#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a1h s SER 4 N 0.00 5.19 0.49 6.43 0.15 -1.26 -3.70 113.70 121.00 2a1h s SER 4 Ca 0.00 2.00 -0.20 0.00 0.70 0.00 0.00 55.95 58.45 2a1h s SER 4 Cb 0.00 -2.55 -0.08 0.00 -1.71 0.00 0.00 66.02 61.68 2a1h s SER 4 CO 0.00 -1.57 1.05 0.72 1.20 0.00 0.00 173.24 174.64 2a1h s PHE 5 N -2.30 2.98 -0.01 3.44 -0.12 -1.26 -4.93 117.98 115.77 2a1h s PHE 5 Ca 0.67 1.58 0.05 0.00 -0.05 0.00 0.00 56.93 59.18 2a1h s PHE 5 Cb -0.20 -3.09 -0.03 0.00 -0.63 0.00 0.00 43.02 39.07 2a1h s PHE 5 CO 0.40 -0.89 -0.17 0.15 -0.05 0.00 0.00 175.22 174.66 2a1h s LYS 6 N -3.20 2.30 0.50 1.99 -0.14 -1.26 -4.79 119.74 115.13 2a1h s LYS 6 Ca 0.67 -0.83 0.27 0.00 -1.36 0.00 0.00 55.97 54.73 2a1h s LYS 6 Cb -0.17 -2.27 1.26 0.00 -1.68 0.00 0.00 37.83 34.97 2a1h s LYS 6 CO 0.21 0.59 1.97 0.00 -0.76 0.00 0.00 175.35 177.36 2a1h h ALA 7 N 5.07 1.13 0.00 5.17 0.00 -1.97 -2.22 119.26 126.45 2a1h h ALA 7 Ca -0.46 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2a1h h ALA 7 Cb 1.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2a1h h ALA 7 CO 0.49 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.93 2a1h h ALA 8 N 1.85 1.00 -0.63 0.00 0.00 -1.96 -2.52 119.26 117.00 2a1h h ALA 8 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2a1h h ALA 8 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2a1h h ALA 8 CO 0.02 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.02 2a1h n ASP 9 N -3.04 3.55 -4.72 0.00 10.43 -0.84 -5.01 116.55 116.93 2a1h n ASP 9 Ca 0.00 -1.99 -0.42 0.00 2.57 0.00 0.00 54.79 54.95 2a1h n ASP 9 Cb 0.28 -0.42 -0.03 0.00 1.84 0.00 0.00 41.12 42.79 2a1h n ASP 9 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 2a1h n LEU 10 N 1.46 4.00 -4.87 0.64 7.94 -0.95 -4.41 117.00 120.82 2a1h n LEU 10 Ca 0.22 1.08 -0.37 0.00 -1.11 0.00 0.00 56.01 55.83 2a1h n LEU 10 Cb 0.57 -1.57 -0.06 0.00 0.53 0.00 0.00 43.42 42.89 2a1h n LEU 10 CO 0.15 0.14 -0.07 -1.10 -1.11 0.00 0.00 177.39 175.40 2a1h s GLN 11 N 0.77 3.60 -0.17 1.96 -0.21 -0.18 -5.00 119.66 120.44 2a1h s GLN 11 Ca 0.73 0.05 0.01 0.00 0.02 0.00 0.00 55.36 56.17 2a1h s GLN 11 Cb -0.52 -3.19 0.02 0.00 1.00 0.00 0.00 33.01 30.32 2a1h s GLN 11 CO 0.36 0.75 -0.19 -0.51 -2.12 0.00 0.00 175.29 173.58 2a1h s LEU 12 N -1.08 2.02 -0.29 2.90 1.43 -1.26 -0.49 118.68 121.91 2a1h s LEU 12 Ca 0.18 -0.60 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 2a1h s LEU 12 Cb -0.14 -1.40 0.09 0.00 0.03 0.00 0.00 46.19 44.78 2a1h s LEU 12 CO 0.08 -0.00 0.07 -0.70 0.23 0.00 0.00 176.35 176.03 2a1h s GLU 13 N 1.26 0.81 0.48 1.70 2.12 -0.19 -5.01 118.70 119.88 2a1h s GLU 13 Ca 0.03 -1.02 -0.20 0.00 0.36 0.00 0.00 54.97 54.14 2a1h s GLU 13 Cb -0.13 -2.11 -0.09 0.00 0.26 0.00 0.00 34.13 32.06 2a1h s GLU 13 CO -0.11 -0.91 1.03 -1.64 -0.54 0.00 0.00 175.26 173.09 2a1h s MET 14 N 1.60 3.84 0.26 4.30 -1.94 -1.26 -3.53 119.30 122.56 2a1h s MET 14 Ca 0.07 1.32 -0.30 0.00 -1.71 0.00 0.00 55.69 55.08 2a1h s MET 14 Cb -0.17 -2.10 -0.09 0.00 2.01 0.00 0.00 34.83 34.47 2a1h s MET 14 CO -0.21 -0.40 1.09 -0.08 -0.01 0.00 0.00 175.02 175.42 2a1h s THR 15 N -2.03 3.56 -0.22 2.05 -1.32 -1.26 -4.84 115.64 111.58 2a1h s THR 15 Ca 0.66 1.54 0.15 0.00 -1.21 0.00 0.00 61.69 62.84 2a1h s THR 15 Cb -0.15 -3.98 0.37 0.00 -1.51 0.00 0.00 72.50 67.23 2a1h s THR 15 CO 0.20 0.36 1.27 0.00 -2.21 0.00 0.00 174.62 174.23 2a1h n GLN 16 N 1.36 2.33 -3.02 7.08 3.00 -1.26 -4.69 117.38 122.18 2a1h n GLN 16 Ca -0.01 -2.55 -0.17 0.00 -0.01 0.00 0.00 57.00 54.26 2a1h n GLN 16 Cb 0.45 -1.59 -0.02 0.00 0.00 0.00 0.00 30.24 29.08 2a1h n GLN 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2a1h n LYS 17 N -0.75 0.76 -2.06 -1.09 4.01 -1.26 -5.15 118.16 112.62 2a1h n LYS 17 Ca 0.16 -2.65 -0.39 0.00 -0.51 0.00 0.00 58.31 54.92 2a1h n LYS 17 Cb 0.70 -1.32 -0.00 0.00 -0.51 0.00 0.00 35.03 33.89 2a1h n LYS 17 CO 0.00 0.00 0.00 -2.14 -1.11 0.00 0.00 177.40 174.15 2a1h s PRO 18 N -0.53 3.96 0.46 1.97 0.02 -1.26 -5.04 135.00 134.59 2a1h s PRO 18 Ca 0.34 2.14 -0.02 0.00 0.02 0.00 0.00 61.00 63.48 2a1h s PRO 18 Cb 0.21 -2.74 -0.01 0.00 0.02 0.00 0.00 34.50 31.97 2a1h s PRO 18 CO -0.16 -0.49 0.71 -1.01 -0.33 0.00 0.00 177.00 175.72 2a1h s HIS 19 N -1.27 3.36 -0.19 6.54 3.76 -1.26 -5.05 115.29 121.18 2a1h s HIS 19 Ca 0.57 0.45 -0.29 0.00 -0.15 0.00 0.00 55.06 55.64 2a1h s HIS 19 Cb -0.38 -2.30 -0.01 0.00 1.11 0.00 0.00 32.58 31.00 2a1h s HIS 19 CO 0.48 -0.33 1.26 0.15 -0.85 0.00 0.00 174.74 175.46 2a1h s LYS 20 N -4.63 4.18 0.27 1.40 1.02 -1.26 -5.02 119.74 115.70 2a1h s LYS 20 Ca 0.47 1.59 -0.30 0.00 0.02 0.00 0.00 55.97 57.76 2a1h s LYS 20 Cb -0.10 -3.78 -0.09 0.00 -0.52 0.00 0.00 37.83 33.34 2a1h s LYS 20 CO 0.40 -0.77 1.07 0.15 -0.92 0.00 0.00 175.35 175.28 2a1h s LYS 21 N 3.60 4.68 0.49 1.68 1.02 -1.26 -5.04 119.74 124.90 2a1h s LYS 21 Ca 0.55 1.75 -0.19 0.00 0.02 0.00 0.00 55.97 58.10 2a1h s LYS 21 Cb -0.21 -3.21 -0.09 0.00 -0.52 0.00 0.00 37.83 33.81 2a1h s LYS 21 CO 0.16 0.26 0.99 -2.14 -0.92 0.00 0.00 175.35 173.69 2a1h s PRO 22 N -1.33 3.96 0.29 -1.68 0.02 -1.26 -5.07 135.00 129.93 2a1h s PRO 22 Ca 0.44 1.12 -0.03 0.00 0.02 0.00 0.00 61.00 62.55 2a1h s PRO 22 Cb -0.31 -2.13 -0.05 0.00 0.02 0.00 0.00 34.50 32.03 2a1h s PRO 22 CO 0.39 -0.27 0.54 0.20 -0.33 0.00 0.00 177.00 177.53 2a1h s GLY 23 N -2.51 1.74 0.60 0.52 0.00 -1.26 -4.99 107.32 101.42 2a1h s GLY 23 Ca 0.62 -0.66 0.36 0.00 0.00 0.00 0.00 44.72 45.04 2a1h s GLY 23 CO 0.23 -0.57 2.23 -2.55 0.00 0.00 0.00 173.10 172.44 2a1h h PRO 24 N 1.50 0.00 0.00 2.90 0.11 -2.04 -2.76 132.00 131.71 2a1h h PRO 24 Ca -0.48 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.48 2a1h h PRO 24 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2a1h h PRO 24 CO 0.65 0.03 -0.81 0.78 -0.21 0.00 0.00 178.00 178.45 2a1h h GLY 25 N 0.52 0.00 -5.18 -0.55 0.00 -2.04 -3.45 103.07 92.36 2a1h h GLY 25 Ca -0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 2a1h h GLY 25 CO 0.00 0.00 0.57 -0.54 0.00 0.00 0.00 176.54 176.58 2a1h s GLU 26 N -2.87 4.30 -0.38 4.80 8.01 -1.04 -5.00 118.70 126.53 2a1h s GLU 26 Ca 0.02 1.21 -0.28 0.00 0.01 0.00 0.00 54.97 55.93 2a1h s GLU 26 Cb 0.08 -3.60 -0.03 0.00 -4.31 0.00 0.00 34.13 26.28 2a1h s GLU 26 CO 0.78 -0.44 1.89 -1.25 0.01 0.00 0.00 175.26 176.25 2a1h s PRO 27 N 2.53 3.11 0.08 0.39 0.04 -1.26 -4.81 135.00 135.08 2a1h s PRO 27 Ca 0.42 1.35 -0.19 0.00 0.04 0.00 0.00 61.00 62.62 2a1h s PRO 27 Cb -0.16 -4.27 -0.07 0.00 0.04 0.00 0.00 34.50 30.04 2a1h s PRO 27 CO 0.11 -2.13 0.57 -0.51 0.04 0.00 0.00 177.00 175.08 2a1h s LEU 28 N 7.76 4.52 0.29 -3.56 1.43 -1.26 -5.08 118.68 122.77 2a1h s LEU 28 Ca 0.81 1.25 -0.14 0.00 -1.03 0.00 0.00 54.13 55.02 2a1h s LEU 28 Cb -0.21 -2.92 -0.08 0.00 0.03 0.00 0.00 46.19 43.00 2a1h s LEU 28 CO 0.31 0.26 0.68 -0.69 0.23 0.00 0.00 176.35 177.15 2a1h s VAL 29 N -1.13 4.75 -0.01 -1.59 1.01 -1.26 -4.58 120.40 117.58 2a1h s VAL 29 Ca 0.29 0.83 -0.30 0.00 0.00 0.00 0.00 61.98 62.81 2a1h s VAL 29 Cb -0.19 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.49 2a1h s VAL 29 CO 0.19 -0.13 1.93 0.12 0.00 0.00 0.00 175.10 177.21 2a1h s PHE 30 N -1.91 1.42 -1.26 5.22 5.36 -1.26 -3.69 117.98 121.85 2a1h s PHE 30 Ca 0.52 -0.22 -0.07 0.00 -0.96 0.00 0.00 56.93 56.20 2a1h s PHE 30 Cb -0.11 -4.15 -0.01 0.00 -0.34 0.00 0.00 43.02 38.42 2a1h s PHE 30 CO 0.19 -5.04 0.67 0.41 -1.46 0.00 0.00 175.22 169.98 2a1h n GLY 31 N 4.60 -0.56 0.00 13.12 0.00 -1.26 -4.93 105.19 116.17 2a1h n GLY 31 Ca 0.20 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.50 2a1h n GLY 31 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2a1h n LYS 32 N -4.21 1.40 -4.10 1.61 4.81 -1.24 -4.98 118.16 111.45 2a1h n LYS 32 Ca -0.22 -0.01 -0.34 0.00 -0.87 0.00 0.00 58.31 56.87 2a1h n LYS 32 Cb 0.65 -1.05 -0.15 0.00 0.02 0.00 0.00 35.03 34.50 2a1h n LYS 32 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2a1h s THR 33 N -2.10 2.74 0.29 3.15 2.01 -1.26 -5.12 115.64 115.34 2a1h s THR 33 Ca -0.01 -0.72 0.08 0.00 0.31 0.00 0.00 61.69 61.35 2a1h s THR 33 Cb 0.01 -2.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.29 2a1h s THR 33 CO 0.08 0.49 0.18 -0.36 -0.69 0.00 0.00 174.62 174.31 2a1h s PHE 34 N 1.28 2.91 1.01 4.92 0.40 -1.26 -3.93 117.98 123.32 2a1h s PHE 34 Ca 0.04 -0.23 -0.16 0.00 -0.60 0.00 0.00 56.93 55.98 2a1h s PHE 34 Cb -0.14 -1.51 0.20 0.00 0.51 0.00 0.00 43.02 42.08 2a1h s PHE 34 CO -0.07 0.42 1.20 0.95 0.70 0.00 0.00 175.22 178.42 2a1h s THR 35 N -2.26 1.88 0.32 0.64 -4.23 -0.63 -4.99 115.64 106.35 2a1h s THR 35 Ca 0.36 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 60.97 2a1h s THR 35 Cb -0.06 -2.77 0.03 0.00 1.34 0.00 0.00 72.50 71.04 2a1h s THR 35 CO 0.24 0.00 1.71 0.44 -0.54 0.00 0.00 174.62 176.47 2a1h h ASP 36 N -1.86 0.06 -2.36 3.99 3.32 -1.95 -3.43 116.42 114.18 2a1h h ASP 36 Ca -0.46 -0.03 -0.56 0.00 0.02 0.00 0.00 57.03 56.00 2a1h h ASP 36 Cb 1.28 -0.02 -0.14 0.00 0.22 0.00 0.00 39.33 40.68 2a1h h ASP 36 CO 0.45 0.53 -0.65 -1.00 -1.72 0.00 0.00 179.24 176.84 2a1h s HIS 37 N -3.95 2.23 0.07 4.55 3.76 -1.26 -0.54 115.29 120.14 2a1h s HIS 37 Ca -0.03 -0.65 -0.09 0.00 -0.15 0.00 0.00 55.06 54.15 2a1h s HIS 37 Cb 0.13 -1.36 -0.00 0.00 1.11 0.00 0.00 32.58 32.46 2a1h s HIS 37 CO 0.75 0.39 0.19 0.00 -0.85 0.00 0.00 174.74 175.22 2a1h s MET 38 N -3.70 0.77 -0.04 1.40 0.23 -0.32 -4.59 119.30 113.05 2a1h s MET 38 Ca 0.32 -0.82 -0.03 0.00 -1.03 0.00 0.00 55.69 54.14 2a1h s MET 38 Cb 0.05 0.31 -0.04 0.00 -1.53 0.00 0.00 34.83 33.62 2a1h s MET 38 CO 0.15 -0.23 0.13 -1.17 -2.03 0.00 0.00 175.02 171.88 2a1h s LEU 39 N -2.51 4.20 -0.11 0.18 2.96 -0.72 -1.62 118.68 121.06 2a1h s LEU 39 Ca 0.00 0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 54.17 2a1h s LEU 39 Cb 0.02 -2.35 0.05 0.00 0.50 0.00 0.00 46.19 44.41 2a1h s LEU 39 CO -0.08 0.30 0.25 -0.32 -1.32 0.00 0.00 176.35 175.18 2a1h s MET 40 N -1.62 0.20 -0.03 1.98 -2.45 -0.14 -1.79 119.30 115.45 2a1h s MET 40 Ca 0.23 0.54 0.01 0.00 -1.25 0.00 0.00 55.69 55.21 2a1h s MET 40 Cb -0.12 -0.12 0.02 0.00 1.25 0.00 0.00 34.83 35.86 2a1h s MET 40 CO 0.13 -0.17 -0.04 0.08 1.05 0.00 0.00 175.02 176.08 2a1h s VAL 41 N 1.30 0.44 -0.06 10.11 1.01 0.56 -1.23 120.40 132.53 2a1h s VAL 41 Ca -0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 2a1h s VAL 41 Cb -0.10 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 2a1h s VAL 41 CO -0.09 0.19 0.05 -1.61 0.00 0.00 0.00 175.10 173.64 2a1h s GLU 42 N 0.77 3.07 0.06 2.72 2.02 -1.26 -0.70 118.70 125.38 2a1h s GLU 42 Ca -0.10 -0.40 0.07 0.00 0.02 0.00 0.00 54.97 54.57 2a1h s GLU 42 Cb -0.13 -2.87 -0.03 0.00 0.10 0.00 0.00 34.13 31.21 2a1h s GLU 42 CO -0.00 0.70 -0.20 -0.46 0.02 0.00 0.00 175.26 175.31 2a1h s TRP 43 N -1.01 1.76 0.26 1.61 -0.00 -0.09 -0.36 118.94 121.11 2a1h s TRP 43 Ca 0.17 -0.39 -0.01 0.00 -0.00 0.00 0.00 56.10 55.86 2a1h s TRP 43 Cb -0.12 -1.02 -0.03 0.00 -0.00 0.00 0.00 33.47 32.31 2a1h s TRP 43 CO 0.06 0.13 0.27 0.54 -0.00 0.00 0.00 176.95 177.95 2a1h s ASN 44 N -1.43 0.56 0.29 5.86 2.20 -0.83 -1.34 114.94 120.25 2a1h s ASN 44 Ca 0.07 -1.41 0.20 0.00 -0.94 0.00 0.00 52.86 50.77 2a1h s ASN 44 Cb -0.09 0.50 1.07 0.00 -2.00 0.00 0.00 41.25 40.72 2a1h s ASN 44 CO 0.03 -1.01 1.61 -0.90 -2.94 0.00 0.00 177.10 173.88 2a1h n ASP 45 N -0.74 0.52 -0.30 3.54 5.75 -0.89 -0.85 116.55 123.57 2a1h n ASP 45 Ca 0.02 0.74 0.13 0.00 -0.01 0.00 0.00 54.79 55.67 2a1h n ASP 45 Cb 0.64 -0.81 0.31 0.00 -1.03 0.00 0.00 41.12 40.23 2a1h n ASP 45 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2a1h n LYS 46 N -2.19 0.94 0.00 0.11 5.02 -1.26 -5.05 118.16 115.72 2a1h n LYS 46 Ca -0.01 -0.61 0.00 0.00 -2.02 0.00 0.00 58.31 55.67 2a1h n LYS 46 Cb 0.04 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 2a1h n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a1h n GLY 47 N 1.35 0.64 3.81 0.72 0.00 -0.03 -5.08 105.19 106.59 2a1h n GLY 47 Ca 0.12 -2.22 -0.35 0.00 0.00 0.00 0.00 46.02 43.57 2a1h n GLY 47 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2a1h s TRP 48 N -0.73 3.52 0.06 1.61 0.52 -1.24 -1.97 118.94 120.70 2a1h s TRP 48 Ca 0.00 1.63 -0.00 0.00 0.02 0.00 0.00 56.10 57.74 2a1h s TRP 48 Cb 0.00 -2.83 0.01 0.00 -1.15 0.00 0.00 33.47 29.50 2a1h s TRP 48 CO 0.00 0.09 0.08 0.41 0.02 0.00 0.00 176.95 177.56 2a1h n GLY 49 N 0.05 0.22 3.72 0.98 