34.13 31.59 2nnb s GLU 247 CO 0.00 0.33 1.10 -1.25 0.02 0.00 0.00 175.26 175.45 2nnb s PRO 248 N -2.46 2.21 0.29 0.39 0.04 -1.26 -0.84 135.00 133.37 2nnb s PRO 248 Ca 0.46 0.02 -0.29 0.00 0.04 0.00 0.00 61.00 61.23 2nnb s PRO 248 Cb -0.13 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.26 2nnb s PRO 248 CO 0.19 -1.36 1.15 -0.51 0.04 0.00 0.00 177.00 176.52 2nnb s LEU 249 N -5.41 4.52 0.73 -3.56 1.43 -1.26 -4.93 118.68 110.21 2nnb s LEU 249 Ca 0.60 2.37 -0.09 0.00 -1.03 0.00 0.00 54.13 55.98 2nnb s LEU 249 Cb -0.11 -3.63 0.06 0.00 0.03 0.00 0.00 46.19 42.53 2nnb s LEU 249 CO 0.48 -0.23 1.08 1.51 0.23 0.00 0.00 176.35 179.41 2nnb s ASP 250 N -0.79 4.88 0.38 2.29 1.47 -1.26 -4.85 116.67 118.79 2nnb s ASP 250 Ca 0.45 0.72 0.06 0.00 1.18 0.00 0.00 52.55 54.96 2nnb s ASP 250 Cb -0.34 -1.37 0.76 0.00 -0.34 0.00 0.00 42.92 41.64 2nnb s ASP 250 CO 0.44 -1.62 2.00 0.44 0.68 0.00 0.00 175.17 177.11 2nnb h ASP 251 N -0.74 0.50 -0.08 2.11 3.32 -1.99 -0.72 116.42 118.82 2nnb h ASP 251 Ca -0.45 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 56.54 2nnb h ASP 251 Cb 1.30 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.73 2nnb h ASP 251 CO 0.63 0.42 -0.04 -0.08 -1.72 0.00 0.00 179.24 178.45 2nnb h GLU 252 N 0.57 0.18 -0.64 3.56 4.81 -2.00 -1.81 114.58 119.25 2nnb h GLU 252 Ca 0.15 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 2nnb h GLU 252 Cb 0.04 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 2nnb h GLU 252 CO -0.02 0.55 0.17 -0.97 -0.73 0.00 0.00 179.01 178.01 2nnb h ASN 253 N -0.20 0.94 -0.72 1.04 -0.73 -1.80 -1.24 115.58 112.88 2nnb h ASN 253 Ca 0.02 -0.18 0.02 0.00 1.87 0.00 0.00 56.30 58.03 2nnb h ASN 253 Cb 0.50 -0.25 -0.04 0.00 0.27 0.00 0.00 38.32 38.80 2nnb h ASN 253 CO 0.01 0.90 0.46 0.40 -0.37 0.00 0.00 177.43 178.83 2nnb h ILE 254 N 0.96 1.12 -0.33 2.57 2.04 -1.00 0.57 117.51 123.44 2nnb h ILE 254 Ca 0.21 -0.31 0.05 0.00 1.00 0.00 0.00 64.86 65.80 2nnb h ILE 254 Cb 0.32 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 2nnb h ILE 254 CO -0.00 0.17 0.07 -0.09 0.00 0.00 0.00 178.15 178.29 2nnb h ARG 255 N 0.91 0.18 -0.89 2.37 2.43 -0.97 -1.75 114.38 116.64 2nnb h ARG 255 Ca 0.28 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 2nnb h ARG 255 Cb -0.02 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 2nnb h ARG 255 CO -0.09 0.12 0.51 1.88 -1.51 0.00 0.00 179.97 180.88 2nnb h TYR 256 N 0.18 1.20 -0.96 2.20 0.05 -0.17 -1.26 116.97 118.20 2nnb h TYR 256 Ca 0.16 -0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.94 2nnb h TYR 256 Cb 0.17 -0.39 -0.05 0.00 1.01 0.00 0.00 36.73 37.47 2nnb h TYR 256 CO -0.18 0.81 0.63 1.96 -1.05 0.00 0.00 178.16 180.34 2nnb h GLN 257 N 1.24 1.22 -0.15 4.88 1.08 -0.53 0.20 115.11 123.04 2nnb h GLN 257 Ca 0.32 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.42 2nnb h GLN 257 Cb -0.01 -0.28 -0.01 0.00 -0.05 0.00 0.00 27.48 27.14 2nnb h GLN 257 CO -0.06 0.81 -0.00 0.82 -0.95 0.00 0.00 178.83 179.45 2nnb h ILE 258 N 1.26 1.26 -0.86 2.54 2.04 -0.63 0.19 117.51 123.30 2nnb h ILE 258 Ca 0.37 -0.85 0.11 0.00 1.00 0.00 0.00 64.86 65.49 2nnb h ILE 258 Cb -0.06 1.52 -0.08 0.00 -0.74 0.00 0.00 36.82 37.46 2nnb h ILE 258 CO -0.10 0.25 0.49 0.40 0.00 0.00 0.00 178.15 179.19 2nnb h ILE 259 N 0.01 0.87 -0.41 -0.67 2.04 -1.05 -2.41 117.51 115.89 2nnb h ILE 259 Ca 0.04 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.56 2nnb h ILE 259 Cb 0.38 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2nnb h ILE 259 CO 0.01 0.14 -0.03 0.74 0.00 0.00 0.00 178.15 179.01 2nnb h THR 260 N 0.79 1.27 -0.84 -0.27 2.02 0.08 0.53 112.91 116.49 2nnb h THR 260 Ca 0.43 -1.07 0.03 0.00 0.77 0.00 0.00 66.41 66.57 2nnb h THR 260 Cb 0.45 1.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.96 2nnb h THR 260 CO -0.28 0.36 0.54 -0.26 0.37 0.00 0.00 175.52 176.26 2nnb h PHE 261 N 0.56 1.02 0.08 3.16 0.04 -0.24 0.71 116.94 122.27 2nnb h PHE 261 Ca 0.11 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.90 2nnb h PHE 261 Cb 0.53 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.34 2nnb h PHE 261 CO 0.04 0.59 -0.04 -0.07 -0.60 0.00 0.00 178.31 178.24 2nnb h LEU 262 N 1.06 -0.09 -0.13 1.54 3.38 -0.92 -0.99 115.31 119.16 2nnb h LEU 262 Ca 0.33 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2nnb h LEU 262 Cb -0.01 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2nnb h LEU 262 CO -0.11 0.05 0.03 0.40 0.09 0.00 0.00 178.44 178.91 2nnb h ILE 263 N -0.23 1.19 0.00 1.22 1.08 -0.43 -1.18 117.51 119.16 2nnb h ILE 263 Ca -0.01 -0.59 -0.07 0.00 -0.39 0.00 0.00 64.86 63.80 2nnb h ILE 263 Cb 0.20 1.34 -0.01 0.00 -3.07 0.00 0.00 36.82 35.28 2nnb h ILE 263 CO 0.02 0.18 -0.33 0.00 -0.69 0.00 0.00 178.15 177.32 2nnb h ALA 264 N 0.84 0.94 0.00 1.87 0.00 -0.92 -3.37 119.26 118.61 2nnb h ALA 264 Ca 0.04 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 2nnb h ALA 264 Cb 0.24 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2nnb h ALA 264 CO -0.00 0.41 -1.86 0.41 0.00 0.00 0.00 179.25 178.21 2nnb n GLY 265 N 0.42 -0.68 0.06 0.00 0.00 -0.38 -4.40 105.19 100.22 2nnb n GLY 265 Ca 0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 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 0.06 0.00 1.61 2.07 -1.35 -3.01 115.15 114.53 2nnb h HIS 266 Ca -0.25 -0.01 -0.28 0.00 -2.85 0.00 0.00 60.37 56.97 2nnb h HIS 266 Cb 1.47 -0.02 -0.05 0.00 2.57 0.00 0.00 27.41 31.39 2nnb h HIS 266 CO 0.00 0.36 -1.96 0.39 -3.07 0.00 0.00 177.93 173.65 2nnb n GLU 267 N -4.90 0.66 -0.11 5.12 1.02 -1.26 -1.82 120.64 119.34 2nnb n GLU 267 Ca -0.07 0.13 -0.08 0.00 -0.02 0.00 0.00 57.16 57.12 2nnb n GLU 267 Cb 0.18 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 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 1.05 -0.06 2.62 1.35 -1.77 -1.34 112.91 114.75 2nnb h THR 268 Ca -0.35 -0.15 -0.21 0.00 -0.55 0.00 0.00 66.41 65.14 2nnb h THR 268 Cb 1.97 0.56 0.01 0.00 -1.73 0.00 0.00 68.15 68.96 2nnb h THR 268 CO 0.05 0.08 -0.77 0.74 -0.25 0.00 0.00 175.52 175.37 2nnb h THR 269 N 0.45 1.32 -0.31 6.82 2.02 -1.59 -0.63 112.91 120.99 2nnb h THR 269 Ca 0.15 -2.05 -0.06 0.00 0.77 0.00 0.00 66.41 65.21 2nnb h THR 269 Cb -0.00 2.