#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 0.11 0.50 -3.46 0.15 -1.26 -4.67 113.70 105.08 2a1h s SER 4 Ca 0.00 -0.51 -0.19 0.00 0.70 0.00 0.00 55.95 55.95 2a1h s SER 4 Cb 0.00 0.28 -0.08 0.00 -1.71 0.00 0.00 66.02 64.51 2a1h s SER 4 CO 0.00 -0.59 1.04 0.72 1.20 0.00 0.00 173.24 175.61 2a1h s PHE 5 N -2.96 3.02 -0.07 3.44 -0.71 -1.26 -4.93 117.98 114.52 2a1h s PHE 5 Ca -0.02 1.57 0.02 0.00 -1.04 0.00 0.00 56.93 57.46 2a1h s PHE 5 Cb 0.01 -3.04 -0.02 0.00 -1.21 0.00 0.00 43.02 38.75 2a1h s PHE 5 CO -0.06 -0.83 -0.12 0.15 -1.34 0.00 0.00 175.22 173.02 2a1h s LYS 6 N -3.38 2.74 0.55 1.99 1.02 -1.26 -4.81 119.74 116.58 2a1h s LYS 6 Ca 0.66 -0.66 0.35 0.00 0.02 0.00 0.00 55.97 56.35 2a1h s LYS 6 Cb -0.16 -2.48 1.61 0.00 -0.52 0.00 0.00 37.83 36.28 2a1h s LYS 6 CO 0.22 0.55 2.05 0.00 -0.92 0.00 0.00 175.35 177.26 2a1h h ALA 7 N 5.59 1.00 0.00 5.17 0.00 -1.96 -1.99 119.26 127.07 2a1h h ALA 7 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2a1h h ALA 7 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2a1h h ALA 7 CO 0.52 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.77 2a1h h ALA 8 N 2.02 1.00 -0.25 0.00 0.00 -1.95 -2.86 119.26 117.23 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 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2a1h h ALA 8 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 2a1h n ASP 9 N -2.82 2.65 -4.68 0.00 8.00 -0.75 -4.98 116.55 113.97 2a1h n ASP 9 Ca 0.03 -1.87 -0.43 0.00 0.71 0.00 0.00 54.79 53.23 2a1h n ASP 9 Cb 0.38 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 2a1h n ASP 9 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2a1h n LEU 10 N 0.98 4.04 -4.64 0.64 7.94 -1.08 -4.38 117.00 120.50 2a1h n LEU 10 Ca 0.18 0.95 -0.36 0.00 -1.11 0.00 0.00 56.01 55.67 2a1h n LEU 10 Cb 0.49 -1.52 -0.10 0.00 0.53 0.00 0.00 43.42 42.82 2a1h n LEU 10 CO 0.15 0.16 -0.20 -1.10 -1.11 0.00 0.00 177.39 175.29 2a1h s GLN 11 N 3.52 4.03 -0.23 1.96 -1.52 -0.54 -5.00 119.66 121.87 2a1h s GLN 11 Ca 0.86 -0.30 -0.06 0.00 -1.95 0.00 0.00 55.36 53.91 2a1h s GLN 11 Cb -0.48 -3.45 -0.02 0.00 -0.22 0.00 0.00 33.01 28.83 2a1h s GLN 11 CO 0.40 0.10 0.03 -1.17 -0.25 0.00 0.00 175.29 174.40 2a1h s LEU 12 N 0.93 3.28 -0.29 2.90 2.96 -1.26 -0.72 118.68 126.48 2a1h s LEU 12 Ca 0.07 -0.23 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 2a1h s LEU 12 Cb -0.13 -1.86 0.08 0.00 0.50 0.00 0.00 46.19 44.78 2a1h s LEU 12 CO 0.03 0.00 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.35 2a1h s GLU 13 N 1.37 1.63 0.53 1.98 2.12 0.34 -4.99 118.70 121.68 2a1h s GLU 13 Ca 0.05 -1.42 -0.18 0.00 0.36 0.00 0.00 54.97 53.79 2a1h s GLU 13 Cb -0.15 -2.82 -0.06 0.00 0.26 0.00 0.00 34.13 31.36 2a1h s GLU 13 CO 0.02 -0.76 1.03 -1.64 -0.54 0.00 0.00 175.26 173.37 2a1h s MET 14 N 1.16 3.65 0.29 4.30 -1.94 -1.26 -3.49 119.30 122.02 2a1h s MET 14 Ca 0.01 1.20 -0.29 0.00 -1.71 0.00 0.00 55.69 54.90 2a1h s MET 14 Cb -0.19 -2.08 -0.10 0.00 2.01 0.00 0.00 34.83 34.47 2a1h s MET 14 CO -0.09 -0.54 1.15 -0.08 -0.01 0.00 0.00 175.02 175.46 2a1h s THR 15 N -2.33 3.29 -0.30 2.05 -1.32 -1.26 -4.81 115.64 110.97 2a1h s THR 15 Ca 0.64 1.30 0.23 0.00 -1.21 0.00 0.00 61.69 62.64 2a1h s THR 15 Cb -0.14 -3.83 -0.11 0.00 -1.51 0.00 0.00 72.50 66.91 2a1h s THR 15 CO 0.29 0.31 0.91 0.00 -2.21 0.00 0.00 174.62 173.91 2a1h n GLN 16 N 1.14 0.52 -3.74 7.08 1.13 -1.26 -4.67 117.38 117.58 2a1h n GLN 16 Ca -0.01 0.01 -0.29 0.00 -1.94 0.00 0.00 57.00 54.77 2a1h n GLN 16 Cb 0.44 -1.68 -0.13 0.00 0.11 0.00 0.00 30.24 28.98 2a1h n GLN 16 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2a1h s LYS 17 N -3.35 1.57 0.06 -1.09 -0.14 -1.26 -5.12 119.74 110.41 2a1h s LYS 17 Ca -0.01 -2.37 -0.30 0.00 -1.36 0.00 0.00 55.97 51.93 2a1h s LYS 17 Cb 0.12 -2.57 -0.05 0.00 -1.68 0.00 0.00 37.83 33.66 2a1h s LYS 17 CO 0.82 -1.21 1.01 -2.14 -0.76 0.00 0.00 175.35 173.07 2a1h s PRO 18 N -0.14 4.60 0.48 -1.68 0.02 -1.26 -5.05 135.00 131.97 2a1h s PRO 18 Ca 0.21 1.50 -0.20 0.00 0.02 0.00 0.00 61.00 62.53 2a1h s PRO 18 Cb -0.17 -3.40 -0.09 0.00 0.02 0.00 0.00 34.50 30.86 2a1h s PRO 18 CO -0.06 0.03 1.00 -1.01 -0.33 0.00 0.00 177.00 176.63 2a1h s HIS 19 N 0.55 3.18 0.13 6.54 3.76 -1.26 -5.02 115.29 123.17 2a1h s HIS 19 Ca 0.51 1.57 -0.30 0.00 -0.15 0.00 0.00 55.06 56.68 2a1h s HIS 19 Cb -0.23 -2.94 -0.07 0.00 1.11 0.00 0.00 32.58 30.45 2a1h s HIS 19 CO 0.29 -0.53 1.19 -1.59 -0.85 0.00 0.00 174.74 173.26 2a1h s LYS 20 N -3.42 4.47 0.33 1.40 -2.85 -1.26 -5.01 119.74 113.40 2a1h s LYS 20 Ca 0.64 1.82 -0.26 0.00 -1.00 0.00 0.00 55.97 57.16 2a1h s LYS 20 Cb -0.13 -3.29 -0.10 0.00 -2.06 0.00 0.00 37.83 32.25 2a1h s LYS 20 CO 0.21 -0.16 0.98 0.15 0.10 0.00 0.00 175.35 176.62 2a1h s LYS 21 N 0.38 4.52 0.16 1.78 1.02 -1.26 -5.00 119.74 121.35 2a1h s LYS 21 Ca 0.55 1.40 -0.15 0.00 0.02 0.00 0.00 55.97 57.79 2a1h s LYS 21 Cb -0.31 -2.80 0.10 0.00 -0.52 0.00 0.00 37.83 34.30 2a1h s LYS 21 CO 0.33 0.21 1.73 -1.00 -0.92 0.00 0.00 175.35 175.70 2a1h h PRO 22 N 3.13 0.22 0.00 -1.68 0.13 -1.97 -3.48 132.00 128.35 2a1h h PRO 22 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2a1h h PRO 22 Cb 1.20 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2a1h h PRO 22 CO 0.65 0.15 0.00 0.41 -0.23 0.00 0.00 178.00 178.97 2a1h n GLY 23 N -1.24 0.51 3.66 1.56 0.00 -1.26 -4.61 105.19 103.81 2a1h n GLY 23 Ca 0.02 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 2a1h n GLY 23 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2a1h s PRO 24 N 0.00 4.15 -1.48 1.61 0.02 -1.26 -3.88 135.00 134.15 2a1h s PRO 24 Ca 0.00 2.52 -0.07 0.00 0.02 0.00 0.00 61.00 63.47 2a1h s PRO 24 Cb 0.00 -4.07 0.02 0.00 0.02 0.00 0.00 34.50 30.47 2a1h s PRO 24 CO 0.00 -0.92 0.68 0.41 -0.33 0.00 0.00 177.00 176.84 2a1h n GLY 25 N 4.42 -0.52 3.54 0.52 0.00 -1.26 -5.02 105.19 106.87 2a1h n GLY 25 Ca 0.19 0.14 -0.34 0.00 0.00 0.00 0.00 46.02 46.02 2a1h n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a1h s GLU 26 N -5.89 3.33 -0.14 1.61 2.02 -1.25 -5.08 118.70 113.30 2a1h s GLU 26 Ca 0.38 -0.52 -0.29 0.00 0.02 0.00 0.00 54.97 54.56 2a1h s GLU 26 Cb -0.18 -2.80 -0.05 0.00 0.10 0.00 0.00 34.13 31.20 2a1h s GLU 26 CO 0.47 0.41 1.93 -1.25 0.02 0.00 0.00 175.26 176.84 2a1h s PRO 27 N -0.11 3.66 -0.33 0.39 0.04 -1.26 -4.96 135.00 132.44 2a1h s PRO 27 Ca 0.02 2.07 -0.13 0.00 0.04 0.00 0.00 61.00 63.01 2a1h s PRO 27 Cb -0.13 -4.19 -0.02 0.00 0.04 0.00 0.00 34.50 30.19 2a1h s PRO 27 CO 0.03 -1.48 0.23 -0.51 0.04 0.00 0.00 177.00 175.31 2a1h s LEU 28 N 6.07 4.43 -0.04 -3.56 1.43 -1.26 -5.08 118.68 120.67 2a1h s LEU 28 Ca 0.87 -0.35 -0.15 0.00 -1.03 0.00 0.00 54.13 53.47 2a1h s LEU 28 Cb -0.33 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 2a1h s LEU 28 CO 0.35 -0.20 0.39 -0.69 0.23 0.00 0.00 176.35 176.43 2a1h s VAL 29 N 1.73 5.11 0.03 -1.59 1.01 -1.26 -4.37 120.40 121.07 2a1h s VAL 29 Ca 0.06 0.78 -0.32 0.00 0.00 0.00 0.00 61.98 62.50 2a1h s VAL 29 Cb -0.17 -3.70 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 2a1h s VAL 29 CO 0.11 0.52 1.86 0.33 0.00 0.00 0.00 175.10 177.92 2a1h n PHE 30 N 2.30 2.46 -2.14 5.22 7.35 -1.26 -3.13 117.46 128.25 2a1h n PHE 30 Ca -0.13 -0.11 -0.17 0.00 -0.76 0.00 0.00 57.45 56.28 2a1h n PHE 30 Cb 0.52 -2.71 -0.02 0.00 0.35 0.00 0.00 39.48 37.62 2a1h n PHE 30 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2a1h n GLY 31 N 4.28 0.11 0.00 7.13 0.00 -1.26 -4.90 105.19 110.55 2a1h n GLY 31 Ca 0.20 -0.18 0.02 0.00 0.00 0.00 0.00 46.02 46.05 2a1h n GLY 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a1h n LYS 32 N -2.60 4.28 -4.51 1.61 5.02 -1.19 -4.98 118.16 115.80 2a1h n LYS 32 Ca -0.19 -0.01 -0.33 0.00 -2.02 0.00 0.00 58.31 55.75 2a1h n LYS 32 Cb 0.63 -0.78 -0.15 0.00 -0.02 0.00 0.00 35.03 34.71 2a1h n LYS 32 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2a1h s THR 33 N -1.58 2.88 0.17 -0.18 2.01 -1.26 -5.08 115.64 112.59 2a1h s THR 33 Ca 0.01 -0.70 0.09 0.00 0.31 0.00 0.00 61.69 61.40 2a1h s THR 33 Cb 0.03 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 2a1h s THR 33 CO 0.15 0.51 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.10 2a1h s PHE 34 N 0.77 2.58 0.99 4.92 0.40 -1.26 -3.83 117.98 122.55 2a1h s PHE 34 Ca -0.05 -0.24 -0.16 0.00 -0.60 0.00 0.00 56.93 55.87 2a1h s PHE 34 Cb -0.15 -1.29 0.21 0.00 0.51 0.00 0.00 43.02 42.30 2a1h s PHE 34 CO 0.01 0.49 1.30 0.95 0.70 0.00 0.00 175.22 178.66 2a1h s THR 35 N -1.58 1.95 0.28 0.64 -4.23 -0.82 -4.98 115.64 106.89 2a1h s THR 35 Ca 0.23 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 60.88 2a1h s THR 35 Cb -0.09 -2.94 0.05 0.00 1.34 0.00 0.00 72.50 70.87 2a1h s THR 35 CO 0.14 0.00 1.72 0.44 -0.54 0.00 0.00 174.62 176.37 2a1h h ASP 36 N -1.76 0.00 -3.02 3.99 3.32 -1.95 -3.43 116.42 113.57 2a1h h ASP 36 Ca -0.44 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.12 2a1h h ASP 36 Cb 1.24 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.65 2a1h h ASP 36 CO 0.38 0.48 -0.64 -1.00 -1.72 0.00 0.00 179.24 176.74 2a1h s HIS 37 N -3.80 1.98 0.04 4.55 3.76 -1.26 -0.28 115.29 120.29 2a1h s HIS 37 Ca -0.01 -0.82 -0.08 0.00 -0.15 0.00 0.00 55.06 53.99 2a1h s HIS 37 Cb 0.13 -1.24 -0.00 0.00 1.11 0.00 0.00 32.58 32.58 2a1h s HIS 37 CO 0.73 0.16 0.17 0.00 -0.85 0.00 0.00 174.74 174.94 2a1h s MET 38 N -3.81 0.68 -0.01 1.40 0.23 -0.59 -4.60 119.30 112.61 2a1h s MET 38 Ca 0.33 -0.69 -0.09 0.00 -1.03 0.00 0.00 55.69 54.21 2a1h s MET 38 Cb 0.07 0.28 -0.05 0.00 -1.53 0.00 0.00 34.83 33.60 2a1h s MET 38 CO 0.14 -0.19 0.28 -1.17 -2.03 0.00 0.00 175.02 172.05 2a1h s LEU 39 N -2.17 4.39 -0.08 0.18 2.96 -0.60 -1.80 118.68 121.57 2a1h s LEU 39 Ca -0.04 0.65 -0.03 0.00 -0.22 0.00 0.00 54.13 54.48 2a1h s LEU 39 Cb -0.00 -2.57 0.04 0.00 0.50 0.00 0.00 46.19 44.16 2a1h s LEU 39 CO -0.05 0.29 0.16 -0.04 -1.32 0.00 0.00 176.35 175.39 2a1h s MET 40 N -1.49 0.08 -0.04 1.98 -1.94 0.30 -1.70 119.30 116.48 2a1h s MET 40 Ca 0.25 0.45 0.00 0.00 -1.71 0.00 0.00 55.69 54.68 2a1h s MET 40 Cb -0.14 -0.20 0.03 0.00 2.01 0.00 0.00 34.83 36.52 2a1h s MET 40 CO 0.13 -0.21 -0.01 0.08 -0.01 0.00 0.00 175.02 174.99 2a1h s VAL 41 N 1.57 0.34 0.04 -6.03 1.01 0.56 -1.22 120.40 116.66 2a1h s VAL 41 Ca -0.05 0.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.95 2a1h s VAL 41 Cb -0.12 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 2a1h s VAL 41 CO -0.06 0.20 0.17 -1.61 0.00 0.00 0.00 175.10 173.80 2a1h s GLU 42 N 1.18 3.33 -0.00 2.72 2.02 -1.26 -0.67 118.70 126.01 2a1h s GLU 42 Ca -0.07 -0.45 0.03 0.00 0.02 0.00 0.00 54.97 54.50 2a1h s GLU 42 Cb -0.14 -2.99 -0.01 0.00 0.10 0.00 0.00 34.13 31.09 2a1h s GLU 42 CO -0.02 0.62 -0.10 -0.46 0.02 0.00 0.00 175.26 175.33 2a1h s TRP 43 N -1.41 0.85 0.00 1.61 -0.00 -0.43 -0.67 118.94 118.89 2a1h s TRP 43 Ca 0.31 -0.18 0.00 0.00 -0.00 0.00 0.00 56.10 56.23 2a1h s TRP 43 Cb -0.13 -0.54 0.00 0.00 -0.00 0.00 0.00 33.47 32.80 2a1h s TRP 43 CO 0.23 -0.01 0.00 0.27 -0.00 0.00 0.00 176.95 177.44 2a1h n ASN 44 N 2.76 0.00 -0.05 5.86 0.23 -0.84 -1.35 115.26 121.87 2a1h n ASN 44 Ca -0.14 0.00 -0.04 0.00 -0.53 0.00 0.00 54.58 53.87 2a1h n ASN 44 Cb 0.57 0.00 0.18 0.00 -2.08 0.00 0.00 39.78 38.45 2a1h n ASN 44 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2a1h h ASP 45 N 0.00 0.64 -0.26 0.53 3.32 -1.99 -2.95 116.42 115.71 2a1h h ASP 45 Ca 0.00 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 2a1h h ASP 45 Cb 0.00 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 2a1h h ASP 45 CO 0.00 0.78 0.03 0.29 -1.72 0.00 0.00 179.24 178.62 2a1h n LYS 46 N -4.19 2.51 0.00 3.56 5.02 -1.26 -5.03 118.16 118.78 2a1h n LYS 46 Ca 0.01 -1.30 0.00 0.00 -2.02 0.00 0.00 58.31 55.00 2a1h n LYS 46 Cb 0.34 -1.79 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 0.22 -1.41 3.81 0.72 0.00 -1.12 -4.95 105.19 102.45 2a1h n GLY 47 Ca 0.13 -1.62 -0.35 0.00 0.00 0.00 0.00 46.02 44.18 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 0.00 3.57 0.73 1.61 0.52 -1.26 -1.99 118.94 122.11 2a1h s TRP 48 Ca 0.00 1.57 -0.04 0.00 0.02 0.00 0.00 56.10 57.65 2a1h s TRP 48 Cb 0.00 -2.78 0.15 0.00 -1.15 0.00 0.00 33.47 29.69 