0.00 0.52 -4.88 105.19 105.80 2a1h n GLY 49 Ca 0.04 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 2a1h n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2a1h s GLN 50 N -2.77 4.60 0.41 1.61 -0.21 -1.26 -4.74 119.66 117.30 2a1h s GLN 50 Ca 0.05 1.53 -0.24 0.00 0.02 0.00 0.00 55.36 56.72 2a1h s GLN 50 Cb -0.00 -3.38 -0.09 0.00 1.00 0.00 0.00 33.01 30.54 2a1h s GLN 50 CO 0.04 0.04 1.07 -1.25 -2.12 0.00 0.00 175.29 173.07 2a1h s PRO 51 N 0.40 4.11 0.00 2.91 0.04 -1.26 -4.67 135.00 136.54 2a1h s PRO 51 Ca 0.51 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.11 2a1h s PRO 51 Cb -0.24 -2.53 -0.00 0.00 0.04 0.00 0.00 34.50 31.76 2a1h s PRO 51 CO 0.30 -0.20 -0.01 -0.98 0.04 0.00 0.00 177.00 176.15 2a1h s ARG 52 N -2.51 0.08 -0.36 4.56 1.70 -0.37 -1.01 118.95 121.03 2a1h s ARG 52 Ca 0.58 -0.10 -0.13 0.00 -0.47 0.00 0.00 55.73 55.62 2a1h s ARG 52 Cb -0.23 -0.02 0.00 0.00 -0.57 0.00 0.00 34.95 34.13 2a1h s ARG 52 CO 0.29 0.00 0.24 0.42 -1.08 0.00 0.00 175.30 175.17 2a1h s ILE 53 N -0.21 5.04 0.24 4.99 1.01 0.36 -0.96 121.20 131.67 2a1h s ILE 53 Ca -0.02 -0.49 0.05 0.00 0.00 0.00 0.00 60.65 60.19 2a1h s ILE 53 Cb -0.02 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 2a1h s ILE 53 CO -0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 174.94 174.77 2a1h s GLN 54 N 1.66 1.37 0.67 2.79 -2.07 -0.64 -1.02 119.66 122.43 2a1h s GLN 54 Ca 0.05 -1.68 -0.17 0.00 -1.82 0.00 0.00 55.36 51.74 2a1h s GLN 54 Cb -0.18 -0.81 0.01 0.00 -1.09 0.00 0.00 33.01 30.93 2a1h s GLN 54 CO 0.09 -0.02 1.22 -2.14 -1.32 0.00 0.00 175.29 173.12 2a1h s PRO 55 N -3.80 2.47 0.06 9.60 0.02 -1.23 -1.17 135.00 140.95 2a1h s PRO 55 Ca 0.27 1.84 -0.30 0.00 0.02 0.00 0.00 61.00 62.83 2a1h s PRO 55 Cb 0.04 -1.86 -0.09 0.00 0.02 0.00 0.00 34.50 32.61 2a1h s PRO 55 CO 0.09 -1.60 1.92 0.12 -0.33 0.00 0.00 177.00 177.20 2a1h s PHE 56 N -1.75 1.53 0.19 6.54 5.36 0.30 -4.58 117.98 125.57 2a1h s PHE 56 Ca 0.77 -0.33 -0.11 0.00 -0.96 0.00 0.00 56.93 56.30 2a1h s PHE 56 Cb -0.31 -4.22 -0.00 0.00 -0.34 0.00 0.00 43.02 38.15 2a1h s PHE 56 CO 0.41 -5.35 0.37 1.14 -1.46 0.00 0.00 175.22 170.33 2a1h s GLN 57 N 3.98 1.29 0.60 10.12 -2.07 -1.26 -5.01 119.66 127.30 2a1h s GLN 57 Ca 0.86 -1.15 -0.15 0.00 -1.82 0.00 0.00 55.36 53.10 2a1h s GLN 57 Cb -0.43 0.42 -0.03 0.00 -1.09 0.00 0.00 33.01 31.88 2a1h s GLN 57 CO 0.40 -0.50 1.06 -0.80 -1.32 0.00 0.00 175.29 174.13 2a1h s ASN 58 N -2.97 5.73 0.22 12.60 0.01 -1.26 -5.04 114.94 124.23 2a1h s ASN 58 Ca 0.18 1.81 -0.15 0.00 -0.71 0.00 0.00 52.86 53.99 2a1h s ASN 58 Cb 0.02 -2.53 -0.08 0.00 0.41 0.00 0.00 41.25 39.07 2a1h s ASN 58 CO 0.02 -1.20 0.63 -0.76 -1.51 0.00 0.00 177.10 174.28 2a1h s LEU 59 N -4.57 4.26 -0.38 0.60 1.43 -1.26 -5.05 118.68 113.70 2a1h s LEU 59 Ca 0.63 1.19 -0.02 0.00 -1.03 0.00 0.00 54.13 54.90 2a1h s LEU 59 Cb -0.16 -3.58 0.10 0.00 0.03 0.00 0.00 46.19 42.57 2a1h s LEU 59 CO 0.38 -0.01 0.16 -0.89 0.23 0.00 0.00 176.35 176.22 2a1h s THR 60 N -1.64 3.18 -0.06 5.49 2.01 -1.26 -5.09 115.64 118.27 2a1h s THR 60 Ca 0.44 -1.95 0.04 0.00 0.31 0.00 0.00 61.69 60.53 2a1h s THR 60 Cb -0.14 -3.13 -0.02 0.00 0.01 0.00 0.00 72.50 69.22 2a1h s THR 60 CO 0.20 -0.58 -0.16 -0.76 -0.69 0.00 0.00 174.62 172.62 2a1h s LEU 61 N 1.15 2.60 0.29 4.42 1.02 -1.26 -5.11 118.68 121.78 2a1h s LEU 61 Ca 0.06 -0.27 -0.29 0.00 0.02 0.00 0.00 54.13 53.65 2a1h s LEU 61 Cb -0.22 -1.52 -0.10 0.00 0.02 0.00 0.00 46.19 44.37 2a1h s LEU 61 CO -0.04 0.31 1.37 -2.28 0.02 0.00 0.00 176.35 175.73 2a1h s HIS 62 N -0.53 3.04 0.62 0.29 5.65 -1.26 -4.89 115.29 118.21 2a1h s HIS 62 Ca 0.07 1.23 0.30 0.00 0.25 0.00 0.00 55.06 56.91 2a1h s HIS 62 Cb -0.11 -3.74 1.60 0.00 -1.18 0.00 0.00 32.58 29.15 2a1h s HIS 62 CO 0.01 -2.21 1.96 -1.35 -0.65 0.00 0.00 174.74 172.50 2a1h h PRO 63 N 4.22 0.00 -0.45 2.88 0.11 -1.99 -0.90 132.00 135.87 2a1h h PRO 63 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2a1h h PRO 63 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2a1h h PRO 63 CO 0.71 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.50 2a1h n ALA 64 N -2.15 2.43 -1.67 -0.75 0.00 -1.26 -4.95 120.51 112.16 2a1h n ALA 64 Ca 0.02 -0.94 -0.52 0.00 0.00 0.00 0.00 53.44 52.00 2a1h n ALA 64 Cb 0.47 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.91 2a1h n ALA 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2a1h n SER 65 N 1.18 2.61 0.20 0.00 2.88 -0.34 -3.37 113.62 116.78 2a1h n SER 65 Ca 0.19 1.06 0.12 0.00 -1.33 0.00 0.00 58.87 58.91 2a1h n SER 65 Cb 0.51 -1.26 0.64 0.00 -0.75 0.00 0.00 64.21 63.35 2a1h n SER 65 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2a1h h SER 66 N 6.97 0.00 0.56 -3.46 4.64 -1.67 -1.30 113.55 119.28 2a1h h SER 66 Ca -0.47 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.77 2a1h h SER 66 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 2a1h h SER 66 CO 0.91 0.00 -0.36 0.77 -0.87 0.00 0.00 176.83 177.27 2a1h h SER 67 N 0.00 0.00 0.27 4.97 4.64 -1.69 -2.00 113.55 119.74 2a1h h SER 67 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2a1h h SER 67 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2a1h h SER 67 CO 0.00 0.36 -1.70 0.18 -0.87 0.00 0.00 176.83 174.80 2a1h n LEU 68 N -3.80 0.26 -0.11 5.97 4.77 -0.49 -3.93 117.00 119.66 2a1h n LEU 68 Ca -0.01 0.08 -0.19 0.00 -0.03 0.00 0.00 56.01 55.86 2a1h n LEU 68 Cb 0.44 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.42 2a1h n LEU 68 CO 0.37 -0.04 -1.24 1.41 -1.33 0.00 0.00 177.39 176.55 2a1h n HIS 69 N -2.35 0.00 -1.14 -1.77 8.25 -1.20 -4.73 115.22 112.28 2a1h n HIS 69 Ca -0.03 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.52 2a1h n HIS 69 Cb 0.56 -0.83 0.18 0.00 1.12 0.00 0.00 29.99 31.02 2a1h n HIS 69 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2a1h n TYR 70 N -3.48 0.29 -4.07 4.41 4.01 -0.76 -5.02 117.16 112.54 2a1h n TYR 70 Ca -0.41 -1.07 -0.30 0.00 -0.16 0.00 0.00 57.90 55.96 2a1h n TYR 70 Cb 0.88 -0.22 -0.02 0.00 -0.31 0.00 0.00 39.34 39.66 2a1h n TYR 70 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2a1h n SER 71 N -1.17 -1.89 -4.41 7.72 2.88 -1.18 -4.86 113.62 110.72 2a1h n SER 71 Ca 0.19 -1.00 -0.43 0.00 -1.33 0.00 0.00 58.87 56.30 2a1h n SER 71 Cb 0.73 -2.96 0.00 0.00 -0.75 0.00 0.00 64.21 61.23 2a1h n SER 71 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2a1h n LEU 72 N -4.42 5.34 -3.69 2.46 4.77 -1.18 -4.76 117.00 115.52 2a1h n LEU 72 Ca -0.12 -4.20 -0.14 0.00 -0.03 0.00 0.00 56.01 51.51 2a1h n LEU 72 Cb 0.59 -1.67 -0.08 0.00 -2.33 0.00 0.00 43.42 39.93 2a1h n LEU 72 CO 0.80 0.55 0.16 0.00 -1.33 0.00 0.00 177.39 177.57 2a1h s GLN 73 N 2.81 0.70 0.13 3.23 -2.07 -1.26 -0.20 119.66 123.01 2a1h s GLN 73 Ca 0.48 0.22 -0.12 0.00 -1.82 0.00 0.00 55.36 54.12 2a1h s GLN 73 Cb 0.03 0.33 0.01 0.00 -1.09 0.00 0.00 33.01 32.28 2a1h s GLN 73 CO 0.03 -0.17 0.32 -0.48 -1.32 0.00 0.00 175.29 173.67 2a1h s LEU 74 N -0.70 0.85 0.26 2.60 0.05 -0.69 -2.82 118.68 118.23 2a1h s LEU 74 Ca -0.08 -0.61 -0.07 0.00 0.05 0.00 0.00 54.13 53.42 2a1h s LEU 74 Cb -0.03 1.44 -0.01 0.00 -2.05 0.00 0.00 46.19 45.53 2a1h s LEU 74 CO 0.04 -0.85 0.40 0.72 -0.55 0.00 0.00 176.35 176.11 2a1h s PHE 75 N -3.88 0.72 0.17 3.48 -0.71 -0.83 -1.98 117.98 114.95 2a1h s PHE 75 Ca 0.08 -1.02 -0.00 0.00 -1.04 0.00 0.00 56.93 54.95 2a1h s PHE 75 Cb 0.03 -0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.75 2a1h s PHE 75 CO -0.07 -0.95 0.07 -1.21 -1.34 0.00 0.00 175.22 171.72 2a1h s GLU 76 N -3.81 1.07 -0.20 1.99 0.41 -0.46 -4.73 118.70 112.98 2a1h s GLU 76 Ca 0.28 -1.53 -0.07 0.00 -0.41 0.00 0.00 54.97 53.24 2a1h s GLU 76 Cb 0.01 0.11 0.09 0.00 -1.78 0.00 0.00 34.13 32.56 2a1h s GLU 76 CO 0.13 -0.27 0.43 0.20 -0.49 0.00 0.00 175.26 175.25 2a1h s GLY 77 N -3.12 -0.38 0.07 -1.39 0.00 -1.26 -3.75 107.32 97.50 2a1h s GLY 77 Ca 0.29 1.54 -0.08 0.00 0.00 0.00 0.00 44.72 46.46 2a1h s GLY 77 CO 0.06 2.43 0.17 -3.16 0.00 0.00 0.00 173.10 172.59 2a1h s MET 78 N 2.60 0.78 0.02 2.90 0.23 -1.02 -4.92 119.30 119.90 2a1h s MET 78 Ca -0.02 -0.89 0.06 0.00 -1.03 0.00 0.00 55.69 53.81 2a1h s MET 78 Cb -0.12 0.31 -0.03 0.00 -1.53 0.00 0.00 34.83 33.46 2a1h s MET 78 CO -0.13 -0.23 -0.15 0.15 -2.03 0.00 0.00 175.02 172.63 2a1h s LYS 79 N -3.50 2.22 -0.15 3.16 1.02 -1.26 -0.16 119.74 121.08 2a1h s LYS 79 Ca 0.02 -0.90 -0.03 0.00 0.02 0.00 0.00 55.97 55.09 2a1h s LYS 79 Cb 0.03 -2.28 -0.03 0.00 -0.52 0.00 0.00 37.83 35.04 2a1h s LYS 79 CO -0.09 0.56 -0.05 0.00 -0.92 0.00 0.00 175.35 174.85 2a1h s ALA 80 N -0.92 2.94 -0.05 5.17 0.00 0.08 -2.83 121.76 126.14 2a1h s ALA 80 Ca 0.15 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.33 2a1h s ALA 80 Cb -0.11 -1.50 -0.02 0.00 0.00 0.00 0.00 23.12 21.49 2a1h s ALA 80 CO 0.05 0.22 -0.17 -0.06 0.00 0.00 0.00 175.76 175.81 2a1h s PHE 81 N 0.35 2.62 -0.23 0.00 0.40 0.49 -1.36 117.98 120.24 2a1h s PHE 81 Ca -0.05 -0.30 -0.06 0.00 -0.60 0.00 0.00 56.93 55.92 2a1h s PHE 81 Cb -0.14 -1.62 -0.03 0.00 0.51 0.00 0.00 43.02 41.74 2a1h s PHE 81 CO 0.03 0.08 0.04 0.21 0.70 0.00 0.00 175.22 176.28 2a1h s LYS 82 N -0.57 3.64 0.86 0.44 2.20 -1.26 -0.64 119.74 124.41 2a1h s LYS 82 Ca 0.08 -0.49 -0.11 0.00 -0.36 0.00 0.00 55.97 55.09 2a1h s LYS 82 Cb -0.11 -3.22 0.16 0.00 -1.51 0.00 0.00 37.83 33.15 2a1h s LYS 82 CO 0.01 -0.10 1.19 0.20 -0.36 0.00 0.00 175.35 176.29 2a1h s GLY 83 N 1.35 1.76 0.47 5.54 0.00 -0.76 -4.72 107.32 110.96 2a1h s GLY 83 Ca 0.05 -1.30 0.17 0.00 0.00 0.00 0.00 44.72 43.63 2a1h s GLY 83 CO 0.02 -0.64 2.02 0.50 0.00 0.00 0.00 173.10 175.00 2a1h h LYS 84 N -1.20 0.00 -0.84 2.90 6.56 -1.91 -2.19 116.57 119.89 2a1h h LYS 84 Ca -0.42 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.17 2a1h h LYS 84 Cb 1.26 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.92 2a1h h LYS 84 CO 0.42 0.16 0.00 -0.40 -2.06 0.00 0.00 179.45 177.57 2a1h n ASP 85 N -4.22 2.27 0.00 0.86 5.68 -1.26 -4.90 116.55 114.98 2a1h n ASP 85 Ca -0.02 -2.25 0.00 0.00 -0.50 0.00 0.00 54.79 52.02 2a1h n ASP 85 Cb 0.23 -0.53 0.00 0.00 -1.14 0.00 0.00 41.12 39.68 2a1h n ASP 85 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2a1h n GLN 86 N 0.17 -0.25 -2.62 0.11 1.13 -0.82 -4.99 117.38 110.11 2a1h n GLN 86 Ca 0.08 0.06 -0.42 0.00 -1.94 0.00 0.00 57.00 54.78 2a1h n GLN 86 Cb 0.50 -3.95 -0.03 0.00 0.11 0.00 0.00 30.24 26.87 2a1h n GLN 86 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2a1h s GLN 87 N -0.81 4.41 -0.06 -1.09 2.00 -1.26 -4.77 119.66 118.07 2a1h s GLN 87 Ca 0.00 1.48 -0.17 0.00 -2.00 0.00 0.00 55.36 54.68 2a1h s GLN 87 Cb 0.00 -3.54 -0.05 0.00 0.80 0.00 0.00 33.01 30.22 2a1h s GLN 87 CO 0.00 -0.35 0.44 0.08 -0.50 0.00 0.00 175.29 174.96 2a1h s VAL 88 N 2.02 5.11 -0.00 1.34 1.01 -1.26 -1.82 120.40 126.80 2a1h s VAL 88 Ca 0.51 0.89 0.01 0.00 0.00 0.00 0.00 61.98 63.38 2a1h s VAL 88 Cb -0.20 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2a1h s VAL 88 CO 0.20 0.44 -0.02 -0.13 0.00 0.00 0.00 175.10 175.59 2a1h s ARG 89 N -0.15 0.17 0.07 2.72 0.52 0.19 -0.97 118.95 121.50 2a1h s ARG 89 Ca 0.24 -0.05 -0.12 0.00 -0.52 0.00 0.00 55.73 55.28 2a1h s ARG 89 Cb -0.16 -0.19 -0.06 0.00 0.52 0.00 0.00 34.95 35.06 2a1h s ARG 89 CO 0.11 0.02 0.42 -0.51 0.02 0.00 0.00 175.30 175.37 2a1h s LEU 90 N 0.08 4.38 -0.35 2.53 1.43 0.21 -0.38 118.68 126.59 2a1h s LEU 90 Ca -0.01 0.88 -0.19 0.00 -1.03 0.00 0.00 54.13 53.78 2a1h s LEU 90 Cb -0.02 -2.91 -0.00 0.00 0.03 0.00 0.00 46.19 43.29 2a1h s LEU 90 CO -0.00 0.21 0.58 0.12 0.23 0.00 0.00 176.35 177.48 2a1h s PHE 91 N -1.32 3.17 -0.94 0.29 5.36 -1.13 -1.16 117.98 122.25 2a1h s PHE 91 Ca 0.31 0.29 -0.14 0.00 -0.96 0.00 0.00 56.93 56.43 2a1h s PHE 91 Cb -0.15 -3.02 0.02 0.00 -0.34 0.00 0.00 43.02 39.53 2a1h s PHE 91 CO 0.17 -0.57 0.27 0.54 -1.46 0.00 0.00 175.22 174.17 2a1h n ARG 92 N 5.88 -0.67 0.30 10.12 1.74 0.06 -4.81 116.66 129.27 2a1h n ARG 92 Ca -0.03 -0.05 0.20 0.00 -0.77 0.00 0.00 57.85 57.21 2a1h n ARG 92 Cb 0.49 -1.87 0.97 0.00 -1.02 0.00 0.00 32.46 31.03 2a1h n ARG 92 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2a1h h PRO 93 N -0.92 0.00 -0.49 5.56 0.13 -1.82 -2.76 132.00 131.70 2a1h h PRO 93 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 2a1h h PRO 93 Cb 0.97 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.08 2a1h h PRO 93 CO 0.42 0.00 0.17 -1.49 -0.23 0.00 0.00 178.00 176.87 2a1h h TRP 