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 2nnb h THR 269 CO -0.06 0.63 -0.06 0.77 0.37 0.00 0.00 175.52 177.16 2nnb h SER 270 N 0.28 0.47 -0.58 4.18 4.64 -1.41 -1.93 113.55 119.20 2nnb h SER 270 Ca -0.08 -0.10 -0.10 0.00 -0.47 0.00 0.00 61.79 61.03 2nnb h SER 270 Cb 1.43 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 63.38 2nnb h SER 270 CO 0.16 0.59 -0.04 1.23 -0.87 0.00 0.00 176.83 177.89 2nnb h GLY 271 N 0.87 1.14 0.93 -0.77 0.00 -1.19 -1.18 103.07 102.88 2nnb h GLY 271 Ca 0.09 -0.87 -0.00 0.00 0.00 0.00 0.00 47.33 46.56 2nnb h GLY 271 CO 0.02 0.80 0.06 -2.00 0.00 0.00 0.00 176.54 175.41 2nnb h LEU 272 N 0.95 0.13 -1.18 3.11 6.46 -0.77 0.12 115.31 124.12 2nnb h LEU 272 Ca 0.16 -0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.82 2nnb h LEU 272 Cb 0.60 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.47 2nnb h LEU 272 CO 0.04 0.17 0.34 -0.07 -0.62 0.00 0.00 178.44 178.30 2nnb h LEU 273 N 0.07 0.81 0.05 2.25 3.38 -1.08 -0.40 115.31 120.39 2nnb h LEU 273 Ca 0.04 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2nnb h LEU 273 Cb 0.07 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2nnb h LEU 273 CO -0.01 0.67 -0.02 0.28 0.09 0.00 0.00 178.44 179.45 2nnb h SER 274 N 0.91 -0.05 -0.56 -0.43 0.02 -0.78 -1.70 113.55 110.96 2nnb h SER 274 Ca 0.23 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 2nnb h SER 274 Cb 0.05 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2nnb h SER 274 CO -0.03 0.15 0.20 -0.26 -1.14 0.00 0.00 176.83 175.75 2nnb h PHE 275 N -0.26 0.86 -0.53 3.45 0.04 -0.48 0.13 116.94 120.14 2nnb h PHE 275 Ca -0.01 -0.07 0.07 0.00 2.80 0.00 0.00 57.97 60.76 2nnb h PHE 275 Cb 0.24 -0.26 -0.06 0.00 2.20 0.00 0.00 35.95 38.07 2nnb h PHE 275 CO -0.01 0.71 0.20 0.00 -0.60 0.00 0.00 178.31 178.61 2nnb h ALA 276 N 1.06 0.66 -0.40 2.45 0.00 -1.05 0.52 119.26 122.51 2nnb h ALA 276 Ca 0.18 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 2nnb h ALA 276 Cb 0.23 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2nnb h ALA 276 CO -0.01 -0.20 -0.28 1.25 0.00 0.00 0.00 179.25 180.01 2nnb h LEU 277 N 0.38 0.87 0.11 0.00 5.85 -1.04 -0.95 115.31 120.52 2nnb h LEU 277 Ca 0.26 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.65 2nnb h LEU 277 Cb 0.28 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 2nnb h LEU 277 CO -0.26 1.09 -0.41 0.22 -0.34 0.00 0.00 178.44 178.74 2nnb h TYR 278 N 0.72 -1.16 -0.56 1.25 3.20 -0.65 -0.20 116.97 119.58 2nnb h TYR 278 Ca 0.09 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.02 2nnb h TYR 278 Cb 0.82 0.49 -0.03 0.00 1.54 0.00 0.00 36.73 39.56 2nnb h TYR 278 CO 0.05 -0.51 0.37 0.74 -1.64 0.00 0.00 178.16 177.17 2nnb h PHE 279 N -0.64 0.61 -0.16 -3.82 0.04 -0.73 -1.81 116.94 110.44 2nnb h PHE 279 Ca 0.02 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 2nnb h PHE 279 Cb 0.67 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 2nnb h PHE 279 CO -0.37 0.36 -0.03 -0.07 -0.60 0.00 0.00 178.31 177.60 2nnb h LEU 280 N 0.64 0.30 -1.84 1.54 3.38 -0.51 -1.89 115.31 116.93 2nnb h LEU 280 Ca 0.22 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2nnb h LEU 280 Cb 0.10 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2nnb h LEU 280 CO -0.06 0.59 -0.14 -0.37 0.09 0.00 0.00 178.44 178.55 2nnb h VAL 281 N 0.01 0.63 -0.00 1.22 -1.51 -0.77 -1.61 116.25 114.22 2nnb h VAL 281 Ca 0.04 -0.59 0.00 0.00 -1.23 0.00 0.00 66.70 64.93 2nnb h VAL 281 Cb 0.45 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 2nnb h VAL 281 CO 0.01 0.13 -0.18 0.29 -1.23 0.00 0.00 177.57 176.60 2nnb n LYS 282 N -3.70 0.30 -3.32 5.19 4.76 -0.71 -4.36 118.16 116.32 2nnb n LYS 282 Ca -0.02 -0.11 -0.26 0.00 -2.87 0.00 0.00 58.31 55.06 2nnb n LYS 282 Cb 0.25 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 31.86 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 -1.26 0.02 0.18 4.39 3.02 -0.61 -5.00 115.26 116.01 2nnb n ASN 283 Ca 0.10 -2.56 0.16 0.00 -0.03 0.00 0.00 54.58 52.24 2nnb n ASN 283 Cb 0.31 -0.60 0.77 0.00 -0.61 0.00 0.00 39.78 39.66 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 4.88 0.00 -0.64 3.52 0.11 -1.76 -0.58 132.00 137.53 2nnb h PRO 284 Ca 0.18 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.23 2nnb h PRO 284 Cb 0.89 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.97 2nnb h PRO 284 CO 0.43 0.00 0.16 0.45 -0.21 0.00 0.00 178.00 178.83 2nnb h HIS 285 N 0.00 1.07 -0.27 0.65 3.86 -1.95 -1.02 115.15 117.50 2nnb h HIS 285 Ca 0.10 -0.13 -0.06 0.00 -1.16 0.00 0.00 60.37 59.11 2nnb h HIS 285 Cb 0.46 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 2nnb h HIS 285 CO 0.00 0.89 -0.09 0.28 0.86 0.00 0.00 177.93 179.88 2nnb h VAL 286 N 0.94 1.29 -0.45 2.45 2.07 -1.46 -2.12 116.25 118.98 2nnb h VAL 286 Ca 0.20 -1.13 0.06 0.00 0.82 0.00 0.00 66.70 66.65 2nnb h VAL 286 Cb 0.36 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 2nnb h VAL 286 CO 0.00 0.36 0.15 0.25 0.02 0.00 0.00 177.57 178.35 2nnb h LEU 287 N 0.28 0.15 -0.75 2.57 6.46 -1.25 -1.17 115.31 121.60 2nnb h LEU 287 Ca 0.07 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.89 2nnb h LEU 287 Cb 0.57 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.51 2nnb h LEU 287 CO 0.03 0.12 0.50 -0.61 -0.62 0.00 0.00 178.44 177.86 2nnb h GLN 288 N 0.32 0.98 -0.69 1.25 4.15 -1.11 0.30 115.11 120.32 2nnb h GLN 288 Ca 0.21 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.51 2nnb h GLN 288 Cb 0.21 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 2nnb h GLN 288 CO -0.22 0.65 0.18 -0.22 -1.93 0.00 0.00 178.83 177.29 2nnb h LYS 289 N 1.01 1.09 -0.36 1.69 3.64 -0.93 -0.35 116.57 122.37 2nnb h LYS 289 Ca 0.28 -0.26 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 2nnb h LYS 289 Cb -0.11 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 2nnb h LYS 289 CO -0.06 0.96 0.01 0.00 -2.27 0.00 0.00 179.45 178.09 2nnb h ALA 290 N 1.08 0.48 -0.61 5.00 0.00 -0.77 -2.52 119.26 121.93 2nnb h ALA 290 Ca 0.22 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2nnb h ALA 290 Cb 0.35 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2nnb h ALA 290 CO -0.00 0.24 0.37 0.00 0.00 0.00 0.00 179.25 179.86 2nnb h ALA 291 N 0.87 1.49 -0.55 0.00 0.00 -0.16 -1.69 119.26 119.22 2nnb h ALA 291 Ca 0.10 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 2nnb h ALA 291 Cb 0.45 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2nnb h ALA 291 CO 0.02 0.44 -0.10 0.93 0.00 0.00 0.00 179.25 180.54 2nnb h GLU 292 N 0.84 1.03 0.03 0.00 5.08 -0.93 0.49 114.58 121.12 2nnb h GLU 292 Ca 0.22 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2nnb h GLU 292 Cb -0.03 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2nnb h GLU 292 CO -0.04 1.07 -0.04 1.49 -1.00 0.00 0.00 179.01 180.48 2nnb h GLU 293 N 0.91 -0.09 -0.68 2.33 4.81 -1.27 -0.86 114.58 119.72 2nnb h GLU 293 Ca 0.14 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.46 2nnb h GLU 293 Cb 0.67 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.00 2nnb h GLU 293 CO 0.05 -0.06 0.35 0.00 -0.73 0.00 0.00 179.01 178.62 2nnb h ALA 294 N 0.87 0.92 -0.33 2.92 0.00 -1.15 0.42 119.26 122.91 2nnb h ALA 294 Ca 0.01 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 2nnb h ALA 294 Cb 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2nnb h ALA 294 CO -0.02 -0.01 -0.41 0.00 0.00 0.00 0.00 179.25 178.80 2nnb h ALA 295 N 1.39 0.66 -0.20 0.00 0.00 -0.69 -0.46 119.26 119.96 2nnb h ALA 295 Ca 0.32 -0.46 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 2nnb h ALA 295 Cb 0.28 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2nnb h ALA 295 CO -0.23 0.67 -0.55 -0.09 0.00 0.00 0.00 179.25 179.05 2nnb h ARG 296 N 0.65 0.61 0.15 0.00 2.43 -0.45 -3.36 114.38 114.41 2nnb h ARG 296 Ca 0.05 -0.39 -0.30 0.00 -0.81 0.00 0.00 59.98 58.53 2nnb h ARG 296 Cb 0.98 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2nnb h ARG 296 CO 0.09 1.00 -1.53 0.28 -1.51 0.00 0.00 179.97 178.30 2nnb h VAL 297 N 0.47 1.01 -2.35 0.20 2.07 -0.00 -3.41 116.25 114.24 2nnb h VAL 297 Ca 0.01 -2.45 -0.77 0.00 0.82 0.00 0.00 66.70 64.31 2nnb h VAL 297 Cb 1.11 2.75 -0.21 0.00 -1.52 0.00 0.00 31.29 33.42 2nnb h VAL 297 CO 0.11 0.77 1.27 0.18 0.02 0.00 0.00 177.57 179.92 2nnb n LEU 298 N -3.80 6.03 -0.02 2.57 4.77 -0.20 -4.72 117.00 121.63 2nnb n LEU 298 Ca -0.25 -4.81 0.13 0.00 -0.03 0.00 0.00 56.01 51.06 2nnb n LEU 298 Cb 0.97 -1.47 0.43 0.00 -2.33 0.00 0.00 43.42 41.02 2nnb n LEU 298 CO 0.45 1.28 0.69 1.33 -1.33 0.00 0.00 177.39 179.82 2nnb n VAL 299 N 3.06 0.00 -4.06 4.08 0.24 -1.26 -4.86 118.33 115.53 2nnb n VAL 299 Ca 0.33 -0.01 -0.30 0.00 -2.04 0.00 0.00 64.34 62.31 2nnb n VAL 299 Cb 0.38 -0.06 -0.07 0.00 -1.47 0.00 0.00 33.84 32.62 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 -2.92 5.46 0.58 -1.34 1.01 -1.26 -5.01 116.67 113.18 2nnb s ASP 300 Ca 0.15 -0.03 0.27 0.00 0.71 0.00 0.00 52.55 53.65 2nnb s ASP 300 Cb 0.18 -1.44 1.67 0.00 1.01 0.00 0.00 42.92 44.34 2nnb s ASP 300 CO 0.61 0.17 2.17 -0.65 0.21 0.00 0.00 175.17 177.68 2nnb h PRO 301 N 3.32 0.00 -4.99 8.23 0.11 -1.89 -3.36 132.00 133.41 2nnb h PRO 301 Ca -0.47 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 64.99 2nnb h PRO 301 Cb 1.16 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 31.93 2nnb h PRO 301 CO 0.65 0.00 -0.86 0.14 -0.21 0.00 0.00 178.00 177.72 2nnb s VAL 302 N -4.71 1.90 0.47 3.15 -7.23 -1.26 -4.52 120.40 108.20 2nnb s VAL 302 Ca -0.05 -0.86 -0.24 0.00 -1.81 0.00 0.00 61.98 59.03 2nnb s VAL 302 Cb 0.16 -1.72 -0.07 0.00 0.56 0.00 0.00 36.38 35.31 2nnb s VAL 302 CO 0.57 0.52 1.26 -2.84 -0.31 0.00 0.00 175.10 174.30 2nnb s PRO 303 N 1.14 3.64 0.42 4.82 0.02 -1.26 -5.01 135.00 138.77 2nnb s PRO 303 Ca -0.00 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.05 2nnb s PRO 303 Cb -0.14 -2.47 -0.01 0.00 0.02 0.00 0.00 34.50 31.90 2nnb s PRO 303 CO -0.08 -0.72 0.64 -1.54 -0.33 0.00 0.00 177.00 174.98 2nnb s SER 304 N -1.05 5.96 0.20 2.53 1.04 -1.26 -5.00 113.70 116.12 2nnb s SER 304 Ca 0.64 0.34 -0.11 0.00 0.48 0.00 0.00 55.95 57.30 2nnb s SER 304 Cb -0.35 -1.68 0.20 0.00 0.10 0.00 0.00 66.02 64.29 2nnb s SER 304 CO 0.43 -0.59 1.79 0.22 0.98 0.00 0.00 173.24 176.06 2nnb h TYR 305 N 0.48 0.54 -0.49 5.02 3.20 -1.96 -2.51 116.97 121.26 2nnb h TYR 305 Ca -0.47 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.36 2nnb h TYR 305 Cb 1.24 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.33 2nnb h TYR 305 CO 0.47 0.25 0.05 0.87 -1.64 0.00 0.00 178.16 178.16 2nnb h LYS 306 N 0.56 0.78 -0.92 1.82 1.57 -2.00 -2.52 116.57 115.86 2nnb h LYS 306 Ca 0.26 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2nnb h LYS 306 Cb 0.19 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 2nnb h LYS 306 CO -0.19 0.76 0.60 1.96 -0.57 0.00 0.00 179.45 182.02 2nnb h GLN 307 N 0.74 1.21 -0.81 3.15 4.20 -1.84 -2.43 115.11 119.34 2nnb h GLN 307 Ca 0.15 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 2nnb h GLN 307 Cb 0.38 -0.27 -0.04 0.00 0.30 0.00 0.00 27.48 27.85 2nnb h GLN 307 CO 0.01 0.80 0.33 0.28 -0.67 0.00 0.00 178.83 179.58 2nnb h VAL 308 N 1.25 1.26 0.00 -0.54 2.07 -1.04 0.46 116.25 119.70 2nnb h VAL 308 Ca 0.34 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 2nnb h VAL 308 Cb -0.14 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 29.92 2nnb h VAL 308 CO -0.07 0.34 -0.06 0.11 0.02 0.00 0.00 177.57 177.91 2nnb h LYS 309 N 1.17 0.00 -0.01 1.57 6.56 -1.15 -2.00 116.57 122.71 2nnb h LYS 309 Ca 0.27 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.86 2nnb h LYS 309 Cb 0.21 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.87 2nnb h LYS 309 CO -0.02 0.06 -0.05 1.04 -2.06 0.00 0.00 179.45 178.42 2nnb n GLN 310 N -3.54 1.26 -1.64 3.15 1.13 0.14 -4.42 117.38 113.46 2nnb n GLN 310 Ca -0.02 -0.58 -0.41 0.00 -1.94 0.00 0.00 57.00 54.06 2nnb n GLN 310 Cb 0.17 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.02 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 -0.37 7.67 -0.11 1.08 4.77 -0.75 -4.75 117.00 124.54 2nnb n LEU 311 Ca 0.19 -4.33 -0.11 0.00 -0.03 0.00 0.00 56.01 51.73 2nnb n LEU 311 Cb 0.29 -1.58 -0.03 0.00 -2.33 0.00 0.00 43.42 39.77 2nnb n LEU 311 CO 0.19 1.58 0.79 0.11 -1.33 0.00 0.00 177.39 178.73 2nnb h LYS 312 N 5.49 0.58 -0.25 3.23 6.56 -1.85 -0.92 116.57 129.41 2nnb h LYS 312 Ca 0.68 -0.17 -0.19 0.00 -1.06 0.00 0.00 60.65 59.91 2nnb h LYS 312 Cb 0.48 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 2nnb h LYS 312 CO 1.80 0.68 -0.60 -0.92 -2.06 0.00 0.00 179.45 178.35 2nnb h TYR 313 N 0.39 1.04 -0.58 -1.35 3.20 -1.97 -0.51 116.97 117.19 2nnb h TYR 313 Ca 0.10 -0.39 0.10 0.00 3.14 0.00 0.00 58.73 61.68 2nnb h TYR 313 Cb 0.41 -0.19 -0.08 0.00 1.54 0.00 0.00 36.73 38.41 2nnb h TYR 313 CO 0.03 1.21 0.14 0.28 -1.64 0.00 0.00 178.16 178.19 2nnb h VAL 314 N 0.61 0.68 -0.74 1.81 2.07 -1.87 0.29 116.25 119.11 2nnb h VAL 314 Ca -0.00 -0.10 0.11 0.00 0.82 0.00 0.00 66.70 67.53 2nnb h VAL 314 Cb 1.21 0.37 -0.08 0.00 -1.52 0.00 0.00 31.29 31.27 2nnb h VAL 314 CO 0.13 0.05 0.35 1.23 0.02 0.00 0.00 177.57 179.35 2nnb h GLY 315 N 0.29 1.12 0.95 2.17 0.00 -0.69 -1.07 103.07 105.83 2nnb h GLY 315 Ca 0.30 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 2nnb h GLY 315 CO -0.37 0.01 -0.01 -0.33 0.00 0.00 0.00 176.54 175.84 2nnb h MET 316 N 0.57 0.71 -0.53 4.80 2.07 -0.33 -1.21 114.93 121.01 2nnb h MET 316 Ca 0.38 -0.23 0.10 0.00 -2.07 0.00 0.00 59.70 57.88 2nnb h MET 316 Cb 0.46 -0.06 -0.08 0.00 -1.87 0.00 0.00 31.60 30.05 2nnb h MET 316 CO -0.31 0.81 0.05 0.28 1.07 0.00 0.00 176.91 178.81 2nnb h VAL 317 N 0.53 0.63 -0.54 -2.22 2.07 0.04 -0.59 116.25 116.18 2nnb h VAL 317 Ca 0.11 -0.06 -0.09 0.00 0.82 0.00 0.00 66.70 67.49 2nnb h VAL 317 Cb 0.49 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2nnb h VAL 317 CO 0.02 0.03 0.00 -0.07 0.02 0.00 0.00 177.57 177.58 2nnb h LEU 318 N 0.17 0.94 -0.81 2.57 3.38 -1.00 -0.58 115.31 119.98 2nnb h LEU 318 Ca 0.27 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2nnb h LEU 318 Cb 0.40 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2nnb h LEU 318 CO -0.40 1.01 0.29 0.78 0.09 0.00 0.00 178.44 180.20 2nnb h ASN 319 N 0.83 1.08 -0.62 -0.43 -0.26 -0.86 0.19 115.58 115.53 2nnb h ASN 319 Ca 0.15 -0.18 -0.09 0.00 -0.56 0.00 0.00 56.30 55.62 2nnb h ASN 319 Cb 0.53 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.49 2nnb h ASN 319 CO 0.03 0.98 0.02 -0.08 -1.06 0.00 0.00 177.43 177.31 2nnb h GLU 320 N 1.13 1.08 -0.54 0.81 4.57 -0.84 0.39 114.58 121.18 2nnb h GLU 320 Ca 0.26 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2nnb h GLU 320 Cb 0.25 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 2nnb h GLU 320 CO -0.02 1.04 0.34 0.00 -1.18 0.00 0.00 179.01 179.19 2nnb h ALA 321 N 1.00 0.68 -0.00 2.92 0.00 -0.72 -2.11 119.26 121.02 2nnb h ALA 321 Ca 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2nnb h ALA 321 Cb 0.54 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2nnb h ALA 321 CO 0.03 0.14 -0.06 -0.07 0.00 0.00 0.00 179.25 179.29 2nnb h LEU 322 N 0.72 0.00 0.29 0.00 -0.00 -0.23 -0.18 115.31 115.92 2nnb h LEU 322 Ca 0.19 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.06 2nnb h LEU 322 Cb -0.05 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.61 2nnb h LEU 322 CO -0.04 0.07 -0.14 -0.09 -0.00 0.00 0.00 178.44 178.24 2nnb h ARG 323 N 0.00 -0.38 -0.15 1.13 2.43 0.29 -2.54 114.38 115.16 2nnb h ARG 323 Ca 0.00 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 2nnb h ARG 323 Cb 0.11 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2nnb h ARG 323 CO 0.01 -0.08 -0.08 -0.07 -1.51 0.00 0.00 179.97 178.24 2nnb h LEU 324 N -0.69 0.33 -6.21 3.80 3.38 -1.33 -3.40 115.31 111.18 2nnb h LEU 324 Ca -0.04 -0.42 -0.58 0.00 0.09 0.00 0.00 57.88 56.93 2nnb h LEU 324 Cb 0.48 -0.09 -0.40 0.00 0.09 0.00 0.00 40.66 40.74 2nnb h LEU 324 CO 0.07 0.68 -0.92 0.79 0.09 0.00 0.00 178.44 179.14 2nnb n TRP 325 N -4.64 0.70 -1.77 1.13 7.02 -0.09 -4.85 117.44 114.94 2nnb n TRP 325 Ca -0.06 -3.70 -0.42 0.00 -1.02 0.00 0.00 57.50 52.30 2nnb n TRP 325 Cb 0.30 -0.29 -0.03 0.00 -2.42 0.00 0.00 31.31 28.87 2nnb n TRP 325 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 2nnb s PRO 326 N -1.23 4.15 0.00 -0.99 0.04 -0.96 -4.64 135.00 131.37 2nnb s PRO 326 Ca 0.35 2.52 0.28 0.00 0.04 0.00 0.00 61.00 64.20 2nnb s PRO 326 Cb 0.12 -3.60 1.17 0.00 0.04 0.00 0.00 34.50 32.22 2nnb s PRO 326 CO -0.11 -0.81 1.82 0.25 0.04 0.00 0.00 177.00 178.18 2nnb n THR 327 N 4.74 0.00 -3.76 1.26 -2.24 -1.26 -3.32 114.28 109.69 2nnb n THR 327 Ca 0.17 -0.09 -0.28 0.00 -2.27 0.00 0.00 64.05 61.58 2nnb n THR 327 Cb 0.39 0.05 -0.11 0.00 -2.10 0.00 0.00 70.33 68.56 2nnb n THR 327 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nnb n ALA 328 N -0.74 3.53 0.59 6.98 0.00 -1.26 -1.80 120.51 127.80 2nnb n ALA 328 Ca 0.15 -4.50 0.12 0.00 0.00 0.00 0.00 53.44 49.21 2nnb n ALA 328 Cb 0.29 -0.99 0.46 0.00 0.00 0.00 0.00 19.45 19.21 2nnb n ALA 328 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2nnb n PRO 329 N 1.74 0.16 -3.95 0.00 -0.04 -1.21 -4.75 135.00 126.95 2nnb n PRO 329 Ca 0.23 0.25 -0.14 0.00 -0.04 0.00 0.00 63.50 63.80 2nnb n PRO 329 Cb 0.37 -1.74 -0.14 0.00 -0.04 0.00 0.00 33.50 31.95 2nnb n PRO 329 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2nnb s ALA 330 N -3.14 0.15 0.09 0.55 0.00 -1.26 -1.12 121.76 117.03 2nnb s ALA 330 Ca 0.09 -0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.04 2nnb s ALA 330 Cb 0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 2nnb s ALA 330 CO 0.47 0.02 -0.09 -0.59 0.00 0.00 0.00 175.76 175.57 2nnb s PHE 331 N 0.08 1.00 -0.08 0.00 -0.71 -1.11 -4.97 117.98 112.19 2nnb s PHE 331 Ca -0.00 -0.70 0.00 0.00 -1.04 0.00 0.00 56.93 55.19 2nnb s PHE 331 Cb -0.02 -0.55 -0.03 0.00 -1.21 0.00 0.00 43.02 41.21 2nnb s PHE 331 CO -0.00 -0.03 -0.06 0.45 -1.34 0.00 0.00 175.22 174.23 2nnb s SER 332 N -2.52 4.70 0.18 1.98 0.15 -1.26 -1.04 113.70 115.89 2nnb s SER 332 Ca 0.06 -0.02 0.07 0.00 0.70 0.00 0.00 55.95 56.76 2nnb s SER 332 Cb -0.02 -1.27 -0.04 0.00 -1.71 0.00 0.00 66.02 62.98 2nnb s SER 332 CO -0.01 0.34 -0.15 -0.76 1.20 0.00 0.00 173.24 173.87 2nnb s LEU 333 N -0.68 2.51 0.06 3.45 1.43 0.36 -0.40 118.68 125.41 2nnb s LEU 333 Ca 0.10 -0.96 0.06 0.00 -1.03 0.00 0.00 54.13 52.30 2nnb s LEU 333 Cb -0.11 -0.65 -0.03 0.00 0.03 0.00 0.00 46.19 45.43 2nnb s LEU 333 CO 0.02 -0.16 -0.15 -0.72 0.23 0.00 0.00 176.35 175.56 2nnb s TYR 334 N -2.73 1.33 0.02 0.29 1.13 -0.27 -0.28 117.35 116.85 2nnb s TYR 334 Ca 0.19 -0.42 -0.30 0.00 -1.41 0.00 0.00 57.07 55.13 2nnb s TYR 334 Cb -0.02 -0.76 -0.06 0.00 -1.10 0.00 0.00 41.96 40.02 2nnb s TYR 334 CO 0.06 0.07 1.50 0.00 -2.51 0.00 0.00 175.55 174.67 2nnb s ALA 335 N -1.10 3.62 0.16 9.51 0.00 -0.17 -1.78 121.76 132.01 2nnb s ALA 335 Ca 0.01 1.00 -0.05 0.00 0.00 0.00 0.00 51.96 52.92 2nnb s ALA 335 Cb -0.09 -3.64 0.03 0.00 0.00 0.00 0.00 23.12 19.42 2nnb s ALA 335 CO 0.02 -1.01 1.43 0.87 0.00 0.00 0.00 175.76 177.08 2nnb h LYS 336 N 8.09 0.55 -4.40 0.00 1.57 -1.51 0.73 116.57 121.60 2nnb h LYS 336 Ca -0.39 -0.41 -0.18 0.00 -1.87 0.00 0.00 60.65 57.79 2nnb h LYS 336 Cb 1.19 0.07 -0.15 0.00 0.08 0.00 0.00 32.23 33.42 2nnb h LYS 336 CO 0.92 1.03 -0.62 -1.21 -0.57 0.00 0.00 179.45 178.99 2nnb s GLU 337 N -3.79 0.95 0.28 3.15 0.41 -1.26 -4.67 118.70 113.77 2nnb s GLU 337 Ca -0.07 -1.43 -0.29 0.00 -0.41 0.00 0.00 54.97 52.76 2nnb s GLU 337 Cb 0.10 0.25 -0.13 0.00 -1.78 0.00 0.00 34.13 32.57 2nnb s GLU 337 CO 0.86 -0.28 1.24 -0.25 -0.49 0.00 0.00 175.26 176.34 2nnb n ASP 338 N -0.11 2.25 -3.53 -0.19 9.92 -1.26 -4.09 116.55 119.54 2nnb n ASP 338 Ca -0.05 1.18 -0.08 0.00 -0.53 0.00 0.00 54.79 55.30 2nnb n ASP 338 Cb 0.64 -1.39 -0.02 0.00 -0.64 0.00 0.00 41.12 39.70 2nnb n ASP 338 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2nnb s THR 339 N -0.70 0.00 -0.19 -3.53 -1.32 -0.05 -4.90 115.64 104.94 2nnb s THR 339 Ca 0.61 -0.11 -0.04 0.00 -1.21 0.00 0.00 61.69 60.94 2nnb s THR 339 Cb -0.65 -1.16 -0.02 0.00 -1.51 0.00 0.00 72.50 69.16 2nnb s THR 339 CO 0.57 0.00 -0.03 -0.69 -2.21 0.00 0.00 174.62 172.26 2nnb s VAL 340 N -3.30 3.68 -0.18 5.08 1.01 -1.26 0.11 120.40 125.54 2nnb s VAL 340 Ca 0.05 -0.41 -0.21 0.00 0.00 0.00 0.00 61.98 61.41 2nnb s VAL 340 Cb -0.01 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 2nnb s VAL 340 CO -0.08 0.44 0.65 -0.22 0.00 0.00 0.00 175.10 175.89 2nnb s LEU 341 N 1.01 4.16 -1.47 3.92 2.96 0.15 -4.31 118.68 125.11 2nnb s LEU 341 Ca 0.01 0.89 -0.08 0.00 -0.22 0.00 0.00 54.13 54.73 2nnb s LEU 341 Cb -0.15 -2.93 0.02 0.00 0.50 0.00 0.00 46.19 43.64 2nnb s LEU 341 CO 0.01 -0.27 0.84 0.61 -1.32 0.00 0.00 176.35 176.23 2nnb n GLY 342 N 3.69 -0.53 3.32 7.98 0.00 -1.26 -1.29 105.19 117.11 2nnb n GLY 342 Ca -0.01 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.68 0.00 0.00 -0.02 0.00 -1.26 -4.67 105.19 97.56 2nnb n GLY 343 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.15 2.11 -3.96 1.61 1.02 -0.83 -5.03 120.64 115.40 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 0.29 -0.73 -0.15 0.00 -0.02 0.00 0.00 31.44 30.82 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 -1.37 3.27 0.15 -0.32 1.51 -0.41 -4.61 117.35 115.57 2nnb s TYR 345 Ca 0.00 -2.66 -0.31 0.00 -1.01 0.00 0.00 57.07 53.09 2nnb s TYR 345 Cb 0.00 -2.57 -0.08 0.00 -0.11 0.00 0.00 41.96 39.20 2nnb s TYR 345 CO 0.00 -0.92 1.35 -2.14 -1.11 0.00 0.00 175.55 172.73 2nnb s PRO 346 N 1.08 4.35 0.10 -1.71 0.02 -1.26 0.31 135.00 137.89 2nnb s PRO 346 Ca 0.09 2.06 0.09 0.00 0.02 0.00 0.00 61.00 63.25 2nnb s PRO 346 Cb -0.19 -3.23 -0.04 0.00 0.02 0.00 0.00 34.50 31.07 2nnb s PRO 346 CO -0.11 -0.35 -0.22 -0.51 -0.33 0.00 0.00 177.00 175.47 2nnb s LEU 347 N 0.56 2.29 0.17 -5.54 1.43 0.30 -4.91 118.68 112.99 2nnb s LEU 347 Ca 0.61 -0.69 -0.03 0.00 -1.03 0.00 0.00 54.13 53.00 2nnb s LEU 347 Cb -0.36 -0.97 -0.05 0.00 0.03 0.00 0.00 46.19 44.84 2nnb s LEU 347 CO 0.34 0.09 0.38 -1.61 0.23 0.00 0.00 176.35 175.78 2nnb s GLU 348 N -1.87 3.56 -0.13 1.70 2.02 -1.26 -0.87 118.70 121.85 2nnb s GLU 348 Ca 0.08 -0.22 -0.41 0.00 0.02 0.00 0.00 54.97 54.44 2nnb s GLU 348 