2a1h s TRP 48 CO 0.00 0.17 0.99 0.41 0.02 0.00 0.00 176.95 178.54 2a1h n GLY 49 N 0.26 0.12 3.75 0.98 0.00 0.16 -4.87 105.19 105.59 2a1h n GLY 49 Ca 0.02 -1.95 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 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 -5.08 4.65 0.48 1.61 -0.21 -1.26 -4.74 119.66 115.11 2a1h s GLN 50 Ca 0.63 1.75 -0.22 0.00 0.02 0.00 0.00 55.36 57.54 2a1h s GLN 50 Cb -0.03 -3.22 -0.07 0.00 1.00 0.00 0.00 33.01 30.69 2a1h s GLN 50 CO 0.42 0.20 1.15 -2.14 -2.12 0.00 0.00 175.29 172.80 2a1h s PRO 51 N -1.10 3.66 -0.01 2.91 0.02 -1.26 -4.70 135.00 134.52 2a1h s PRO 51 Ca 0.46 1.71 -0.00 0.00 0.02 0.00 0.00 61.00 63.18 2a1h s PRO 51 Cb -0.31 -2.29 0.01 0.00 0.02 0.00 0.00 34.50 31.93 2a1h s PRO 51 CO 0.38 -0.62 0.02 -0.98 -0.33 0.00 0.00 177.00 175.47 2a1h s ARG 52 N -2.87 0.01 -0.35 5.54 1.70 -0.36 -1.47 118.95 121.15 2a1h s ARG 52 Ca 0.66 0.05 -0.11 0.00 -0.47 0.00 0.00 55.73 55.86 2a1h s ARG 52 Cb -0.27 -0.03 0.01 0.00 -0.57 0.00 0.00 34.95 34.09 2a1h s ARG 52 CO 0.32 -0.03 0.19 0.42 -1.08 0.00 0.00 175.30 175.12 2a1h s ILE 53 N 0.17 4.65 0.34 4.99 1.01 0.10 -0.54 121.20 131.92 2a1h s ILE 53 Ca -0.01 -0.63 0.07 0.00 0.00 0.00 0.00 60.65 60.08 2a1h s ILE 53 Cb -0.02 -3.48 -0.07 0.00 0.01 0.00 0.00 42.46 38.90 2a1h s ILE 53 CO -0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 174.94 174.81 2a1h s GLN 54 N 1.59 1.75 0.76 2.79 -2.07 -0.75 -0.50 119.66 123.23 2a1h s GLN 54 Ca 0.03 -1.94 -0.14 0.00 -1.82 0.00 0.00 55.36 51.50 2a1h s GLN 54 Cb -0.18 -1.38 0.05 0.00 -1.09 0.00 0.00 33.01 30.42 2a1h s GLN 54 CO 0.07 -0.00 1.17 -2.14 -1.32 0.00 0.00 175.29 173.07 2a1h s PRO 55 N -3.72 2.05 0.00 9.60 0.02 -1.23 -1.54 135.00 140.18 2a1h s PRO 55 Ca 0.33 1.61 -0.30 0.00 0.02 0.00 0.00 61.00 62.66 2a1h s PRO 55 Cb 0.06 -1.84 -0.07 0.00 0.02 0.00 0.00 34.50 32.67 2a1h s PRO 55 CO 0.15 -1.87 1.81 0.12 -0.33 0.00 0.00 177.00 176.88 2a1h s PHE 56 N -2.24 1.68 0.23 6.54 5.36 0.62 -4.55 117.98 125.62 2a1h s PHE 56 Ca 0.71 -0.12 -0.13 0.00 -0.96 0.00 0.00 56.93 56.43 2a1h s PHE 56 Cb -0.26 -4.09 -0.00 0.00 -0.34 0.00 0.00 43.02 38.34 2a1h s PHE 56 CO 0.48 -4.72 0.46 1.14 -1.46 0.00 0.00 175.22 171.12 2a1h s GLN 57 N 4.09 1.48 0.63 10.12 -2.07 -1.26 -5.00 119.66 127.65 2a1h s GLN 57 Ca 0.81 -1.19 -0.14 0.00 -1.82 0.00 0.00 55.36 53.01 2a1h s GLN 57 Cb -0.39 0.47 -0.02 0.00 -1.09 0.00 0.00 33.01 31.98 2a1h s GLN 57 CO 0.36 -0.61 1.06 -0.80 -1.32 0.00 0.00 175.29 173.98 2a1h s ASN 58 N -2.99 5.57 0.08 12.60 0.01 -1.26 -5.04 114.94 123.91 2a1h s ASN 58 Ca 0.20 1.78 -0.15 0.00 -0.71 0.00 0.00 52.86 53.99 2a1h s ASN 58 Cb -0.00 -2.52 -0.06 0.00 0.41 0.00 0.00 41.25 39.07 2a1h s ASN 58 CO 0.07 -1.31 0.49 -0.76 -1.51 0.00 0.00 177.10 174.08 2a1h s LEU 59 N -4.85 4.42 -0.38 0.60 1.43 -1.26 -5.06 118.68 113.58 2a1h s LEU 59 Ca 0.62 1.04 -0.07 0.00 -1.03 0.00 0.00 54.13 54.70 2a1h s LEU 59 Cb -0.16 -2.96 0.06 0.00 0.03 0.00 0.00 46.19 43.16 2a1h s LEU 59 CO 0.42 0.21 0.18 -0.89 0.23 0.00 0.00 176.35 176.50 2a1h s THR 60 N -1.28 3.88 0.00 5.49 2.01 -1.26 -5.08 115.64 119.40 2a1h s THR 60 Ca 0.31 -1.36 0.08 0.00 0.31 0.00 0.00 61.69 61.04 2a1h s THR 60 Cb -0.16 -3.33 -0.02 0.00 0.01 0.00 0.00 72.50 69.00 2a1h s THR 60 CO 0.17 -0.37 -0.26 -0.76 -0.69 0.00 0.00 174.62 172.71 2a1h s LEU 61 N 1.38 2.09 0.32 4.42 1.43 -1.26 -5.12 118.68 121.93 2a1h s LEU 61 Ca 0.01 -0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 52.32 2a1h s LEU 61 Cb -0.21 -1.32 -0.10 0.00 0.03 0.00 0.00 46.19 44.59 2a1h s LEU 61 CO 0.02 0.30 1.32 -2.28 0.23 0.00 0.00 176.35 175.93 2a1h s HIS 62 N -0.67 3.05 0.63 0.29 5.65 -1.26 -4.90 115.29 118.07 2a1h s HIS 62 Ca 0.10 1.39 0.31 0.00 0.25 0.00 0.00 55.06 57.11 2a1h s HIS 62 Cb -0.10 -3.69 1.66 0.00 -1.18 0.00 0.00 32.58 29.27 2a1h s HIS 62 CO -0.00 -1.92 2.00 -1.35 -0.65 0.00 0.00 174.74 172.82 2a1h h PRO 63 N 3.52 0.00 -0.40 2.88 0.11 -1.99 -0.51 132.00 135.62 2a1h h PRO 63 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2a1h h PRO 63 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2a1h h PRO 63 CO 0.66 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.45 2a1h n ALA 64 N -2.14 2.44 -1.70 -0.75 0.00 -1.26 -4.95 120.51 112.14 2a1h n ALA 64 Ca 0.02 -0.87 -0.55 0.00 0.00 0.00 0.00 53.44 52.03 2a1h n ALA 64 Cb 0.42 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.84 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 1.08 2.72 0.11 0.00 2.88 -0.20 -3.61 113.62 116.60 2a1h n SER 65 Ca 0.18 1.04 0.06 0.00 -1.33 0.00 0.00 58.87 58.83 2a1h n SER 65 Cb 0.49 -1.21 0.35 0.00 -0.75 0.00 0.00 64.21 63.08 2a1h n SER 65 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2a1h n SER 66 N 5.82 0.33 0.17 -3.46 3.41 -0.83 -1.34 113.62 117.72 2a1h n SER 66 Ca 0.25 0.61 0.02 0.00 -0.26 0.00 0.00 58.87 59.49 2a1h n SER 66 Cb 0.18 -0.63 0.29 0.00 -0.26 0.00 0.00 64.21 63.79 2a1h n SER 66 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2a1h h SER 67 N 0.00 0.00 0.16 4.04 4.64 -1.71 -2.14 113.55 118.55 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 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2a1h h SER 67 CO 0.00 0.47 -1.66 0.18 -0.87 0.00 0.00 176.83 174.95 2a1h n LEU 68 N -3.85 0.29 -0.12 5.97 4.77 -0.45 -3.85 117.00 119.75 2a1h n LEU 68 Ca -0.01 -0.03 -0.21 0.00 -0.03 0.00 0.00 56.01 55.73 2a1h n LEU 68 Cb 0.51 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 2a1h n LEU 68 CO 0.40 0.01 -1.31 1.41 -1.33 0.00 0.00 177.39 176.56 2a1h n HIS 69 N -2.18 0.00 -1.09 -1.77 8.25 -1.20 -4.72 115.22 112.50 2a1h n HIS 69 Ca -0.02 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.53 2a1h n HIS 69 Cb 0.52 -0.90 0.19 0.00 1.12 0.00 0.00 29.99 30.92 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 -3.63 0.39 -4.02 4.41 4.01 -0.81 -5.01 117.16 112.50 2a1h n TYR 70 Ca -0.45 -1.01 -0.30 0.00 -0.16 0.00 0.00 57.90 55.97 2a1h n TYR 70 Cb 0.90 -0.23 -0.01 0.00 -0.31 0.00 0.00 39.34 39.69 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 -1.08 -2.56 -4.42 7.72 2.88 -1.20 -4.86 113.62 110.11 2a1h n SER 71 Ca 0.19 -0.93 -0.43 0.00 -1.33 0.00 0.00 58.87 56.36 2a1h n SER 71 Cb 0.75 -3.25 0.00 0.00 -0.75 0.00 0.00 64.21 60.96 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 -4.46 5.32 -3.71 2.46 4.77 -1.18 -4.75 117.00 115.47 2a1h n LEU 72 Ca -0.09 -4.20 -0.14 0.00 -0.03 0.00 0.00 56.01 51.55 2a1h n LEU 72 Cb 0.58 -1.67 -0.09 0.00 -2.33 0.00 0.00 43.42 39.91 2a1h n LEU 72 CO 0.78 0.54 0.13 0.00 -1.33 0.00 0.00 177.39 177.52 2a1h s GLN 73 N 2.81 0.66 0.13 3.23 -2.07 -1.26 -0.07 119.66 123.08 2a1h s GLN 73 Ca 0.48 0.26 -0.10 0.00 -1.82 0.00 0.00 55.36 54.18 2a1h s GLN 73 Cb 0.02 0.31 0.00 0.00 -1.09 0.00 0.00 33.01 32.25 2a1h s GLN 73 CO 0.03 -0.15 0.27 -0.48 -1.32 0.00 0.00 175.29 173.64 2a1h s LEU 74 N -0.56 1.05 0.21 2.60 0.05 -0.75 -2.69 118.68 118.59 2a1h s LEU 74 Ca -0.07 -0.67 -0.10 0.00 0.05 0.00 0.00 54.13 53.34 2a1h s LEU 74 Cb -0.03 1.26 -0.01 0.00 -2.05 0.00 0.00 46.19 45.36 2a1h s LEU 74 CO 0.03 -0.82 0.38 0.72 -0.55 0.00 0.00 176.35 176.11 2a1h s PHE 75 N -3.89 0.47 0.22 3.48 -0.71 -0.93 -2.14 117.98 114.48 2a1h s PHE 75 Ca 0.09 -0.81 0.02 0.00 -1.04 0.00 0.00 56.93 55.19 2a1h s PHE 75 Cb 0.04 0.02 -0.05 0.00 -1.21 0.00 0.00 43.02 41.82 2a1h s PHE 75 CO -0.07 -0.86 0.05 -1.21 -1.34 0.00 0.00 175.22 171.79 2a1h s GLU 76 N -4.02 1.29 -0.20 1.99 0.41 -0.49 -4.77 118.70 112.92 2a1h s GLU 76 Ca 0.23 -1.67 -0.07 0.00 -0.41 0.00 0.00 54.97 53.05 2a1h s GLU 76 Cb 0.02 -0.32 0.09 0.00 -1.78 0.00 0.00 34.13 32.14 2a1h s GLU 76 CO 0.06 -0.21 0.43 0.20 -0.49 0.00 0.00 175.26 175.26 2a1h s GLY 77 N -3.26 -0.38 0.17 -1.39 0.00 -1.26 -3.74 107.32 97.46 2a1h s GLY 77 Ca 0.31 1.55 -0.11 0.00 0.00 0.00 0.00 44.72 46.48 2a1h s GLY 77 CO 0.09 2.42 0.34 -3.16 0.00 0.00 0.00 173.10 172.79 2a1h s MET 78 N 2.58 1.22 0.09 2.90 0.23 -1.02 -4.92 119.30 120.38 2a1h s MET 78 Ca -0.02 -1.13 0.10 0.00 -1.03 0.00 0.00 55.69 53.61 2a1h s MET 78 Cb -0.12 0.41 -0.03 0.00 -1.53 0.00 0.00 34.83 33.55 2a1h s MET 78 CO -0.13 -0.46 -0.26 0.15 -2.03 0.00 0.00 175.02 172.29 2a1h s LYS 79 N -3.96 1.51 -0.13 3.16 1.02 -1.26 -0.16 119.74 119.93 2a1h s LYS 79 Ca 0.16 -1.21 -0.02 0.00 0.02 0.00 0.00 55.97 54.92 2a1h s LYS 79 Cb 0.02 -1.84 -0.03 0.00 -0.52 0.00 0.00 37.83 35.47 2a1h s LYS 79 CO 0.00 0.45 -0.04 0.00 -0.92 0.00 0.00 175.35 174.84 2a1h s ALA 80 N -0.96 3.03 -0.03 5.17 0.00 -0.10 -3.03 121.76 125.83 2a1h s ALA 80 Ca 0.12 -0.83 0.07 0.00 0.00 0.00 0.00 51.96 51.31 2a1h s ALA 80 Cb -0.10 -1.46 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 2a1h s ALA 80 CO 0.04 0.35 -0.24 -0.06 0.00 0.00 0.00 175.76 175.85 2a1h s PHE 81 N -0.08 2.40 -0.23 0.00 0.40 0.64 -1.22 117.98 119.89 2a1h s PHE 81 Ca 0.02 -0.43 -0.05 0.00 -0.60 0.00 0.00 56.93 55.87 2a1h s PHE 81 Cb -0.13 -1.53 -0.02 0.00 0.51 0.00 0.00 43.02 41.85 2a1h s PHE 81 CO 0.03 -0.03 0.00 0.21 0.70 0.00 0.00 175.22 176.13 2a1h s LYS 82 N -0.57 3.48 0.86 0.44 2.20 -1.26 -0.61 119.74 124.28 2a1h s LYS 82 Ca 0.09 -0.57 -0.12 0.00 -0.36 0.00 0.00 55.97 55.00 2a1h s LYS 82 Cb -0.11 -3.14 0.11 0.00 -1.51 0.00 0.00 37.83 33.18 2a1h s LYS 82 CO -0.00 -0.20 1.15 0.20 -0.36 0.00 0.00 175.35 176.13 2a1h s GLY 83 N 1.53 1.59 0.48 5.54 0.00 -0.36 -4.67 107.32 111.42 2a1h s GLY 83 Ca 0.06 -0.53 0.19 0.00 0.00 0.00 0.00 44.72 44.43 2a1h s GLY 83 CO -0.01 -0.02 1.99 1.70 0.00 0.00 0.00 173.10 176.77 2a1h h LYS 84 N -1.29 0.22 -0.50 2.90 3.64 -1.88 -1.28 116.57 118.38 2a1h h LYS 84 Ca -0.49 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2a1h h LYS 84 Cb 1.32 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2a1h h LYS 84 CO 0.63 0.14 0.00 -0.40 -2.27 0.00 0.00 179.45 177.55 2a1h n ASP 85 N -4.44 1.78 0.00 4.20 5.68 -1.26 -4.90 116.55 117.61 2a1h n ASP 85 Ca 0.09 -2.12 0.00 0.00 -0.50 0.00 0.00 54.79 52.26 2a1h n ASP 85 Cb 0.46 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 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 0.20 -0.55 -2.74 0.11 1.13 -0.48 -5.03 117.38 110.01 2a1h n GLN 86 Ca 0.08 0.14 -0.42 0.00 -1.94 0.00 0.00 57.00 54.86 2a1h n GLN 86 Cb 0.35 -3.55 -0.03 0.00 0.11 0.00 0.00 30.24 27.11 2a1h n GLN 86 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2a1h s GLN 87 N -0.56 4.46 -0.14 -1.09 -1.52 -1.26 -4.80 119.66 114.75 2a1h s GLN 87 Ca 0.00 1.32 -0.11 0.00 -1.95 0.00 0.00 55.36 54.63 2a1h s GLN 87 Cb 0.00 -3.51 -0.05 0.00 -0.22 0.00 0.00 33.01 29.23 2a1h s GLN 87 CO 0.00 -0.19 0.21 0.08 -0.25 0.00 0.00 175.29 175.13 2a1h s VAL 88 N 1.58 5.37 0.01 1.09 1.01 -1.26 -1.22 120.40 126.98 2a1h s VAL 88 Ca 0.48 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.83 2a1h s VAL 88 Cb -0.19 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 2a1h s VAL 88 CO 0.21 0.50 -0.04 -0.13 0.00 0.00 0.00 175.10 175.64 2a1h s ARG 89 N -0.24 0.33 -0.04 2.72 0.52 0.22 -1.16 118.95 121.31 2a1h s ARG 89 Ca 0.14 -0.36 -0.06 0.00 -0.52 0.00 0.00 55.73 54.93 2a1h s ARG 89 Cb -0.12 -0.20 -0.04 0.00 0.52 0.00 0.00 34.95 35.10 2a1h s ARG 89 CO 0.03 0.04 0.20 -0.51 0.02 0.00 0.00 175.30 175.09 2a1h s LEU 90 N -0.69 4.38 -0.34 2.53 1.43 0.53 -0.26 118.68 126.26 2a1h s LEU 90 Ca -0.05 0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 53.35 2a1h s LEU 90 Cb -0.05 -2.46 -0.01 0.00 0.03 0.00 0.00 46.19 43.71 2a1h s LEU 90 CO -0.00 0.31 0.48 0.12 0.23 0.00 0.00 176.35 177.49 2a1h s PHE 91 N -1.21 3.19 -1.21 0.29 5.36 -1.17 -1.01 117.98 122.21 2a1h s PHE 91 Ca 0.23 0.19 -0.03 0.00 -0.96 0.00 0.00 56.93 56.35 2a1h s PHE 91 Cb -0.13 -2.85 0.00 0.00 -0.34 0.00 0.00 43.02 39.70 2a1h s PHE 91 CO 0.13 -0.49 0.06 0.54 -1.46 0.00 0.00 175.22 174.00 2a1h n ARG 92 N 5.65 -0.88 0.30 10.12 1.74 -0.03 -4.81 116.66 128.75 2a1h n ARG 92 Ca -0.06 0.06 0.17 0.00 -0.77 0.00 0.00 57.85 57.25 2a1h n ARG 92 Cb 0.49 -2.74 0.97 0.00 -1.02 0.00 0.00 32.46 30.15 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 -1.27 0.00 -0.53 5.56 0.13 -1.82 -2.42 132.00 131.65 2a1h h PRO 93 Ca -0.54 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2a1h h PRO 93 Cb 1.12 