94 N 0.00 0.71 -0.15 1.56 6.55 -1.96 -1.49 115.95 121.16 2a1h h TRP 94 Ca 0.00 -0.04 -0.12 0.00 0.95 0.00 0.00 58.89 59.68 2a1h h TRP 94 Cb 0.21 -0.22 -0.01 0.00 -0.86 0.00 0.00 29.16 28.28 2a1h h TRP 94 CO 0.00 0.57 -0.43 -0.07 -1.05 0.00 0.00 178.44 177.46 2a1h h LEU 95 N 0.70 0.38 -0.46 -4.49 3.38 -1.87 -0.92 115.31 112.03 2a1h h LEU 95 Ca 0.17 -0.17 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 2a1h h LEU 95 Cb 0.18 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2a1h h LEU 95 CO -0.01 0.77 -0.53 0.78 0.09 0.00 0.00 178.44 179.54 2a1h h ASN 96 N 0.30 0.73 -0.10 -0.43 2.35 -1.52 -1.46 115.58 115.45 2a1h h ASN 96 Ca 0.02 -0.38 -0.12 0.00 -0.55 0.00 0.00 56.30 55.27 2a1h h ASN 96 Cb 0.89 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 2a1h h ASN 96 CO 0.07 1.12 -0.32 0.24 -1.65 0.00 0.00 177.43 176.89 2a1h h MET 97 N 0.51 0.58 -0.29 0.81 2.86 -1.06 -0.33 114.93 118.02 2a1h h MET 97 Ca 0.02 -0.26 -0.04 0.00 -2.06 0.00 0.00 59.70 57.35 2a1h h MET 97 Cb 1.09 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 2a1h h MET 97 CO 0.11 0.83 0.03 -0.44 1.06 0.00 0.00 176.91 178.50 2a1h h ASP 98 N 0.50 0.47 -0.34 1.22 3.32 -1.00 -2.25 116.42 118.34 2a1h h ASP 98 Ca 0.06 -0.28 -0.11 0.00 0.02 0.00 0.00 57.03 56.72 2a1h h ASP 98 Cb 0.80 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 2a1h h ASP 98 CO 0.07 0.63 -0.17 -0.09 -1.72 0.00 0.00 179.24 177.96 2a1h h ARG 99 N 0.30 0.81 -0.61 3.56 2.43 -1.13 -2.43 114.38 117.32 2a1h h ARG 99 Ca 0.09 -0.30 -0.06 0.00 -0.81 0.00 0.00 59.98 58.89 2a1h h ARG 99 Cb 0.37 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 2a1h h ARG 99 CO 0.01 0.92 0.15 1.98 -1.51 0.00 0.00 179.97 181.52 2a1h h MET 100 N 0.72 0.97 -0.33 0.20 4.05 -0.97 -1.11 114.93 118.46 2a1h h MET 100 Ca 0.11 -0.23 -0.13 0.00 -0.28 0.00 0.00 59.70 59.17 2a1h h MET 100 Cb 0.68 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.34 2a1h h MET 100 CO 0.05 0.89 -0.31 1.25 0.23 0.00 0.00 176.91 179.02 2a1h h LEU 101 N 0.88 0.73 -0.73 3.39 5.85 -1.29 -1.11 115.31 123.02 2a1h h LEU 101 Ca 0.19 -0.29 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 2a1h h LEU 101 Cb 0.36 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2a1h h LEU 101 CO 0.00 0.98 0.02 0.03 -0.34 0.00 0.00 178.44 179.14 2a1h h ARG 102 N 0.60 0.99 -0.65 1.25 3.08 -1.18 -1.79 114.38 116.69 2a1h h ARG 102 Ca 0.07 -0.29 -0.09 0.00 0.07 0.00 0.00 59.98 59.74 2a1h h ARG 102 Cb 0.82 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 2a1h h ARG 102 CO 0.07 0.96 0.06 0.77 -1.07 0.00 0.00 179.97 180.77 2a1h h SER 103 N 0.92 1.06 -0.52 7.04 0.02 -0.97 -2.51 113.55 118.58 2a1h h SER 103 Ca 0.17 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 2a1h h SER 103 Cb 0.50 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 2a1h h SER 103 CO 0.02 1.07 0.23 0.00 -1.14 0.00 0.00 176.83 177.02 2a1h h ALA 104 N 1.04 0.68 -0.22 3.77 0.00 -0.91 -2.80 119.26 120.81 2a1h h ALA 104 Ca 0.19 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2a1h h ALA 104 Cb 0.49 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2a1h h ALA 104 CO 0.02 0.27 -0.19 0.52 0.00 0.00 0.00 179.25 179.86 2a1h h MET 105 N 0.70 0.40 -0.01 0.00 2.07 -1.20 0.60 114.93 117.49 2a1h h MET 105 Ca 0.18 -0.12 -0.10 0.00 -2.07 0.00 0.00 59.70 57.58 2a1h h MET 105 Cb 0.16 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 29.84 2a1h h MET 105 CO -0.02 0.58 -0.46 -0.09 1.07 0.00 0.00 176.91 177.99 2a1h h ARG 106 N 0.36 0.03 -0.68 1.72 9.65 -1.22 -2.94 114.38 121.31 2a1h h ARG 106 Ca 0.06 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 2a1h h ARG 106 Cb 0.55 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 2a1h h ARG 106 CO 0.04 0.49 0.00 1.28 2.80 0.00 0.00 179.97 184.57 2a1h n LEU 107 N -3.99 4.14 -3.03 3.80 4.77 -1.07 -4.94 117.00 116.68 2a1h n LEU 107 Ca -0.02 -2.15 -0.22 0.00 -0.03 0.00 0.00 56.01 53.60 2a1h n LEU 107 Cb 0.49 -0.50 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 2a1h n LEU 107 CO 0.40 0.92 -0.04 0.00 -1.33 0.00 0.00 177.39 177.35 2a1h s LEU 109 N -6.54 4.13 0.35 0.00 1.43 0.16 -4.32 118.68 113.89 2a1h s LEU 109 Ca 0.29 0.67 -0.28 0.00 -1.03 0.00 0.00 54.13 53.79 2a1h s LEU 109 Cb -0.14 -3.46 -0.12 0.00 0.03 0.00 0.00 46.19 42.50 2a1h s LEU 109 CO 0.36 -0.12 1.34 -0.81 0.23 0.00 0.00 176.35 177.36 2a1h n PRO 110 N -0.63 2.27 -2.26 1.29 -0.04 -1.26 -4.35 135.00 130.02 2a1h n PRO 110 Ca -0.02 0.80 -0.33 0.00 -0.04 0.00 0.00 63.50 63.91 2a1h n PRO 110 Cb 0.53 -2.42 -0.01 0.00 -0.04 0.00 0.00 33.50 31.56 2a1h n PRO 110 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2a1h s SER 111 N -0.27 6.16 0.17 3.54 1.04 -1.26 -4.93 113.70 118.16 2a1h s SER 111 Ca 0.55 1.76 -0.07 0.00 0.48 0.00 0.00 55.95 58.67 2a1h s SER 111 Cb -0.54 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.03 2a1h s SER 111 CO 0.63 -0.90 0.25 0.72 0.98 0.00 0.00 173.24 174.91 2a1h s PHE 112 N -2.41 0.57 -0.25 5.02 -0.12 -1.26 -4.76 117.98 114.77 2a1h s PHE 112 Ca 0.63 -0.91 -0.22 0.00 -0.05 0.00 0.00 56.93 56.38 2a1h s PHE 112 Cb -0.14 -0.16 -0.01 0.00 -0.63 0.00 0.00 43.02 42.07 2a1h s PHE 112 CO 0.31 -0.71 0.70 0.34 -0.05 0.00 0.00 175.22 175.82 2a1h s ASP 113 N -3.01 6.67 0.39 1.98 -1.08 -1.26 -4.94 116.67 115.42 2a1h s ASP 113 Ca 0.22 0.82 0.10 0.00 -0.52 0.00 0.00 52.55 53.17 2a1h s ASP 113 Cb 0.04 -2.37 0.89 0.00 -1.46 0.00 0.00 42.92 40.02 2a1h s ASP 113 CO 0.03 -0.43 1.95 0.11 0.52 0.00 0.00 175.17 177.35 2a1h h LYS 114 N 7.82 0.57 0.00 4.34 1.57 -1.99 -2.31 116.57 126.58 2a1h h LYS 114 Ca -0.25 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.39 2a1h h LYS 114 Cb 1.11 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 2a1h h LYS 114 CO 0.81 0.38 -0.55 -0.07 -0.57 0.00 0.00 179.45 179.45 2a1h h LEU 115 N 0.59 0.00 -0.20 2.94 3.38 -1.98 -2.37 115.31 117.67 2a1h h LEU 115 Ca 0.33 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.08 2a1h h LEU 115 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2a1h h LEU 115 CO -0.11 0.49 -0.90 -0.33 0.09 0.00 0.00 178.44 177.68 2a1h h GLU 116 N 0.00 0.47 -0.34 1.13 4.39 -1.76 -2.03 114.58 116.44 2a1h h GLU 116 Ca -0.01 -0.47 -0.14 0.00 0.34 0.00 0.00 59.36 59.08 2a1h h GLU 116 Cb 1.38 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 30.15 2a1h h GLU 116 CO 0.06 1.11 -0.36 1.25 -1.16 0.00 0.00 179.01 179.92 2a1h h LEU 117 N 0.28 0.82 -0.75 1.33 5.85 -1.45 -1.90 115.31 119.49 2a1h h LEU 117 Ca -0.07 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.25 2a1h h LEU 117 Cb 1.52 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.29 2a1h h LEU 117 CO 0.16 1.09 0.30 0.25 -0.34 0.00 0.00 178.44 179.90 2a1h h LEU 118 N 0.64 1.04 -0.65 2.25 5.85 -1.34 0.02 115.31 123.13 2a1h h LEU 118 Ca 0.06 -0.17 -0.13 0.00 0.84 0.00 0.00 57.88 58.48 2a1h h LEU 118 Cb 0.91 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2a1h h LEU 118 CO 0.08 0.93 -0.32 -0.08 -0.34 0.00 0.00 178.44 178.71 2a1h h GLU 119 N 1.09 0.71 -0.46 1.25 4.57 -1.24 -0.23 114.58 120.26 2a1h h GLU 119 Ca 0.25 -0.33 -0.09 0.00 -1.18 0.00 0.00 59.36 58.01 2a1h h GLU 119 Cb 0.22 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 2a1h h GLU 119 CO -0.02 0.93 -0.08 0.00 -1.18 0.00 0.00 179.01 178.66 2a1h h ILE 121 N 0.75 1.29 -0.60 0.00 2.04 -0.74 -1.94 117.51 118.30 2a1h h ILE 121 Ca 0.13 -1.56 -0.04 0.00 1.00 0.00 0.00 64.86 64.39 2a1h h ILE 121 Cb 0.57 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 2a1h h ILE 121 CO 0.04 0.51 0.22 -0.09 0.00 0.00 0.00 178.15 178.82 2a1h h ARG 122 N 0.62 0.92 -0.40 2.37 2.43 -0.67 -1.58 114.38 118.06 2a1h h ARG 122 Ca 0.05 -0.18 -0.07 0.00 -0.81 0.00 0.00 59.98 58.97 2a1h h ARG 122 Cb 0.94 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 2a1h h ARG 122 CO 0.09 0.79 -0.04 0.00 -1.51 0.00 0.00 179.97 179.30 2a1h h ARG 123 N 0.85 0.67 -0.20 0.20 2.47 -1.11 -1.22 114.38 116.03 2a1h h ARG 123 Ca 0.20 -0.18 -0.04 0.00 -1.26 0.00 0.00 59.98 58.70 2a1h h ARG 123 Cb 0.24 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 2a1h h ARG 123 CO -0.01 0.71 -0.04 1.25 0.56 0.00 0.00 179.97 182.44 2a1h h LEU 124 N 0.62 0.39 -1.18 3.04 5.85 -0.95 -2.36 115.31 120.72 2a1h h LEU 124 Ca 0.12 -0.36 -0.08 0.00 0.84 0.00 0.00 57.88 58.40 2a1h h LEU 124 Cb 0.46 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2a1h h LEU 124 CO 0.02 0.66 -0.26 0.40 -0.34 0.00 0.00 178.44 178.92 2a1h h ILE 125 N 0.11 1.24 -0.59 4.05 2.04 -1.13 -2.20 117.51 121.04 2a1h h ILE 125 Ca 0.05 -1.14 -0.07 0.00 1.00 0.00 0.00 64.86 64.71 2a1h h ILE 125 Cb 0.49 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 2a1h h ILE 125 CO 0.02 0.35 0.10 -0.08 0.00 0.00 0.00 178.15 178.54 2a1h h GLU 126 N 0.21 0.94 -0.38 2.37 4.81 -1.06 0.49 114.58 121.96 2a1h h GLU 126 Ca 0.03 -0.22 -0.13 0.00 -0.13 0.00 0.00 59.36 58.91 2a1h h GLU 126 Cb 0.59 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2a1h h GLU 126 CO 0.04 0.86 -0.27 0.28 -0.73 0.00 0.00 179.01 179.19 2a1h h VAL 127 N 0.89 1.28 -0.94 0.32 2.07 -1.05 -3.15 116.25 115.67 2a1h h VAL 127 Ca 0.18 -1.43 -0.53 0.00 0.82 0.00 0.00 66.70 65.74 2a1h h VAL 127 Cb 0.38 1.36 -0.29 0.00 -1.52 0.00 0.00 31.29 31.21 2a1h h VAL 127 CO 0.01 0.48 0.62 0.47 0.02 0.00 0.00 177.57 179.16 2a1h n ASP 128 N -4.17 4.58 -0.24 0.57 8.00 -0.86 -4.71 116.55 119.72 2a1h n ASP 128 Ca -0.02 -3.67 0.10 0.00 0.71 0.00 0.00 54.79 51.91 2a1h n ASP 128 Cb 0.48 -0.85 0.38 0.00 -0.02 0.00 0.00 41.12 41.11 2a1h n ASP 128 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2a1h h LYS 129 N 1.26 0.68 0.00 -1.24 1.57 -0.87 -1.87 116.57 116.09 2a1h h LYS 129 Ca 0.59 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 2a1h h LYS 129 Cb 2.26 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 34.42 2a1h h LYS 129 CO 1.15 0.45 0.00 -0.25 -0.57 0.00 0.00 179.45 180.23 2a1h n ASP 130 N -4.52 0.14 0.13 0.86 8.00 -1.26 -2.36 116.55 117.54 2a1h n ASP 130 Ca 0.15 0.53 0.12 0.00 0.71 0.00 0.00 54.79 56.30 2a1h n ASP 130 Cb 0.39 -0.57 0.08 0.00 -0.02 0.00 0.00 41.12 41.00 2a1h n ASP 130 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 2a1h h TRP 131 N 0.00 0.00 -3.14 1.24 4.06 -1.72 -3.45 115.95 112.94 2a1h h TRP 131 Ca 0.00 0.00 -0.57 0.00 2.06 0.00 0.00 58.89 60.38 2a1h h TRP 131 Cb 0.29 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.40 2a1h h TRP 131 CO 0.00 0.00 0.99 0.08 -3.56 0.00 0.00 178.44 175.95 2a1h s VAL 132 N -3.30 4.10 0.70 1.49 1.01 -1.00 -4.70 120.40 118.71 2a1h s VAL 132 Ca 0.03 1.23 -0.11 0.00 0.00 0.00 0.00 61.98 63.13 2a1h s VAL 132 Cb 0.09 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.34 2a1h s VAL 132 CO 0.74 -0.49 1.06 -2.16 0.00 0.00 0.00 175.10 174.25 2a1h s PRO 133 N 4.26 2.91 0.00 2.72 0.04 -1.26 -4.94 135.00 138.73 2a1h s PRO 133 Ca 0.57 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.52 2a1h s PRO 133 Cb -0.17 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2a1h s PRO 133 CO 0.24 -1.10 0.66 -0.40 0.04 0.00 0.00 177.00 176.44 2a1h n ASP 134 N -3.13 1.32 -4.72 6.66 3.85 -1.26 -4.22 116.55 115.05 2a1h n ASP 134 Ca 0.07 -1.33 -0.30 0.00 -0.71 0.00 0.00 54.79 52.53 2a1h n ASP 134 Cb 0.54 0.00 0.13 0.00 -1.35 0.00 0.00 41.12 40.44 2a1h n ASP 134 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2a1h s ALA 135 N -0.33 1.66 0.08 2.12 0.00 -1.26 -4.93 121.76 119.10 2a1h s ALA 135 Ca 0.00 0.03 -0.31 0.00 0.00 0.00 0.00 51.96 51.68 2a1h s ALA 135 Cb 0.00 -3.22 -0.10 0.00 0.00 0.00 0.00 23.12 19.80 2a1h s ALA 135 CO 0.00 -2.27 1.90 0.00 0.00 0.00 0.00 175.76 175.39 2a1h n ALA 136 N -3.83 1.88 -0.93 0.00 0.00 -1.26 -2.48 120.51 113.89 2a1h n ALA 136 Ca 0.08 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2a1h n ALA 136 Cb 0.55 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 17.37 2a1h n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a1h n GLY 137 N 4.37 0.72 3.95 0.00 0.00 -1.26 -4.62 105.19 108.35 2a1h n GLY 137 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 2a1h n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a1h s THR 138 N -3.06 4.66 0.15 2.61 -4.23 -1.03 -3.95 115.64 110.79 2a1h s THR 138 Ca 0.00 -0.58 -0.14 0.00 -1.18 0.00 0.00 61.69 59.78 2a1h s THR 138 Cb 0.00 -3.69 0.05 0.00 1.34 0.00 0.00 72.50 70.20 2a1h s THR 138 CO 0.00 -0.42 0.70 -1.54 -0.54 0.00 0.00 174.62 172.81 2a1h n SER 