Cb -0.10 -2.85 -0.18 0.00 0.10 0.00 0.00 34.13 31.10 2nnb s GLU 348 CO 0.04 0.43 1.37 1.17 0.02 0.00 0.00 175.26 178.30 2nnb n LYS 349 N -0.29 0.51 -0.21 1.61 4.81 -1.26 -0.89 118.16 122.44 2nnb n LYS 349 Ca -0.04 0.18 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 2nnb n LYS 349 Cb 0.53 -1.75 0.00 0.00 0.02 0.00 0.00 35.03 33.82 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 2.78 1.43 3.77 3.14 0.00 0.25 -4.96 105.19 111.60 2nnb n GLY 350 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.12 6.42 -0.03 1.61 1.01 -0.07 -4.60 116.67 117.90 2nnb s ASP 351 Ca 0.00 2.46 -0.08 0.00 0.71 0.00 0.00 52.55 55.64 2nnb s ASP 351 Cb 0.00 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 2nnb s ASP 351 CO 0.00 -0.75 0.25 -0.70 0.21 0.00 0.00 175.17 174.17 2nnb s GLU 352 N -2.28 3.59 0.06 8.23 2.12 -1.26 -1.00 118.70 128.16 2nnb s GLU 352 Ca 0.57 -0.02 0.09 0.00 0.36 0.00 0.00 54.97 55.97 2nnb s GLU 352 Cb -0.33 -3.14 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 2nnb s GLU 352 CO 0.42 0.70 -0.23 -0.51 -0.54 0.00 0.00 175.26 175.10 2nnb s LEU 353 N -1.43 2.40 -0.12 2.70 1.43 0.62 -2.61 118.68 121.66 2nnb s LEU 353 Ca 0.23 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 2nnb s LEU 353 Cb -0.13 -1.39 -0.01 0.00 0.03 0.00 0.00 46.19 44.69 2nnb s LEU 353 CO 0.12 0.24 -0.18 -0.32 0.23 0.00 0.00 176.35 176.45 2nnb s MET 354 N -1.48 3.24 -0.27 1.70 1.75 0.82 -0.49 119.30 124.56 2nnb s MET 354 Ca 0.14 -0.77 -0.15 0.00 -1.25 0.00 0.00 55.69 53.65 2nnb s MET 354 Cb -0.10 -2.50 -0.04 0.00 2.84 0.00 0.00 34.83 35.03 2nnb s MET 354 CO 0.04 0.18 0.40 0.08 -0.65 0.00 0.00 175.02 175.07 2nnb s VAL 355 N 0.41 5.15 -0.82 10.11 1.01 -0.21 -0.19 120.40 135.86 2nnb s VAL 355 Ca -0.13 0.63 -0.16 0.00 0.00 0.00 0.00 61.98 62.32 2nnb s VAL 355 Cb -0.17 -3.72 0.17 0.00 0.00 0.00 0.00 36.38 32.66 2nnb s VAL 355 CO 0.06 0.14 0.87 -0.22 0.00 0.00 0.00 175.10 175.95 2nnb s LEU 356 N 2.12 5.99 0.21 3.92 1.98 -0.63 -2.75 118.68 129.52 2nnb s LEU 356 Ca 0.16 -2.27 -0.08 0.00 -2.89 0.00 0.00 54.13 49.05 2nnb s LEU 356 Cb -0.16 -2.29 0.16 0.00 0.66 0.00 0.00 46.19 44.57 2nnb s LEU 356 CO 0.10 -0.82 1.81 0.40 -1.89 0.00 0.00 176.35 175.94 2nnb h ILE 357 N 5.33 1.25 -0.52 6.68 2.04 -1.42 -0.53 117.51 130.33 2nnb h ILE 357 Ca 0.05 -0.71 0.09 0.00 1.00 0.00 0.00 64.86 65.30 2nnb h ILE 357 Cb 1.04 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 2nnb h ILE 357 CO 0.93 0.30 0.35 -0.65 0.00 0.00 0.00 178.15 179.08 2nnb h PRO 358 N 1.13 0.29 0.23 2.37 0.11 -1.87 -1.17 132.00 133.10 2nnb h PRO 358 Ca 0.27 -0.02 -0.33 0.00 0.11 0.00 0.00 66.00 66.03 2nnb h PRO 358 Cb 0.12 -0.07 0.03 0.00 0.11 0.00 0.00 31.00 31.20 2nnb h PRO 358 CO -0.03 0.19 -1.50 1.96 -0.21 0.00 0.00 178.00 178.41 2nnb h GLN 359 N 0.30 0.49 -0.76 1.05 1.08 -1.44 -3.04 115.11 112.79 2nnb h GLN 359 Ca 0.24 -0.84 0.14 0.00 -1.45 0.00 0.00 58.65 56.74 2nnb h GLN 359 Cb 0.55 0.31 -0.09 0.00 -0.05 0.00 0.00 27.48 28.20 2nnb h GLN 359 CO -0.05 1.40 0.31 1.25 -0.95 0.00 0.00 178.83 180.78 2nnb h LEU 360 N 0.13 0.29 0.00 1.46 5.85 -0.76 -1.30 115.31 120.99 2nnb h LEU 360 Ca -0.26 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.57 2nnb h LEU 360 Cb 2.14 0.08 0.00 0.00 0.37 0.00 0.00 40.66 43.26 2nnb h LEU 360 CO 0.26 0.11 0.00 1.41 -0.34 0.00 0.00 178.44 179.87 2nnb n HIS 361 N -5.00 0.00 -0.56 1.25 8.25 -0.49 -1.92 115.22 116.76 2nnb n HIS 361 Ca 0.14 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.65 2nnb n HIS 361 Cb 0.42 -0.05 0.06 0.00 1.12 0.00 0.00 29.99 31.54 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 -1.05 2.07 -1.96 -0.41 1.74 -0.51 -4.85 116.66 111.69 2nnb n ARG 362 Ca 0.16 -1.93 -0.41 0.00 -0.77 0.00 0.00 57.85 54.90 2nnb n ARG 362 Cb 0.09 -1.19 -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 -1.80 5.61 0.51 0.55 -1.08 -0.81 -4.83 116.67 114.83 2nnb s ASP 363 Ca 0.14 1.06 0.23 0.00 -0.52 0.00 0.00 52.55 53.46 2nnb s ASP 363 Cb 0.12 -2.52 1.38 0.00 -1.46 0.00 0.00 42.92 40.44 2nnb s ASP 363 CO 0.01 -1.98 2.09 0.11 0.52 0.00 0.00 175.17 175.93 2nnb h LYS 364 N 14.00 0.00 0.00 4.34 1.57 -1.91 0.13 116.57 134.70 2nnb h LYS 364 Ca -0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 2nnb h LYS 364 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2nnb h LYS 364 CO 1.09 0.10 0.00 1.79 -0.57 0.00 0.00 179.45 181.86 2nnb h THR 365 N 0.00 0.00 0.01 -0.16 1.35 -1.88 -0.89 112.91 111.34 2nnb h THR 365 Ca -0.00 -0.36 -0.41 0.00 -0.55 0.00 0.00 66.41 65.08 2nnb h THR 365 Cb 0.23 1.21 -0.06 0.00 -1.73 0.00 0.00 68.15 67.80 2nnb h THR 365 CO 0.01 0.00 -2.40 -0.38 -0.25 0.00 0.00 175.52 172.50 2nnb n ILE 366 N -2.53 1.53 0.56 6.82 2.08 -0.08 -4.75 119.36 122.99 2nnb n ILE 366 Ca 0.02 -0.47 0.11 0.00 0.56 0.00 0.00 62.75 62.97 2nnb n ILE 366 Cb 0.28 -1.67 -0.08 0.00 -0.75 0.00 0.00 39.64 37.43 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 -3.74 0.10 -0.01 1.39 7.02 -0.52 -5.05 117.44 116.62 2nnb n TRP 367 Ca -0.48 0.03 0.00 0.00 -1.02 0.00 0.00 57.50 56.03 2nnb n TRP 367 Cb 0.94 -0.30 0.00 0.00 -2.42 0.00 0.00 31.31 29.53 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 1.39 -4.02 0.12 6.99 0.00 -0.34 -4.70 105.19 104.63 2nnb n GLY 368 Ca 0.01 -2.10 -0.00 0.00 0.00 0.00 0.00 46.02 43.93 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 0.00 1.61 3.45 -1.97 -3.35 116.42 116.16 2nnb h ASP 369 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2nnb h ASP 369 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 2nnb h ASP 369 CO 0.00 0.63 0.00 -0.90 -1.57 0.00 0.00 179.24 177.40 2nnb n ASP 370 N -3.26 1.48 0.13 6.45 5.75 -1.26 -4.61 116.55 121.22 2nnb n ASP 370 Ca 0.01 -1.15 0.15 0.00 -0.01 0.00 0.00 54.79 53.79 2nnb n ASP 370 Cb 0.79 -0.29 0.70 0.00 -1.03 0.00 0.00 41.12 41.29 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 0.33 0.79 0.00 2.12 -1.51 -1.88 0.85 116.25 116.96 2nnb h VAL 371 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2nnb h VAL 371 Cb 0.51 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 30.53 2nnb h VAL 371 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 175.72 2nnb n GLU 372 N -4.34 0.14 -3.04 5.19 -0.58 -1.26 -4.86 120.64 111.89 2nnb n GLU 372 Ca 0.04 0.01 -0.36 0.00 -0.42 0.00 0.00 57.16 56.42 2nnb n GLU 372 Cb 0.36 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.67 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 -2.85 4.33 -0.63 3.49 0.41 0.29 -5.00 118.70 118.74 2nnb s GLU 373 Ca 0.19 0.96 -0.22 0.00 -0.41 0.00 0.00 54.97 55.49 2nnb s GLU 373 Cb 0.19 -2.90 0.07 0.00 -1.78 0.00 0.00 34.13 29.71 2nnb s GLU 373 CO 0.49 0.39 0.92 0.12 -0.49 0.00 0.00 175.26 176.69 2nnb s PHE 374 N -1.51 2.74 -0.38 1.61 5.36 -1.26 -4.96 117.98 119.58 2nnb s PHE 374 Ca 0.44 -0.53 0.01 0.00 -0.96 0.00 0.00 56.93 55.88 2nnb s PHE 374 Cb -0.17 -4.20 0.14 0.00 -0.34 0.00 0.00 43.02 38.44 2nnb s PHE 374 CO 0.22 -1.55 0.22 0.50 -1.46 0.00 0.00 175.22 173.14 2nnb s ARG 375 N 3.84 0.79 0.61 10.12 3.52 -1.26 -4.99 118.95 131.58 2nnb s ARG 375 Ca 0.22 -1.54 0.37 0.00 -0.13 0.00 0.00 55.73 54.65 2nnb s ARG 375 Cb -0.17 -1.66 2.01 0.00 -1.56 0.00 0.00 34.95 33.57 2nnb s ARG 375 CO 0.11 -1.19 2.26 -1.35 -0.81 0.00 0.00 175.30 174.32 2nnb h PRO 376 N 6.96 0.00 -0.00 5.12 0.11 -1.93 -2.38 132.00 139.88 2nnb h PRO 376 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2nnb h PRO 376 Cb 0.96 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 2nnb h PRO 376 CO 0.34 0.02 0.02 0.93 -0.21 0.00 0.00 178.00 179.10 2nnb h GLU 377 N 0.00 0.00 0.00 1.05 3.07 -1.94 -0.72 114.58 116.04 2nnb h GLU 377 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2nnb h GLU 377 Cb 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 2nnb h GLU 377 CO 0.00 0.00 0.07 0.07 -1.40 0.00 0.00 179.01 177.76 2nnb h ARG 378 N 0.00 0.00 -0.57 2.33 0.11 -1.84 -0.45 114.38 113.96 2nnb h ARG 378 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2nnb h ARG 378 Cb 0.