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 2a1h h PRO 93 CO 0.55 0.02 0.33 -1.49 -0.23 0.00 0.00 178.00 177.19 2a1h h TRP 94 N 0.00 0.69 -0.14 1.56 6.55 -1.96 -0.91 115.95 121.74 2a1h h TRP 94 Ca -0.00 0.01 -0.14 0.00 0.95 0.00 0.00 58.89 59.71 2a1h h TRP 94 Cb 0.09 -0.23 -0.01 0.00 -0.86 0.00 0.00 29.16 28.15 2a1h h TRP 94 CO 0.00 0.45 -0.51 -0.07 -1.05 0.00 0.00 178.44 177.26 2a1h h LEU 95 N 0.73 0.43 -0.65 -4.49 3.38 -1.81 -1.06 115.31 111.83 2a1h h LEU 95 Ca 0.19 -0.22 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 2a1h h LEU 95 Cb -0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2a1h h LEU 95 CO -0.04 0.87 -0.59 0.78 0.09 0.00 0.00 178.44 179.54 2a1h h ASN 96 N 0.31 0.31 -0.26 -0.43 2.35 -1.38 -1.58 115.58 114.90 2a1h h ASN 96 Ca 0.01 -0.17 -0.16 0.00 -0.55 0.00 0.00 56.30 55.43 2a1h h ASN 96 Cb 1.01 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.28 2a1h h ASN 96 CO 0.09 0.83 -0.45 0.24 -1.65 0.00 0.00 177.43 176.49 2a1h h MET 97 N 0.20 0.82 -0.40 0.81 2.86 -0.96 -0.83 114.93 117.44 2a1h h MET 97 Ca -0.00 -0.46 -0.03 0.00 -2.06 0.00 0.00 59.70 57.14 2a1h h MET 97 Cb 1.10 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.77 2a1h h MET 97 CO 0.09 1.10 0.13 -0.44 1.06 0.00 0.00 176.91 178.86 2a1h h ASP 98 N 0.66 0.57 -0.34 1.22 3.32 -1.06 -2.00 116.42 118.78 2a1h h ASP 98 Ca 0.04 -0.19 -0.11 0.00 0.02 0.00 0.00 57.03 56.79 2a1h h ASP 98 Cb 1.03 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 2a1h h ASP 98 CO 0.10 0.61 -0.18 -0.09 -1.72 0.00 0.00 179.24 177.96 2a1h h ARG 99 N 0.49 0.82 -0.66 3.56 2.43 -1.20 -2.23 114.38 117.60 2a1h h ARG 99 Ca 0.13 -0.31 -0.06 0.00 -0.81 0.00 0.00 59.98 58.93 2a1h h ARG 99 Cb 0.24 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 2a1h h ARG 99 CO -0.01 0.94 0.19 1.98 -1.51 0.00 0.00 179.97 181.55 2a1h h MET 100 N 0.72 1.02 -0.39 0.20 4.05 -0.98 -0.93 114.93 118.61 2a1h h MET 100 Ca 0.11 -0.21 -0.14 0.00 -0.28 0.00 0.00 59.70 59.18 2a1h h MET 100 Cb 0.69 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.34 2a1h h MET 100 CO 0.05 0.88 -0.29 1.25 0.23 0.00 0.00 176.91 179.03 2a1h h LEU 101 N 0.98 0.89 -0.76 3.39 5.85 -1.13 -0.76 115.31 123.77 2a1h h LEU 101 Ca 0.21 -0.36 -0.10 0.00 0.84 0.00 0.00 57.88 58.47 2a1h h LEU 101 Cb 0.31 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2a1h h LEU 101 CO -0.00 1.11 -0.12 0.03 -0.34 0.00 0.00 178.44 179.12 2a1h h ARG 102 N 0.72 0.82 -0.61 1.25 3.08 -1.05 -1.70 114.38 116.90 2a1h h ARG 102 Ca 0.08 -0.28 -0.10 0.00 0.07 0.00 0.00 59.98 59.75 2a1h h ARG 102 Cb 0.85 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 2a1h h ARG 102 CO 0.07 0.90 0.01 0.77 -1.07 0.00 0.00 179.97 180.65 2a1h h SER 103 N 0.74 1.05 -0.74 7.04 0.02 -0.93 -2.50 113.55 118.23 2a1h h SER 103 Ca 0.12 -0.30 -0.04 0.00 -0.84 0.00 0.00 61.79 60.74 2a1h h SER 103 Cb 0.61 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 2a1h h SER 103 CO 0.04 1.09 0.31 0.00 -1.14 0.00 0.00 176.83 177.13 2a1h h ALA 104 N 1.01 0.97 -0.11 3.77 0.00 -0.77 -2.76 119.26 121.36 2a1h h ALA 104 Ca 0.18 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2a1h h ALA 104 Cb 0.55 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2a1h h ALA 104 CO 0.03 0.58 -0.42 0.52 0.00 0.00 0.00 179.25 179.96 2a1h h MET 105 N 1.07 0.25 -0.02 0.00 2.07 -1.16 0.71 114.93 117.84 2a1h h MET 105 Ca 0.25 -0.12 -0.12 0.00 -2.07 0.00 0.00 59.70 57.64 2a1h h MET 105 Cb 0.20 -0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 29.91 2a1h h MET 105 CO -0.02 0.63 -0.53 -0.09 1.07 0.00 0.00 176.91 177.97 2a1h h ARG 106 N 0.21 0.06 -0.64 1.72 9.65 -1.20 -3.10 114.38 121.08 2a1h h ARG 106 Ca 0.02 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2a1h h ARG 106 Cb 0.84 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.42 2a1h h ARG 106 CO 0.07 0.58 0.00 1.28 2.80 0.00 0.00 179.97 184.70 2a1h n LEU 107 N -3.91 4.09 -3.16 3.80 4.77 -1.07 -4.96 117.00 116.56 2a1h n LEU 107 Ca -0.02 -2.17 -0.23 0.00 -0.03 0.00 0.00 56.01 53.56 2a1h n LEU 107 Cb 0.55 -0.49 0.03 0.00 -2.33 0.00 0.00 43.42 41.18 2a1h n LEU 107 CO 0.42 0.89 0.01 0.00 -1.33 0.00 0.00 177.39 177.38 2a1h s LEU 109 N -6.70 4.20 0.37 0.00 1.43 0.20 -4.40 118.68 113.78 2a1h s LEU 109 Ca 0.36 0.50 -0.28 0.00 -1.03 0.00 0.00 54.13 53.68 2a1h s LEU 109 Cb -0.17 -3.27 -0.11 0.00 0.03 0.00 0.00 46.19 42.67 2a1h s LEU 109 CO 0.44 -0.05 1.44 -0.81 0.23 0.00 0.00 176.35 177.60 2a1h n PRO 110 N -0.54 2.55 -2.13 1.29 -0.04 -1.26 -4.38 135.00 130.50 2a1h n PRO 110 Ca -0.04 0.89 -0.32 0.00 -0.04 0.00 0.00 63.50 64.00 2a1h n PRO 110 Cb 0.53 -2.59 -0.01 0.00 -0.04 0.00 0.00 33.50 31.39 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 -0.17 6.39 0.18 3.54 1.04 -1.26 -4.95 113.70 118.47 2a1h s SER 111 Ca 0.54 1.51 -0.07 0.00 0.48 0.00 0.00 55.95 58.40 2a1h s SER 111 Cb -0.50 -2.49 -0.02 0.00 0.10 0.00 0.00 66.02 63.12 2a1h s SER 111 CO 0.64 -0.75 0.27 0.72 0.98 0.00 0.00 173.24 175.09 2a1h s PHE 112 N -2.89 0.57 -0.12 5.02 -0.12 -1.26 -4.80 117.98 114.38 2a1h s PHE 112 Ca 0.57 -0.91 -0.25 0.00 -0.05 0.00 0.00 56.93 56.29 2a1h s PHE 112 Cb -0.11 -0.14 -0.02 0.00 -0.63 0.00 0.00 43.02 42.12 2a1h s PHE 112 CO 0.42 -0.73 0.79 0.34 -0.05 0.00 0.00 175.22 176.00 2a1h s ASP 113 N -3.02 7.00 0.21 1.98 -1.08 -1.26 -4.96 116.67 115.54 2a1h s ASP 113 Ca 0.22 1.22 -0.10 0.00 -0.52 0.00 0.00 52.55 53.37 2a1h s ASP 113 Cb 0.04 -2.45 0.28 0.00 -1.46 0.00 0.00 42.92 39.33 2a1h s ASP 113 CO 0.04 -0.28 1.70 0.11 0.52 0.00 0.00 175.17 177.25 2a1h h LYS 114 N 7.09 0.22 0.00 4.34 1.57 -2.00 -2.44 116.57 125.35 2a1h h LYS 114 Ca -0.35 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.33 2a1h h LYS 114 Cb 1.16 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 2a1h h LYS 114 CO 0.80 0.15 -0.42 -0.07 -0.57 0.00 0.00 179.45 179.33 2a1h h LEU 115 N 0.23 0.00 -0.20 2.94 3.38 -1.99 -2.11 115.31 117.55 2a1h h LEU 115 Ca 0.31 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.06 2a1h h LEU 115 Cb 0.47 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.22 2a1h h LEU 115 CO -0.42 0.42 -0.84 -0.33 0.09 0.00 0.00 178.44 177.36 2a1h h GLU 116 N 0.00 0.60 -0.32 1.13 4.39 -1.79 -2.17 114.58 116.42 2a1h h GLU 116 Ca -0.00 -0.54 -0.17 0.00 0.34 0.00 0.00 59.36 58.99 2a1h h GLU 116 Cb 0.96 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.73 2a1h h GLU 116 CO 0.05 1.16 -0.46 1.25 -1.16 0.00 0.00 179.01 179.86 2a1h h LEU 117 N 0.39 0.91 -0.77 1.33 5.85 -1.41 -2.33 115.31 119.28 2a1h h LEU 117 Ca -0.06 -0.44 0.01 0.00 0.84 0.00 0.00 57.88 58.22 2a1h h LEU 117 Cb 1.46 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 2a1h h LEU 117 CO 0.16 1.22 0.51 0.25 -0.34 0.00 0.00 178.44 180.24 2a1h h LEU 118 N 0.66 0.88 -0.93 2.25 5.85 -1.34 -0.05 115.31 122.64 2a1h h LEU 118 Ca 0.04 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 2a1h h LEU 118 Cb 1.04 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 2a1h h LEU 118 CO 0.10 0.64 -0.45 -0.08 -0.34 0.00 0.00 178.44 178.31 2a1h h GLU 119 N 1.04 0.18 -0.32 1.25 4.57 -1.33 -0.13 114.58 119.84 2a1h h GLU 119 Ca 0.28 -0.09 -0.14 0.00 -1.18 0.00 0.00 59.36 58.23 2a1h h GLU 119 Cb -0.12 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 2a1h h GLU 119 CO -0.06 0.60 -0.37 0.00 -1.18 0.00 0.00 179.01 178.00 2a1h h ILE 121 N 0.62 1.30 -0.63 0.00 2.04 -0.76 -2.12 117.51 117.96 2a1h h ILE 121 Ca 0.06 -1.76 -0.03 0.00 1.00 0.00 0.00 64.86 64.13 2a1h h ILE 121 Cb 0.91 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.66 2a1h h ILE 121 CO 0.08 0.56 0.26 -0.09 0.00 0.00 0.00 178.15 178.96 2a1h h ARG 122 N 0.54 0.93 -0.18 2.37 2.43 -0.81 -1.03 114.38 118.63 2a1h h ARG 122 Ca 0.01 -0.16 -0.09 0.00 -0.81 0.00 0.00 59.98 58.93 2a1h h ARG 122 Cb 1.11 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 2a1h h ARG 122 CO 0.11 0.78 -0.29 0.00 -1.51 0.00 0.00 179.97 179.06 2a1h h ARG 123 N 0.88 0.35 -0.21 0.20 2.47 -1.18 -0.77 114.38 116.12 2a1h h ARG 123 Ca 0.21 -0.13 -0.08 0.00 -1.26 0.00 0.00 59.98 58.72 2a1h h ARG 123 Cb 0.18 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.48 2a1h h ARG 123 CO -0.02 0.61 -0.17 1.25 0.56 0.00 0.00 179.97 182.20 2a1h h LEU 124 N 0.30 0.50 -1.02 3.04 5.85 -0.93 -2.12 115.31 120.93 2a1h h LEU 124 Ca 0.04 -0.46 -0.09 0.00 0.84 0.00 0.00 57.88 58.22 2a1h h LEU 124 Cb 0.68 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2a1h h LEU 124 CO 0.05 0.85 -0.23 0.40 -0.34 0.00 0.00 178.44 179.18 2a1h h ILE 125 N 0.16 1.25 -0.69 4.05 2.04 -1.07 -2.21 117.51 121.05 2a1h h ILE 125 Ca 0.04 -1.19 -0.06 0.00 1.00 0.00 0.00 64.86 64.65 2a1h h ILE 125 Cb 0.70 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 2a1h h ILE 125 CO 0.04 0.38 0.21 -0.08 0.00 0.00 0.00 178.15 178.70 2a1h h GLU 126 N 0.39 1.07 -0.61 2.37 4.81 -1.01 0.20 114.58 121.79 2a1h h GLU 126 Ca 0.06 -0.23 -0.08 0.00 -0.13 0.00 0.00 59.36 58.98 2a1h h GLU 126 Cb 0.61 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 2a1h h GLU 126 CO 0.04 0.93 0.07 0.28 -0.73 0.00 0.00 179.01 179.60 2a1h h VAL 127 N 1.00 1.26 -0.84 0.32 2.07 -1.09 -2.93 116.25 116.04 2a1h h VAL 127 Ca 0.22 -1.05 -0.43 0.00 0.82 0.00 0.00 66.70 66.26 2a1h h VAL 127 Cb 0.31 0.74 -0.26 0.00 -1.52 0.00 0.00 31.29 30.56 2a1h h VAL 127 CO -0.01 0.39 0.47 0.47 0.02 0.00 0.00 177.57 178.91 2a1h n ASP 128 N -4.26 3.48 -0.18 0.57 8.00 -0.86 -4.72 116.55 118.57 2a1h n ASP 128 Ca 0.03 -3.64 0.11 0.00 0.71 0.00 0.00 54.79 52.00 2a1h n ASP 128 Cb 0.30 -0.79 0.42 0.00 -0.02 0.00 0.00 41.12 41.03 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 1.05 0.57 0.00 -1.24 1.57 -0.41 -1.50 116.57 116.61 2a1h h LYS 129 Ca 0.53 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 2a1h h LYS 129 Cb 2.58 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 34.76 2a1h h LYS 129 CO 0.93 0.38 0.00 -0.44 -0.57 0.00 0.00 179.45 179.75 2a1h h ASP 130 N 0.59 0.00 1.95 0.86 3.45 -1.86 -2.49 116.42 118.92 2a1h h ASP 130 Ca 0.36 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.82 2a1h h ASP 130 Cb 0.58 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.35 2a1h h ASP 130 CO -0.13 0.00 -0.00 -0.50 -1.57 0.00 0.00 179.24 177.04 2a1h h TRP 131 N 0.00 0.00 -3.03 4.55 4.06 -1.65 -3.44 115.95 116.44 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 0.35 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.47 2a1h h TRP 131 CO 0.00 0.00 0.97 0.08 -3.56 0.00 0.00 178.44 175.93 2a1h s VAL 132 N -3.20 4.11 0.60 1.49 1.01 -0.94 -4.70 120.40 118.77 2a1h s VAL 132 Ca 0.07 1.28 -0.16 0.00 0.00 0.00 0.00 61.98 63.18 2a1h s VAL 132 Cb 0.06 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 2a1h s VAL 132 CO 0.66 -0.36 1.06 -2.16 0.00 0.00 0.00 175.10 174.30 2a1h s PRO 133 N 4.06 3.29 0.00 2.72 0.04 -1.26 -4.92 135.00 138.93 2a1h s PRO 133 Ca 0.58 1.20 0.07 0.00 0.04 0.00 0.00 61.00 62.89 2a1h s PRO 133 Cb -0.19 -2.03 0.07 0.00 0.04 0.00 0.00 34.50 32.39 2a1h s PRO 133 CO 0.22 -0.83 0.78 -0.40 0.04 0.00 0.00 177.00 176.80 2a1h n ASP 134 N -2.07 1.71 -4.76 6.66 5.68 -1.26 -4.26 116.55 118.25 2a1h n ASP 134 Ca 0.09 -1.39 -0.33 0.00 -0.50 0.00 0.00 54.79 52.66 2a1h n ASP 134 Cb 0.53 -0.02 0.06 0.00 -1.14 0.00 0.00 41.12 40.55 2a1h n ASP 134 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2a1h s ALA 135 N -0.62 2.38 -0.07 2.12 0.00 -1.26 -4.83 121.76 119.48 2a1h s ALA 135 Ca 0.09 0.63 -0.37 0.00 0.00 0.00 0.00 51.96 52.31 2a1h s ALA 135 Cb 0.06 -3.35 -0.14 0.00 0.00 0.00 0.00 23.12 19.68 2a1h s ALA 135 CO 0.09 -1.42 1.66 0.00 0.00 0.00 0.00 175.76 176.09 2a1h n ALA 136 N -2.49 0.20 -0.40 0.00 0.00 -1.26 -1.79 120.51 114.78 2a1h n ALA 136 Ca 0.11 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2a1h n ALA 136 Cb 0.52 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 3.74 2.06 3.90 0.00 0.00 -1.26 -4.58 105.19 109.05 2a1h n GLY 137 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.29 4.39 0.29 2.61 -4.23 -0.74 -4.01 115.64 110.66 2a1h s THR 138 Ca 0.00 0.34 -0.15 0.00 -1.18 0.00 0.00 61.69 60.70 2a1h s THR 138 Cb 0.00 -3.72 0.06 0.00 1.34 0.00 0.00 72.50 70.18 2a1h s THR 138 CO 0.00 -0.80 0.75 -1.54 -0.54 0.00 0.00 174.62 172.49 2a1h n SER 139 N -2.54 -1.88 -4.24 3.99 3.41 -0.95 -4.74 113.62 106.68 2a1h n SER 139 Ca 0.04 -2.23 -0.34 0.00 -0.26 0.00 0.00 58.87 56.07 2a1h n SER 139 Cb 0.56 3.11 -0.15 0.00 -0.26 0.00 0.00 64.21 67.47 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 2.60 -0.13 1.04 2.96 -0.35 -0.70 118.68 124.09 2a1h s LEU 140 Ca 0.16 -0.49 -0.24 0.00 -0.22 0.00 0.00 54.13 53.33 2a1h s LEU 140 Cb -0.04 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 2a1h s LEU 140 CO 0.09 -0.01 0.77 -0.47 -1.32 0.00 0.00 176.35 175.41 2a1h s TYR 141 N 1.40 3.48 -0.22 5.38 5.04 0.17 -0.93 117.35 131.67 2a1h s TYR 141 Ca 0.05 1.24 -0.08 0.00 -2.44 0.00 0.00 57.07 55.84 2a1h s TYR 141 Cb -0.14 -2.92 -0.04 0.00 0.35 0.00 0.00 41.96 39.21 2a1h s TYR 141 CO -0.07 -0.11 0.10 0.08 -1.34 0.00 0.00 175.55 174.21 2a1h s VAL 142 N 1.61 4.88 -0.48 3.14 1.01 0.77 -0.81 120.40 130.52 2a1h s VAL 142 Ca 0.38 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.40 2a1h s VAL 142 Cb -0.17 -3.25 0.13 0.00 0.00 0.00 0.00 36.38 33.09 2a1h s VAL 142 CO 0.15 0.39 0.24 -0.60 0.00 0.00 0.00 175.10 175.27 2a1h s ARG 143 N 0.94 1.75 0.25 2.72 6.06 -0.04 -2.43 118.95 128.21 2a1h s ARG 143 Ca 0.05 -2.40 -0.25 0.00 -2.50 0.00 0.00 55.73 50.63 2a1h s ARG 143 Cb -0.14 -3.04 -0.09 0.00 0.06 0.00 0.00 34.95 31.74 2a1h s ARG 143 CO 0.03 -1.11 0.87 -2.14 -2.50 0.00 0.00 175.30 170.45 2a1h s PRO 144 N -0.03 4.57 -0.00 5.12 0.02 -1.25 -1.82 135.00 141.61 2a1h s PRO 144 Ca 0.17 1.23 -0.01 0.00 0.02 0.00 0.00 61.00 62.41 2a1h s PRO 144 Cb -0.25 -3.00 -0.00 0.00 0.02 0.00 0.00 34.50 31.26 2a1h s PRO 144 CO -0.01 0.41 0.02 0.08 -0.33 0.00 0.00 177.00 177.17 2a1h s VAL 145 N -1.42 0.03 -0.09 3.83 1.01 0.99 -1.39 120.40 123.35 2a1h s VAL 145 Ca 0.44 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 62.21 2a1h s VAL 145 Cb -0.21 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.10 2a1h s VAL 145 CO 0.25 -0.11 -0.06 -0.22 0.00 0.00 0.00 175.10 174.96 2a1h s LEU 146 N -0.33 1.11 0.14 3.92 2.96 -0.91 -0.94 118.68 124.63 2a1h s LEU 146 Ca -0.04 -0.23 0.08 0.00 -0.22 0.00 0.00 54.13 53.72 2a1h s LEU 146 Cb -0.02 -0.69 -0.04 0.00 0.50 0.00 0.00 46.19 45.94 2a1h s LEU 146 CO -0.00 -0.11 -0.17 0.27 -1.32 0.00 0.00 176.35 175.02 2a1h s ILE 147 N 1.55 1.63 0.30 6.68 -4.36 -0.20 -1.80 121.20 125.00 2a1h s ILE 147 Ca 0.01 -1.78 -0.27 0.00 -0.26 0.00 0.00 60.65 58.34 2a1h s ILE 147 Cb -0.13 -1.68 -0.10 0.00 1.25 0.00 0.00 42.46 41.80 2a1h s ILE 147 CO -0.05 -0.31 0.95 -0.83 0.24 0.00 0.00 174.94 174.95 2a1h s GLY 148 N -2.46 2.89 -0.16 6.27 0.00 0.90 -1.37 107.32 113.39 2a1h s GLY 148 Ca 0.12 0.57 0.22 0.00 0.00 0.00 0.00 44.72 45.62 2a1h s GLY 148 CO 0.05 1.05 1.15 -2.01 0.00 0.00 0.00 173.10 173.34 2a1h n ASN 149 N 0.79 1.69 -4.68 1.64 5.15 0.72 -2.68 115.26 117.89 2a1h n ASN 149 Ca 0.01 -2.35 -0.42 0.00 -0.60 0.00 0.00 54.58 51.21 2a1h n ASN 149 Cb 0.49 -0.40 -0.03 0.00 -0.53 0.00 0.00 39.78 39.31 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 -2.26 4.33 0.00 1.20 2.56 -1.23 -4.72 118.70 118.58 2a1h s GLU 150 Ca 0.33 1.62 -0.04 0.00 0.00 0.00 0.00 54.97 56.88 2a1h s GLU 150 Cb 0.36 -3.60 -0.18 0.00 2.00 0.00 0.00 34.13 32.71 2a1h s GLU 150 CO -0.09 -0.49 3.00 -2.30 -0.56 0.00 0.00 175.26 174.82 2a1h n PRO 151 N 5.51 1.61 -4.04 4.30 -0.02 -1.26 -1.97 135.00 139.13 2a1h n PRO 151 Ca 0.11 -0.66 -0.12 0.00 -2.02 0.00 0.00 63.50 60.82 2a1h n PRO 151 Cb 0.46 -1.68 -0.12 0.00 -0.02 0.00 0.00 33.50 32.15 2a1h n PRO 151 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2a1h s SER 152 N 2.03 0.66 0.00 2.55 0.15 -1.24 -4.89 113.70 112.96 2a1h s SER 152 Ca 0.44 -0.50 0.16 0.00 0.70 0.00 0.00 55.95 56.76 2a1h s SER 152 Cb 0.21 0.05 0.49 0.00 -1.71 0.00 0.00 66.02 65.06 2a1h s SER 152 CO 0.00 -0.21 1.39 0.18 1.20 0.00 0.00 173.24 175.80 2a1h n LEU 153 N 1.62 2.25 -4.76 3.45 4.77 -1.26 -4.54 117.00 118.53 2a1h n LEU 153 Ca -0.22 -1.06 -0.40 0.00 -0.03 0.00 0.00 56.01 54.30 2a1h n LEU 153 Cb 0.55 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.35 2a1h n LEU 153 CO 0.21 0.53 0.56 -0.83 -1.33 0.00 0.00 177.39 176.53 2a1h s GLY 154 N -1.21 3.00 -0.89 -0.72 0.00 -1.26 -4.98 107.32 101.26 2a1h s GLY 154 Ca 0.31 0.47 -0.23 0.00 0.00 0.00 0.00 44.72 45.27 2a1h s GLY 154 CO 0.23 1.05 1.28 0.14 0.00 0.00 0.00 173.10 175.80 2a1h s VAL 155 N -0.99 4.11 0.33 1.40 1.01 -1.26 -4.92 120.40 120.07 2a1h s VAL 155 Ca 0.39 -0.64 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 2a1h s VAL 155 Cb -0.24 -4.92 0.02 0.00 0.00 0.00 0.00 36.38 31.24 2a1h s VAL 155 CO 0.29 -1.77 0.60 -0.94 0.00 0.00 0.00 175.10 173.28 2a1h s SER 156 N 4.26 0.32 0.04 3.32 1.04 -1.26 -5.13 113.70 116.28 2a1h s SER 156 Ca 0.38 -1.19 -0.30 0.00 0.48 0.00 0.00 55.95 55.31 2a1h s SER 156 Cb -0.05 0.72 -0.07 0.00 0.10 0.00 0.00 66.02 66.71 2a1h s SER 156 CO -0.02 -1.40 1.63 -1.58 0.98 0.00 0.00 173.24 172.85 2a1h s GLN 157 N -3.07 4.20 0.32 4.02 0.74 -1.26 -4.96 119.66 119.66 2a1h s GLN 157 Ca 0.22 2.26 -0.29 0.00 0.05 0.00 0.00 55.36 57.61 2a1h s GLN 157 Cb -0.02 -3.69 -0.11 0.00 1.10 0.00 0.00 33.01 30.29 2a1h s GLN 157 CO 0.14 -0.74 1.45 -2.14 -0.55 0.00 0.00 175.29 173.45 2a1h s PRO 158 N 2.93 4.20 0.00 1.67 0.02 -1.26 -4.91 135.00 137.65 2a1h s PRO 158 Ca 0.73 2.43 0.25 0.00 0.02 0.00 0.00 61.00 64.43 2a1h s PRO 158 Cb -0.37 -3.03 0.45 0.00 0.02 0.00 0.00 34.50 31.57 2a1h s PRO 158 CO 0.31 -0.45 1.40 0.54 -0.33 0.00 0.00 177.00 178.48 2a1h n ARG 159 N 1.26 2.00 -3.82 5.54 1.74 -1.26 -4.88 116.66 117.24 2a1h n ARG 159 Ca 0.03 -1.53 -0.12 0.00 -0.77 0.00 0.00 57.85 55.46 2a1h n ARG 159 Cb 0.40 -1.47 -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 0.50 -1.52 0.00 0.00 177.63 176.61 2a1h s ARG 160 N -2.05 0.18 0.13 5.56 3.52 -1.26 -3.56 118.95 121.48 2a1h s ARG 160 Ca 0.30 0.19 -0.08 0.00 -0.13 0.00 0.00 55.73 56.00 2a1h s ARG 160 Cb 0.20 0.09 -0.01 0.00 -1.56 0.00 0.00 34.95 33.67 2a1h s ARG 160 CO 0.34 -0.02 0.23 0.00 -0.81 0.00 0.00 175.30 175.03 2a1h s ALA 161 N 0.03 -0.05 -0.04 6.12 0.00 -0.45 -0.20 121.76 127.17 2a1h s ALA 161 Ca -0.01 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.15 2a1h s ALA 161 Cb -0.01 0.70 0.03 0.00 0.00 0.00 0.00 23.12 23.83 2a1h s ALA 161 CO 0.00 -0.58 -0.01 -1.17 0.00 0.00 0.00 175.76 174.00 2a1h s LEU 162 N -2.93 1.09 -0.16 0.00 2.96 -0.47 -1.31 118.68 117.85 2a1h s LEU 162 Ca 0.12 -0.06 -0.03 0.00 -0.22 0.00 0.00 54.13 53.95 2a1h s LEU 162 Cb 0.04 -0.31 -0.02 0.00 0.50 0.00 0.00 46.19 46.40 2a1h s LEU 162 CO -0.05 -0.11 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.59 2a1h s LEU 163 N 1.17 3.00 0.03 -0.68 0.20 0.16 -1.03 118.68 121.52 2a1h s LEU 163 Ca -0.08 -0.26 -0.02 0.00 0.69 0.00 0.00 54.13 54.47 2a1h s LEU 163 Cb -0.13 -1.72 -0.02 0.00 -0.43 0.00 0.00 46.19 43.88 2a1h s LEU 163 CO -0.02 0.12 0.00 0.72 -0.29 0.00 0.00 176.35 176.88 2a1h s PHE 164 N 0.65 0.28 -0.07 5.38 -0.71 -0.11 -0.32 117.98 123.08 2a1h s PHE 164 Ca -0.04 -0.58 0.01 0.00 -1.04 0.00 0.00 56.93 55.28 2a1h s PHE 164 Cb -0.15 -0.21 0.02 0.00 -1.21 0.00 0.00 43.02 41.48 2a1h s PHE 164 CO 0.02 -0.26 -0.06 0.08 -1.34 0.00 0.00 175.22 173.67 2a1h s VAL 165 N -2.04 0.75 0.20 -2.49 1.01 -0.69 -0.01 120.40 117.14 2a1h s VAL 165 Ca -0.10 -0.21 0.11 0.00 0.00 0.00 0.00 61.98 61.78 2a1h s VAL 165 Cb -0.05 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 2a1h s VAL 165 CO -0.03 0.29 -0.22 0.27 0.00 0.00 0.00 175.10 175.41 2a1h s ILE 166 N 1.15 2.43 0.04 2.22 -4.36 -0.76 -1.55 121.20 120.37 2a1h s ILE 166 Ca -0.07 -2.05 0.07 0.00 -0.26 0.00 0.00 60.65 58.35 2a1h s ILE 166 Cb -0.14 -2.18 -0.02 0.00 1.25 0.00 0.00 42.46 41.36 2a1h s ILE 166 CO -0.01 -0.15 -0.21 -0.76 0.24 0.00 0.00 174.94 174.05 2a1h s LEU 167 N -2.78 2.15 -0.07 0.37 1.43 -1.26 -0.86 118.68 117.66 2a1h s LEU 167 Ca 0.22 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 52.80 2a1h s LEU 167 Cb -0.08 -1.00 0.03 0.00 0.03 0.00 0.00 46.19 45.17 2a1h s LEU 167 CO 0.11 0.17 -0.00 0.00 0.23 0.00 0.00 176.35 176.86 2a1h s PRO 169 N 1.88 4.43 0.13 0.00 0.04 -1.25 0.45 135.00 140.68 2a1h s PRO 169 Ca 0.04 1.69 0.10 0.00 0.04 0.00 0.00 61.00 62.87 2a1h s PRO 169 Cb -0.12 -3.42 -0.04 0.00 0.04 0.00 0.00 34.50 30.96 2a1h s PRO 169 CO -0.05 -0.27 -0.23 0.14 0.04 0.00 0.00 177.00 176.63 2a1h s VAL 170 N 1.35 1.99 0.64 -0.36 -7.23 0.12 -4.78 120.40 112.12 2a1h s VAL 170 Ca 0.57 -1.71 -0.09 0.00 -1.81 0.00 0.00 61.98 58.93 2a1h s VAL 170 Cb -0.27 -1.80 0.14 0.00 0.56 0.00 0.00 36.38 35.01 2a1h s VAL 170 CO 0.27 -0.04 0.87 0.61 -0.31 0.00 0.00 175.10 176.50 2a1h n GLY 171 N 0.85 -1.03 3.75 2.32 0.00 -1.26 -2.23 105.19 107.58 2a1h n GLY 171 Ca -0.18 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 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 -3.82 3.45 0.25 4.61 0.00 -1.26 -4.59 121.76 120.41 2a1h s ALA 172 Ca 0.50 1.00 0.03 0.00 0.00 0.00 0.00 51.96 53.50 2a1h s ALA 172 Cb -0.02 -3.41 0.30 0.00 0.00 0.00 0.00 23.12 19.99 2a1h s ALA 172 CO 0.35 -0.39 1.61 -0.92 0.00 0.00 0.00 175.76 176.41 2a1h h TYR 173 N 4.79 0.41 -3.27 0.00 3.20 -1.85 -3.33 116.97 116.92 2a1h h TYR 173 Ca -0.45 -0.13 -0.64 0.00 3.14 0.00 0.00 58.73 60.64 2a1h h TYR 173 Cb 1.21 -0.08 -0.41 0.00 1.54 0.00 0.00 36.73 39.00 2a1h h TYR 173 CO 0.61 0.76 -0.54 -0.06 -1.64 0.00 0.00 178.16 177.29 2a1h s PHE 174 N -4.02 3.42 0.19 -3.82 0.40 -1.26 -5.04 117.98 107.85 2a1h s PHE 174 Ca -0.05 -3.20 -0.32 0.00 -0.60 0.00 0.00 56.93 52.76 2a1h s PHE 174 Cb 0.12 -2.84 -0.11 0.00 0.51 0.00 0.00 43.02 40.71 2a1h s PHE 174 CO 0.80 -0.66 1.63 -2.14 0.70 0.00 0.00 175.22 175.54 2a1h s PRO 175 N -0.86 4.17 0.00 0.24 0.02 -1.25 -1.71 135.00 135.61 2a1h s PRO 175 Ca 0.21 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.70 2a1h s PRO 175 Cb -0.15 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.26 2a1h s PRO 175 CO -0.08 -0.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.34 2a1h n GLY 176 N 3.69 2.94 0.00 0.52 0.00 -1.26 -4.47 105.19 106.62 2a1h n GLY 176 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.98 2.87 3.69 -0.02 0.00 -0.70 -5.06 105.19 103.99 2a1h n GLY 177 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 0.36 6.95 0.11 1.61 0.01 -1.26 -5.00 113.70 116.49 2a1h s SER 178 Ca 0.00 1.93 -0.31 0.00 1.31 0.00 0.00 55.95 58.89 2a1h s SER 178 Cb 0.00 -2.56 -0.07 0.00 0.21 0.00 0.00 66.02 63.61 2a1h s SER 178 CO 0.00 -0.66 1.24 0.68 0.41 0.00 0.00 173.24 174.91 2a1h s VAL 179 N 2.42 3.75 -0.10 3.43 -7.23 -1.26 -4.77 120.40 116.65 2a1h s VAL 179 Ca 0.59 1.32 0.04 0.00 -1.81 0.00 0.00 61.98 62.12 2a1h s VAL 179 Cb -0.27 -3.84 0.00 0.00 0.56 0.00 0.00 36.38 32.83 2a1h s VAL 179 CO 0.23 0.14 -0.23 0.42 -0.31 0.00 0.00 175.10 175.35 2a1h s THR 180 N 0.73 2.01 0.69 5.32 -4.23 -1.26 -5.06 115.64 113.84 2a1h s THR 180 Ca 0.58 -0.99 -0.11 0.00 -1.18 0.00 0.00 61.69 59.99 2a1h s THR 180 Cb -0.32 -1.74 0.01 0.00 1.34 0.00 0.00 72.50 71.79 2a1h s THR 180 CO 0.32 0.55 1.08 -2.16 -0.54 0.00 0.00 174.62 173.87 2a1h s PRO 181 N 0.38 2.97 0.20 3.99 0.04 -1.26 -4.53 135.00 136.78 2a1h s PRO 181 Ca -0.18 0.53 0.07 0.00 0.04 0.00 0.00 61.00 61.46 2a1h s PRO 181 Cb -0.18 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 2a1h s PRO 181 CO 0.08 -0.97 -0.13 0.14 0.04 0.00 0.00 177.00 176.16 2a1h s VAL 182 N -3.31 1.60 -0.08 -0.36 -7.23 -0.85 -4.86 120.40 105.30 2a1h s VAL 182 Ca 0.58 -2.17 -0.04 0.00 -1.81 0.00 0.00 61.98 58.53 2a1h s VAL 182 Cb -0.11 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 2a1h s VAL 182 CO 0.52 -0.60 0.10 -0.44 -0.31 0.00 0.00 175.10 174.37 2a1h s SER 183 N -3.29 5.95 0.00 4.85 0.01 -1.26 -2.03 113.70 117.93 2a1h s SER 183 Ca 0.22 0.32 0.07 0.00 1.31 0.00 0.00 55.95 57.86 2a1h s SER 183 Cb 0.00 -1.83 -0.03 0.00 0.21 0.00 0.00 66.02 64.38 2a1h s SER 183 CO 0.06 0.36 -0.21 -0.76 0.41 0.00 0.00 173.24 173.10 2a1h s LEU 184 N -1.20 2.37 -0.23 2.44 1.43 0.02 -1.43 118.68 122.09 2a1h s LEU 184 Ca 0.17 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.73 2a1h s LEU 184 Cb -0.12 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.63 2a1h