139 N -1.83 -1.28 -4.24 3.99 3.41 -0.96 -4.79 113.62 107.92 2a1h n SER 139 Ca -0.03 -1.71 -0.34 0.00 -0.26 0.00 0.00 58.87 56.53 2a1h n SER 139 Cb 0.57 2.09 -0.15 0.00 -0.26 0.00 0.00 64.21 66.46 2a1h n SER 139 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2a1h s LEU 140 N 0.00 2.72 -0.06 1.04 2.96 -0.47 -1.12 118.68 123.75 2a1h s LEU 140 Ca 0.15 -0.52 -0.25 0.00 -0.22 0.00 0.00 54.13 53.29 2a1h s LEU 140 Cb -0.02 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 2a1h s LEU 140 CO 0.05 -0.03 0.77 -0.47 -1.32 0.00 0.00 176.35 175.34 2a1h s TYR 141 N 1.41 3.58 -0.21 5.38 5.04 0.43 -0.74 117.35 132.23 2a1h s TYR 141 Ca 0.05 1.33 -0.06 0.00 -2.44 0.00 0.00 57.07 55.95 2a1h s TYR 141 Cb -0.14 -2.89 -0.03 0.00 0.35 0.00 0.00 41.96 39.25 2a1h s TYR 141 CO -0.06 0.04 0.04 0.08 -1.34 0.00 0.00 175.55 174.30 2a1h s VAL 142 N 0.98 4.29 -0.54 3.14 1.01 0.78 -1.52 120.40 128.53 2a1h s VAL 142 Ca 0.40 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.23 2a1h s VAL 142 Cb -0.18 -2.96 0.14 0.00 0.00 0.00 0.00 36.38 33.38 2a1h s VAL 142 CO 0.19 0.41 0.31 -0.60 0.00 0.00 0.00 175.10 175.41 2a1h s ARG 143 N 1.01 1.95 0.30 2.72 6.06 0.02 -2.42 118.95 128.60 2a1h s ARG 143 Ca 0.03 -2.68 -0.27 0.00 -2.50 0.00 0.00 55.73 50.31 2a1h s ARG 143 Cb -0.14 -3.15 -0.09 0.00 0.06 0.00 0.00 34.95 31.62 2a1h s ARG 143 CO 0.02 -1.16 0.97 -2.14 -2.50 0.00 0.00 175.30 170.49 2a1h s PRO 144 N -0.44 4.62 -0.01 5.12 0.02 -1.25 -2.13 135.00 140.94 2a1h s PRO 144 Ca 0.19 1.44 -0.01 0.00 0.02 0.00 0.00 61.00 62.64 2a1h s PRO 144 Cb -0.21 -2.94 0.00 0.00 0.02 0.00 0.00 34.50 31.37 2a1h s PRO 144 CO -0.04 0.29 0.02 0.08 -0.33 0.00 0.00 177.00 177.03 2a1h s VAL 145 N -1.45 0.01 -0.10 3.83 1.01 0.74 -1.35 120.40 123.09 2a1h s VAL 145 Ca 0.48 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.37 2a1h s VAL 145 Cb -0.22 -0.07 0.02 0.00 0.00 0.00 0.00 36.38 36.11 2a1h s VAL 145 CO 0.28 -0.05 -0.05 -0.22 0.00 0.00 0.00 175.10 175.06 2a1h s LEU 146 N -0.13 1.03 0.13 3.92 2.96 -0.84 -1.05 118.68 124.71 2a1h s LEU 146 Ca -0.02 -0.23 0.08 0.00 -0.22 0.00 0.00 54.13 53.75 2a1h s LEU 146 Cb -0.01 -0.70 -0.04 0.00 0.50 0.00 0.00 46.19 45.94 2a1h s LEU 146 CO -0.00 -0.13 -0.20 0.27 -1.32 0.00 0.00 176.35 174.97 2a1h s ILE 147 N 1.70 1.79 0.34 6.68 -4.36 -0.08 -1.71 121.20 125.56 2a1h s ILE 147 Ca 0.03 -1.73 -0.26 0.00 -0.26 0.00 0.00 60.65 58.44 2a1h s ILE 147 Cb -0.13 -1.71 -0.10 0.00 1.25 0.00 0.00 42.46 41.77 2a1h s ILE 147 CO -0.06 -0.17 0.96 -0.83 0.24 0.00 0.00 174.94 175.07 2a1h s GLY 148 N -2.27 2.78 -0.11 6.27 0.00 0.72 -1.02 107.32 113.69 2a1h s GLY 148 Ca 0.11 0.54 0.24 0.00 0.00 0.00 0.00 44.72 45.61 2a1h s GLY 148 CO 0.05 0.98 1.15 -2.01 0.00 0.00 0.00 173.10 173.27 2a1h n ASN 149 N 0.44 1.15 -4.72 1.64 5.15 0.66 -2.58 115.26 117.00 2a1h n ASN 149 Ca 0.02 -2.01 -0.41 0.00 -0.60 0.00 0.00 54.58 51.59 2a1h n ASN 149 Cb 0.50 -0.35 -0.04 0.00 -0.53 0.00 0.00 39.78 39.36 2a1h n ASN 149 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2a1h s GLU 150 N -1.54 4.51 -1.38 1.20 2.12 -1.23 -4.72 118.70 117.67 2a1h s GLU 150 Ca 0.30 1.14 -0.10 0.00 0.36 0.00 0.00 54.97 56.67 2a1h s GLU 150 Cb 0.35 -3.43 -0.06 0.00 0.26 0.00 0.00 34.13 31.25 2a1h s GLU 150 CO -0.11 0.07 2.57 -0.35 -0.54 0.00 0.00 175.26 176.89 2a1h n PRO 151 N 3.61 3.03 -3.80 4.30 -0.04 -1.26 -2.61 135.00 138.23 2a1h n PRO 151 Ca 0.01 -2.07 -0.13 0.00 -0.04 0.00 0.00 63.50 61.28 2a1h n PRO 151 Cb 0.51 -2.81 -0.12 0.00 -0.04 0.00 0.00 33.50 31.04 2a1h n PRO 151 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2a1h s SER 152 N 2.83 -0.21 0.00 3.54 0.15 -1.22 -4.95 113.70 113.85 2a1h s SER 152 Ca 0.58 0.41 0.15 0.00 0.70 0.00 0.00 55.95 57.79 2a1h s SER 152 Cb 0.15 0.41 0.48 0.00 -1.71 0.00 0.00 66.02 65.36 2a1h s SER 152 CO -0.05 -0.07 1.38 0.18 1.20 0.00 0.00 173.24 175.88 2a1h n LEU 153 N 2.98 2.05 -4.77 3.45 4.77 -1.26 -4.52 117.00 119.69 2a1h n LEU 153 Ca -0.13 -0.97 -0.39 0.00 -0.03 0.00 0.00 56.01 54.49 2a1h n LEU 153 Cb 0.59 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 2a1h n LEU 153 CO 0.19 0.48 0.48 -0.83 -1.33 0.00 0.00 177.39 176.39 2a1h s GLY 154 N -1.20 2.91 -0.74 -0.72 0.00 -1.26 -4.99 107.32 101.33 2a1h s GLY 154 Ca 0.29 0.36 -0.23 0.00 0.00 0.00 0.00 44.72 45.13 2a1h s GLY 154 CO 0.21 0.89 1.11 0.14 0.00 0.00 0.00 173.10 175.45 2a1h s VAL 155 N -1.07 4.16 0.34 1.40 1.01 -1.26 -4.94 120.40 120.04 2a1h s VAL 155 Ca 0.36 -0.30 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 2a1h s VAL 155 Cb -0.23 -4.79 0.03 0.00 0.00 0.00 0.00 36.38 31.39 2a1h s VAL 155 CO 0.26 -1.62 0.69 -0.94 0.00 0.00 0.00 175.10 173.49 2a1h s SER 156 N 3.80 0.07 0.08 3.32 1.04 -1.26 -5.13 113.70 115.62 2a1h s SER 156 Ca 0.29 -1.04 -0.31 0.00 0.48 0.00 0.00 55.95 55.37 2a1h s SER 156 Cb -0.12 0.76 -0.09 0.00 0.10 0.00 0.00 66.02 66.68 2a1h s SER 156 CO 0.08 -1.48 1.74 -1.58 0.98 0.00 0.00 173.24 172.97 2a1h s GLN 157 N -3.02 4.17 0.31 4.02 0.74 -1.26 -4.94 119.66 119.68 2a1h s GLN 157 Ca 0.18 2.44 -0.29 0.00 0.05 0.00 0.00 55.36 57.73 2a1h s GLN 157 Cb -0.04 -3.65 -0.11 0.00 1.10 0.00 0.00 33.01 30.31 2a1h s GLN 157 CO 0.11 -0.79 1.47 -2.14 -0.55 0.00 0.00 175.29 173.40 2a1h s PRO 158 N 2.86 4.20 0.00 1.67 0.02 -1.26 -4.91 135.00 137.57 2a1h s PRO 158 Ca 0.77 2.44 0.24 0.00 0.02 0.00 0.00 61.00 64.47 2a1h s PRO 158 Cb -0.42 -3.04 0.30 0.00 0.02 0.00 0.00 34.50 31.36 2a1h s PRO 158 CO 0.34 -0.47 1.32 0.54 -0.33 0.00 0.00 177.00 178.40 2a1h n ARG 159 N 1.55 2.37 -3.81 5.54 1.74 -1.26 -4.90 116.66 117.89 2a1h n ARG 159 Ca 0.05 -2.02 -0.12 0.00 -0.77 0.00 0.00 57.85 54.99 2a1h n ARG 159 Cb 0.39 -1.48 -0.12 0.00 -1.02 0.00 0.00 32.46 30.24 2a1h n ARG 159 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2a1h s ARG 160 N -1.84 0.27 0.13 5.56 0.52 -1.26 -2.09 118.95 120.25 2a1h s ARG 160 Ca 0.32 0.19 -0.10 0.00 -0.52 0.00 0.00 55.73 55.63 2a1h s ARG 160 Cb 0.21 0.13 -0.00 0.00 0.52 0.00 0.00 34.95 35.81 2a1h s ARG 160 CO 0.31 -0.04 0.27 0.00 0.02 0.00 0.00 175.30 175.85 2a1h s ALA 161 N -0.09 -0.19 -0.04 2.13 0.00 -0.45 -0.24 121.76 122.88 2a1h s ALA 161 Ca -0.02 -0.70 -0.00 0.00 0.00 0.00 0.00 51.96 51.24 2a1h s ALA 161 Cb -0.02 0.71 0.03 0.00 0.00 0.00 0.00 23.12 23.83 2a1h s ALA 161 CO 0.01 -0.60 -0.00 -1.17 0.00 0.00 0.00 175.76 173.99 2a1h s LEU 162 N -2.91 0.97 -0.16 0.00 2.96 -0.18 -0.91 118.68 118.44 2a1h s LEU 162 Ca 0.11 -0.04 -0.02 0.00 -0.22 0.00 0.00 54.13 53.96 2a1h s LEU 162 Cb 0.04 -0.30 -0.01 0.00 0.50 0.00 0.00 46.19 46.42 2a1h s LEU 162 CO -0.05 -0.13 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.54 2a1h s LEU 163 N 1.31 2.81 0.03 -0.68 0.20 0.13 -0.90 118.68 121.58 2a1h s LEU 163 Ca -0.06 -0.34 0.00 0.00 0.69 0.00 0.00 54.13 54.43 2a1h s LEU 163 Cb -0.13 -1.67 -0.02 0.00 -0.43 0.00 0.00 46.19 43.94 2a1h s LEU 163 CO -0.02 0.10 -0.04 0.72 -0.29 0.00 0.00 176.35 176.82 2a1h s PHE 164 N 0.76 0.36 -0.08 5.38 -0.71 -0.21 -0.32 117.98 123.16 2a1h s PHE 164 Ca -0.04 -0.63 0.01 0.00 -1.04 0.00 0.00 56.93 55.24 2a1h s PHE 164 Cb -0.15 -0.25 0.02 0.00 -1.21 0.00 0.00 43.02 41.43 2a1h s PHE 164 CO 0.01 -0.21 -0.10 0.08 -1.34 0.00 0.00 175.22 173.66 2a1h s VAL 165 N -1.91 1.05 0.14 -2.49 1.01 -0.74 -0.18 120.40 117.27 2a1h s VAL 165 Ca -0.11 -0.39 0.11 0.00 0.00 0.00 0.00 61.98 61.59 2a1h s VAL 165 Cb -0.07 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 2a1h s VAL 165 CO -0.02 0.35 -0.26 0.27 0.00 0.00 0.00 175.10 175.44 2a1h s ILE 166 N 1.02 2.21 0.07 2.22 -4.36 -0.91 -1.75 121.20 119.71 2a1h s ILE 166 Ca -0.08 -1.78 0.09 0.00 -0.26 0.00 0.00 60.65 58.61 2a1h s ILE 166 Cb -0.15 -1.97 -0.03 0.00 1.25 0.00 0.00 42.46 41.56 2a1h s ILE 166 CO -0.00 0.04 -0.23 -0.76 0.24 0.00 0.00 174.94 174.22 2a1h s LEU 167 N -2.15 2.23 -0.14 0.37 1.43 -1.26 -0.80 118.68 118.36 2a1h s LEU 167 Ca 0.14 -0.62 -0.09 0.00 -1.03 0.00 0.00 54.13 52.54 2a1h s LEU 167 Cb -0.10 -1.05 0.05 0.00 0.03 0.00 0.00 46.19 45.12 2a1h s LEU 167 CO 0.06 0.15 0.34 0.00 0.23 0.00 0.00 176.35 177.14 2a1h s PRO 169 N 1.08 4.53 -0.01 0.00 0.02 -1.25 -0.43 135.00 138.93 2a1h s PRO 169 Ca -0.07 1.81 0.07 0.00 0.02 0.00 0.00 61.00 62.82 2a1h s PRO 169 Cb -0.08 -3.26 -0.02 0.00 0.02 0.00 0.00 34.50 31.17 2a1h s PRO 169 CO -0.08 -0.03 -0.21 0.14 -0.33 0.00 0.00 177.00 176.48 2a1h s VAL 170 N -0.08 1.68 0.27 3.83 -7.23 -0.28 -4.74 120.40 113.86 2a1h s VAL 170 Ca 0.52 -0.93 -0.04 0.00 -1.81 0.00 0.00 61.98 59.72 2a1h s VAL 170 Cb -0.31 -1.40 0.06 0.00 0.56 0.00 0.00 36.38 35.29 2a1h s VAL 170 CO 0.36 0.46 0.37 0.61 -0.31 0.00 0.00 175.10 176.59 2a1h n GLY 171 N 2.51 -0.92 3.72 2.32 0.00 -1.26 -2.26 105.19 109.30 2a1h n GLY 171 Ca -0.15 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 2a1h n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a1h s ALA 172 N -3.81 3.54 0.17 4.61 0.00 -1.25 -4.65 121.76 120.36 2a1h s ALA 172 Ca 0.21 1.06 -0.13 0.00 0.00 0.00 0.00 51.96 53.10 2a1h s ALA 172 Cb -0.01 -3.50 0.06 0.00 0.00 0.00 0.00 23.12 19.67 2a1h s ALA 172 CO 0.15 -0.56 1.77 -0.92 0.00 0.00 0.00 175.76 176.21 2a1h h TYR 173 N 6.46 0.77 -3.42 0.00 3.20 -1.86 -3.42 116.97 118.69 2a1h h TYR 173 Ca -0.43 -0.02 -0.59 0.00 3.14 0.00 0.00 58.73 60.83 2a1h h TYR 173 Cb 1.21 -0.24 -0.09 0.00 1.54 0.00 0.00 36.73 39.14 2a1h h TYR 173 CO 0.65 0.57 -0.03 -0.06 -1.64 0.00 0.00 178.16 177.65 2a1h s PHE 174 N -5.82 3.41 -0.70 -3.82 0.08 -1.26 -5.00 117.98 104.87 2a1h s PHE 174 Ca -0.13 0.85 -0.25 0.00 0.12 0.00 0.00 56.93 57.52 2a1h s PHE 174 Cb 0.12 -2.67 -0.13 0.00 -0.57 0.00 0.00 43.02 39.77 2a1h s PHE 174 CO 0.77 -0.04 2.42 -0.35 -0.10 0.00 0.00 175.22 177.91 2a1h n PRO 175 N 4.53 0.67 0.00 0.24 -0.04 -1.26 -3.58 135.00 135.55 2a1h n PRO 175 Ca -0.05 -0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.02 2a1h n PRO 175 Cb 0.51 -3.24 0.00 0.00 -0.04 0.00 0.00 33.50 30.73 2a1h n PRO 175 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2a1h n GLY 176 N 6.37 2.02 0.00 0.55 0.00 -1.26 -4.59 105.19 108.28 2a1h n GLY 176 Ca 0.46 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2a1h n GLY 176 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a1h n GLY 177 N 0.00 0.00 3.10 -0.02 0.00 -1.23 -5.03 105.19 102.00 2a1h n GLY 177 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2a1h n GLY 177 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a1h s SER 178 N 0.00 1.61 0.06 1.61 0.01 -1.26 -5.09 113.70 110.64 2a1h s SER 178 Ca 0.00 -0.25 -0.30 0.00 1.31 0.00 0.00 55.95 56.71 2a1h s SER 178 Cb 0.00 -0.18 -0.09 0.00 0.21 0.00 0.00 66.02 65.96 2a1h s SER 178 CO 0.00 0.17 1.92 0.68 0.41 0.00 0.00 173.24 176.42 2a1h s VAL 179 N -0.32 2.90 -0.14 3.43 -7.23 -1.26 -4.67 120.40 113.11 2a1h s VAL 179 Ca 0.05 0.06 -0.01 0.00 -1.81 0.00 0.00 61.98 60.27 2a1h s VAL 179 Cb -0.05 -3.04 -0.01 0.00 0.56 0.00 0.00 36.38 33.84 2a1h s VAL 179 CO -0.01 -0.00 -0.12 0.42 -0.31 0.00 0.00 175.10 175.08 2a1h s THR 180 N 3.95 3.07 0.63 5.32 -4.23 -1.26 -5.07 115.64 118.05 2a1h s THR 180 Ca 0.86 -0.65 -0.11 0.00 -1.18 0.00 0.00 61.69 60.61 2a1h s THR 180 Cb -0.43 -2.30 -0.03 0.00 1.34 0.00 0.00 72.50 71.07 2a1h s THR 180 CO 0.40 0.51 1.04 -2.16 -0.54 0.00 0.00 174.62 173.87 2a1h s PRO 181 N 0.52 3.49 0.12 3.99 0.04 -1.26 -4.55 135.00 137.34 2a1h s PRO 181 Ca -0.08 0.74 0.10 0.00 0.04 0.00 0.00 61.00 61.80 2a1h s PRO 181 Cb -0.16 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 2a1h s PRO 181 CO 0.04 -0.65 -0.25 0.14 0.04 0.00 0.00 177.00 176.32 2a1h s VAL 182 N -3.19 2.06 -0.07 -0.36 -7.23 -0.45 -4.87 120.40 106.30 2a1h s VAL 182 Ca 0.55 -1.66 -0.05 0.00 -1.81 0.00 0.00 61.98 59.02 2a1h s VAL 182 Cb -0.11 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 2a1h s VAL 182 CO 0.54 0.05 0.13 -0.94 -0.31 0.00 0.00 175.10 174.57 2a1h s SER 183 N -1.96 6.18 -0.01 4.85 1.04 -1.26 -2.07 113.70 120.47 2a1h s SER 183 Ca 0.11 0.37 0.08 0.00 0.48 0.00 0.00 55.95 56.99 2a1h s SER 183 Cb -0.10 -1.94 -0.02 0.00 0.10 0.00 0.00 66.02 64.06 2a1h s SER 183 CO 0.05 0.35 -0.24 -0.76 0.98 0.00 0.00 173.24 173.62 2a1h s LEU 184 N -1.35 2.07 -0.22 2.42 1.43 0.28 -1.22 118.68 122.08 2a1h s LEU 184 Ca 0.19 -0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 52.69 2a1h s LEU 184 Cb -0.12 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 2a1h s LEU 184 CO 0.09 0.29 0.32 -0.22 