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.13 2nnb h ARG 378 CO -0.00 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.26 2nnb n PHE 379 N -2.74 1.76 -0.12 4.08 3.01 -0.28 -4.65 117.46 118.52 2nnb n PHE 379 Ca -0.02 -0.70 -0.05 0.00 1.01 0.00 0.00 57.45 57.69 2nnb n PHE 379 Cb 0.12 -0.40 0.01 0.00 -0.01 0.00 0.00 39.48 39.21 2nnb n PHE 379 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2nnb h GLU 380 N 3.79 -0.07 -3.46 -1.08 5.08 -1.23 -3.32 114.58 114.30 2nnb h GLU 380 Ca 0.00 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.71 2nnb h GLU 380 Cb 1.74 0.02 -0.40 0.00 0.50 0.00 0.00 28.75 30.61 2nnb h GLU 380 CO 0.38 -0.05 -0.59 1.21 -1.00 0.00 0.00 179.01 178.96 2nnb s ASN 381 N -5.17 4.49 0.09 1.42 2.47 -1.26 -5.00 114.94 111.98 2nnb s ASN 381 Ca -0.14 -2.96 0.11 0.00 0.42 0.00 0.00 52.86 50.28 2nnb s ASN 381 Cb 0.15 -1.68 0.50 0.00 -1.45 0.00 0.00 41.25 38.77 2nnb s ASN 381 CO 0.70 -0.26 1.33 -2.65 -3.72 0.00 0.00 177.10 172.51 2nnb n PRO 382 N 3.20 0.05 0.00 0.43 -0.02 -1.25 -1.84 135.00 135.57 2nnb n PRO 382 Ca 0.05 0.46 0.11 0.00 -2.02 0.00 0.00 63.50 62.10 2nnb n PRO 382 Cb 0.33 -1.64 0.09 0.00 -0.02 0.00 0.00 33.50 32.27 2nnb n PRO 382 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2nnb n SER 383 N -1.74 0.81 -0.20 2.55 7.64 -1.26 -3.55 113.62 117.87 2nnb n SER 383 Ca 0.01 -0.66 -0.05 0.00 1.01 0.00 0.00 58.87 59.18 2nnb n SER 383 Cb 0.08 0.57 0.05 0.00 -1.01 0.00 0.00 64.21 63.90 2nnb n SER 383 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nnb h ALA 384 N 3.08 0.76 -2.45 -0.43 0.00 -1.79 -3.44 119.26 114.97 2nnb h ALA 384 Ca 0.00 -0.02 -0.54 0.00 0.00 0.00 0.00 54.91 54.35 2nnb h ALA 384 Cb 0.51 -0.18 0.04 0.00 0.00 0.00 0.00 17.79 18.16 2nnb h ALA 384 CO 0.00 0.10 1.08 -0.89 0.00 0.00 0.00 179.25 179.55 2nnb n ILE 385 N -4.74 0.34 -2.02 0.00 2.08 -1.23 -4.91 119.36 108.88 2nnb n ILE 385 Ca 0.05 -0.06 -0.37 0.00 0.56 0.00 0.00 62.75 62.92 2nnb n ILE 385 Cb 0.07 -2.06 0.02 0.00 -0.75 0.00 0.00 39.64 36.92 2nnb n ILE 385 CO 0.00 0.00 0.00 -2.84 0.56 0.00 0.00 176.55 174.27 2nnb s PRO 386 N 2.63 3.36 0.12 0.38 0.02 -1.26 -4.92 135.00 135.33 2nnb s PRO 386 Ca 0.82 1.97 -0.34 0.00 0.02 0.00 0.00 61.00 63.48 2nnb s PRO 386 Cb -0.51 -2.26 -0.17 0.00 0.02 0.00 0.00 34.50 31.58 2nnb s PRO 386 CO 0.38 -0.94 0.96 0.94 -0.33 0.00 0.00 177.00 178.02 2nnb n GLN 387 N -0.91 0.46 -1.33 5.54 7.27 -1.26 -1.46 117.38 125.69 2nnb n GLN 387 Ca 0.10 0.16 -0.12 0.00 0.07 0.00 0.00 57.00 57.21 2nnb n GLN 387 Cb 0.47 -1.53 -0.05 0.00 2.41 0.00 0.00 30.24 31.54 2nnb n GLN 387 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2nnb n HIS 388 N 1.10 -0.03 0.12 3.69 8.25 -1.26 -4.84 115.22 122.25 2nnb n HIS 388 Ca 0.18 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.65 2nnb n HIS 388 Cb 0.19 -2.80 -0.00 0.00 1.12 0.00 0.00 29.99 28.50 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 0.06 0.65 -3.35 -1.41 0.00 -1.61 -3.44 119.26 110.17 2nnb h ALA 389 Ca -0.25 -0.54 -0.57 0.00 0.00 0.00 0.00 54.91 53.55 2nnb h ALA 389 Cb 1.16 -0.03 -0.39 0.00 0.00 0.00 0.00 17.79 18.53 2nnb h ALA 389 CO 0.36 0.70 -0.76 0.12 0.00 0.00 0.00 179.25 179.67 2nnb s PHE 390 N -2.95 1.78 -0.37 0.00 5.36 -1.26 -4.53 117.98 116.02 2nnb s PHE 390 Ca 0.03 -1.53 0.14 0.00 -0.96 0.00 0.00 56.93 54.60 2nnb s PHE 390 Cb 0.08 -1.52 0.43 0.00 -0.34 0.00 0.00 43.02 41.67 2nnb s PHE 390 CO 0.76 -0.77 0.96 1.63 -1.46 0.00 0.00 175.22 176.34 2nnb n LYS 391 N 4.83 1.76 0.28 10.12 5.02 -1.26 -4.88 118.16 134.03 2nnb n LYS 391 Ca -0.07 -3.63 0.18 0.00 -2.02 0.00 0.00 58.31 52.77 2nnb n LYS 391 Cb 0.44 -1.57 0.70 0.00 -0.02 0.00 0.00 35.03 34.58 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 2.90 0.00 -0.50 1.97 0.13 -1.96 -2.11 132.00 132.43 2nnb h PRO 392 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2nnb h PRO 392 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2nnb h PRO 392 CO 0.60 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.56 2nnb n PHE 393 N -3.08 1.60 -3.94 1.56 3.01 -1.26 -4.76 117.46 110.58 2nnb n PHE 393 Ca 0.00 -0.73 0.00 0.00 1.01 0.00 0.00 57.45 57.73 2nnb n PHE 393 Cb 0.30 -0.38 0.00 0.00 -0.01 0.00 0.00 39.48 39.38 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 0.44 -1.11 2.99 1.37 0.00 -0.79 -0.49 105.19 107.60 2nnb n GLY 394 Ca 0.25 -1.25 -0.19 0.00 0.00 0.00 0.00 46.02 44.83 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 1.08 0.98 1.61 3.84 -1.26 -4.81 114.94 112.38 2nnb s ASN 395 Ca 0.00 -0.16 0.00 0.00 0.21 0.00 0.00 52.86 52.91 2nnb s ASN 395 Cb 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 41.25 40.45 2nnb s ASN 395 CO 0.00 0.07 0.00 0.61 -2.79 0.00 0.00 177.10 174.99 2nnb n GLY 396 N 3.21 2.62 0.09 1.21 0.00 -1.26 -1.46 105.19 109.59 2nnb n GLY 396 Ca -0.17 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.56 2nnb n GLY 396 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nnb n GLN 397 N 11.51 0.17 -0.76 1.61 10.64 -1.26 -1.13 117.38 138.16 2nnb n GLN 397 Ca 0.00 0.26 0.08 0.00 -1.83 0.00 0.00 57.00 55.51 2nnb n GLN 397 Cb 0.00 -1.75 0.38 0.00 -0.86 0.00 0.00 30.24 28.01 2nnb n GLN 397 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2nnb n ARG 398 N -2.05 4.34 -1.34 2.61 5.12 -0.92 -4.96 116.66 119.47 2nnb n ARG 398 Ca 0.04 -3.04 -0.29 0.00 -1.93 0.00 0.00 57.85 52.63 2nnb n ARG 398 Cb 0.31 -2.10 0.18 0.00 -1.16 0.00 0.00 32.46 29.70 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 -2.41 1.23 -0.12 7.54 0.00 -0.28 -4.39 121.76 123.33 2nnb s ALA 399 Ca 0.52 -0.68 -0.29 0.00 0.00 0.00 0.00 51.96 51.51 2nnb s ALA 399 Cb 0.38 -2.98 -0.05 0.00 0.00 0.00 0.00 23.12 20.47 2nnb s ALA 399 CO 0.19 -2.85 1.68 0.00 0.00 0.00 0.00 175.76 174.78 2nnb h ILE 401 N 5.88 0.39 -0.09 0.00 2.10 -1.91 -2.89 117.51 120.99 2nnb h ILE 401 Ca -0.38 -0.82 0.00 0.00 1.08 0.00 0.00 64.86 64.75 2nnb h ILE 401 Cb 1.17 1.60 0.00 0.00 -1.09 0.00 0.00 36.82 38.50 2nnb h ILE 401 CO 0.97 0.14 0.00 0.61 -1.08 0.00 0.00 178.15 178.79 2nnb n GLY 402 N -0.07 -0.48 0.07 8.18 0.00 -1.26 -4.54 105.19 107.09 2nnb n GLY 402 Ca -0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 0.76 0.12 -0.67 1.61 3.64 -1.84 0.22 116.57 120.41 