s LEU 184 CO 0.07 0.30 0.23 -0.22 0.23 0.00 0.00 176.35 176.95 2a1h s LEU 185 N -0.97 4.12 -0.41 1.79 2.96 -0.63 -0.19 118.68 125.34 2a1h s LEU 185 Ca 0.12 0.21 0.02 0.00 -0.22 0.00 0.00 54.13 54.26 2a1h s LEU 185 Cb -0.10 -2.22 0.11 0.00 0.50 0.00 0.00 46.19 44.48 2a1h s LEU 185 CO 0.02 0.01 0.15 0.00 -1.32 0.00 0.00 176.35 175.21 2a1h s ALA 186 N 1.20 3.08 -0.13 5.97 0.00 -0.07 -0.46 121.76 131.35 2a1h s ALA 186 Ca 0.11 -2.72 -0.01 0.00 0.00 0.00 0.00 51.96 49.34 2a1h s ALA 186 Cb -0.14 -2.16 0.03 0.00 0.00 0.00 0.00 23.12 20.85 2a1h s ALA 186 CO 0.06 -1.80 -0.06 0.34 0.00 0.00 0.00 175.76 174.29 2a1h s ASP 187 N 0.91 2.43 0.07 0.00 -1.08 -1.26 -4.20 116.67 113.54 2a1h s ASP 187 Ca 0.12 -0.45 0.09 0.00 -0.52 0.00 0.00 52.55 51.79 2a1h s ASP 187 Cb -0.21 -0.85 0.42 0.00 -1.46 0.00 0.00 42.92 40.82 2a1h s ASP 187 CO -0.05 -0.15 1.28 -0.81 0.52 0.00 0.00 175.17 175.96 2a1h n PRO 188 N 4.92 0.04 0.26 4.34 -0.04 -1.26 -2.77 135.00 140.50 2a1h n PRO 188 Ca -0.12 0.45 0.14 0.00 -0.04 0.00 0.00 63.50 63.93 2a1h n PRO 188 Cb 0.49 -1.60 0.65 0.00 -0.04 0.00 0.00 33.50 33.00 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 2.15 1.06 -3.09 0.55 0.00 -1.96 -3.42 119.26 114.55 2a1h h ALA 189 Ca 0.00 -0.09 -0.62 0.00 0.00 0.00 0.00 54.91 54.20 2a1h h ALA 189 Cb 0.09 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 17.72 2a1h h ALA 189 CO 0.00 0.13 -0.51 -0.06 0.00 0.00 0.00 179.25 178.80 2a1h s PHE 190 N -3.79 3.30 -0.10 0.00 2.99 -1.11 -5.08 117.98 114.18 2a1h s PHE 190 Ca -0.00 0.18 0.03 0.00 0.00 0.00 0.00 56.93 57.15 2a1h s PHE 190 Cb 0.10 -2.26 0.00 0.00 0.00 0.00 0.00 43.02 40.87 2a1h s PHE 190 CO 0.57 0.05 -0.21 0.42 -0.00 0.00 0.00 175.22 176.05 2a1h s ILE 191 N 1.06 1.89 -0.11 0.64 -1.09 -1.26 -4.47 121.20 117.86 2a1h s ILE 191 Ca 0.07 -0.91 -0.15 0.00 -2.23 0.00 0.00 60.65 57.43 2a1h s ILE 191 Cb -0.14 -1.65 -0.27 0.00 -1.58 0.00 0.00 42.46 38.83 2a1h s ILE 191 CO 0.04 0.52 0.52 -0.09 -1.23 0.00 0.00 174.94 174.71 2a1h h ARG 192 N 6.87 0.23 -3.65 2.79 2.43 -1.97 -3.49 114.38 117.59 2a1h h ARG 192 Ca -0.23 -0.39 -0.07 0.00 -0.81 0.00 0.00 59.98 58.48 2a1h h ARG 192 Cb 1.22 0.15 -0.12 0.00 -0.42 0.00 0.00 29.97 30.80 2a1h h ARG 192 CO 0.48 1.19 -0.20 0.00 -1.51 0.00 0.00 179.97 179.93 2a1h s ALA 193 N -2.48 -0.41 0.06 2.80 0.00 -1.26 -4.90 121.76 115.58 2a1h s ALA 193 Ca -0.21 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.23 2a1h s ALA 193 Cb 0.05 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 2a1h s ALA 193 CO 0.75 -0.67 -0.10 -0.46 0.00 0.00 0.00 175.76 175.29 2a1h s TRP 194 N -3.91 0.90 0.06 0.00 -0.11 -1.26 -4.97 118.94 109.66 2a1h s TRP 194 Ca 0.11 -0.54 -0.31 0.00 1.22 0.00 0.00 56.10 56.58 2a1h s TRP 194 Cb 0.02 -0.52 -0.08 0.00 -1.50 0.00 0.00 33.47 31.40 2a1h s TRP 194 CO -0.04 -0.03 1.59 0.08 -4.62 0.00 0.00 176.95 173.92 2a1h s VAL 195 N -1.68 3.17 0.00 5.86 1.01 -1.26 -0.76 120.40 126.73 2a1h s VAL 195 Ca -0.04 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.57 2a1h s VAL 195 Cb -0.08 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.90 2a1h s VAL 195 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.72 2a1h n GLY 196 N 3.89 0.33 0.00 4.51 0.00 -1.26 -5.06 105.19 107.60 2a1h n GLY 196 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.78 1.31 0.23 -0.02 0.00 0.06 -5.06 105.19 99.92 2a1h n GLY 197 Ca 0.00 -1.84 0.08 0.00 0.00 0.00 0.00 46.02 44.26 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 1.60 0.32 1.61 0.24 -1.26 -4.78 118.33 116.06 2a1h n VAL 198 Ca 0.00 -2.02 0.11 0.00 -2.04 0.00 0.00 64.34 60.39 2a1h n VAL 198 Cb 0.00 -0.10 0.51 0.00 -1.47 0.00 0.00 33.84 32.78 2a1h n VAL 198 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2a1h n GLY 199 N -1.14 -1.13 0.62 7.63 0.00 -1.26 -2.11 105.19 107.80 2a1h n GLY 199 Ca 0.14 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.35 2a1h n GLY 199 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2a1h n ASN 200 N -2.21 1.81 -4.29 1.61 2.04 -1.20 -3.92 115.26 109.10 2a1h n ASN 200 Ca 0.01 -1.88 -0.26 0.00 -0.44 0.00 0.00 54.58 52.02 2a1h n ASN 200 Cb 0.16 -0.18 -0.13 0.00 -2.53 0.00 0.00 39.78 37.10 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 -1.63 1.91 -1.32 -2.53 2.02 -0.90 -4.43 117.35 110.47 2a1h s TYR 201 Ca 0.27 -0.40 -0.10 0.00 -0.37 0.00 0.00 57.07 56.47 2a1h s TYR 201 Cb 0.15 -1.08 0.14 0.00 -0.40 0.00 0.00 41.96 40.76 2a1h s TYR 201 CO 0.20 0.18 1.96 1.17 -1.57 0.00 0.00 175.55 177.50 2a1h n LYS 202 N 1.37 3.46 -4.18 -0.62 4.81 -1.26 -4.95 118.16 116.78 2a1h n LYS 202 Ca -0.18 -3.31 -0.35 0.00 -0.87 0.00 0.00 58.31 53.60 2a1h n LYS 202 Cb 0.53 -3.00 -0.08 0.00 0.02 0.00 0.00 35.03 32.50 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 0.35 3.85 0.38 3.14 1.43 -1.26 -2.19 118.68 124.38 2a1h s LEU 203 Ca 0.41 0.21 0.15 0.00 -1.03 0.00 0.00 54.13 53.87 2a1h s LEU 203 Cb 0.11 -2.03 1.00 0.00 0.03 0.00 0.00 46.19 45.30 2a1h s LEU 203 CO -0.02 0.35 1.79 1.23 0.23 0.00 0.00 176.35 179.93 2a1h h GLY 204 N 4.74 1.30 0.81 -3.19 0.00 -1.84 -2.12 103.07 102.77 2a1h h GLY 204 Ca -0.51 -0.24 0.15 0.00 0.00 0.00 0.00 47.33 46.73 2a1h h GLY 204 CO 0.58 -0.09 0.44 -1.33 0.00 0.00 0.00 176.54 176.14 2a1h h GLY 205 N 0.49 0.00 2.00 4.60 0.00 -1.85 -1.88 103.07 106.43 2a1h h GLY 205 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.89 2a1h h GLY 205 CO -0.30 0.00 0.00 3.43 0.00 0.00 0.00 176.54 179.67 2a1h h ASN 206 N 0.00 0.00 0.05 0.19 -0.26 -1.75 -3.38 115.58 110.43 2a1h h ASN 206 Ca 0.25 0.00 -0.38 0.00 -0.56 0.00 0.00 56.30 55.61 2a1h h ASN 206 Cb 1.14 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 38.35 2a1h h ASN 206 CO -0.00 0.00 -2.30 -1.22 -1.06 0.00 0.00 177.43 172.85 2a1h n TYR 207 N -2.41 0.45 -0.17 1.19 4.02 -0.71 -4.49 117.16 115.05 2a1h n TYR 207 Ca 0.05 0.10 -0.01 0.00 -0.01 0.00 0.00 57.90 58.02 2a1h n TYR 207 Cb 0.43 -1.06 0.07 0.00 -0.02 0.00 0.00 39.34 38.76 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 1.80 0.55 2.00 2.72 0.00 -1.74 -1.79 103.07 106.61 2a1h h GLY 208 Ca -0.52 0.07 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2a1h h GLY 208 CO -0.02 -0.15 0.00 -2.55 0.00 0.00 0.00 176.54 173.82 2a1h h PRO 209 N 0.12 0.00 0.00 4.80 0.11 -1.79 -2.84 132.00 132.40 2a1h h PRO 209 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 2a1h h PRO 209 Cb 0.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.53 2a1h h PRO 209 CO -0.44 0.00 -0.04 1.79 -0.21 0.00 0.00 178.00 179.09 2a1h h THR 210 N 0.00 0.00 -0.25 -1.15 1.35 -1.55 -3.37 112.91 107.94 2a1h h THR 210 Ca 0.00 -0.92 0.04 0.00 -0.55 0.00 0.00 66.41 64.98 2a1h h THR 210 Cb 0.11 1.89 -0.04 0.00 -1.73 0.00 0.00 68.15 68.39 2a1h h THR 210 CO 0.00 0.00 0.03 0.58 -0.25 0.00 0.00 175.52 175.88 2a1h h VAL 211 N 0.00 0.86 -0.56 6.82 2.07 -1.58 -0.52 116.25 123.33 2a1h h VAL 211 Ca 0.00 -0.04 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 2a1h h VAL 211 Cb 0.96 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 2a1h h VAL 211 CO 0.00 0.02 0.11 0.25 0.02 0.00 0.00 177.57 177.97 2a1h h LEU 212 N 0.12 0.82 -0.44 2.57 5.85 -1.80 -1.88 115.31 120.55 2a1h h LEU 212 Ca 0.12 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.59 2a1h h LEU 212 Cb 0.13 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2a1h h LEU 212 CO -0.17 0.82 -0.08 0.58 -0.34 0.00 0.00 178.44 179.25 2a1h h VAL 213 N 0.83 1.27 -0.76 1.05 2.07 -1.67 -2.20 116.25 116.85 2a1h h VAL 213 Ca 0.18 -1.17 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 2a1h h VAL 213 Cb 0.34 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2a1h h VAL 213 CO 0.00 0.40 0.32 -0.61 0.02 0.00 0.00 177.57 177.71 2a1h h GLN 214 N 0.66 1.11 -0.37 1.57 5.75 -0.84 -1.39 115.11 121.60 2a1h h GLN 214 Ca 0.12 -0.18 -0.07 0.00 -0.15 0.00 0.00 58.65 58.37 2a1h h GLN 214 Cb 0.60 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.95 2a1h h GLN 214 CO 0.04 0.88 -0.05 1.96 -2.65 0.00 0.00 178.83 179.02 2a1h h GLN 215 N 1.09 0.61 -0.12 1.69 1.08 -1.10 -1.34 115.11 117.02 2a1h h GLN 215 Ca 0.26 -0.16 -0.14 0.00 -1.45 0.00 0.00 58.65 57.16 2a1h h GLN 215 Cb 0.17 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 2a1h h GLN 215 CO -0.03 0.66 -0.53 1.49 -0.95 0.00 0.00 178.83 179.48 2a1h h GLU 216 N 0.57 0.35 -0.45 1.46 4.57 -0.93 -1.41 114.58 118.75 2a1h h GLU 216 Ca 0.11 -0.22 -0.10 0.00 -1.18 0.00 0.00 59.36 57.98 2a1h h GLU 216 Cb 0.43 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 2a1h h GLU 216 CO 0.02 0.80 -0.10 0.00 -1.18 0.00 0.00 179.01 178.55 2a1h h ALA 217 N 1.16 0.61 -0.61 2.92 0.00 -0.75 -2.25 119.26 120.34 2a1h h ALA 217 Ca 0.01 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 2a1h h ALA 217 Cb 1.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2a1h h ALA 217 CO 0.09 0.50 0.05 -0.07 0.00 0.00 0.00 179.25 179.81 2a1h h LEU 218 N 0.69 1.00 -1.35 0.00 3.38 -1.01 0.38 115.31 118.40 2a1h h LEU 218 Ca 0.11 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 2a1h h LEU 218 Cb 0.64 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2a1h h LEU 218 CO 0.04 1.03 -0.09 0.50 0.09 0.00 0.00 178.44 180.01 2a1h h LYS 219 N 0.96 0.32 -0.24 1.13 3.64 -1.11 -1.42 116.57 119.85 2a1h h LYS 219 Ca 0.18 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2a1h h LYS 219 Cb 0.49 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2a1h h LYS 219 CO 0.02 0.43 0.00 0.54 -2.27 0.00 0.00 179.45 178.17 2a1h n ARG 220 N -4.28 1.61 -0.83 1.90 1.74 -0.86 -4.91 116.66 111.03 2a1h n ARG 220 Ca -0.00 -0.94 0.00 0.00 -0.77 0.00 0.00 57.85 56.14 2a1h n ARG 220 Cb 0.26 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 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 0.95 0.54 3.55 -0.13 0.00 -0.54 -5.06 105.19 104.51 2a1h n GLY 221 Ca 0.10 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 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 4.60 0.25 -4.88 0.00 3.07 -1.50 -2.85 114.58 113.26 2a1h h GLU 223 Ca -0.48 -0.34 -0.36 0.00 -0.50 0.00 0.00 59.36 57.67 2a1h h GLU 223 Cb 1.16 0.12 -0.14 0.00 -0.84 0.00 0.00 28.75 29.05 2a1h h GLU 223 CO 0.52 1.10 -0.60 -0.65 -1.40 0.00 0.00 179.01 177.98 2a1h s GLN 224 N -2.92 1.45 -0.16 2.33 -1.52 -1.07 -4.87 119.66 112.90 2a1h s GLN 224 Ca -0.03 -1.80 -0.06 0.00 -1.95 0.00 0.00 55.36 51.52 2a1h s GLN 224 Cb 0.08 -0.22 -0.04 0.00 -0.22 0.00 0.00 33.01 32.62 2a1h s GLN 224 CO 0.86 -0.33 0.04 0.08 -0.25 0.00 0.00 175.29 175.68 2a1h s VAL 225 N -3.73 4.56 -0.42 1.09 1.01 -1.26 -1.61 120.40 120.05 2a1h s VAL 225 Ca 0.37 -0.12 -0.19 0.00 0.00 0.00 0.00 61.98 62.04 2a1h s VAL 225 Cb 0.07 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.45 2a1h s VAL 225 CO 0.14 0.50 0.54 -0.22 0.00 0.00 0.00 175.10 176.06 2a1h s LEU 226 N 0.11 4.66 -0.37 3.92 2.96 0.39 0.24 118.68 130.59 2a1h s LEU 226 Ca 0.03 -0.47 -0.29 0.00 -0.22 0.00 0.00 54.13 53.18 2a1h s LEU 226 Cb -0.13 -2.56 0.02 0.00 0.50 0.00 0.00 46.19 44.03 2a1h s LEU 226 CO 0.01 -0.66 1.16 0.26 -1.32 0.00 0.00 176.35 175.80 2a1h s TRP 227 N 2.46 2.90 -0.00 5.38 0.52 -0.26 -4.42 118.94 125.52 2a1h s TRP 227 Ca 0.17 0.95 -0.04 0.00 0.02 0.00 0.00 56.10 57.21 2a1h s TRP 227 Cb -0.16 -4.01 -0.04 0.00 -1.15 0.00 0.00 33.47 28.12 2a1h s TRP 227 CO 0.16 -1.20 0.20 -0.51 0.02 0.00 0.00 176.95 175.63 2a1h s LEU 228 N 4.16 4.37 0.00 2.99 1.43 -1.26 -1.14 118.68 129.23 2a1h s LEU 228 Ca 0.49 0.40 0.02 0.00 -1.03 0.00 0.00 54.13 54.01 2a1h s LEU 228 Cb -0.12 -2.63 -0.01 0.00 0.03 0.00 0.00 46.19 43.46 2a1h s LEU 228 CO 0.23 0.26 -0.05 -0.47 0.23 0.00 0.00 176.35 176.55 2a1h s TYR 229 N -1.32 0.47 0.08 0.29 5.04 -0.13 -4.74 117.35 117.05 2a1h s TYR 229 Ca 0.27 -0.13 0.00 0.00 -2.44 0.00 0.00 57.07 54.77 2a1h s TYR 229 Cb -0.13 -0.30 0.00 0.00 0.35 0.00 0.00 41.96 41.88 2a1h s TYR 229 CO 0.18 -0.02 0.00 0.41 -1.34 0.00 0.00 175.55 174.78 2a1h n GLY 230 N 2.78 -2.06 0.26 8.97 0.00 -1.26 -0.51 105.19 113.37 2a1h n GLY 230 Ca -0.14 -1.43 0.13 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.24 0.00 -0.04 1.61 0.11 -2.01 -2.37 132.00 129.06 2a1h h PRO 231 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2a1h h PRO 231 Cb 0.