0.23 0.00 0.00 176.35 177.06 2a1h s LEU 185 N -0.67 4.13 -0.49 1.79 2.96 -0.71 0.07 118.68 125.75 2a1h s LEU 185 Ca 0.10 0.36 0.02 0.00 -0.22 0.00 0.00 54.13 54.39 2a1h s LEU 185 Cb -0.09 -2.37 0.13 0.00 0.50 0.00 0.00 46.19 44.35 2a1h s LEU 185 CO -0.00 -0.05 0.25 0.00 -1.32 0.00 0.00 176.35 175.23 2a1h s ALA 186 N 1.33 3.26 -0.16 5.97 0.00 0.05 -0.76 121.76 131.44 2a1h s ALA 186 Ca 0.15 -3.06 0.01 0.00 0.00 0.00 0.00 51.96 49.05 2a1h s ALA 186 Cb -0.14 -2.24 0.02 0.00 0.00 0.00 0.00 23.12 20.76 2a1h s ALA 186 CO 0.07 -1.95 -0.16 0.34 0.00 0.00 0.00 175.76 174.06 2a1h s ASP 187 N 0.31 2.92 0.13 0.00 -1.08 -1.26 -3.91 116.67 113.78 2a1h s ASP 187 Ca 0.15 -0.58 0.10 0.00 -0.52 0.00 0.00 52.55 51.70 2a1h s ASP 187 Cb -0.23 -1.31 0.53 0.00 -1.46 0.00 0.00 42.92 40.46 2a1h s ASP 187 CO -0.03 -0.04 1.32 -0.81 0.52 0.00 0.00 175.17 176.13 2a1h n PRO 188 N 4.70 0.06 0.27 4.34 -0.04 -1.26 -2.67 135.00 140.41 2a1h n PRO 188 Ca -0.18 0.53 0.16 0.00 -0.04 0.00 0.00 63.50 63.97 2a1h n PRO 188 Cb 0.50 -1.69 0.68 0.00 -0.04 0.00 0.00 33.50 32.94 2a1h n PRO 188 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2a1h h ALA 189 N 2.05 1.02 -3.03 0.55 0.00 -1.95 -3.42 119.26 114.47 2a1h h ALA 189 Ca 0.00 -0.04 -0.63 0.00 0.00 0.00 0.00 54.91 54.25 2a1h h ALA 189 Cb 0.04 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 17.67 2a1h h ALA 189 CO 0.00 0.05 -0.52 -0.06 0.00 0.00 0.00 179.25 178.72 2a1h s PHE 190 N -3.71 3.27 -0.15 0.00 2.99 -1.09 -5.08 117.98 114.21 2a1h s PHE 190 Ca 0.01 0.16 0.02 0.00 0.00 0.00 0.00 56.93 57.11 2a1h s PHE 190 Cb 0.09 -2.29 0.01 0.00 0.00 0.00 0.00 43.02 40.84 2a1h s PHE 190 CO 0.55 -0.02 -0.21 0.42 -0.00 0.00 0.00 175.22 175.96 2a1h s ILE 191 N 1.26 2.04 -0.12 0.64 -1.09 -1.26 -4.40 121.20 118.27 2a1h s ILE 191 Ca 0.07 -0.95 -0.18 0.00 -2.23 0.00 0.00 60.65 57.36 2a1h s ILE 191 Cb -0.14 -1.81 -0.26 0.00 -1.58 0.00 0.00 42.46 38.66 2a1h s ILE 191 CO 0.06 0.54 0.55 -0.09 -1.23 0.00 0.00 174.94 174.77 2a1h h ARG 192 N 7.49 0.20 -3.81 2.79 2.43 -1.96 -3.49 114.38 118.02 2a1h h ARG 192 Ca -0.36 -0.34 -0.09 0.00 -0.81 0.00 0.00 59.98 58.38 2a1h h ARG 192 Cb 1.18 0.13 -0.12 0.00 -0.42 0.00 0.00 29.97 30.73 2a1h h ARG 192 CO 0.57 1.16 -0.28 0.00 -1.51 0.00 0.00 179.97 179.91 2a1h s ALA 193 N -2.44 -0.12 0.04 2.80 0.00 -1.26 -4.88 121.76 115.90 2a1h s ALA 193 Ca -0.21 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 50.97 2a1h s ALA 193 Cb 0.04 0.83 -0.03 0.00 0.00 0.00 0.00 23.12 23.96 2a1h s ALA 193 CO 0.74 -0.65 -0.05 1.67 0.00 0.00 0.00 175.76 177.47 2a1h s TRP 194 N -3.95 0.48 0.06 0.00 -2.14 -1.26 -4.96 118.94 107.17 2a1h s TRP 194 Ca 0.15 -0.69 -0.31 0.00 2.66 0.00 0.00 56.10 57.92 2a1h s TRP 194 Cb 0.03 -0.32 -0.08 0.00 -3.10 0.00 0.00 33.47 30.00 2a1h s TRP 194 CO -0.01 -0.20 1.67 0.08 -2.66 0.00 0.00 176.95 175.82 2a1h s VAL 195 N -2.24 3.06 0.00 -0.66 1.01 -1.26 -0.67 120.40 119.64 2a1h s VAL 195 Ca -0.06 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.39 2a1h s VAL 195 Cb -0.04 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 33.03 2a1h s VAL 195 CO -0.03 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.67 2a1h n GLY 196 N 4.03 0.65 0.00 4.51 0.00 -1.26 -5.05 105.19 108.07 2a1h n GLY 196 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2a1h n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a1h n GLY 197 N -2.03 1.69 0.23 -0.02 0.00 0.16 -5.07 105.19 100.15 2a1h n GLY 197 Ca 0.00 -1.79 0.06 0.00 0.00 0.00 0.00 46.02 44.29 2a1h n GLY 197 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2a1h n VAL 198 N 0.00 1.17 0.36 1.61 0.24 -1.26 -4.81 118.33 115.64 2a1h n VAL 198 Ca 0.00 -1.41 0.13 0.00 -2.04 0.00 0.00 64.34 61.02 2a1h n VAL 198 Cb 0.00 0.04 0.53 0.00 -1.47 0.00 0.00 33.84 32.94 2a1h n VAL 198 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2a1h h GLY 199 N 0.00 0.00 -0.90 7.63 0.00 -1.84 -2.64 103.07 105.33 2a1h h GLY 199 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2a1h h GLY 199 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.70 2a1h n ASN 200 N -2.35 1.52 -4.25 0.19 2.04 -1.16 -3.72 115.26 107.53 2a1h n ASN 200 Ca 0.02 -1.86 -0.24 0.00 -0.44 0.00 0.00 54.58 52.05 2a1h n ASN 200 Cb 0.22 -0.16 -0.13 0.00 -2.53 0.00 0.00 39.78 37.18 2a1h n ASN 200 CO 0.00 0.00 0.00 -0.31 -0.44 0.00 0.00 177.26 176.51 2a1h s TYR 201 N -1.69 1.75 -1.32 -2.53 2.02 -0.99 -4.45 117.35 110.13 2a1h s TYR 201 Ca 0.25 -0.39 -0.10 0.00 -0.37 0.00 0.00 57.07 56.46 2a1h s TYR 201 Cb 0.13 -1.02 0.14 0.00 -0.40 0.00 0.00 41.96 40.81 2a1h s TYR 201 CO 0.18 0.12 1.98 1.17 -1.57 0.00 0.00 175.55 177.44 2a1h n LYS 202 N 1.60 3.51 -3.88 -0.62 4.81 -1.26 -4.95 118.16 117.36 2a1h n LYS 202 Ca -0.18 -3.33 -0.36 0.00 -0.87 0.00 0.00 58.31 53.57 2a1h n LYS 202 Cb 0.53 -2.98 -0.06 0.00 0.02 0.00 0.00 35.03 32.55 2a1h n LYS 202 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2a1h s LEU 203 N 0.23 4.39 0.37 3.14 1.43 -1.26 -1.96 118.68 125.01 2a1h s LEU 203 Ca 0.42 0.44 0.13 0.00 -1.03 0.00 0.00 54.13 54.09 2a1h s LEU 203 Cb 0.11 -2.23 0.94 0.00 0.03 0.00 0.00 46.19 45.04 2a1h s LEU 203 CO -0.02 0.37 1.82 1.23 0.23 0.00 0.00 176.35 179.98 2a1h h GLY 204 N 4.65 1.27 1.41 -3.19 0.00 -1.85 -1.88 103.07 103.49 2a1h h GLY 204 Ca -0.53 -0.26 0.06 0.00 0.00 0.00 0.00 47.33 46.59 2a1h h GLY 204 CO 0.61 -0.03 0.24 -1.33 0.00 0.00 0.00 176.54 176.03 2a1h h GLY 205 N 0.56 0.00 2.00 4.60 0.00 -1.86 -1.13 103.07 107.24 2a1h h GLY 205 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 2a1h h GLY 205 CO -0.27 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.97 2a1h n ASN 206 N -3.74 0.44 -0.12 0.19 5.03 -0.70 -4.29 115.26 112.07 2a1h n ASN 206 Ca 0.02 0.54 -0.16 0.00 0.87 0.00 0.00 54.58 55.86 2a1h n ASN 206 Cb 0.36 -0.66 -0.11 0.00 -1.02 0.00 0.00 39.78 38.35 2a1h n ASN 206 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2a1h n TYR 207 N -1.92 0.00 -0.14 3.10 4.02 -0.43 -4.55 117.16 117.25 2a1h n TYR 207 Ca 0.06 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.91 2a1h n TYR 207 Cb 0.38 -0.91 0.03 0.00 -0.02 0.00 0.00 39.34 38.81 2a1h n TYR 207 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2a1h h GLY 208 N 1.97 0.34 2.00 2.72 0.00 -1.74 -1.87 103.07 106.50 2a1h h GLY 208 Ca -0.53 0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.94 2a1h h GLY 208 CO -0.07 -0.16 0.00 -2.55 0.00 0.00 0.00 176.54 173.75 2a1h h PRO 209 N 0.01 0.00 0.00 4.80 0.11 -1.82 -2.71 132.00 132.40 2a1h h PRO 209 Ca 0.21 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 2a1h h PRO 209 Cb 0.33 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.44 2a1h h PRO 209 CO -0.45 0.00 -0.05 1.79 -0.21 0.00 0.00 178.00 179.09 2a1h h THR 210 N 0.00 0.09 -0.23 -1.15 1.35 -1.57 -3.36 112.91 108.04 2a1h h THR 210 Ca 0.00 -1.00 0.04 0.00 -0.55 0.00 0.00 66.41 64.89 2a1h h THR 210 Cb 0.08 1.93 -0.04 0.00 -1.73 0.00 0.00 68.15 68.40 2a1h h THR 210 CO 0.00 0.05 -0.01 0.58 -0.25 0.00 0.00 175.52 175.89 2a1h h VAL 211 N 0.00 0.83 -0.36 6.82 2.07 -1.56 -0.48 116.25 123.57 2a1h h VAL 211 Ca -0.00 -0.02 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 2a1h h VAL 211 Cb 0.93 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 2a1h h VAL 211 CO 0.01 0.01 -0.11 0.25 0.02 0.00 0.00 177.57 177.74 2a1h h LEU 212 N 0.06 0.61 -0.61 2.57 5.85 -1.80 -2.04 115.31 119.96 2a1h h LEU 212 Ca 0.11 -0.17 -0.13 0.00 0.84 0.00 0.00 57.88 58.53 2a1h h LEU 212 Cb 0.14 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2a1h h LEU 212 CO -0.19 0.76 -0.26 0.58 -0.34 0.00 0.00 178.44 178.99 2a1h h VAL 213 N 0.58 1.27 -0.35 1.05 2.07 -1.64 -1.69 116.25 117.54 2a1h h VAL 213 Ca 0.10 -1.40 -0.09 0.00 0.82 0.00 0.00 66.70 66.13 2a1h h VAL 213 Cb 0.54 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 2a1h h VAL 213 CO 0.03 0.47 -0.17 -0.61 0.02 0.00 0.00 177.57 177.31 2a1h h GLN 214 N 0.70 0.65 -0.06 1.57 5.75 -0.80 -1.46 115.11 121.46 2a1h h GLN 214 Ca 0.09 -0.23 -0.09 0.00 -0.15 0.00 0.00 58.65 58.27 2a1h h GLN 214 Cb 0.80 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.29 2a1h h GLN 214 CO 0.07 0.79 -0.40 1.96 -2.65 0.00 0.00 178.83 178.59 2a1h h GLN 215 N 0.58 0.12 -0.10 1.69 4.20 -1.09 -1.90 115.11 118.61 2a1h h GLN 215 Ca 0.09 -0.05 -0.15 0.00 0.06 0.00 0.00 58.65 58.60 2a1h h GLN 215 Cb 0.62 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 2a1h h GLN 215 CO 0.04 0.50 -0.59 1.49 -0.67 0.00 0.00 178.83 179.61 2a1h h GLU 216 N 0.10 0.32 -0.42 1.46 4.57 -0.72 -1.61 114.58 118.28 2a1h h GLU 216 Ca 0.01 -0.21 -0.08 0.00 -1.18 0.00 0.00 59.36 57.90 2a1h h GLU 216 Cb 0.75 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.36 2a1h h GLU 216 CO 0.06 0.81 -0.04 0.00 -1.18 0.00 0.00 179.01 178.66 2a1h h ALA 217 N 1.14 0.57 -0.58 2.92 0.00 -0.78 -2.21 119.26 120.32 2a1h h ALA 217 Ca -0.00 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 2a1h h ALA 217 Cb 1.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2a1h h ALA 217 CO 0.10 0.39 0.06 -0.07 0.00 0.00 0.00 179.25 179.73 2a1h h LEU 218 N 0.60 0.92 -1.45 0.00 3.38 -1.21 0.14 115.31 117.69 2a1h h LEU 218 Ca 0.12 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 2a1h h LEU 218 Cb 0.54 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2a1h h LEU 218 CO 0.03 0.94 -0.22 0.11 0.09 0.00 0.00 178.44 179.39 2a1h h LYS 219 N 0.90 0.00 -0.68 1.13 1.57 -1.12 -2.43 116.57 115.93 2a1h h LYS 219 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2a1h h LYS 219 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2a1h h LYS 219 CO 0.02 0.22 0.00 0.54 -0.57 0.00 0.00 179.45 179.65 2a1h n ARG 220 N -3.58 3.09 -0.98 3.15 1.74 -0.85 -4.95 116.66 114.28 2a1h n ARG 220 Ca -0.01 -2.61 0.00 0.00 -0.77 0.00 0.00 57.85 54.46 2a1h n ARG 220 Cb 0.36 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 2a1h n ARG 220 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2a1h n GLY 221 N 1.37 0.39 3.53 -0.13 0.00 -0.91 -5.05 105.19 104.40 2a1h n GLY 221 Ca 0.24 -1.06 -0.27 0.00 0.00 0.00 0.00 46.02 44.93 2a1h n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a1h h GLU 223 N 3.07 0.30 -5.06 0.00 3.07 -1.42 -3.01 114.58 111.53 2a1h h GLU 223 Ca -0.47 -0.51 -0.49 0.00 -0.50 0.00 0.00 59.36 57.39 2a1h h GLU 223 Cb 1.20 0.19 -0.14 0.00 -0.84 0.00 0.00 28.75 29.16 2a1h h GLU 223 CO 0.52 1.18 -0.56 -0.65 -1.40 0.00 0.00 179.01 178.10 2a1h s GLN 224 N -2.58 1.74 -0.15 2.33 -1.52 -0.79 -4.86 119.66 113.81 2a1h s GLN 224 Ca -0.15 -2.01 -0.04 0.00 -1.95 0.00 0.00 55.36 51.21 2a1h s GLN 224 Cb 0.06 -0.59 -0.03 0.00 -0.22 0.00 0.00 33.01 32.23 2a1h s GLN 224 CO 0.83 -0.36 -0.03 0.08 -0.25 0.00 0.00 175.29 175.56 2a1h s VAL 225 N -3.35 3.92 -0.43 1.09 1.01 -1.26 -1.74 120.40 119.64 2a1h s VAL 225 Ca 0.31 -0.35 -0.18 0.00 0.00 0.00 0.00 61.98 61.76 2a1h s VAL 225 Cb 0.05 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 33.75 2a1h s VAL 225 CO 0.15 0.50 0.47 -0.22 0.00 0.00 0.00 175.10 176.00 2a1h s LEU 226 N 0.29 4.90 -0.33 3.92 2.96 0.06 0.32 118.68 130.79 2a1h s LEU 226 Ca -0.03 -0.72 -0.29 0.00 -0.22 0.00 0.00 54.13 52.87 2a1h s LEU 226 Cb -0.14 -2.40 0.01 0.00 0.50 0.00 0.00 46.19 44.15 2a1h s LEU 226 CO 0.03 -0.63 1.25 0.26 -1.32 0.00 0.00 176.35 175.94 2a1h s TRP 227 N 2.20 2.76 0.10 5.38 0.52 -0.35 -4.42 118.94 125.13 2a1h s TRP 227 Ca 0.13 0.89 -0.05 0.00 0.02 0.00 0.00 56.10 57.09 2a1h s TRP 227 Cb -0.17 -3.97 -0.05 0.00 -1.15 0.00 0.00 33.47 28.13 2a1h s TRP 227 CO 0.13 -1.52 0.33 -0.51 0.02 0.00 0.00 176.95 175.41 2a1h s LEU 228 N 4.35 4.31 0.01 2.99 1.43 -1.26 -1.18 118.68 129.33 2a1h s LEU 228 Ca 0.54 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 54.19 2a1h s LEU 228 Cb -0.14 -3.11 -0.01 0.00 0.03 0.00 0.00 46.19 42.96 2a1h s LEU 228 CO 0.24 0.12 -0.01 -0.47 0.23 0.00 0.00 176.35 176.45 2a1h s TYR 229 N -1.55 0.11 0.11 0.29 5.04 -0.28 -4.71 117.35 116.36 2a1h s TYR 229 Ca 0.37 -0.17 0.00 0.00 -2.44 0.00 0.00 57.07 54.83 2a1h s TYR 229 Cb -0.13 -0.08 0.00 0.00 0.35 0.00 0.00 41.96 42.10 2a1h s TYR 229 CO 0.23 -0.06 0.00 0.41 -1.34 0.00 0.00 175.55 174.79 2a1h n GLY 230 N 2.62 -1.92 0.25 8.97 0.00 -1.26 -0.34 105.19 113.50 2a1h n GLY 230 Ca -0.16 -1.41 0.11 0.00 0.00 0.00 0.00 46.02 44.55 2a1h n GLY 230 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2a1h h PRO 231 N -0.34 0.00 -0.43 1.61 0.11 -2.01 -2.62 132.00 128.33 2a1h h PRO 231 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2a1h h PRO 231 Cb 0.