2nnb h LYS 403 Ca 0.00 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 2nnb h LYS 403 Cb 0.17 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 2nnb h LYS 403 CO 0.00 0.12 0.20 1.96 -2.27 0.00 0.00 179.45 179.46 2nnb h GLN 404 N 0.09 1.04 -0.30 1.90 7.50 -1.80 -1.75 115.11 121.79 2nnb h GLN 404 Ca 0.03 -0.22 -0.03 0.00 0.50 0.00 0.00 58.65 58.94 2nnb h GLN 404 Cb 0.03 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.39 2nnb h GLN 404 CO -0.01 0.90 0.08 0.35 -1.50 0.00 0.00 178.83 178.65 2nnb h PHE 405 N 1.00 0.51 -0.55 2.96 3.04 -1.56 -0.25 116.94 122.09 2nnb h PHE 405 Ca 0.22 -0.06 0.01 0.00 3.98 0.00 0.00 57.97 62.12 2nnb h PHE 405 Cb 0.30 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.64 2nnb h PHE 405 CO 0.02 0.54 0.35 0.00 -2.02 0.00 0.00 178.31 177.21 2nnb h ALA 406 N 0.91 0.69 -0.02 2.41 0.00 -0.45 -0.93 119.26 121.86 2nnb h ALA 406 Ca 0.10 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 2nnb h ALA 406 Cb 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2nnb h ALA 406 CO 0.00 0.11 -0.79 -0.07 0.00 0.00 0.00 179.25 178.50 2nnb h LEU 407 N 0.72 0.30 -0.08 0.00 3.38 -1.21 -1.02 115.31 117.39 2nnb h LEU 407 Ca 0.20 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2nnb h LEU 407 Cb -0.06 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2nnb h LEU 407 CO -0.06 0.97 -0.03 -0.74 0.09 0.00 0.00 178.44 178.68 2nnb h HIS 408 N 0.15 0.19 -0.02 1.13 2.76 -0.89 0.63 115.15 119.09 2nnb h HIS 408 Ca -0.03 -0.04 0.03 0.00 -2.20 0.00 0.00 60.37 58.13 2nnb h HIS 408 Cb 1.38 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 30.25 2nnb h HIS 408 CO 0.03 0.50 -0.23 1.49 -1.30 0.00 0.00 177.93 178.42 2nnb h GLU 409 N -0.18 -0.34 -0.17 5.26 4.57 -1.14 0.13 114.58 122.72 2nnb h GLU 409 Ca 0.02 0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.10 2nnb h GLU 409 Cb 0.44 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 2nnb h GLU 409 CO 0.01 -0.23 -0.42 0.00 -1.18 0.00 0.00 179.01 177.19 2nnb h ALA 410 N 0.51 0.95 -0.14 2.92 0.00 -1.08 -0.49 119.26 121.94 2nnb h ALA 410 Ca 0.07 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 2nnb h ALA 410 Cb 0.45 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2nnb h ALA 410 CO -0.22 0.63 -0.13 1.15 0.00 0.00 0.00 179.25 180.68 2nnb h THR 411 N 0.33 1.35 -0.19 0.00 2.02 -0.71 -0.97 112.91 114.73 2nnb h THR 411 Ca 0.03 -1.28 0.05 0.00 0.77 0.00 0.00 66.41 65.98 2nnb h THR 411 Cb 0.88 1.89 -0.06 0.00 -1.74 0.00 0.00 68.15 69.12 2nnb h THR 411 CO 0.07 0.37 -0.19 0.25 0.37 0.00 0.00 175.52 176.39 2nnb h LEU 412 N -0.05 -0.62 -0.10 2.58 5.85 -0.85 -1.06 115.31 121.06 2nnb h LEU 412 Ca 0.02 0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 2nnb h LEU 412 Cb 0.65 0.30 0.00 0.00 0.37 0.00 0.00 40.66 41.98 2nnb h LEU 412 CO 0.03 -0.24 -0.27 0.58 -0.34 0.00 0.00 178.44 178.21 2nnb h VAL 413 N -0.22 1.40 -0.86 1.05 2.07 -1.00 -0.67 116.25 118.04 2nnb h VAL 413 Ca 0.12 -1.60 0.01 0.00 0.82 0.00 0.00 66.70 66.05 2nnb h VAL 413 Cb 0.40 2.18 -0.04 0.00 -1.52 0.00 0.00 31.29 32.30 2nnb h VAL 413 CO -0.32 0.46 0.57 0.25 0.02 0.00 0.00 177.57 178.55 2nnb h LEU 414 N -0.10 0.98 -0.15 2.57 5.85 -1.24 0.35 115.31 123.56 2nnb h LEU 414 Ca -0.01 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.72 2nnb h LEU 414 Cb 0.88 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 2nnb h LEU 414 CO 0.06 0.71 -0.04 1.23 -0.34 0.00 0.00 178.44 180.06 2nnb h GLY 415 N 1.16 0.10 0.89 3.75 0.00 -1.08 -0.57 103.07 107.32 2nnb h GLY 415 Ca 0.31 0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.72 2nnb h GLY 415 CO -0.07 -0.06 0.44 -0.33 0.00 0.00 0.00 176.54 176.52 2nnb h MET 416 N -0.01 0.85 -0.68 4.80 2.86 -0.47 -0.61 114.93 121.67 2nnb h MET 416 Ca 0.07 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.70 2nnb h MET 416 Cb 0.12 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.54 2nnb h MET 416 CO -0.16 0.56 0.42 0.52 1.06 0.00 0.00 176.91 179.31 2nnb h MET 417 N 0.87 0.78 0.00 1.72 2.07 -0.53 -1.53 114.93 118.31 2nnb h MET 417 Ca 0.28 -0.05 -0.07 0.00 -2.07 0.00 0.00 59.70 57.79 2nnb h MET 417 Cb 0.00 -0.18 -0.01 0.00 -1.87 0.00 0.00 31.60 29.55 2nnb h MET 417 CO -0.10 0.52 -0.34 -0.07 1.07 0.00 0.00 176.91 177.98 2nnb h LEU 418 N 0.80 0.00 -0.17 1.22 3.38 -0.77 -1.74 115.31 118.04 2nnb h LEU 418 Ca 0.28 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.02 2nnb h LEU 418 Cb 0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.81 2nnb h LEU 418 CO -0.12 0.34 -0.78 0.50 0.09 0.00 0.00 178.44 178.47 2nnb h LYS 419 N 0.00 0.79 0.00 1.13 3.64 -0.72 -3.39 116.57 118.02 2nnb h LYS 419 Ca -0.00 -0.64 -0.03 0.00 -1.27 0.00 0.00 60.65 58.70 2nnb h LYS 419 Cb 1.03 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 2nnb h LYS 419 CO 0.04 1.25 -1.46 0.72 -2.27 0.00 0.00 179.45 177.74 2nnb n HIS 420 N -3.93 0.59 -4.13 1.91 8.25 -0.61 -4.86 115.22 112.45 2nnb n HIS 420 Ca -0.07 0.18 -0.13 0.00 -0.26 0.00 0.00 57.72 57.43 2nnb n HIS 420 Cb 0.75 -0.82 -0.11 0.00 1.12 0.00 0.00 29.99 30.93 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 -3.33 0.89 0.05 4.41 0.08 -0.67 -0.58 117.98 118.82 2nnb s PHE 421 Ca -0.04 -0.63 -0.07 0.00 0.12 0.00 0.00 56.93 56.31 2nnb s PHE 421 Cb 0.11 -0.51 -0.05 0.00 -0.57 0.00 0.00 43.02 42.00 2nnb s PHE 421 CO 0.84 -0.06 0.33 -0.51 -0.10 0.00 0.00 175.22 175.71 2nnb s ASP 422 N -2.17 6.55 0.02 1.36 1.01 -0.02 -4.63 116.67 118.79 2nnb s ASP 422 Ca 0.00 0.64 0.06 0.00 0.71 0.00 0.00 52.55 53.96 2nnb s ASP 422 Cb -0.05 -2.12 -0.03 0.00 1.01 0.00 0.00 42.92 41.73 2nnb s ASP 422 CO -0.01 0.20 -0.16 -0.36 0.21 0.00 0.00 175.17 175.06 2nnb s PHE 423 N -1.37 2.63 -0.09 4.23 0.40 -1.26 -0.18 117.98 122.33 2nnb s PHE 423 Ca 0.31 -0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.44 2nnb s PHE 423 Cb -0.13 -1.51 0.02 0.00 0.51 0.00 0.00 43.02 41.90 2nnb s PHE 423 CO 0.18 0.25 -0.12 -2.00 0.70 0.00 0.00 175.22 174.23 2nnb s GLU 424 N -1.31 1.86 -1.32 0.44 2.12 -0.19 -4.98 118.70 115.32 2nnb s GLU 424 Ca 0.14 -0.43 -0.14 0.00 0.36 0.00 0.00 54.97 54.90 2nnb s GLU 424 Cb -0.11 -1.63 0.11 0.00 0.26 0.00 0.00 34.13 32.76 2nnb s GLU 424 CO 0.05 -0.07 1.83 -3.47 -0.54 0.00 0.00 175.26 173.05 2nnb n ASP 425 N 4.22 4.76 0.11 -1.70 2.03 -1.26 -1.32 116.55 123.39 2nnb n ASP 425 Ca -0.19 -2.95 0.12 0.00 0.52 0.00 0.00 54.79 52.29 2nnb n ASP 425 Cb 0.51 -1.63 0.46 0.00 -0.72 0.00 0.00 41.12 39.74 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 6.23 0.76 0.69 -0.67 1.44 -1.26 -1.82 115.22 120.59 2nnb n HIS 426 Ca 0.45 0.27 0.09 0.00 -2.01 0.00 0.00 57.72 56.52 2nnb n HIS 426 Cb 0.41 -0.94 0.10 0.00 0.12 0.00 0.00 29.99 29.68 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 -2.17 0.09 -3.84 0.61 -2.24 -1.26 -4.96 114.28 100.52 2nnb n THR 427 Ca 0.04 -0.55 -0.35 0.00 -2.27 0.00 0.00 64.05 60.92 2nnb n THR 427 Cb 0.29 1.31 0.03 0.00 -2.10 0.00 0.00 70.33 69.86 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 1.08 -4.22 -4.64 3.42 5.15 -0.75 -4.78 115.26 110.51 2nnb n ASN 428 Ca 0.12 -1.10 -0.47 0.00 -0.60 0.00 0.00 54.58 