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.35 2a1h h PRO 231 CO 0.01 0.11 0.00 -0.40 -0.21 0.00 0.00 178.00 177.51 2a1h n ASP 232 N -3.59 1.21 -3.46 -2.05 5.75 -1.26 -4.98 116.55 108.17 2a1h n ASP 232 Ca -0.02 -1.45 -0.22 0.00 -0.01 0.00 0.00 54.79 53.10 2a1h n ASP 232 Cb 0.24 -0.02 0.05 0.00 -1.03 0.00 0.00 41.12 40.36 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 -0.04 -2.24 -2.37 2.11 8.25 -0.89 -4.12 115.22 115.93 2a1h n HIS 233 Ca 0.19 0.69 -0.41 0.00 -0.26 0.00 0.00 57.72 57.93 2a1h n HIS 233 Cb 0.30 -3.74 -0.03 0.00 1.12 0.00 0.00 29.99 27.63 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 -5.03 4.46 -0.18 -0.41 -0.21 0.34 -1.56 119.66 117.06 2a1h s GLN 234 Ca 0.41 1.86 -0.29 0.00 0.02 0.00 0.00 55.36 57.36 2a1h s GLN 234 Cb -0.10 -3.27 0.00 0.00 1.00 0.00 0.00 33.01 30.63 2a1h s GLN 234 CO 0.81 -0.17 1.01 -0.51 -2.12 0.00 0.00 175.29 174.31 2a1h s LEU 235 N 0.25 4.16 -0.07 2.90 1.02 0.49 -0.96 118.68 126.47 2a1h s LEU 235 Ca 0.56 1.41 -0.11 0.00 0.02 0.00 0.00 54.13 56.01 2a1h s LEU 235 Cb -0.32 -3.51 -0.04 0.00 0.02 0.00 0.00 46.19 42.34 2a1h s LEU 235 CO 0.34 -0.57 -0.21 0.35 0.02 0.00 0.00 176.35 176.28 2a1h n THR 236 N 5.01 1.36 -4.11 5.49 -2.24 -0.29 -4.62 114.28 114.89 2a1h n THR 236 Ca 0.10 0.21 -0.09 0.00 -2.27 0.00 0.00 64.05 62.00 2a1h n THR 236 Cb 0.47 -2.02 -0.10 0.00 -2.10 0.00 0.00 70.33 66.58 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 -2.53 0.65 -0.45 -0.78 0.41 -1.24 -4.13 118.70 110.64 2a1h s GLU 237 Ca -0.18 -1.14 -0.05 0.00 -0.41 0.00 0.00 54.97 53.19 2a1h s GLU 237 Cb 0.03 -0.02 0.12 0.00 -1.78 0.00 0.00 34.13 32.48 2a1h s GLU 237 CO 0.26 -0.05 0.28 0.08 -0.49 0.00 0.00 175.26 175.34 2a1h s VAL 238 N -3.24 3.67 0.00 2.63 1.01 0.11 -1.10 120.40 123.49 2a1h s VAL 238 Ca 0.04 -2.02 0.00 0.00 0.00 0.00 0.00 61.98 60.01 2a1h s VAL 238 Cb 0.03 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.94 2a1h s VAL 238 CO -0.06 -0.74 0.00 0.61 0.00 0.00 0.00 175.10 174.91 2a1h n GLY 239 N 4.64 2.96 2.21 4.51 0.00 0.14 -1.06 105.19 118.59 2a1h n GLY 239 Ca -0.04 0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 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 2.49 -4.15 2.61 -2.24 -1.26 -4.90 114.28 106.83 2a1h n THR 240 Ca 0.00 -4.49 -0.14 0.00 -2.27 0.00 0.00 64.05 57.15 2a1h n THR 240 Cb 0.00 -1.19 -0.11 0.00 -2.10 0.00 0.00 70.33 66.93 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 -3.58 0.76 0.53 -0.78 -1.94 -0.22 -4.95 119.30 109.11 2a1h s MET 241 Ca 0.50 -1.05 -0.17 0.00 -1.71 0.00 0.00 55.69 53.26 2a1h s MET 241 Cb 0.41 -0.47 -0.07 0.00 2.01 0.00 0.00 34.83 36.70 2a1h s MET 241 CO -0.05 0.08 1.01 -0.80 -0.01 0.00 0.00 175.02 175.25 2a1h s ASN 242 N -2.20 6.34 -0.06 3.03 0.01 -0.18 -0.71 114.94 121.17 2a1h s ASN 242 Ca 0.01 1.71 -0.00 0.00 -0.71 0.00 0.00 52.86 53.87 2a1h s ASN 242 Cb -0.05 -2.53 -0.03 0.00 0.41 0.00 0.00 41.25 39.05 2a1h s ASN 242 CO -0.00 -0.78 -0.02 -0.51 -1.51 0.00 0.00 177.10 174.27 2a1h s ILE 243 N -2.43 4.08 0.01 0.60 2.07 -1.26 -0.58 121.20 123.69 2a1h s ILE 243 Ca 0.62 -0.40 0.04 0.00 -1.41 0.00 0.00 60.65 59.50 2a1h s ILE 243 Cb -0.13 -2.72 -0.01 0.00 0.13 0.00 0.00 42.46 39.73 2a1h s ILE 243 CO 0.30 0.55 -0.12 -0.36 -1.91 0.00 0.00 174.94 173.39 2a1h s PHE 244 N -0.90 1.11 -0.08 3.50 0.40 0.45 -4.28 117.98 118.17 2a1h s PHE 244 Ca 0.14 -0.26 0.01 0.00 -0.60 0.00 0.00 56.93 56.23 2a1h s PHE 244 Cb -0.11 -0.69 0.02 0.00 0.51 0.00 0.00 43.02 42.74 2a1h s PHE 244 CO 0.04 -0.00 -0.11 0.08 0.70 0.00 0.00 175.22 175.92 2a1h s VAL 245 N -0.49 1.12 -0.33 -0.44 1.01 -0.29 -1.33 120.40 119.66 2a1h s VAL 245 Ca 0.03 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 2a1h s VAL 245 Cb -0.06 -1.05 0.03 0.00 0.00 0.00 0.00 36.38 35.30 2a1h s VAL 245 CO 0.00 0.36 0.10 -0.47 0.00 0.00 0.00 175.10 175.09 2a1h s TYR 246 N 0.96 3.23 0.32 5.22 5.04 0.15 -0.96 117.35 131.32 2a1h s TYR 246 Ca -0.09 -1.34 -0.09 0.00 -2.44 0.00 0.00 57.07 53.11 2a1h s TYR 246 Cb -0.15 -2.27 0.01 0.00 0.35 0.00 0.00 41.96 39.90 2a1h s TYR 246 CO 0.00 -0.70 0.53 1.67 -1.34 0.00 0.00 175.55 175.71 2a1h s TRP 247 N 1.42 0.64 -0.37 4.97 -2.14 -0.71 -1.05 118.94 121.71 2a1h s TRP 247 Ca -0.01 -1.00 -0.14 0.00 2.66 0.00 0.00 56.10 57.61 2a1h s TRP 247 Cb -0.19 0.18 -0.00 0.00 -3.10 0.00 0.00 33.47 30.36 2a1h s TRP 247 CO 0.03 -1.16 0.27 0.99 -2.66 0.00 0.00 176.95 174.42 2a1h s THR 248 N -3.27 5.27 1.15 0.66 2.01 -0.62 -0.78 115.64 120.06 2a1h s THR 248 Ca 0.25 -0.37 -0.15 0.00 0.31 0.00 0.00 61.69 61.73 2a1h s THR 248 Cb -0.01 -3.80 0.26 0.00 0.01 0.00 0.00 72.50 68.96 2a1h s THR 248 CO 0.15 -0.13 1.05 -2.28 -0.69 0.00 0.00 174.62 172.72 2a1h s HIS 249 N 1.72 1.26 0.60 4.92 2.46 -0.23 -4.81 115.29 121.21 2a1h s HIS 249 Ca 0.06 0.90 0.31 0.00 0.47 0.00 0.00 55.06 56.80 2a1h s HIS 249 Cb -0.18 -3.20 1.86 0.00 -0.13 0.00 0.00 32.58 30.94 2a1h s HIS 249 CO 0.10 -3.67 2.26 0.93 -2.47 0.00 0.00 174.74 171.89 2a1h h GLU 250 N -2.46 0.00 -0.12 2.88 5.08 -1.98 -1.42 114.58 116.55 2a1h h GLU 250 Ca -0.55 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 2a1h h GLU 250 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2a1h h GLU 250 CO 0.48 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.09 2a1h n ASP 251 N -3.79 1.23 0.00 1.42 5.75 -1.26 -4.92 116.55 114.98 2a1h n ASP 251 Ca -0.03 -1.64 0.00 0.00 -0.01 0.00 0.00 54.79 53.12 2a1h n ASP 251 Cb 0.09 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 2a1h n ASP 251 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2a1h n GLY 252 N 1.04 0.86 3.81 6.12 0.00 -0.54 -5.05 105.19 111.44 2a1h n GLY 252 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.43 5.13 -0.03 1.61 1.01 -1.26 -4.81 120.40 118.63 2a1h s VAL 253 Ca 0.00 0.76 -0.30 0.00 0.00 0.00 0.00 61.98 62.44 2a1h s VAL 253 Cb 0.00 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2a1h s VAL 253 CO 0.00 0.52 1.19 -0.22 0.00 0.00 0.00 175.10 176.58 2a1h s LEU 254 N -0.59 4.30 0.10 3.92 2.96 -1.26 -1.07 118.68 127.05 2a1h s LEU 254 Ca 0.22 1.85 -0.09 0.00 -0.22 0.00 0.00 54.13 55.90 2a1h s LEU 254 Cb -0.15 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 42.97 2a1h s LEU 254 CO 0.11 -0.54 0.21 -1.83 -1.32 0.00 0.00 176.35 172.97 2a1h s GLU 255 N 1.88 0.90 -0.21 1.98 -1.05 0.04 -2.35 118.70 119.89 2a1h s GLU 255 Ca 0.56 -1.00 -0.03 0.00 -0.15 0.00 0.00 54.97 54.36 2a1h s GLU 255 Cb -0.26 0.35 -0.00 0.00 -0.44 0.00 0.00 34.13 33.78 2a1h s GLU 255 CO 0.24 -0.29 -0.07 -1.17 0.95 0.00 0.00 175.26 174.91 2a1h s LEU 256 N -2.88 2.75 0.08 1.83 2.96 -0.46 -1.73 118.68 121.24 2a1h s LEU 256 Ca 0.07 -0.44 0.09 0.00 -0.22 0.00 0.00 54.13 53.63 2a1h s LEU 256 Cb 0.05 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 2a1h s LEU 256 CO -0.09 -0.02 -0.23 0.54 -1.32 0.00 0.00 176.35 175.23 2a1h s VAL 257 N 1.44 1.89 -0.01 1.68 0.11 -0.13 -1.94 120.40 123.44 2a1h s VAL 257 Ca 0.06 -1.46 -0.08 0.00 -2.93 0.00 0.00 61.98 57.57 2a1h s VAL 257 Cb -0.14 -1.66 0.00 0.00 -1.53 0.00 0.00 36.38 33.05 2a1h s VAL 257 CO -0.05 0.12 0.15 0.28 -3.33 0.00 0.00 175.10 172.27 2a1h s THR 258 N -0.97 0.07 0.52 5.04 -1.32 -1.11 -1.13 115.64 116.74 2a1h s THR 258 Ca 0.09 -0.58 -0.23 0.00 -1.21 0.00 0.00 61.69 59.77 2a1h s THR 258 Cb -0.10 -0.42 -0.06 0.00 -1.51 0.00 0.00 72.50 70.42 2a1h s THR 258 CO 0.04 -0.32 1.39 -2.84 -2.21 0.00 0.00 174.62 170.68 2a1h s PRO 259 N -1.17 3.28 0.75 7.08 0.02 -1.24 -1.59 135.00 142.13 2a1h s PRO 259 Ca -0.13 2.32 -0.11 0.00 0.02 0.00 0.00 61.00 63.10 2a1h s PRO 259 Cb -0.07 -2.38 0.04 0.00 0.02 0.00 0.00 34.50 32.12 2a1h s PRO 259 CO 0.02 -1.10 1.09 -1.25 -0.33 0.00 0.00 177.00 175.42 2a1h s PRO 260 N -2.77 2.50 -1.32 5.54 0.04 -1.26 -4.74 135.00 132.98 2a1h s PRO 260 Ca 0.69 0.63 -0.16 0.00 0.04 0.00 0.00 61.00 62.20 2a1h s PRO 260 Cb -0.42 -1.97 0.09 0.00 0.04 0.00 0.00 34.50 32.24 2a1h s PRO 260 CO 0.51 -1.33 1.82 1.28 0.04 0.00 0.00 177.00 179.33 2a1h n LEU 261 N -3.23 5.60 -1.08 -3.56 4.77 -1.26 -4.68 117.00 113.55 2a1h n LEU 261 Ca 0.07 -4.12 0.12 0.00 -0.03 0.00 0.00 56.01 52.05 2a1h n LEU 261 Cb 0.56 -1.69 0.18 0.00 -2.33 0.00 0.00 43.42 40.14 2a1h n LEU 261 CO 0.57 0.58 0.67 -0.46 -1.33 0.00 0.00 177.39 177.42 2a1h n ASN 262 N 7.03 3.31 0.00 -1.43 0.23 -1.26 -4.97 115.26 118.16 2a1h n ASN 262 Ca 0.47 -1.98 0.00 0.00 -0.53 0.00 0.00 54.58 52.54 2a1h n ASN 262 Cb 0.43 -0.18 0.00 0.00 -2.08 0.00 0.00 39.78 37.95 2a1h n ASN 262 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2a1h n GLY 263 N 1.42 1.26 0.70 4.83 0.00 -1.26 -4.89 105.19 107.25 2a1h n GLY 263 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 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 -4.48 1.61 0.24 -1.26 -3.24 118.33 111.20 2a1h n VAL 264 Ca 0.00 -0.46 -0.34 0.00 -2.04 0.00 0.00 64.34 61.51 2a1h n VAL 264 Cb 0.00 1.36 -0.12 0.00 -1.47 0.00 0.00 33.84 33.61 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 -1.72 3.79 -0.17 1.34 -1.09 -1.26 -4.71 121.20 117.38 2a1h s ILE 265 Ca 0.21 -0.40 -0.26 0.00 -2.23 0.00 0.00 60.65 57.97 2a1h s ILE 265 Cb 0.16 -2.63 -0.01 0.00 -1.58 0.00 0.00 42.46 38.39 2a1h s ILE 265 CO 0.29 0.52 0.87 -0.22 -1.23 0.00 0.00 174.94 175.16 2a1h s LEU 266 N 0.13 4.18 -1.06 2.97 0.20 -1.25 -4.35 118.68 119.49 2a1h s LEU 266 Ca -0.02 1.23 -0.24 0.00 0.69 0.00 0.00 54.13 55.80 2a1h s LEU 266 Cb -0.14 -3.29 -0.08 0.00 -0.43 0.00 0.00 46.19 42.25 2a1h s LEU 266 CO 0.03 -0.42 1.96 -2.16 -0.29 0.00 0.00 176.35 175.46 2a1h s PRO 267 N 2.20 2.45 0.52 0.98 0.04 -1.26 -4.92 135.00 135.00 2a1h s PRO 267 Ca 0.40 -0.77 -0.22 0.00 0.04 0.00 0.00 61.00 60.45 2a1h s PRO 267 Cb -0.17 -5.15 -0.06 0.00 0.04 0.00 0.00 34.50 29.16 2a1h s PRO 267 CO 0.13 -3.82 1.25 0.20 0.04 0.00 0.00 177.00 174.80 2a1h s GLY 268 N 7.26 2.82 0.08 0.56 0.00 -1.26 -4.95 107.32 111.83 2a1h s GLY 268 Ca 0.70 1.11 -0.15 0.00 0.00 0.00 0.00 44.72 46.39 2a1h s GLY 268 CO 0.08 1.59 1.31 -2.08 0.00 0.00 0.00 173.10 173.99 2a1h h VAL 269 N 1.54 1.31 -0.35 1.40 2.07 -1.97 -2.17 116.25 118.10 2a1h h VAL 269 Ca -0.50 -1.80 -0.11 0.00 0.82 0.00 0.00 66.70 65.11 2a1h h VAL 269 Cb 1.28 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 2a1h h VAL 269 CO 0.58 0.56 -0.23 0.58 0.02 0.00 0.00 177.57 179.08 2a1h h VAL 270 N 0.38 1.27 -0.03 2.57 2.07 -1.93 -0.99 116.25 119.59 2a1h h VAL 270 Ca -0.02 -1.32 0.01 0.00 0.82 0.00 0.00 66.70 66.19 2a1h h VAL 270 Cb 1.19 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 2a1h h VAL 270 CO 0.12 0.43 -0.05 -0.09 0.02 0.00 0.00 177.57 178.01 2a1h h ARG 271 N 0.59 -0.06 -0.47 1.57 2.43 -1.86 0.07 114.38 116.65 2a1h h ARG 271 Ca 0.08 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 2a1h h ARG 271 Cb 0.71 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 2a1h h ARG 271 CO 0.05 -0.04 -0.01 0.37 -1.51 0.00 0.00 179.97 178.83 2a1h h GLN 272 N -0.07 0.78 -0.49 0.20 5.75 -1.20 -2.32 115.11 117.77 2a1h h GLN 272 Ca 0.03 -0.21 -0.07 0.00 -0.15 0.00 0.00 58.65 58.25 2a1h h GLN 272 Cb 0.11 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 2a1h h GLN 272 CO -0.07 0.79 0.03 0.77 -2.65 0.00 0.00 178.83 177.70 2a1h h SER 273 N 0.73 0.75 -0.04 -0.69 0.02 -0.53 -0.13 113.55 113.65 2a1h h SER 273 Ca 0.14 -0.17 -0.19 0.00 -0.84 0.00 0.00 61.79 60.73 2a1h h SER 273 Cb 0.46 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2a1h h SER 273 CO 0.02 0.80 -0.65 -0.07 -1.14 0.00 0.00 176.83 175.79 2a1h h LEU 274 N 0.74 0.76 -0.55 5.07 3.38 -0.75 -1.03 115.31 122.94 2a1h h LEU 274 Ca 0.15 -0.45 -0.11 0.00 0.09 0.00 0.00 57.88 57.56 2a1h h LEU 274 Cb 0.41 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2a1h h LEU 274 CO 0.01 1.21 -0.10 -0.07 0.09 0.00 0.00 178.44 179.59 2a1h h LEU 275 N 0.48 1.04 -0.40 1.67 3.38 -1.10 -0.73 115.31 119.66 2a1h h LEU 275 Ca -0.02 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.53 2a1h h LEU 275 Cb 1.24 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2a1h h LEU 275 CO 0.13 1.14 -0.03 0.44 0.09 0.00 0.00 178.44 180.21 2a1h h ASP 276 N 0.92 0.72 -0.19 -0.43 3.45 -0.95 -1.84 116.42 118.10 2a1h