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.44 2a1h h PRO 231 CO 0.01 0.17 0.00 -0.40 -0.21 0.00 0.00 178.00 177.57 2a1h n ASP 232 N -3.71 2.29 -3.70 -2.05 5.75 -1.26 -4.98 116.55 108.89 2a1h n ASP 232 Ca -0.02 -2.00 -0.28 0.00 -0.01 0.00 0.00 54.79 52.48 2a1h n ASP 232 Cb 0.28 -0.28 0.02 0.00 -1.03 0.00 0.00 41.12 40.11 2a1h n ASP 232 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2a1h n HIS 233 N 0.75 -1.99 -2.39 2.11 8.25 -0.99 -4.09 115.22 116.87 2a1h n HIS 233 Ca 0.14 0.57 -0.41 0.00 -0.26 0.00 0.00 57.72 57.76 2a1h n HIS 233 Cb 0.36 -3.23 -0.04 0.00 1.12 0.00 0.00 29.99 28.20 2a1h n HIS 233 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2a1h s GLN 234 N -5.59 4.52 -0.17 -0.41 -0.21 0.53 -1.81 119.66 116.52 2a1h s GLN 234 Ca 0.30 1.86 -0.29 0.00 0.02 0.00 0.00 55.36 57.25 2a1h s GLN 234 Cb -0.12 -3.23 -0.00 0.00 1.00 0.00 0.00 33.01 30.66 2a1h s GLN 234 CO 0.88 -0.02 1.00 -0.51 -2.12 0.00 0.00 175.29 174.51 2a1h s LEU 235 N -0.52 4.17 -0.04 2.90 1.02 0.48 -1.13 118.68 125.56 2a1h s LEU 235 Ca 0.51 1.41 -0.09 0.00 0.02 0.00 0.00 54.13 55.98 2a1h s LEU 235 Cb -0.32 -3.50 -0.03 0.00 0.02 0.00 0.00 46.19 42.35 2a1h s LEU 235 CO 0.38 -0.54 -0.17 0.35 0.02 0.00 0.00 176.35 176.38 2a1h n THR 236 N 4.93 1.37 -4.13 5.49 -2.24 -0.32 -4.58 114.28 114.79 2a1h n THR 236 Ca 0.10 0.27 -0.10 0.00 -2.27 0.00 0.00 64.05 62.05 2a1h n THR 236 Cb 0.48 -1.97 -0.10 0.00 -2.10 0.00 0.00 70.33 66.64 2a1h n THR 236 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2a1h s GLU 237 N -2.45 0.72 -0.43 -0.78 0.41 -1.24 -4.15 118.70 110.77 2a1h s GLU 237 Ca -0.14 -1.21 -0.04 0.00 -0.41 0.00 0.00 54.97 53.17 2a1h s GLU 237 Cb 0.02 -0.09 0.11 0.00 -1.78 0.00 0.00 34.13 32.40 2a1h s GLU 237 CO 0.21 -0.04 0.24 0.08 -0.49 0.00 0.00 175.26 175.26 2a1h s VAL 238 N -3.36 3.44 0.00 2.63 1.01 -0.02 -1.21 120.40 122.89 2a1h s VAL 238 Ca 0.07 -2.07 0.00 0.00 0.00 0.00 0.00 61.98 59.98 2a1h s VAL 238 Cb 0.04 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2a1h s VAL 238 CO -0.05 -0.71 0.00 0.61 0.00 0.00 0.00 175.10 174.94 2a1h n GLY 239 N 4.58 2.16 2.16 4.51 0.00 0.15 -0.78 105.19 117.97 2a1h n GLY 239 Ca -0.02 0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 2a1h n GLY 239 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a1h n THR 240 N 0.00 2.42 -4.22 2.61 -2.24 -1.26 -4.93 114.28 106.67 2a1h n THR 240 Ca 0.00 -4.31 -0.15 0.00 -2.27 0.00 0.00 64.05 57.32 2a1h n THR 240 Cb 0.00 -1.04 -0.11 0.00 -2.10 0.00 0.00 70.33 67.08 2a1h n THR 240 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2a1h s MET 241 N -3.59 0.96 0.40 -0.78 -1.94 0.04 -4.91 119.30 109.47 2a1h s MET 241 Ca 0.49 -1.27 -0.17 0.00 -1.71 0.00 0.00 55.69 53.02 2a1h s MET 241 Cb 0.40 -0.65 -0.10 0.00 2.01 0.00 0.00 34.83 36.49 2a1h s MET 241 CO -0.01 0.10 0.86 -0.80 -0.01 0.00 0.00 175.02 175.16 2a1h s ASN 242 N -2.68 6.81 -0.09 3.03 0.01 0.17 -0.84 114.94 121.35 2a1h s ASN 242 Ca 0.10 1.48 -0.03 0.00 -0.71 0.00 0.00 52.86 53.70 2a1h s ASN 242 Cb -0.02 -2.46 -0.03 0.00 0.41 0.00 0.00 41.25 39.15 2a1h s ASN 242 CO 0.01 -0.33 0.03 -0.51 -1.51 0.00 0.00 177.10 174.79 2a1h s ILE 243 N -2.17 4.54 -0.00 0.60 2.07 -1.26 -0.14 121.20 124.84 2a1h s ILE 243 Ca 0.58 -0.16 0.04 0.00 -1.41 0.00 0.00 60.65 59.70 2a1h s ILE 243 Cb -0.10 -2.93 -0.01 0.00 0.13 0.00 0.00 42.46 39.56 2a1h s ILE 243 CO 0.18 0.61 -0.13 -0.36 -1.91 0.00 0.00 174.94 173.33 2a1h s PHE 244 N -0.89 1.15 -0.07 3.50 0.40 0.24 -4.23 117.98 118.08 2a1h s PHE 244 Ca 0.13 -0.24 0.03 0.00 -0.60 0.00 0.00 56.93 56.25 2a1h s PHE 244 Cb -0.11 -0.73 0.01 0.00 0.51 0.00 0.00 43.02 42.69 2a1h s PHE 244 CO 0.03 -0.01 -0.15 0.08 0.70 0.00 0.00 175.22 175.86 2a1h s VAL 245 N -0.38 1.35 -0.26 -0.44 1.01 -0.47 -1.41 120.40 119.80 2a1h s VAL 245 Ca 0.04 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 2a1h s VAL 245 Cb -0.05 -1.21 0.03 0.00 0.00 0.00 0.00 36.38 35.14 2a1h s VAL 245 CO -0.00 0.40 -0.03 -0.47 0.00 0.00 0.00 175.10 175.00 2a1h s TYR 246 N 0.58 3.10 0.36 5.22 5.04 0.89 -1.16 117.35 131.39 2a1h s TYR 246 Ca -0.15 -1.50 -0.10 0.00 -2.44 0.00 0.00 57.07 52.87 2a1h s TYR 246 Cb -0.16 -2.10 0.03 0.00 0.35 0.00 0.00 41.96 40.08 2a1h s TYR 246 CO 0.05 -0.71 0.65 1.67 -1.34 0.00 0.00 175.55 175.87 2a1h s TRP 247 N 1.34 0.50 -0.34 4.97 -2.14 -0.44 -1.02 118.94 121.81 2a1h s TRP 247 Ca -0.00 -0.97 -0.13 0.00 2.66 0.00 0.00 56.10 57.66 2a1h s TRP 247 Cb -0.17 0.44 -0.01 0.00 -3.10 0.00 0.00 33.47 30.62 2a1h s TRP 247 CO -0.03 -1.36 0.23 0.99 -2.66 0.00 0.00 176.95 174.12 2a1h s THR 248 N -2.73 5.22 1.09 0.66 2.01 -0.47 -0.26 115.64 121.16 2a1h s THR 248 Ca 0.22 -0.25 -0.15 0.00 0.31 0.00 0.00 61.69 61.81 2a1h s THR 248 Cb -0.03 -3.69 0.23 0.00 0.01 0.00 0.00 72.50 69.02 2a1h s THR 248 CO 0.15 -0.01 1.11 -2.28 -0.69 0.00 0.00 174.62 172.89 2a1h s HIS 249 N 1.71 1.38 0.66 4.92 2.46 -0.12 -4.80 115.29 121.50 2a1h s HIS 249 Ca 0.06 0.74 0.41 0.00 0.47 0.00 0.00 55.06 56.74 2a1h s HIS 249 Cb -0.17 -3.37 2.26 0.00 -0.13 0.00 0.00 32.58 31.17 2a1h s HIS 249 CO 0.10 -3.34 2.31 0.93 -2.47 0.00 0.00 174.74 172.27 2a1h h GLU 250 N -2.21 0.00 -0.12 2.88 5.08 -1.98 -0.99 114.58 117.25 2a1h h GLU 250 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2a1h h GLU 250 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2a1h h GLU 250 CO 0.47 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.08 2a1h n ASP 251 N -3.18 2.02 0.00 1.42 3.85 -1.26 -4.95 116.55 114.45 2a1h n ASP 251 Ca -0.03 -1.71 0.00 0.00 -0.71 0.00 0.00 54.79 52.34 2a1h n ASP 251 Cb 0.11 -0.07 0.00 0.00 -1.35 0.00 0.00 41.12 39.81 2a1h n ASP 251 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2a1h n GLY 252 N 1.22 0.72 3.81 6.12 0.00 -0.37 -5.06 105.19 111.64 2a1h n GLY 252 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 2a1h n GLY 252 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a1h s VAL 253 N -2.50 5.35 -0.06 1.61 1.01 -1.26 -4.82 120.40 119.74 2a1h s VAL 253 Ca 0.00 0.42 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 2a1h s VAL 253 Cb 0.00 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 2a1h s VAL 253 CO 0.00 0.53 1.28 -0.22 0.00 0.00 0.00 175.10 176.70 2a1h s LEU 254 N -0.49 4.28 0.07 3.92 2.96 -1.26 -0.95 118.68 127.21 2a1h s LEU 254 Ca 0.16 1.90 -0.11 0.00 -0.22 0.00 0.00 54.13 55.86 2a1h s LEU 254 Cb -0.13 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 43.01 2a1h s LEU 254 CO 0.05 -0.66 0.25 -1.83 -1.32 0.00 0.00 176.35 172.83 2a1h s GLU 255 N 2.52 0.83 -0.18 1.98 -1.05 0.64 -2.09 118.70 121.36 2a1h s GLU 255 Ca 0.59 -0.75 -0.02 0.00 -0.15 0.00 0.00 54.97 54.63 2a1h s GLU 255 Cb -0.26 0.35 -0.01 0.00 -0.44 0.00 0.00 34.13 33.77 2a1h s GLU 255 CO 0.22 -0.27 -0.09 -1.17 0.95 0.00 0.00 175.26 174.90 2a1h s LEU 256 N -2.51 2.76 0.04 1.83 2.96 -0.16 -1.33 118.68 122.28 2a1h s LEU 256 Ca 0.00 -0.39 0.06 0.00 -0.22 0.00 0.00 54.13 53.58 2a1h s LEU 256 Cb 0.02 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 2a1h s LEU 256 CO -0.08 0.05 -0.17 0.54 -1.32 0.00 0.00 176.35 175.37 2a1h s VAL 257 N 1.03 1.35 0.00 1.68 0.11 -0.31 -1.46 120.40 122.82 2a1h s VAL 257 Ca -0.00 -1.11 -0.03 0.00 -2.93 0.00 0.00 61.98 57.91 2a1h s VAL 257 Cb -0.15 -1.21 -0.01 0.00 -1.53 0.00 0.00 36.38 33.49 2a1h s VAL 257 CO -0.01 0.07 0.04 0.28 -3.33 0.00 0.00 175.10 172.15 2a1h s THR 258 N -0.86 0.08 0.52 5.04 -1.32 -1.00 -1.37 115.64 116.73 2a1h s THR 258 Ca 0.04 -0.64 -0.23 0.00 -1.21 0.00 0.00 61.69 59.65 2a1h s THR 258 Cb -0.08 -0.28 -0.06 0.00 -1.51 0.00 0.00 72.50 70.57 2a1h s THR 258 CO 0.02 -0.35 1.39 -2.84 -2.21 0.00 0.00 174.62 170.63 2a1h s PRO 259 N -1.10 3.29 0.73 7.08 0.02 -1.24 -0.99 135.00 142.80 2a1h s PRO 259 Ca -0.12 2.33 -0.11 0.00 0.02 0.00 0.00 61.00 63.11 2a1h s PRO 259 Cb -0.07 -2.38 0.03 0.00 0.02 0.00 0.00 34.50 32.10 2a1h s PRO 259 CO 0.00 -1.10 1.10 -1.25 -0.33 0.00 0.00 177.00 175.42 2a1h s PRO 260 N -2.77 2.62 -1.32 5.54 0.04 -1.26 -4.69 135.00 133.16 2a1h s PRO 260 Ca 0.68 0.49 -0.14 0.00 0.04 0.00 0.00 61.00 62.07 2a1h s PRO 260 Cb -0.42 -1.99 0.10 0.00 0.04 0.00 0.00 34.50 32.23 2a1h s PRO 260 CO 0.51 -1.21 1.83 1.28 0.04 0.00 0.00 177.00 179.45 2a1h n LEU 261 N -3.13 5.83 -0.93 -3.56 4.77 -1.26 -4.65 117.00 114.06 2a1h n LEU 261 Ca 0.07 -4.23 0.12 0.00 -0.03 0.00 0.00 56.01 51.94 2a1h n LEU 261 Cb 0.57 -1.65 0.10 0.00 -2.33 0.00 0.00 43.42 40.11 2a1h n LEU 261 CO 0.57 0.75 0.62 -0.46 -1.33 0.00 0.00 177.39 177.54 2a1h n ASN 262 N 6.37 2.95 0.00 -1.43 6.94 -1.26 -4.97 115.26 123.86 2a1h n ASN 262 Ca 0.46 -1.96 0.00 0.00 -0.02 0.00 0.00 54.58 53.05 2a1h n ASN 262 Cb 0.42 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.83 2a1h n ASN 262 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2a1h n GLY 263 N 1.31 1.39 0.34 4.83 0.00 -1.26 -4.83 105.19 106.97 2a1h n GLY 263 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.27 2a1h n GLY 263 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2a1h n VAL 264 N 0.00 0.00 -4.31 1.61 0.24 -1.26 -2.98 118.33 111.63 2a1h n VAL 264 Ca 0.00 -0.18 -0.34 0.00 -2.04 0.00 0.00 64.34 61.78 2a1h n VAL 264 Cb 0.00 1.07 -0.11 0.00 -1.47 0.00 0.00 33.84 33.33 2a1h n VAL 264 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2a1h s ILE 265 N -2.61 4.25 -0.19 1.34 -1.09 -1.26 -4.71 121.20 116.93 2a1h s ILE 265 Ca 0.17 -0.24 -0.27 0.00 -2.23 0.00 0.00 60.65 58.08 2a1h s ILE 265 Cb 0.18 -2.84 -0.01 0.00 -1.58 0.00 0.00 42.46 38.21 2a1h s ILE 265 CO 0.64 0.53 0.90 -0.22 -1.23 0.00 0.00 174.94 175.56 2a1h s LEU 266 N -0.13 4.15 -1.04 2.97 1.98 -1.24 -4.22 118.68 121.14 2a1h s LEU 266 Ca 0.04 1.24 -0.24 0.00 -2.89 0.00 0.00 54.13 52.29 2a1h s LEU 266 Cb -0.13 -3.34 -0.07 0.00 0.66 0.00 0.00 46.19 43.32 2a1h s LEU 266 CO 0.02 -0.49 1.95 -2.16 -1.89 0.00 0.00 176.35 173.78 2a1h s PRO 267 N 2.50 2.48 0.48 0.98 0.04 -1.26 -4.93 135.00 135.29 2a1h s PRO 267 Ca 0.40 -0.69 -0.23 0.00 0.04 0.00 0.00 61.00 60.52 2a1h s PRO 267 Cb -0.16 -5.14 -0.07 0.00 0.04 0.00 0.00 34.50 29.17 2a1h s PRO 267 CO 0.11 -3.72 1.28 0.20 0.04 0.00 0.00 177.00 174.91 2a1h s GLY 268 N 7.38 2.86 0.12 0.56 0.00 -1.26 -4.95 107.32 112.02 2a1h s GLY 268 Ca 0.70 1.18 -0.11 0.00 0.00 0.00 0.00 44.72 46.49 2a1h s GLY 268 CO 0.06 1.70 1.36 -2.08 0.00 0.00 0.00 173.10 174.14 2a1h h VAL 269 N 1.88 1.29 -0.31 1.40 2.07 -1.96 -2.01 116.25 118.61 2a1h h VAL 269 Ca -0.50 -1.91 -0.15 0.00 0.82 0.00 0.00 66.70 64.96 2a1h h VAL 269 Cb 1.27 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 2a1h h VAL 269 CO 0.60 0.61 -0.41 0.58 0.02 0.00 0.00 177.57 178.96 2a1h h VAL 270 N 0.55 1.29 -0.16 2.57 2.07 -1.92 -1.92 116.25 118.71 2a1h h VAL 270 Ca -0.03 -1.59 0.04 0.00 0.82 0.00 0.00 66.70 65.93 2a1h h VAL 270 Cb 1.31 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 32.53 2a1h h VAL 270 CO 0.14 0.52 -0.06 -0.09 0.02 0.00 0.00 177.57 178.10 2a1h h ARG 271 N 0.62 -0.04 -0.46 1.57 2.43 -1.86 0.14 114.38 116.78 2a1h h ARG 271 Ca 0.05 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 2a1h h ARG 271 Cb 0.97 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.51 2a1h h ARG 271 CO 0.09 -0.02 0.07 0.37 -1.51 0.00 0.00 179.97 178.97 2a1h h GLN 272 N -0.04 0.72 -0.31 0.20 5.75 -1.28 -2.31 115.11 117.86 2a1h h GLN 272 Ca 0.09 -0.16 -0.13 0.00 -0.15 0.00 0.00 58.65 58.30 2a1h h GLN 272 Cb 0.17 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 2a1h h GLN 272 CO -0.19 0.69 -0.36 0.77 -2.65 0.00 0.00 178.83 177.09 2a1h h SER 273 N 0.69 0.73 0.17 -0.69 0.02 -0.52 -0.89 113.55 113.06 2a1h h SER 273 Ca 0.15 -0.31 -0.16 0.00 -0.84 0.00 0.00 61.79 60.63 2a1h h SER 273 Cb 0.33 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2a1h h SER 273 CO 0.01 1.01 -0.59 -0.07 -1.14 0.00 0.00 176.83 176.05 2a1h h LEU 274 N 0.58 0.48 -0.24 5.07 3.38 -0.73 -0.53 115.31 123.32 2a1h h LEU 274 Ca 0.06 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 2a1h h LEU 274 Cb 0.88 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2a1h h LEU 274 CO 0.08 0.96 -0.11 -0.07 0.09 0.00 0.00 178.44 179.39 2a1h h LEU 275 N 0.32 0.50 -0.40 1.67 3.38 -1.30 -1.58 115.31 117.91 2a1h h LEU 275 Ca -0.00 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 