52.53 2nnb n ASN 428 Cb 0.48 -2.83 -0.04 0.00 -0.53 0.00 0.00 39.78 36.86 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 -4.46 1.91 -3.58 1.20 9.36 -1.26 -4.96 117.16 115.36 2nnb n TYR 429 Ca -0.13 0.48 -0.38 0.00 3.32 0.00 0.00 57.90 61.19 2nnb n TYR 429 Cb 0.60 -2.42 -0.11 0.00 -0.63 0.00 0.00 39.34 36.78 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 -0.08 3.92 -0.01 2.98 2.12 -1.26 -5.04 118.70 121.33 2nnb s GLU 430 Ca 0.73 -0.34 -0.34 0.00 0.36 0.00 0.00 54.97 55.37 2nnb s GLU 430 Cb -0.73 -3.67 -0.13 0.00 0.26 0.00 0.00 34.13 29.86 2nnb s GLU 430 CO 0.48 -0.20 1.76 -0.11 -0.54 0.00 0.00 175.26 176.65 2nnb n LEU 431 N 5.06 3.21 -3.76 2.70 7.94 -1.26 -4.95 117.00 125.94 2nnb n LEU 431 Ca -0.14 1.02 -0.28 0.00 -1.11 0.00 0.00 56.01 55.50 2nnb n LEU 431 Cb 0.52 -1.37 -0.16 0.00 0.53 0.00 0.00 43.42 42.94 2nnb n LEU 431 CO 0.33 -0.19 -0.37 -0.62 -1.11 0.00 0.00 177.39 175.44 2nnb s ASP 432 N 2.92 3.10 -0.48 1.96 2.15 -1.26 -5.08 116.67 119.98 2nnb s ASP 432 Ca 0.88 -0.93 -0.22 0.00 0.43 0.00 0.00 52.55 52.72 2nnb s ASP 432 Cb -0.72 -0.68 0.04 0.00 -0.30 0.00 0.00 42.92 41.26 2nnb s ASP 432 CO 0.48 -0.31 0.74 -0.63 -0.17 0.00 0.00 175.17 175.28 2nnb s ILE 433 N 1.79 4.70 0.13 4.11 1.01 -1.26 -0.68 121.20 131.00 2nnb s ILE 433 Ca -0.01 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.40 2nnb s ILE 433 Cb -0.17 -4.33 -0.06 0.00 0.01 0.00 0.00 42.46 37.90 2nnb s ILE 433 CO -0.09 -0.80 0.95 -0.75 0.00 0.00 0.00 174.94 174.25 2nnb s LYS 434 N 3.13 4.72 -0.18 2.79 2.20 -0.25 -4.88 119.74 127.27 2nnb s LYS 434 Ca 0.24 1.45 -0.05 0.00 -0.36 0.00 0.00 55.97 57.25 2nnb s LYS 434 Cb -0.15 -3.36 -0.03 0.00 -1.51 0.00 0.00 37.83 32.78 2nnb s LYS 434 CO 0.18 0.26 -0.00 -1.21 -0.36 0.00 0.00 175.35 174.22 2nnb s GLU 435 N -0.17 3.73 0.00 4.03 2.02 -1.26 -2.20 118.70 124.85 2nnb s GLU 435 Ca 0.46 -0.48 0.00 0.00 0.02 0.00 0.00 54.97 54.97 2nnb s GLU 435 Cb -0.24 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 30.96 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 3.75 0.00 0.24 3.63 -2.24 -1.26 -4.90 114.28 113.50 2nnb n THR 436 Ca -0.17 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.68 2nnb n THR 436 Cb 0.52 0.00 0.58 0.00 -2.10 0.00 0.00 70.33 69.33 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 -1.96 -3.46 115.31 118.96 2nnb h LEU 437 Ca 0.00 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.47 2nnb h LEU 437 Cb 0.00 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 2nnb h LEU 437 CO 0.00 0.13 -0.20 0.35 -0.34 0.00 0.00 178.44 178.39 2nnb n THR 438 N -4.24 0.00 -4.70 1.05 -2.24 -1.26 -4.69 114.28 98.20 2nnb n THR 438 Ca -0.02 -1.00 -0.30 0.00 -2.27 0.00 0.00 64.05 60.45 2nnb n THR 438 Cb 0.21 0.31 -0.14 0.00 -2.10 0.00 0.00 70.33 68.61 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 2.33 0.04 3.22 1.43 -0.75 -4.33 118.68 120.61 2nnb s LEU 439 Ca 0.06 -0.59 -0.25 0.00 -1.03 0.00 0.00 54.13 52.32 2nnb s LEU 439 Cb 0.00 -1.33 0.06 0.00 0.03 0.00 0.00 46.19 44.95 2nnb s LEU 439 CO 0.04 0.23 0.57 -1.59 0.23 0.00 0.00 176.35 175.84 2nnb s LYS 440 N -1.53 1.07 -1.01 1.70 -2.85 -0.93 -4.62 119.74 111.57 2nnb s LYS 440 Ca 0.13 -0.13 -0.21 0.00 -1.00 0.00 0.00 55.97 54.76 2nnb s LYS 440 Cb -0.10 0.50 0.08 0.00 -2.06 0.00 0.00 37.83 36.24 2nnb s LYS 440 CO 0.04 -0.39 1.36 -1.25 0.10 0.00 0.00 175.35 175.22 2nnb s PRO 441 N -2.27 3.62 0.27 1.78 0.04 -1.26 -1.09 135.00 136.09 2nnb s PRO 441 Ca -0.06 -1.37 -0.30 0.00 0.04 0.00 0.00 61.00 59.30 2nnb s PRO 441 Cb -0.01 -5.23 -0.12 0.00 0.04 0.00 0.00 34.50 29.18 2nnb s PRO 441 CO -0.00 -2.07 1.49 -1.91 0.04 0.00 0.00 177.00 174.55 2nnb n GLU 442 N 8.11 2.36 -0.98 4.56 2.13 0.14 -2.28 120.64 134.69 2nnb n GLU 442 Ca 0.31 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.97 2nnb n GLU 442 Cb 0.50 -2.55 0.00 0.00 0.27 0.00 0.00 31.44 29.66 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 2.05 0.45 3.68 8.31 0.00 -1.26 -4.54 105.19 113.88 2nnb n GLY 443 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.02 2.25 0.06 1.61 5.36 -0.96 -4.97 117.98 119.30 2nnb s PHE 444 Ca 0.00 0.22 0.04 0.00 -0.96 0.00 0.00 56.93 56.23 2nnb s PHE 444 Cb 0.00 -3.99 -0.03 0.00 -0.34 0.00 0.00 43.02 38.66 2nnb s PHE 444 CO 0.00 -4.05 -0.11 0.14 -1.46 0.00 0.00 175.22 169.73 2nnb s VAL 445 N 3.00 0.84 0.23 3.12 -7.23 -1.26 -1.69 120.40 117.41 2nnb s VAL 445 Ca 0.75 -1.21 -0.05 0.00 -1.81 0.00 0.00 61.98 59.67 2nnb s VAL 445 Cb -0.39 -0.86 -0.03 0.00 0.56 0.00 0.00 36.38 35.66 2nnb s VAL 445 CO 0.33 -0.30 0.27 0.68 -0.31 0.00 0.00 175.10 175.76 2nnb s VAL 446 N -1.34 0.00 -0.01 1.32 -7.23 -0.91 -4.63 120.40 107.60 2nnb s VAL 446 Ca -0.06 -1.78 0.04 0.00 -1.81 0.00 0.00 61.98 58.37 2nnb s VAL 446 Cb -0.10 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.40 2nnb s VAL 446 CO 0.01 0.00 -0.10 -0.54 -0.31 0.00 0.00 175.10 174.16 2nnb s LYS 447 N -4.04 2.47 -0.12 4.82 1.02 -0.43 -0.42 119.74 123.04 2nnb s LYS 447 Ca 0.33 -0.75 0.03 0.00 0.02 0.00 0.00 55.97 55.60 2nnb s LYS 447 Cb 0.04 -2.43 0.01 0.00 -0.52 0.00 0.00 37.83 34.93 2nnb s LYS 447 CO 0.12 0.60 -0.22 0.00 -0.92 0.00 0.00 175.35 174.93 2nnb s ALA 448 N -0.92 2.13 -0.23 5.17 0.00 -1.26 -1.02 121.76 125.62 2nnb s ALA 448 Ca 0.15 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 51.06 2nnb s ALA 448 Cb -0.11 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 2nnb s ALA 448 CO 0.05 0.10 0.04 0.15 0.00 0.00 0.00 175.76 176.10 2nnb s LYS 449 N 0.64 3.62 0.35 0.00 1.02 0.75 -4.94 119.74 121.18 2nnb s LYS 449 Ca -0.12 -0.50 -0.28 0.00 0.02 0.00 0.00 55.97 55.08 2nnb s LYS 449 Cb -0.16 -3.22 -0.11 0.00 -0.52 0.00 0.00 37.83 33.82 2nnb s LYS 449 CO 0.03 -0.13 1.45 0.45 -0.92 0.00 0.00 175.35 176.23 2nnb s SER 450 N 1.41 6.47 0.00 2.83 0.15 -1.26 -0.84 113.70 122.45 2nnb s SER 450 Ca 0.05 2.93 0.23 0.00 0.70 0.00 0.00 55.95 59.87 2nnb s SER 450 Cb -0.15 -2.66 0.91 0.00 -1.71 0.00 0.00 66.02 62.41 2nnb s SER 450 CO 0.02 -0.78 1.64 0.29 1.20 0.00 0.00 173.24 175.61 2nnb n LYS 451 N 0.76 1.62 -3.93 5.44 5.02 0.25 -4.86 118.16 122.47 2nnb n LYS 451 Ca 0.02 -0.93 -0.26 0.00 -2.02 0.00 0.00 58.31 55.12 2nnb n LYS 451 Cb 0.40 -1.41 -0.01 0.00 -0.02 0.00 0.00 35.03 33.98 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 0.14 -3.67 -3.75 1.97 5.02 -1.26 -4.98 118.16 111.63 2nnb n LYS 452 Ca 0.17 0.45 -0.36 0.00 -2.02 0.00 0.00 58.31 56.55 2nnb n LYS 452 Cb 0.31 -4.73 -0.07 0.00 -0.02 0.00 0.00 35.03 30.51 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 -3.83 5.42 0.28 -0.18 1.01 -1.26 -5.06 121.20 117.58 2nnb s ILE 453 Ca 0.09 0.25 -0.29 0.00 0.00 0.00 0.00 60.65 60.71 2nnb s ILE 453 Cb -0.05 -3.47 -0.14 0.00 0.01 0.00 0.00 42.46 38.81 2nnb s ILE 453 CO 0.88 0.49 1.19 -2.65 0.00 0.00 0.00 174.94 174.85 2nnb n PRO 454 N 3.02 1.70 0.00 2.79 -0.02 -1.26 -5.02 135.00 136.21 2nnb n PRO 454 Ca -0.17 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2nnb n PRO 454 Cb 0.53 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 2nnb n PRO 454 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37