h ASP 276 Ca 0.14 -0.33 -0.04 0.00 0.43 0.00 0.00 57.03 57.24 2a1h h ASP 276 Cb 0.67 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.24 2a1h h ASP 276 CO 0.05 0.88 -0.02 -0.03 -1.57 0.00 0.00 179.24 178.54 2a1h h MET 277 N 0.55 0.35 -0.34 3.56 4.05 -1.10 -2.12 114.93 119.89 2a1h h MET 277 Ca 0.11 -0.12 -0.06 0.00 -0.28 0.00 0.00 59.70 59.35 2a1h h MET 277 Cb 0.53 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 2a1h h MET 277 CO 0.03 0.58 -0.03 0.00 0.23 0.00 0.00 176.91 177.72 2a1h h ALA 278 N 0.75 1.32 -0.04 0.39 0.00 -1.13 -2.66 119.26 117.90 2a1h h ALA 278 Ca 0.05 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 2a1h h ALA 278 Cb 0.44 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2a1h h ALA 278 CO 0.01 0.46 -0.67 1.96 0.00 0.00 0.00 179.25 181.01 2a1h h GLN 279 N 0.51 0.19 -0.13 0.00 1.08 -1.27 -2.93 115.11 112.55 2a1h h GLN 279 Ca 0.10 -0.15 -0.12 0.00 -1.45 0.00 0.00 58.65 57.04 2a1h h GLN 279 Cb 0.38 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 2a1h h GLN 279 CO 0.02 0.79 -0.43 1.15 -0.95 0.00 0.00 178.83 179.41 2a1h h THR 280 N 0.13 1.32 -0.25 -0.54 2.02 -1.05 -3.08 112.91 111.45 2a1h h THR 280 Ca -0.01 -1.58 -0.13 0.00 0.77 0.00 0.00 66.41 65.46 2a1h h THR 280 Cb 1.20 1.69 -0.00 0.00 -1.74 0.00 0.00 68.15 69.29 2a1h h THR 280 CO 0.10 0.48 -0.34 -0.50 0.37 0.00 0.00 175.52 175.62 2a1h h TRP 281 N 0.26 0.82 -1.94 3.16 6.55 -1.42 -3.48 115.95 119.90 2a1h h TRP 281 Ca 0.02 -0.27 -0.35 0.00 0.95 0.00 0.00 58.89 59.24 2a1h h TRP 281 Cb 0.86 -0.16 -0.06 0.00 -0.86 0.00 0.00 29.16 28.94 2a1h h TRP 281 CO 0.02 1.02 -0.40 0.41 -1.05 0.00 0.00 178.44 178.44 2a1h n GLY 282 N 0.28 0.32 0.13 1.49 0.00 -1.11 -4.90 105.19 101.39 2a1h n GLY 282 Ca -0.05 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 45.90 2a1h n GLY 282 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2a1h h GLU 283 N 0.00 0.00 -3.78 1.61 5.08 -1.91 -3.48 114.58 112.11 2a1h h GLU 283 Ca -0.39 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.89 2a1h h GLU 283 Cb 1.25 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.40 2a1h h GLU 283 CO 0.50 0.07 -0.19 -0.59 -1.00 0.00 0.00 179.01 177.79 2a1h s PHE 284 N -3.25 0.46 0.18 4.33 -0.71 -1.26 -5.08 117.98 112.64 2a1h s PHE 284 Ca 0.01 -0.81 -0.30 0.00 -1.04 0.00 0.00 56.93 54.79 2a1h s PHE 284 Cb 0.08 0.09 -0.08 0.00 -1.21 0.00 0.00 43.02 41.91 2a1h s PHE 284 CO 0.77 -0.94 1.11 0.50 -1.34 0.00 0.00 175.22 175.32 2a1h s ARG 285 N -4.03 4.58 -0.20 1.99 3.52 -0.99 -4.93 118.95 118.88 2a1h s ARG 285 Ca 0.24 1.74 0.02 0.00 -0.13 0.00 0.00 55.73 57.60 2a1h s ARG 285 Cb 0.00 -3.27 0.03 0.00 -1.56 0.00 0.00 34.95 30.15 2a1h s ARG 285 CO 0.09 0.05 -0.16 0.08 -0.81 0.00 0.00 175.30 174.55 2a1h s VAL 286 N -0.21 2.05 0.03 7.11 1.01 -1.26 -1.35 120.40 127.79 2a1h s VAL 286 Ca 0.50 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 61.33 2a1h s VAL 286 Cb -0.30 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 2a1h s VAL 286 CO 0.35 0.34 -0.04 0.54 0.00 0.00 0.00 175.10 176.29 2a1h s VAL 287 N 1.24 0.22 -0.40 2.92 0.11 -0.82 -5.00 120.40 118.68 2a1h s VAL 287 Ca 0.00 -1.20 -0.06 0.00 -2.93 0.00 0.00 61.98 57.79 2a1h s VAL 287 Cb -0.15 -0.68 0.08 0.00 -1.53 0.00 0.00 36.38 34.10 2a1h s VAL 287 CO -0.10 -0.62 0.20 -1.61 -3.33 0.00 0.00 175.10 169.64 2a1h s GLU 288 N -2.18 2.41 0.01 1.54 2.02 -1.26 -2.73 118.70 118.51 2a1h s GLU 288 Ca -0.08 -1.53 -0.11 0.00 0.02 0.00 0.00 54.97 53.27 2a1h s GLU 288 Cb -0.05 -3.63 0.01 0.00 0.10 0.00 0.00 34.13 30.56 2a1h s GLU 288 CO -0.03 -0.93 0.22 0.50 0.02 0.00 0.00 175.26 175.04 2a1h s ARG 289 N 1.32 0.62 0.26 1.61 3.52 -0.62 -4.62 118.95 121.03 2a1h s ARG 289 Ca 0.03 -0.40 -0.30 0.00 -0.13 0.00 0.00 55.73 54.93 2a1h s ARG 289 Cb -0.22 0.27 -0.10 0.00 -1.56 0.00 0.00 34.95 33.33 2a1h s ARG 289 CO -0.00 -0.17 1.49 0.99 -0.81 0.00 0.00 175.30 176.80 2a1h s THR 290 N -1.76 2.50 -0.15 4.11 2.01 -1.26 -3.70 115.64 117.38 2a1h s THR 290 Ca -0.11 0.42 0.01 0.00 0.31 0.00 0.00 61.69 62.31 2a1h s THR 290 Cb -0.05 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.20 2a1h s THR 290 CO 0.01 0.06 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.20 2a1h s ILE 291 N 0.05 2.43 0.29 1.82 1.01 -1.26 -5.02 121.20 120.52 2a1h s ILE 291 Ca 0.61 -0.85 0.08 0.00 0.00 0.00 0.00 60.65 60.49 2a1h s ILE 291 Cb -0.44 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 2a1h s ILE 291 CO 0.44 0.53 0.16 0.42 0.00 0.00 0.00 174.94 176.49 2a1h s THR 292 N 0.87 3.79 0.33 2.92 -4.23 -1.26 -0.38 115.64 117.68 2a1h s THR 292 Ca -0.05 -1.56 0.05 0.00 -1.18 0.00 0.00 61.69 58.94 2a1h s THR 292 Cb -0.15 -3.16 0.14 0.00 1.34 0.00 0.00 72.50 70.67 2a1h s THR 292 CO -0.02 -0.29 1.84 0.24 -0.54 0.00 0.00 174.62 175.85 2a1h h MET 293 N 1.54 0.48 -0.43 3.99 2.86 -1.44 -1.81 114.93 120.12 2a1h h MET 293 Ca -0.46 -0.12 -0.09 0.00 -2.06 0.00 0.00 59.70 56.97 2a1h h MET 293 Cb 1.25 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.83 2a1h h MET 293 CO 0.61 0.56 -0.12 0.87 1.06 0.00 0.00 176.91 179.89 2a1h h LYS 294 N 0.45 0.78 -0.47 1.72 1.79 -1.85 0.12 116.57 119.10 2a1h h LYS 294 Ca 0.09 -0.26 -0.10 0.00 -2.18 0.00 0.00 60.65 58.20 2a1h h LYS 294 Cb 0.42 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 2a1h h LYS 294 CO 0.02 0.86 -0.10 1.96 -1.08 0.00 0.00 179.45 181.11 2a1h h GLN 295 N 0.70 0.89 -0.41 3.15 4.20 -1.87 -1.74 115.11 120.03 2a1h h GLN 295 Ca 0.12 -0.34 -0.13 0.00 0.06 0.00 0.00 58.65 58.36 2a1h h GLN 295 Cb 0.60 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 2a1h h GLN 295 CO 0.04 0.98 -0.25 1.25 -0.67 0.00 0.00 178.83 180.18 2a1h h LEU 296 N 0.73 0.93 -0.76 1.46 5.85 -1.03 -2.10 115.31 120.40 2a1h h LEU 296 Ca 0.12 -0.42 -0.04 0.00 0.84 0.00 0.00 57.88 58.38 2a1h h LEU 296 Cb 0.65 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2a1h h LEU 296 CO 0.04 1.15 0.33 -0.07 -0.34 0.00 0.00 178.44 179.56 2a1h h LEU 297 N 0.72 1.02 -0.61 2.25 3.38 -0.64 -0.88 115.31 120.55 2a1h h LEU 297 Ca 0.09 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 2a1h h LEU 297 Cb 0.82 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2a1h h LEU 297 CO 0.07 0.89 -0.45 -0.09 0.09 0.00 0.00 178.44 178.95 2a1h h ARG 298 N 1.08 0.57 -0.17 1.13 2.43 -1.28 -2.80 114.38 115.34 2a1h h ARG 298 Ca 0.26 -0.31 -0.16 0.00 -0.81 0.00 0.00 59.98 58.95 2a1h h ARG 298 Cb 0.17 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2a1h h ARG 298 CO -0.03 0.91 -0.57 0.00 -1.51 0.00 0.00 179.97 178.77 2a1h h ALA 299 N 1.04 0.70 -0.24 2.80 0.00 -1.07 -2.79 119.26 119.71 2a1h h ALA 299 Ca 0.03 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 2a1h h ALA 299 Cb 0.97 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2a1h h ALA 299 CO 0.09 0.70 -0.02 -0.07 0.00 0.00 0.00 179.25 179.94 2a1h h LEU 300 N 0.39 0.44 -1.23 0.00 3.38 -1.10 0.12 115.31 117.31 2a1h h LEU 300 Ca 0.00 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 2a1h h LEU 300 Cb 1.11 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2a1h h LEU 300 CO 0.10 0.66 -0.18 1.05 0.09 0.00 0.00 178.44 180.16 2a1h h GLU 301 N 0.20 0.00 -0.04 1.13 4.11 -1.54 -2.43 114.58 116.01 2a1h h GLU 301 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 2a1h h GLU 301 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2a1h h GLU 301 CO 0.02 0.18 0.00 0.39 0.07 0.00 0.00 179.01 179.67 2a1h n GLU 302 N -3.37 1.85 -2.00 1.06 1.02 -1.05 -4.96 120.64 113.19 2a1h n GLU 302 Ca 0.00 -1.23 -0.15 0.00 -0.02 0.00 0.00 57.16 55.76 2a1h n GLU 302 Cb 0.40 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 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 1.22 0.35 0.10 0.62 0.00 -0.79 -4.93 105.19 101.76 2a1h n GLY 303 Ca 0.18 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 46.03 2a1h n GLY 303 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2a1h h ARG 304 N 0.00 0.00 -6.29 1.61 3.08 -1.04 -3.46 114.38 108.28 2a1h h ARG 304 Ca -0.34 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.16 2a1h h ARG 304 Cb 1.16 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 2a1h h ARG 304 CO 0.43 0.00 0.35 0.08 -1.07 0.00 0.00 179.97 179.76 2a1h s VAL 305 N -3.27 4.89 -0.16 2.04 1.01 -1.23 -1.58 120.40 122.10 2a1h s VAL 305 Ca 0.03 1.92 -0.14 0.00 0.00 0.00 0.00 61.98 63.79 2a1h s VAL 305 Cb 0.11 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 2a1h s VAL 305 CO 0.75 0.14 -0.29 0.54 0.00 0.00 0.00 175.10 176.24 2a1h n ARG 306 N 4.15 0.45 -3.89 2.72 1.74 -0.22 -4.74 116.66 116.87 2a1h n ARG 306 Ca 0.05 0.18 -0.11 0.00 -0.77 0.00 0.00 57.85 57.20 2a1h n ARG 306 Cb 0.51 -1.28 -0.13 0.00 -1.02 0.00 0.00 32.46 30.53 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 -2.67 0.14 -0.05 5.56 2.02 -0.63 -3.26 118.70 119.81 2a1h s GLU 307 Ca -0.26 -0.17 0.02 0.00 0.02 0.00 0.00 54.97 54.58 2a1h s GLU 307 Cb 0.06 0.05 0.01 0.00 0.10 0.00 0.00 34.13 34.35 2a1h s GLU 307 CO 0.37 -0.02 -0.10 0.08 0.02 0.00 0.00 175.26 175.61 2a1h s VAL 308 N -0.48 0.93 0.11 2.63 1.01 -1.26 0.33 120.40 123.66 2a1h s VAL 308 Ca -0.05 -0.39 -0.16 0.00 0.00 0.00 0.00 61.98 61.38 2a1h s VAL 308 Cb -0.03 -0.85 0.03 0.00 0.00 0.00 0.00 36.38 35.53 2a1h s VAL 308 CO -0.00 0.30 0.40 0.72 0.00 0.00 0.00 175.10 176.52 2a1h s PHE 309 N 0.51 -0.21 0.15 5.22 -0.71 -0.44 -1.75 117.98 120.75 2a1h s PHE 309 Ca -0.10 -0.07 0.03 0.00 -1.04 0.00 0.00 56.93 55.75 2a1h s PHE 309 Cb -0.13 0.25 -0.04 0.00 -1.21 0.00 0.00 43.02 41.89 2a1h s PHE 309 CO 0.02 -0.68 0.27 0.20 -1.34 0.00 0.00 175.22 173.69 2a1h s GLY 310 N -2.69 1.71 0.00 1.99 0.00 0.52 -0.42 107.32 108.44 2a1h s GLY 310 Ca 0.02 -1.05 0.02 0.00 0.00 0.00 0.00 44.72 43.71 2a1h s GLY 310 CO -0.11 -1.05 -0.06 -1.35 0.00 0.00 0.00 173.10 170.54 2a1h s SER 311 N -3.21 0.64 0.00 1.64 1.04 0.25 -0.41 113.70 113.66 2a1h s SER 311 Ca 0.34 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.63 2a1h s SER 311 Cb -0.11 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.95 2a1h s SER 311 CO 0.28 0.04 0.00 0.61 0.98 0.00 0.00 173.24 175.15 2a1h n GLY 312 N 2.79 0.78 0.29 7.32 0.00 -1.13 -1.01 105.19 114.23 2a1h n GLY 312 Ca -0.14 -0.76 -0.02 0.00 0.00 0.00 0.00 46.02 45.10 2a1h n GLY 312 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2a1h h THR 313 N 0.14 1.07 -0.48 2.61 2.02 -1.91 0.37 112.91 116.73 2a1h h THR 313 Ca 0.00 -0.31 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 2a1h h THR 313 Cb 0.00 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.48 2a1h h THR 313 CO 0.00 0.17 0.16 0.00 0.37 0.00 0.00 175.52 176.22 2a1h h ALA 314 N 1.34 0.63 0.00 6.16 0.00 -1.96 -3.33 119.26 122.09 2a1h h ALA 314 Ca 0.32 -0.17 -0.28 0.00 0.00 0.00 0.00 54.91 54.78 2a1h h ALA 314 Cb 0.07 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 2a1h h ALA 314 CO -0.13 0.27 -2.22 0.00 0.00 0.00 0.00 179.25 177.16 2a1h n GLN 316 N -2.60 0.00 -3.71 0.00 -0.06 0.13 -4.60 117.38 106.53 2a1h n GLN 316 Ca -0.25 0.00 -0.24 0.00 -2.00 0.00 0.00 57.00 54.50 2a1h n GLN 316 Cb 1.00 0.00 -0.17 0.00 -4.06 0.00 0.00 30.24 27.01 2a1h n GLN 316 CO 0.00 0.00 0.00 0.14 -0.20 0.00 0.00 177.06 177.00 2a1h s VAL 317 N 0.00 0.24 -0.30 1.69 -7.23 -1.26 -2.85 120.40 110.69 2a1h s VAL 317 Ca 0.00 -0.06 -0.05 0.00 -1.81 0.00 0.00 61.98 60.07 2a1h s VAL 317 Cb 0.00 -0.61 0.03 0.00 0.56 0.00 0.00 36.38 36.36 2a1h s VAL 317 CO 0.00 0.02 0.04 0.00 -0.31 0.00 0.00 175.10 174.85 2a1h s PRO 319 N 1.38 3.19 -0.11 0.00 0.02 -1.26 -0.36 135.00 137.86 2a1h s PRO 319 Ca -0.01 1.70 0.03 0.00 0.02 0.00 0.00 61.00 62.74 2a1h s PRO 319 Cb -0.18 -1.97 0.01 0.00 0.02 0.00 0.00 34.50 32.37 2a1h s PRO 319 CO 0.00 -1.00 -0.20 0.08 -0.33 0.00 0.00 177.00 175.56 2a1h s VAL 320 N -1.70 1.82 -0.17 3.83 1.01 -0.72 -2.01 120.40 122.47 2a1h s VAL 320 Ca 0.75 -0.85 0.10 0.00 0.00 0.00 0.00 61.98 61.98 2a1h s VAL 320 Cb -0.27 -1.62 -0.14 0.00 0.00 0.00 0.00 36.38 34.36 2a1h s VAL 320 CO 0.30 0.50 0.29 0.00 0.00 0.00 0.00 175.10 176.19 2a1h n HIS 321 N 3.95 0.00 -3.76 5.22 1.44 -0.86 -4.38 115.22 116.83 2a1h n HIS 321 Ca -0.20 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.38 2a1h n HIS 