2a1h h LEU 275 Cb 1.12 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 2a1h h LEU 275 CO 0.10 0.80 0.15 0.44 0.09 0.00 0.00 178.44 180.02 2a1h h ASP 276 N 0.21 0.56 -0.14 -0.43 3.45 -1.08 -1.54 116.42 117.45 2a1h h ASP 276 Ca 0.05 -0.18 -0.01 0.00 0.43 0.00 0.00 57.03 57.32 2a1h h ASP 276 Cb 0.60 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.22 2a1h h ASP 276 CO 0.03 0.59 0.04 -0.03 -1.57 0.00 0.00 179.24 178.30 2a1h h MET 277 N 0.50 0.22 0.00 3.56 4.05 -1.09 -1.83 114.93 120.34 2a1h h MET 277 Ca 0.13 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.42 2a1h h MET 277 Cb 0.21 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 2a1h h MET 277 CO -0.01 0.35 -0.40 0.00 0.23 0.00 0.00 176.91 177.08 2a1h h ALA 278 N 0.86 1.32 -0.31 0.39 0.00 -1.27 -2.67 119.26 117.59 2a1h h ALA 278 Ca 0.05 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 2a1h h ALA 278 Cb 0.22 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2a1h h ALA 278 CO -0.00 0.50 -0.42 0.37 0.00 0.00 0.00 179.25 179.70 2a1h h GLN 279 N 0.00 0.83 -0.45 0.00 4.15 -1.14 -3.10 115.11 115.40 2a1h h GLN 279 Ca -0.00 -0.48 -0.05 0.00 0.77 0.00 0.00 58.65 58.88 2a1h h GLN 279 Cb 0.72 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 2a1h h GLN 279 CO 0.05 1.12 0.07 1.15 -1.93 0.00 0.00 178.83 179.29 2a1h h THR 280 N 0.61 1.21 -0.69 2.39 2.02 -1.09 -2.75 112.91 114.61 2a1h h THR 280 Ca 0.03 -0.80 -0.05 0.00 0.77 0.00 0.00 66.41 66.37 2a1h h THR 280 Cb 1.02 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 2a1h h THR 280 CO 0.10 0.29 0.25 -0.50 0.37 0.00 0.00 175.52 176.03 2a1h h TRP 281 N 0.67 1.08 -3.40 3.16 6.55 -1.44 -3.47 115.95 119.10 2a1h h TRP 281 Ca 0.15 -0.09 -0.36 0.00 0.95 0.00 0.00 58.89 59.53 2a1h h TRP 281 Cb 0.31 -0.32 0.02 0.00 -0.86 0.00 0.00 29.16 28.32 2a1h h TRP 281 CO 0.01 0.84 -0.51 0.41 -1.05 0.00 0.00 178.44 178.15 2a1h n GLY 282 N -0.81 -0.38 0.07 1.49 0.00 -1.04 -4.92 105.19 99.61 2a1h n GLY 282 Ca 0.05 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.07 2a1h n GLY 282 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2a1h n GLU 283 N -3.26 0.64 -4.00 1.61 1.02 -1.26 -5.01 120.64 110.37 2a1h n GLU 283 Ca -0.15 0.03 -0.09 0.00 -0.02 0.00 0.00 57.16 56.92 2a1h n GLU 283 Cb 0.63 -1.67 -0.05 0.00 -0.02 0.00 0.00 31.44 30.33 2a1h n GLU 283 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2a1h s PHE 284 N -3.12 0.40 0.19 -0.32 -0.71 -1.26 -5.08 117.98 108.08 2a1h s PHE 284 Ca -0.05 -0.76 -0.30 0.00 -1.04 0.00 0.00 56.93 54.78 2a1h s PHE 284 Cb 0.10 0.18 -0.08 0.00 -1.21 0.00 0.00 43.02 42.01 2a1h s PHE 284 CO 0.84 -1.00 1.14 0.50 -1.34 0.00 0.00 175.22 175.36 2a1h s ARG 285 N -3.95 4.56 -0.21 1.99 3.52 -0.89 -4.93 118.95 119.04 2a1h s ARG 285 Ca 0.23 1.79 0.00 0.00 -0.13 0.00 0.00 55.73 57.62 2a1h s ARG 285 Cb -0.01 -3.25 0.05 0.00 -1.56 0.00 0.00 34.95 30.18 2a1h s ARG 285 CO 0.10 0.02 -0.06 0.08 -0.81 0.00 0.00 175.30 174.62 2a1h s VAL 286 N -0.25 1.42 0.15 7.11 1.01 -1.26 -0.99 120.40 127.59 2a1h s VAL 286 Ca 0.50 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.52 2a1h s VAL 286 Cb -0.31 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2a1h s VAL 286 CO 0.36 0.02 -0.07 0.68 0.00 0.00 0.00 175.10 176.09 2a1h s VAL 287 N 1.47 0.96 -0.32 2.92 -7.23 -0.53 -5.00 120.40 112.67 2a1h s VAL 287 Ca -0.03 -2.01 -0.03 0.00 -1.81 0.00 0.00 61.98 58.10 2a1h s VAL 287 Cb -0.17 -1.90 0.05 0.00 0.56 0.00 0.00 36.38 34.92 2a1h s VAL 287 CO -0.07 -0.69 0.05 -1.61 -0.31 0.00 0.00 175.10 172.47 2a1h s GLU 288 N -3.81 2.42 -0.01 4.82 2.02 -1.26 -2.37 118.70 120.50 2a1h s GLU 288 Ca 0.18 -1.32 -0.22 0.00 0.02 0.00 0.00 54.97 53.63 2a1h s GLU 288 Cb 0.04 -3.29 0.04 0.00 0.10 0.00 0.00 34.13 31.02 2a1h s GLU 288 CO 0.01 -0.69 0.48 0.50 0.02 0.00 0.00 175.26 175.58 2a1h s ARG 289 N 1.27 0.88 0.32 1.61 3.52 -0.16 -4.67 118.95 121.73 2a1h s ARG 289 Ca -0.03 -0.05 -0.29 0.00 -0.13 0.00 0.00 55.73 55.23 2a1h s ARG 289 Cb -0.20 0.40 -0.11 0.00 -1.56 0.00 0.00 34.95 33.49 2a1h s ARG 289 CO -0.01 -0.27 1.49 0.99 -0.81 0.00 0.00 175.30 176.69 2a1h s THR 290 N -1.54 2.27 -0.14 4.11 2.01 -1.26 -3.61 115.64 117.49 2a1h s THR 290 Ca -0.11 0.25 0.02 0.00 0.31 0.00 0.00 61.69 62.16 2a1h s THR 290 Cb -0.02 -3.16 0.01 0.00 0.01 0.00 0.00 72.50 69.33 2a1h s THR 290 CO 0.05 0.05 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.19 2a1h s ILE 291 N -0.52 2.21 0.21 1.82 1.01 -1.26 -5.01 121.20 119.67 2a1h s ILE 291 Ca 0.57 -0.93 0.07 0.00 0.00 0.00 0.00 60.65 60.36 2a1h s ILE 291 Cb -0.45 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 2a1h s ILE 291 CO 0.53 0.54 0.09 0.42 0.00 0.00 0.00 174.94 176.51 2a1h s THR 292 N 0.74 4.06 0.44 2.92 -4.23 -1.26 -0.39 115.64 117.92 2a1h s THR 292 Ca -0.08 -1.42 0.15 0.00 -1.18 0.00 0.00 61.69 59.16 2a1h s THR 292 Cb -0.16 -3.12 0.18 0.00 1.34 0.00 0.00 72.50 70.75 2a1h s THR 292 CO 0.00 -0.22 1.98 0.24 -0.54 0.00 0.00 174.62 176.08 2a1h h MET 293 N 2.16 0.00 -0.55 3.99 2.86 -1.51 -1.68 114.93 120.20 2a1h h MET 293 Ca -0.47 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.12 2a1h h MET 293 Cb 1.22 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.86 2a1h h MET 293 CO 0.60 0.20 0.14 -0.22 1.06 0.00 0.00 176.91 178.69 2a1h h LYS 294 N 0.00 0.88 -0.38 1.72 3.64 -1.85 0.11 116.57 120.69 2a1h h LYS 294 Ca -0.00 -0.21 -0.08 0.00 -1.27 0.00 0.00 60.65 59.09 2a1h h LYS 294 Cb 0.35 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2a1h h LYS 294 CO 0.03 0.82 -0.08 1.96 -2.27 0.00 0.00 179.45 179.91 2a1h h GLN 295 N 0.78 0.72 -0.43 1.90 4.20 -1.84 -2.47 115.11 117.98 2a1h h GLN 295 Ca 0.17 -0.27 -0.10 0.00 0.06 0.00 0.00 58.65 58.51 2a1h h GLN 295 Cb 0.33 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2a1h h GLN 295 CO 0.00 0.86 -0.13 1.25 -0.67 0.00 0.00 178.83 180.14 2a1h h LEU 296 N 0.52 0.85 -0.28 1.46 5.85 -1.10 -1.61 115.31 121.00 2a1h h LEU 296 Ca 0.10 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.46 2a1h h LEU 296 Cb 0.59 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2a1h h LEU 296 CO 0.03 1.03 0.13 -0.07 -0.34 0.00 0.00 178.44 179.23 2a1h h LEU 297 N 0.67 0.20 -0.56 2.25 3.38 -0.76 -0.49 115.31 120.00 2a1h h LEU 297 Ca 0.11 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 2a1h h LEU 297 Cb 0.67 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2a1h h LEU 297 CO 0.05 0.15 0.16 -0.09 0.09 0.00 0.00 178.44 178.80 2a1h h ARG 298 N 0.29 0.87 -0.33 1.13 2.43 -1.42 -2.02 114.38 115.33 2a1h h ARG 298 Ca 0.12 -0.20 -0.08 0.00 -0.81 0.00 0.00 59.98 59.01 2a1h h ARG 298 Cb 0.04 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2a1h h ARG 298 CO -0.09 0.80 -0.15 0.00 -1.51 0.00 0.00 179.97 179.03 2a1h h ALA 299 N 1.03 1.13 -0.24 2.80 0.00 -0.94 -1.84 119.26 121.20 2a1h h ALA 299 Ca 0.18 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 2a1h h ALA 299 Cb 0.30 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2a1h h ALA 299 CO -0.00 0.54 -0.26 -0.07 0.00 0.00 0.00 179.25 179.47 2a1h h LEU 300 N 0.53 0.64 -1.36 0.00 3.38 -0.89 0.16 115.31 117.78 2a1h h LEU 300 Ca 0.09 -0.48 -0.07 0.00 0.09 0.00 0.00 57.88 57.51 2a1h h LEU 300 Cb 0.56 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2a1h h LEU 300 CO 0.04 0.99 -0.31 -0.33 0.09 0.00 0.00 178.44 178.91 2a1h h GLU 301 N 0.30 0.00 -0.14 1.13 5.08 -1.25 -2.12 114.58 117.58 2a1h h GLU 301 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2a1h h GLU 301 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2a1h h GLU 301 CO 0.06 0.31 0.00 0.39 -1.00 0.00 0.00 179.01 178.78 2a1h n GLU 302 N -3.97 1.85 -2.42 2.33 1.02 -0.70 -4.95 120.64 113.80 2a1h n GLU 302 Ca -0.02 -1.27 -0.19 0.00 -0.02 0.00 0.00 57.16 55.66 2a1h n GLU 302 Cb 0.38 -1.44 -0.00 0.00 -0.02 0.00 0.00 31.44 30.35 2a1h n GLU 302 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2a1h n GLY 303 N 1.21 -0.42 0.03 0.62 0.00 -0.80 -4.92 105.19 100.91 2a1h n GLY 303 Ca 0.17 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.23 2a1h n GLY 303 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a1h n ARG 304 N -2.92 0.19 -2.96 1.61 1.74 0.52 -4.90 116.66 109.94 2a1h n ARG 304 Ca -0.21 0.02 -0.40 0.00 -0.77 0.00 0.00 57.85 56.48 2a1h n ARG 304 Cb 0.67 -1.58 -0.04 0.00 -1.02 0.00 0.00 32.46 30.48 2a1h n ARG 304 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2a1h s VAL 305 N -3.12 4.96 -0.20 1.55 1.01 -1.23 -1.36 120.40 122.01 2a1h s VAL 305 Ca 0.07 1.61 -0.17 0.00 0.00 0.00 0.00 61.98 63.49 2a1h s VAL 305 Cb 0.15 -4.11 -0.07 0.00 0.00 0.00 0.00 36.38 32.34 2a1h s VAL 305 CO 0.76 0.25 -0.34 0.54 0.00 0.00 0.00 175.10 176.31 2a1h n ARG 306 N 3.67 0.53 -3.85 2.72 1.74 -0.19 -4.74 116.66 116.54 2a1h n ARG 306 Ca 0.00 0.22 -0.12 0.00 -0.77 0.00 0.00 57.85 57.18 2a1h n ARG 306 Cb 0.51 -1.42 -0.11 0.00 -1.02 0.00 0.00 32.46 30.41 2a1h n ARG 306 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2a1h s GLU 307 N -2.79 0.32 -0.04 5.56 2.02 -0.78 -3.31 118.70 119.68 2a1h s GLU 307 Ca -0.31 -0.09 0.03 0.00 0.02 0.00 0.00 54.97 54.62 2a1h s GLU 307 Cb 0.07 0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.44 2a1h s GLU 307 CO 0.44 -0.06 -0.11 0.08 0.02 0.00 0.00 175.26 175.62 2a1h s VAL 308 N -0.62 0.98 0.12 2.63 1.01 -1.26 -0.07 120.40 123.19 2a1h s VAL 308 Ca -0.07 -0.46 -0.14 0.00 0.00 0.00 0.00 61.98 61.31 2a1h s VAL 308 Cb -0.04 -0.87 0.03 0.00 0.00 0.00 0.00 36.38 35.49 2a1h s VAL 308 CO 0.01 0.30 0.35 0.72 0.00 0.00 0.00 175.10 176.48 2a1h s PHE 309 N 0.25 -0.12 0.10 5.22 -0.71 -0.50 -1.40 117.98 120.83 2a1h s PHE 309 Ca -0.05 -0.23 0.04 0.00 -1.04 0.00 0.00 56.93 55.65 2a1h s PHE 309 Cb -0.11 0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.85 2a1h s PHE 309 CO 0.01 -0.66 0.09 0.20 -1.34 0.00 0.00 175.22 173.52 2a1h s GLY 310 N -2.82 1.93 -0.00 1.99 0.00 0.03 -0.59 107.32 107.85 2a1h s GLY 310 Ca 0.03 -1.07 0.03 0.00 0.00 0.00 0.00 44.72 43.71 2a1h s GLY 310 CO -0.12 -1.06 -0.11 -1.35 0.00 0.00 0.00 173.10 170.46 2a1h s SER 311 N -2.60 1.25 -0.06 1.64 1.04 0.80 -0.34 113.70 115.44 2a1h s SER 311 Ca 0.30 -0.22 -0.32 0.00 0.48 0.00 0.00 55.95 56.19 2a1h s SER 311 Cb -0.12 -0.13 0.13 0.00 0.10 0.00 0.00 66.02 66.01 2a1h s SER 311 CO 0.22 0.11 1.33 -0.83 0.98 0.00 0.00 173.24 175.06 2a1h s GLY 312 N -0.35 -0.43 0.20 7.32 0.00 -0.92 -0.66 107.32 112.49 2a1h s GLY 312 Ca 0.03 0.87 -0.10 0.00 0.00 0.00 0.00 44.72 45.53 2a1h s GLY 312 CO -0.00 0.18 1.79 -0.84 0.00 0.00 0.00 173.10 174.23 2a1h h THR 313 N 2.00 1.24 -0.37 0.90 2.02 -1.91 -2.86 112.91 113.93 2a1h h THR 313 Ca -0.29 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 2a1h h THR 313 Cb 1.19 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 2a1h h THR 313 CO 0.28 0.28 0.18 0.00 0.37 0.00 0.00 175.52 176.63 2a1h h ALA 314 N 1.17 0.48 -3.32 6.16 0.00 -1.96 -3.37 119.26 118.42 2a1h h ALA 314 Ca 0.25 -0.11 -0.58 0.00 0.00 0.00 0.00 54.91 54.48 2a1h h ALA 314 Cb 0.12 -0.15 -0.40 0.00 0.00 0.00 0.00 17.79 17.37 2a1h h ALA 314 CO -0.03 0.04 -0.76 0.00 0.00 0.00 0.00 179.25 178.50 2a1h h GLN 316 N 8.06 -0.13 -2.54 0.00 1.08 -1.68 -2.44 115.11 117.46 2a1h h GLN 316 Ca -0.14 0.01 -0.32 0.00 -1.45 0.00 0.00 58.65 56.75 2a1h h GLN 316 Cb 1.05 0.03 -0.36 0.00 -0.05 0.00 0.00 27.48 28.15 2a1h h GLN 316 CO 0.43 -0.08 -0.63 0.14 -0.95 0.00 0.00 178.83 177.74 2a1h s VAL 317 N -6.08 -0.32 -0.38 -0.54 -7.23 -1.26 -3.59 120.40 101.00 2a1h s VAL 317 Ca -0.14 -0.10 -0.09 0.00 -1.81 0.00 0.00 61.98 59.83 2a1h s VAL 317 Cb 0.16 -0.67 0.05 0.00 0.56 0.00 0.00 36.38 36.48 2a1h s VAL 317 CO 0.70 -0.20 0.19 0.00 -0.31 0.00 0.00 175.10 175.49 2a1h s PRO 319 N 1.47 3.80 -0.14 0.00 0.04 -1.26 -0.79 135.00 138.12 2a1h s PRO 319 Ca 0.01 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.07 2a1h s PRO 319 Cb -0.20 -2.57 -0.00 0.00 0.04 0.00 0.00 34.50 31.76 2a1h s PRO 319 CO 0.04 -0.58 -0.17 0.08 0.04 0.00 0.00 177.00 176.40 2a1h s VAL 320 N -1.37 2.56 -0.34 -0.36 1.01 -0.49 -1.34 120.40 120.07 2a1h s VAL 320 Ca 0.61 -0.82 0.09 0.00 0.00 0.00 0.00 61.98 61.86 2a1h s VAL 320 Cb -0.34 -2.06 -0.11 0.00 0.00 0.00 0.00 36.38 33.86 2a1h s VAL 320 CO 0.43 0.53 0.35 0.00 0.00 0.00 0.00 175.10 176.41 2a1h n HIS 321 N 3.84 0.00 -3.66 5.22 1.44 -0.88 -4.42 115.22 116.76 2a1h n HIS 321 Ca -0.19 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.38 