321 Cb 0.52 -0.16 -0.10 0.00 0.12 0.00 0.00 29.99 30.37 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 -2.45 0.51 -0.09 -1.40 3.52 -1.24 -1.25 118.95 116.54 2a1h s ARG 322 Ca -0.01 0.20 -0.01 0.00 -0.13 0.00 0.00 55.73 55.78 2a1h s ARG 322 Cb 0.07 0.24 0.03 0.00 -1.56 0.00 0.00 34.95 33.72 2a1h s ARG 322 CO 0.42 -0.10 -0.02 0.42 -0.81 0.00 0.00 175.30 175.21 2a1h s ILE 323 N -0.44 0.61 -0.48 4.11 1.01 -0.68 -0.79 121.20 124.54 2a1h s ILE 323 Ca -0.06 -0.06 -0.20 0.00 0.00 0.00 0.00 60.65 60.33 2a1h s ILE 323 Cb -0.04 -0.74 0.04 0.00 0.01 0.00 0.00 42.46 41.73 2a1h s ILE 323 CO 0.02 0.27 0.66 -0.22 0.00 0.00 0.00 174.94 175.67 2a1h s LEU 324 N 1.87 4.66 -0.05 2.97 2.96 0.73 -0.76 118.68 131.06 2a1h s LEU 324 Ca 0.05 -0.59 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 2a1h s LEU 324 Cb -0.13 -2.61 0.02 0.00 0.50 0.00 0.00 46.19 43.97 2a1h s LEU 324 CO -0.06 -0.87 -0.07 -0.47 -1.32 0.00 0.00 176.35 173.56 2a1h s TYR 325 N 2.84 0.98 -1.53 5.38 6.14 -0.20 -0.89 117.35 130.07 2a1h s TYR 325 Ca 0.20 -0.32 -0.12 0.00 0.64 0.00 0.00 57.07 57.47 2a1h s TYR 325 Cb -0.16 -0.80 0.08 0.00 0.42 0.00 0.00 41.96 41.50 2a1h s TYR 325 CO 0.16 -0.22 0.90 1.63 0.64 0.00 0.00 175.55 178.66 2a1h n LYS 326 N 3.99 -5.04 -1.19 4.97 5.02 -1.26 -1.36 118.16 123.29 2a1h n LYS 326 Ca -0.24 0.56 -0.07 0.00 -2.02 0.00 0.00 58.31 56.54 2a1h n LYS 326 Cb 0.51 -5.36 -0.03 0.00 -0.02 0.00 0.00 35.03 30.13 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 -2.84 -4.96 -4.34 4.39 9.92 -1.26 -4.99 116.55 112.47 2a1h n ASP 327 Ca -0.00 0.16 -0.31 0.00 -0.53 0.00 0.00 54.79 54.11 2a1h n ASP 327 Cb 0.54 -3.04 -0.15 0.00 -0.64 0.00 0.00 41.12 37.83 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 -2.23 2.01 -0.24 -1.24 0.52 -0.46 -5.12 118.95 112.18 2a1h s ARG 328 Ca 0.00 -0.99 -0.18 0.00 -0.52 0.00 0.00 55.73 54.04 2a1h s ARG 328 Cb 0.00 -2.04 -0.03 0.00 0.52 0.00 0.00 34.95 33.40 2a1h s ARG 328 CO 0.00 0.54 0.53 -0.80 0.02 0.00 0.00 175.30 175.59 2a1h s ASN 329 N -0.90 6.48 -0.29 0.23 0.01 -1.26 -1.03 114.94 118.19 2a1h s ASN 329 Ca 0.11 0.58 -0.10 0.00 -0.71 0.00 0.00 52.86 52.75 2a1h s ASN 329 Cb -0.10 -2.29 -0.03 0.00 0.41 0.00 0.00 41.25 39.24 2a1h s ASN 329 CO 0.01 -0.27 0.15 -0.76 -1.51 0.00 0.00 177.10 174.72 2a1h s LEU 330 N 2.16 3.94 -0.15 0.60 1.43 0.06 -4.98 118.68 121.73 2a1h s LEU 330 Ca 0.23 -0.23 -0.25 0.00 -1.03 0.00 0.00 54.13 52.85 2a1h s LEU 330 Cb -0.16 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 2a1h s LEU 330 CO 0.09 -0.10 0.82 -2.28 0.23 0.00 0.00 176.35 175.11 2a1h s HIS 331 N 1.68 3.44 -0.29 0.29 5.65 -1.26 -1.68 115.29 123.12 2a1h s HIS 331 Ca 0.06 1.26 -0.09 0.00 0.25 0.00 0.00 55.06 56.54 2a1h s HIS 331 Cb -0.16 -2.99 -0.02 0.00 -1.18 0.00 0.00 32.58 28.23 2a1h s HIS 331 CO 0.08 -0.20 0.14 0.42 -0.65 0.00 0.00 174.74 174.53 2a1h s ILE 332 N 1.97 4.62 0.00 0.89 -1.09 -0.38 -4.99 121.20 122.22 2a1h s ILE 332 Ca 0.38 -0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.53 2a1h s ILE 332 Cb -0.17 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.43 2a1h s ILE 332 CO 0.13 0.16 0.71 -0.81 -1.23 0.00 0.00 174.94 173.91 2a1h n PRO 333 N 4.98 0.68 -0.04 2.79 -0.04 -1.26 -4.49 135.00 137.62 2a1h n PRO 333 Ca -0.14 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.23 2a1h n PRO 333 Cb 0.50 -1.16 -0.02 0.00 -0.04 0.00 0.00 33.50 32.78 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 0.36 0.53 -0.35 0.52 2.02 -1.75 -2.73 112.91 111.51 2a1h h THR 334 Ca 0.00 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 2a1h h THR 334 Cb 0.68 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 2a1h h THR 334 CO 0.00 0.00 -0.35 0.24 0.37 0.00 0.00 175.52 175.78 2a1h h MET 335 N -0.18 0.80 0.00 6.66 2.86 -1.86 -2.90 114.93 120.31 2a1h h MET 335 Ca 0.13 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 2a1h h MET 335 Cb 0.37 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2a1h h MET 335 CO -0.32 1.02 0.00 1.05 1.06 0.00 0.00 176.91 179.72 2a1h h GLU 336 N 0.66 0.00 -0.63 1.72 9.09 -1.89 -2.32 114.58 121.21 2a1h h GLU 336 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.47 2a1h h GLU 336 Cb 0.90 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.00 2a1h h GLU 336 CO 0.08 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.23 2a1h n ASN 337 N -2.44 3.00 0.00 3.06 3.02 -1.04 -4.95 115.26 115.90 2a1h n ASN 337 Ca 0.02 -2.31 0.00 0.00 -0.03 0.00 0.00 54.58 52.27 2a1h n ASN 337 Cb 0.28 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 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 0.64 2.06 3.55 7.41 0.00 -0.87 -1.64 105.19 116.35 2a1h n GLY 338 Ca 0.14 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 2a1h n GLY 338 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2a1h s PRO 339 N 0.00 3.21 0.19 1.61 0.02 -1.25 -4.89 135.00 133.89 2a1h s PRO 339 Ca 0.00 -0.22 -0.21 0.00 0.02 0.00 0.00 61.00 60.59 2a1h s PRO 339 Cb 0.00 -4.17 0.13 0.00 0.02 0.00 0.00 34.50 30.48 2a1h s PRO 339 CO 0.00 -2.13 1.57 1.49 -0.33 0.00 0.00 177.00 177.61 2a1h h GLU 340 N 10.01 -0.13 -0.28 5.54 4.81 -1.60 -0.12 114.58 132.81 2a1h h GLU 340 Ca -0.28 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 58.83 2a1h h GLU 340 Cb 1.05 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 2a1h h GLU 340 CO 1.28 -0.09 -0.35 1.25 -0.73 0.00 0.00 179.01 180.37 2a1h h LEU 341 N -0.14 0.78 -0.49 1.64 5.85 -1.98 -2.29 115.31 118.70 2a1h h LEU 341 Ca 0.25 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.47 2a1h h LEU 341 Cb 0.56 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2a1h h LEU 341 CO -0.76 1.12 0.31 0.40 -0.34 0.00 0.00 178.44 179.18 2a1h h ILE 342 N 0.46 1.14 -0.37 4.05 2.04 -1.90 0.01 117.51 122.94 2a1h h ILE 342 Ca 0.03 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.56 2a1h h ILE 342 Cb 0.93 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 2a1h h ILE 342 CO 0.08 0.13 -0.04 -0.07 0.00 0.00 0.00 178.15 178.25 2a1h h LEU 343 N 0.66 0.58 -0.33 1.44 3.38 -1.03 0.13 115.31 120.14 2a1h h LEU 343 Ca 0.18 -0.13 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 2a1h h LEU 343 Cb -0.05 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 2a1h h LEU 343 CO -0.04 0.68 -0.45 -0.09 0.09 0.00 0.00 178.44 178.64 2a1h h ARG 344 N 0.57 0.89 -0.30 1.13 2.43 -0.97 -0.92 114.38 117.21 2a1h h ARG 344 Ca 0.11 -0.51 -0.06 0.00 -0.81 0.00 0.00 59.98 58.71 2a1h h ARG 344 Cb 0.43 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2a1h h ARG 344 CO 0.02 1.15 -0.05 0.74 -1.51 0.00 0.00 179.97 180.33 2a1h h PHE 345 N 0.68 0.63 -0.46 2.20 0.05 -0.71 -2.08 116.94 117.24 2a1h h PHE 345 Ca 0.04 -0.13 0.00 0.00 3.82 0.00 0.00 57.97 61.70 2a1h h PHE 345 Cb 1.05 -0.16 -0.02 0.00 2.00 0.00 0.00 35.95 38.82 2a1h h PHE 345 CO 0.07 0.74 0.29 0.37 -0.18 0.00 0.00 178.31 179.60 2a1h h GLN 346 N 0.34 0.62 -0.19 1.51 4.15 -0.66 -1.14 115.11 119.74 2a1h h GLN 346 Ca 0.08 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.42 2a1h h GLN 346 Cb 0.52 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 2a1h h GLN 346 CO 0.02 0.44 0.01 -0.22 -1.93 0.00 0.00 178.83 177.15 2a1h h LYS 347 N 0.62 0.34 -0.56 1.69 3.64 -1.14 -0.22 116.57 120.93 2a1h h LYS 347 Ca 0.17 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 2a1h h LYS 347 Cb -0.03 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 2a1h h LYS 347 CO -0.03 0.53 0.08 1.49 -2.27 0.00 0.00 179.45 179.24 2a1h h GLU 348 N 0.10 0.95 -0.60 1.90 4.57 -1.28 -1.06 114.58 119.15 2a1h h GLU 348 Ca 0.06 -0.26 -0.10 0.00 -1.18 0.00 0.00 59.36 57.87 2a1h h GLU 348 Cb 0.37 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 2a1h h GLU 348 CO 0.01 0.91 -0.02 -0.07 -1.18 0.00 0.00 179.01 178.67 2a1h h LEU 349 N 0.84 1.06 -0.45 1.64 3.38 -1.15 -2.05 115.31 118.58 2a1h h LEU 349 Ca 0.17 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2a1h h LEU 349 Cb 0.44 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2a1h h LEU 349 CO 0.01 1.11 0.21 0.50 0.09 0.00 0.00 178.44 180.36 2a1h h LYS 350 N 0.97 0.65 -0.21 1.13 3.64 -0.81 0.48 116.57 122.42 2a1h h LYS 350 Ca 0.17 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 2a1h h LYS 350 Cb 0.58 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2a1h h LYS 350 CO 0.03 0.57 -0.21 0.93 -2.27 0.00 0.00 179.45 178.50 2a1h h GLU 351 N 0.58 0.38 0.00 1.90 5.08 -1.03 -1.60 114.58 119.89 2a1h h GLU 351 Ca 0.15 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2a1h h GLU 351 Cb 0.14 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2a1h h GLU 351 CO -0.02 0.58 -0.08 0.82 -1.00 0.00 0.00 179.01 179.31 2a1h h ILE 352 N 0.35 1.62 -0.53 3.13 2.04 -1.10 0.20 117.51 123.21 2a1h h ILE 352 Ca 0.06 -1.93 -0.02 0.00 1.00 0.00 0.00 64.86 63.97 2a1h h ILE 352 Cb 0.56 2.90 -0.03 0.00 -0.74 0.00 0.00 36.82 39.52 2a1h h ILE 352 CO 0.04 0.51 0.25 1.56 0.00 0.00 0.00 178.15 180.51 2a1h h GLN 353 N -0.72 0.75 -0.63 2.37 4.20 -0.81 -2.58 115.11 117.69 2a1h h GLN 353 Ca -0.01 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2a1h h GLN 353 Cb 0.88 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.51 2a1h h GLN 353 CO 0.02 0.59 0.00 0.66 -0.67 0.00 0.00 178.83 179.42 2a1h n TYR 354 N -4.37 1.25 -1.11 2.96 4.02 -0.61 -4.69 117.16 114.61 2a1h n TYR 354 Ca 0.04 -0.50 -0.04 0.00 -0.01 0.00 0.00 57.90 57.40 2a1h n TYR 354 Cb 0.13 -0.21 -0.02 0.00 -0.02 0.00 0.00 39.34 39.22 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 1.01 0.58 0.15 2.72 0.00 -0.97 -4.38 105.19 104.30 2a1h n GLY 355 Ca 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 1.40 -3.25 -0.61 2.04 -1.28 -3.41 117.51 112.40 2a1h h ILE 356 Ca -0.08 -1.95 -0.59 0.00 1.00 0.00 0.00 64.86 63.24 2a1h h ILE 356 Cb 0.57 2.03 -0.35 0.00 -0.74 0.00 0.00 36.82 38.33 2a1h h ILE 356 CO 0.11 0.56 -0.84 -0.60 0.00 0.00 0.00 178.15 177.39 2a1h s ARG 357 N -3.75 2.25 0.32 2.37 3.52 -0.25 -5.01 118.95 118.41 2a1h s ARG 357 Ca -0.02 -0.57 -0.28 0.00 -0.13 0.00 0.00 55.73 54.72 2a1h s ARG 357 Cb 0.13 -1.93 -0.10 0.00 -1.56 0.00 0.00 34.95 31.50 2a1h s ARG 357 CO 0.77 -0.08 1.19 0.00 -0.81 0.00 0.00 175.30 176.37 2a1h s ALA 358 N 1.02 3.39 -0.17 6.12 0.00 -1.26 -4.36 121.76 126.49 2a1h s ALA 358 Ca -0.06 1.04 -0.27 0.00 0.00 0.00 0.00 51.96 52.68 2a1h s ALA 358 Cb -0.15 -3.39 0.07 0.00 0.00 0.00 0.00 23.12 19.65 2a1h s ALA 358 CO -0.02 -0.40 0.68 -1.58 0.00 0.00 0.00 175.76 174.44 2a1h s HIS 359 N -1.21 -0.71 -0.10 0.00 2.46 -1.26 -5.03 115.29 109.44 2a1h s HIS 359 Ca 0.49 1.55 0.29 0.00 0.47 0.00 0.00 55.06 57.85 2a1h s HIS 359 Cb -0.34 0.32 1.35 0.00 -0.13 0.00 0.00 32.58 33.77 2a1h s HIS 359 CO 0.45 -0.46 1.87 1.05 -2.47 0.00 0.00 174.74 175.17 2a1h h GLU 360 N 4.20 0.00 0.00 2.88 4.11 -2.01 -2.41 114.58 121.35 2a1h h GLU 360 Ca -0.28 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.10 2a1h h GLU 360 Cb 1.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2a1h h GLU 360 CO 0.20 0.00 -0.21 -1.49 0.07 0.00 0.00 179.01 177.58 2a1h h TRP 361 N 0.00 0.00 -3.28 2.06 6.55 -1.96 -3.44 115.95 115.88 2a1h h TRP 361 Ca 0.00 0.00 -0.57 0.00 0.95 0.00 0.00 58.89 59.27 2a1h h TRP 361 Cb 0.26 0.00 -0.05 0.00 -0.86 0.00 0.00 29.16 28.50 2a1h h TRP 361 CO 0.00 0.21 -0.04 -1.64 -1.05 0.00 0.00 178.44 175.92 2a1h s MET 362 N -3.97 4.28 -0.26 0.49 -1.94 -0.91 -0.85 119.30 116.14 2a1h s MET 362 Ca -0.02 0.69 -0.03 0.00 -1.71 0.00 0.00 55.69 54.63 2a1h s MET 362 Cb 0.12 -3.33 0.02 0.00 2.01 0.00 0.00 34.83 33.65 2a1h s MET 362 CO 0.63 0.40 -0.02 0.12 -0.01 0.00 0.00 175.02 176.14 2a1h s PHE 363 N -0.28 3.10 0.31 -0.03 5.36 -0.18 -4.95 117.98 121.31 2a1h s PHE 363 Ca 0.30 -1.43 -0.29 0.00 -0.96 0.00 0.00 56.93 54.55 2a1h s PHE 363 Cb -0.18 -2.11 -0.10 0.00 -0.34 0.00 0.00 43.02 40.29 2a1h s PHE 363 CO 0.17 -0.70 1.21 -2.14 -1.46 0.00 0.00 175.22 172.30 2a1h s PRO 364 N 1.36 4.48 0.00 10.12 0.02 -1.26 -0.35 135.00 149.38 2a1h s PRO 364 Ca 0.00 2.03 0.25 0.00 0.02 0.00 0.00 61.00 63.30 2a1h s PRO 364 Cb -0.17 -3.13 0.35 0.00 0.02 0.00 0.00 34.50 31.58 2a1h s PRO 364 CO -0.02 -0.01 1.35 0.28 -0.33 0.00 0.00 177.00 178.27