2a1h n HIS 321 Cb 0.52 -0.05 -0.08 0.00 0.12 0.00 0.00 29.99 30.50 2a1h n HIS 321 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 2a1h s ARG 322 N -2.08 0.74 -0.06 -1.40 3.52 -1.24 -0.85 118.95 117.58 2a1h s ARG 322 Ca 0.02 0.55 0.01 0.00 -0.13 0.00 0.00 55.73 56.18 2a1h s ARG 322 Cb 0.07 0.35 0.02 0.00 -1.56 0.00 0.00 34.95 33.83 2a1h s ARG 322 CO 0.39 -0.14 -0.08 0.42 -0.81 0.00 0.00 175.30 175.07 2a1h s ILE 323 N -0.21 0.85 -0.51 4.11 1.01 -0.63 -0.56 121.20 125.26 2a1h s ILE 323 Ca -0.04 -0.30 -0.13 0.00 0.00 0.00 0.00 60.65 60.18 2a1h s ILE 323 Cb -0.03 -0.82 0.12 0.00 0.01 0.00 0.00 42.46 41.73 2a1h s ILE 323 CO 0.03 0.30 0.43 -0.22 0.00 0.00 0.00 174.94 175.48 2a1h s LEU 324 N 0.87 5.94 -0.14 2.97 2.96 0.11 -1.05 118.68 130.35 2a1h s LEU 324 Ca -0.11 -1.78 0.02 0.00 -0.22 0.00 0.00 54.13 52.03 2a1h s LEU 324 Cb -0.15 -2.13 0.00 0.00 0.50 0.00 0.00 46.19 44.41 2a1h s LEU 324 CO 0.01 -0.78 -0.20 -0.47 -1.32 0.00 0.00 176.35 173.60 2a1h s TYR 325 N 1.52 2.69 -1.57 5.38 6.14 -0.50 -0.77 117.35 130.25 2a1h s TYR 325 Ca 0.04 -1.16 -0.13 0.00 0.64 0.00 0.00 57.07 56.46 2a1h s TYR 325 Cb -0.28 -1.82 0.10 0.00 0.42 0.00 0.00 41.96 40.37 2a1h s TYR 325 CO 0.02 -0.52 0.82 1.63 0.64 0.00 0.00 175.55 178.14 2a1h n LYS 326 N 3.94 -4.32 -1.55 4.97 5.02 -1.25 -1.29 118.16 123.67 2a1h n LYS 326 Ca -0.19 0.49 -0.17 0.00 -2.02 0.00 0.00 58.31 56.42 2a1h n LYS 326 Cb 0.52 -5.20 -0.07 0.00 -0.02 0.00 0.00 35.03 30.26 2a1h n LYS 326 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2a1h n ASP 327 N -2.80 -5.04 -4.38 4.39 9.92 -1.26 -5.00 116.55 112.37 2a1h n ASP 327 Ca -0.01 0.39 -0.32 0.00 -0.53 0.00 0.00 54.79 54.31 2a1h n ASP 327 Cb 0.54 -4.04 -0.14 0.00 -0.64 0.00 0.00 41.12 36.84 2a1h n ASP 327 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2a1h s ARG 328 N -3.54 2.85 0.06 -1.24 0.52 -0.41 -5.11 118.95 112.08 2a1h s ARG 328 Ca 0.00 -0.75 -0.27 0.00 -0.52 0.00 0.00 55.73 54.19 2a1h s ARG 328 Cb 0.00 -2.42 -0.05 0.00 0.52 0.00 0.00 34.95 33.00 2a1h s ARG 328 CO 0.00 0.40 0.86 -0.80 0.02 0.00 0.00 175.30 175.79 2a1h s ASN 329 N -0.17 7.33 -0.26 0.23 0.01 -1.26 -1.40 114.94 119.41 2a1h s ASN 329 Ca -0.01 1.60 0.01 0.00 -0.71 0.00 0.00 52.86 53.75 2a1h s ASN 329 Cb -0.13 -2.52 0.07 0.00 0.41 0.00 0.00 41.25 39.07 2a1h s ASN 329 CO 0.03 -0.06 -0.01 -0.76 -1.51 0.00 0.00 177.10 174.80 2a1h s LEU 330 N 0.13 2.92 0.02 0.60 1.43 -0.21 -4.98 118.68 118.58 2a1h s LEU 330 Ca 0.43 -1.42 -0.30 0.00 -1.03 0.00 0.00 54.13 51.81 2a1h s LEU 330 Cb -0.22 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 2a1h s LEU 330 CO 0.26 -0.29 1.10 -2.28 0.23 0.00 0.00 176.35 175.37 2a1h s HIS 331 N 1.34 3.52 -0.32 0.29 5.65 -1.26 -1.61 115.29 122.89 2a1h s HIS 331 Ca -0.01 1.48 -0.10 0.00 0.25 0.00 0.00 55.06 56.69 2a1h s HIS 331 Cb -0.19 -3.28 -0.00 0.00 -1.18 0.00 0.00 32.58 27.93 2a1h s HIS 331 CO -0.09 -0.68 0.16 0.42 -0.65 0.00 0.00 174.74 173.89 2a1h s ILE 332 N 1.18 4.56 -0.20 0.89 -1.09 -0.03 -4.96 121.20 121.54 2a1h s ILE 332 Ca 0.55 -0.50 0.00 0.00 -2.23 0.00 0.00 60.65 58.47 2a1h s ILE 332 Cb -0.25 -3.36 0.00 0.00 -1.58 0.00 0.00 42.46 37.27 2a1h s ILE 332 CO 0.28 0.02 0.41 -0.81 -1.23 0.00 0.00 174.94 173.60 2a1h n PRO 333 N 4.98 0.45 -0.06 2.79 -0.04 -1.26 -4.44 135.00 137.42 2a1h n PRO 333 Ca -0.14 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.24 2a1h n PRO 333 Cb 0.49 -1.26 -0.02 0.00 -0.04 0.00 0.00 33.50 32.66 2a1h n PRO 333 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2a1h h THR 334 N 0.44 0.34 0.00 0.52 2.02 -1.76 -2.17 112.91 112.30 2a1h h THR 334 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2a1h h THR 334 Cb 0.41 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 2a1h h THR 334 CO 0.00 0.00 -0.03 0.24 0.37 0.00 0.00 175.52 176.10 2a1h h MET 335 N -0.26 0.00 -0.00 6.66 2.86 -1.87 -2.59 114.93 119.73 2a1h h MET 335 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2a1h h MET 335 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2a1h h MET 335 CO -0.42 0.03 -0.25 0.39 1.06 0.00 0.00 176.91 177.71 2a1h n GLU 336 N -3.12 0.36 -0.85 1.72 4.71 -0.87 -3.53 120.64 119.06 2a1h n GLU 336 Ca 0.01 -0.16 -0.06 0.00 -0.01 0.00 0.00 57.16 56.94 2a1h n GLU 336 Cb 0.37 -1.50 0.22 0.00 -1.01 0.00 0.00 31.44 29.53 2a1h n GLU 336 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2a1h n ASN 337 N -1.18 3.27 0.00 1.62 3.02 -0.88 -5.00 115.26 116.11 2a1h n ASN 337 Ca 0.10 -3.54 0.00 0.00 -0.03 0.00 0.00 54.58 51.11 2a1h n ASN 337 Cb 0.32 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 2a1h n ASN 337 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a1h n GLY 338 N -0.90 2.28 3.55 7.41 0.00 -1.23 -1.78 105.19 114.53 2a1h n GLY 338 Ca 0.37 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 2a1h n GLY 338 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2a1h s PRO 339 N 0.00 3.22 0.17 1.61 0.04 -1.25 -4.92 135.00 133.87 2a1h s PRO 339 Ca 0.00 -0.31 -0.24 0.00 0.04 0.00 0.00 61.00 60.48 2a1h s PRO 339 Cb 0.00 -4.28 0.05 0.00 0.04 0.00 0.00 34.50 30.31 2a1h s PRO 339 CO 0.00 -2.15 1.58 1.49 0.04 0.00 0.00 177.00 177.96 2a1h h GLU 340 N 10.01 -0.25 -0.39 4.56 4.81 -1.64 -0.44 114.58 131.23 2a1h h GLU 340 Ca -0.24 0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 58.91 2a1h h GLU 340 Cb 1.05 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 2a1h h GLU 340 CO 1.29 -0.17 -0.15 1.25 -0.73 0.00 0.00 179.01 180.50 2a1h h LEU 341 N -0.26 0.82 -0.62 1.64 5.85 -1.98 -1.93 115.31 118.83 2a1h h LEU 341 Ca 0.17 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 2a1h h LEU 341 Cb 0.56 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 2a1h h LEU 341 CO -0.60 1.02 0.38 0.40 -0.34 0.00 0.00 178.44 179.30 2a1h h ILE 342 N 0.61 1.18 -0.25 4.05 2.04 -1.93 0.08 117.51 123.29 2a1h h ILE 342 Ca 0.09 -0.39 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 2a1h h ILE 342 Cb 0.70 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2a1h h ILE 342 CO 0.05 0.18 -0.19 -0.07 0.00 0.00 0.00 178.15 178.12 2a1h h LEU 343 N 0.83 0.45 -0.26 1.44 3.38 -1.01 -0.27 115.31 119.87 2a1h h LEU 343 Ca 0.22 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 2a1h h LEU 343 Cb -0.03 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2a1h h LEU 343 CO -0.04 0.66 -0.41 -0.09 0.09 0.00 0.00 178.44 178.65 2a1h h ARG 344 N 0.41 0.75 -0.51 1.13 2.43 -0.82 -1.83 114.38 115.94 2a1h h ARG 344 Ca 0.07 -0.45 -0.05 0.00 -0.81 0.00 0.00 59.98 58.74 2a1h h ARG 344 Cb 0.58 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 2a1h h ARG 344 CO 0.04 1.07 0.13 0.74 -1.51 0.00 0.00 179.97 180.44 2a1h h PHE 345 N 0.49 0.85 -0.36 2.20 0.05 -0.75 -1.90 116.94 117.51 2a1h h PHE 345 Ca 0.02 -0.10 0.00 0.00 3.82 0.00 0.00 57.97 61.71 2a1h h PHE 345 Cb 1.01 -0.24 -0.02 0.00 2.00 0.00 0.00 35.95 38.70 2a1h h PHE 345 CO 0.08 0.75 0.23 1.96 -0.18 0.00 0.00 178.31 181.15 2a1h h GLN 346 N 0.71 0.49 -0.01 1.51 4.20 -0.99 -0.80 115.11 120.22 2a1h h GLN 346 Ca 0.16 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 2a1h h GLN 346 Cb 0.33 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 2a1h h GLN 346 CO 0.00 0.35 0.00 -0.22 -0.67 0.00 0.00 178.83 178.29 2a1h h LYS 347 N 0.48 0.02 -0.05 1.46 3.64 -1.24 -1.84 116.57 119.04 2a1h h LYS 347 Ca 0.13 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 2a1h h LYS 347 Cb -0.02 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2a1h h LYS 347 CO -0.03 0.22 -0.40 0.93 -2.27 0.00 0.00 179.45 177.91 2a1h h GLU 348 N -0.19 0.11 -0.18 1.90 5.08 -1.27 -1.89 114.58 118.14 2a1h h GLU 348 Ca 0.00 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.17 2a1h h GLU 348 Cb 0.21 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2a1h h GLU 348 CO -0.00 0.49 -0.45 -0.07 -1.00 0.00 0.00 179.01 177.98 2a1h h LEU 349 N 0.09 0.71 -1.26 1.33 3.38 -1.10 -2.92 115.31 115.54 2a1h h LEU 349 Ca 0.01 -0.57 -0.06 0.00 0.09 0.00 0.00 57.88 57.35 2a1h h LEU 349 Cb 0.75 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2a1h h LEU 349 CO 0.06 1.16 -0.14 0.11 0.09 0.00 0.00 178.44 179.72 2a1h h LYS 350 N 0.30 0.34 -0.42 1.13 1.57 -1.15 0.11 116.57 118.45 2a1h h LYS 350 Ca -0.01 -0.09 -0.12 0.00 -1.87 0.00 0.00 60.65 58.57 2a1h h LYS 350 Cb 1.07 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 2a1h h LYS 350 CO 0.10 0.48 -0.21 0.93 -0.57 0.00 0.00 179.45 180.17 2a1h h GLU 351 N 0.31 0.84 0.01 3.15 5.08 -1.33 -1.23 114.58 121.42 2a1h h GLU 351 Ca 0.06 -0.34 -0.12 0.00 -1.00 0.00 0.00 59.36 57.96 2a1h h GLU 351 Cb 0.44 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.66 2a1h h GLU 351 CO 0.03 0.98 -0.48 0.82 -1.00 0.00 0.00 179.01 179.35 2a1h h ILE 352 N 0.73 1.49 -0.55 3.13 2.04 -1.28 -1.35 117.51 121.73 2a1h h ILE 352 Ca 0.10 -2.09 -0.09 0.00 1.00 0.00 0.00 64.86 63.78 2a1h h ILE 352 Cb 0.74 2.75 -0.02 0.00 -0.74 0.00 0.00 36.82 39.56 2a1h h ILE 352 CO 0.06 0.59 0.00 1.56 0.00 0.00 0.00 178.15 180.36 2a1h h GLN 353 N -0.31 0.97 -0.52 2.37 4.20 -0.75 -3.15 115.11 117.92 2a1h h GLN 353 Ca -0.06 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.34 2a1h h GLN 353 Cb 1.23 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.92 2a1h h GLN 353 CO 0.09 0.98 0.00 0.66 -0.67 0.00 0.00 178.83 179.89 2a1h n TYR 354 N -4.26 0.75 -1.90 2.96 4.02 -0.47 -4.71 117.16 113.56 2a1h n TYR 354 Ca 0.02 -0.35 -0.10 0.00 -0.01 0.00 0.00 57.90 57.45 2a1h n TYR 354 Cb 0.33 -0.05 -0.02 0.00 -0.02 0.00 0.00 39.34 39.59 2a1h n TYR 354 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2a1h n GLY 355 N 1.18 0.35 0.08 2.72 0.00 -1.19 -4.23 105.19 104.11 2a1h n GLY 355 Ca 0.17 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 2a1h n GLY 355 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2a1h h ILE 356 N 0.00 1.62 -3.33 -0.61 1.08 -1.56 -3.43 117.51 111.29 2a1h h ILE 356 Ca -0.24 -3.12 -0.52 0.00 -0.39 0.00 0.00 64.86 60.59 2a1h h ILE 356 Cb 1.02 2.74 -0.35 0.00 -3.07 0.00 0.00 36.82 37.16 2a1h h ILE 356 CO 0.30 0.90 -0.81 -0.60 -0.69 0.00 0.00 178.15 177.25 2a1h s ARG 357 N -2.86 1.68 0.18 2.37 3.52 -0.73 -5.05 118.95 118.06 2a1h s ARG 357 Ca -0.01 -0.37 -0.30 0.00 -0.13 0.00 0.00 55.73 54.92 2a1h s ARG 357 Cb 0.10 -1.50 -0.08 0.00 -1.56 0.00 0.00 34.95 31.91 2a1h s ARG 357 CO 0.83 -0.08 1.19 0.00 -0.81 0.00 0.00 175.30 176.43 2a1h s ALA 358 N 1.03 3.43 0.03 6.12 0.00 -1.26 -4.40 121.76 126.71 2a1h s ALA 358 Ca -0.07 0.93 -0.11 0.00 0.00 0.00 0.00 51.96 52.71 2a1h s ALA 358 Cb -0.15 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.57 2a1h s ALA 358 CO -0.01 -0.36 0.24 -1.58 0.00 0.00 0.00 175.76 174.05 2a1h s HIS 359 N -0.01 -0.03 0.34 0.00 2.46 -1.26 -5.04 115.29 111.74 2a1h s HIS 359 Ca 0.53 -0.09 0.34 0.00 0.47 0.00 0.00 55.06 56.31 2a1h s HIS 359 Cb -0.32 0.02 1.63 0.00 -0.13 0.00 0.00 32.58 33.78 2a1h s HIS 359 CO 0.36 -0.42 2.10 0.93 -2.47 0.00 0.00 174.74 175.24 2a1h h GLU 360 N 3.58 0.00 0.00 2.88 5.08 -2.00 -2.90 114.58 121.22 2a1h h GLU 360 Ca -0.31 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.02 2a1h h GLU 360 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 2a1h h GLU 360 CO 0.45 0.05 -0.12 -1.49 -1.00 0.00 0.00 179.01 176.90 2a1h h TRP 361 N 0.00 0.00 -3.19 4.33 6.55 -1.96 -3.44 115.95 118.23 2a1h h TRP 361 Ca -0.00 0.00 -0.59 0.00 0.95 0.00 0.00 58.89 59.25 2a1h h TRP 361 Cb 0.35 0.00 -0.07 0.00 -0.86 0.00 0.00 29.16 28.57 2a1h h TRP 361 CO 0.00 0.12 -0.21 -1.64 -1.05 0.00 0.00 178.44 175.66 2a1h s MET 362 N -3.73 4.15 -0.33 0.49 -1.94 -1.10 -0.76 119.30 116.08 2a1h s MET 362 Ca 0.00 0.34 -0.07 0.00 -1.71 0.00 0.00 55.69 54.26 2a1h s MET 362 Cb 0.10 -3.35 0.03 0.00 2.01 0.00 0.00 34.83 33.62 2a1h s MET 362 CO 0.59 0.39 0.10 0.12 -0.01 0.00 0.00 175.02 176.21 2a1h s PHE 363 N -0.08 3.22 0.29 -0.03 5.36 -0.31 -4.95 117.98 121.48 2a1h s PHE 363 Ca 0.23 -1.30 -0.29 0.00 -0.96 0.00 0.00 56.93 54.61 2a1h s PHE 363 Cb -0.15 -2.27 -0.10 0.00 -0.34 0.00 0.00 43.02 40.16 2a1h s PHE 363 CO 0.10 -0.69 1.22 -2.14 -1.46 0.00 0.00 175.22 172.25 2a1h s PRO 364 N 1.43 4.48 0.00 10.12 0.02 -1.26 -0.62 135.00 149.17 2a1h s PRO 364 Ca -0.00 2.02 0.25 0.00 0.02 0.00 0.00 61.00 63.28 2a1h s PRO 364 Cb -0.19 -3.14 0.36 0.00 0.02 0.00 0.00 34.50 31.55 2a1h s PRO 364 CO 0.03 -0.03 1.36 0.28 -0.33 0.00 0.00 177.00 178.30