#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m3h n SER -2 N 0.00 0.00 -0.34 1.08 3.41 -1.26 -2.22 113.62 114.30 3m3h n SER -2 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.76 3m3h n SER -2 Cb 0.00 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.32 3m3h n SER -2 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3m3h h ASN -1 N 0.79 0.70 -0.23 4.04 2.35 -1.99 0.56 115.58 121.81 3m3h h ASN -1 Ca 0.00 0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3m3h h ASN -1 Cb 0.00 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3m3h h ASN -1 CO 0.00 0.23 0.10 0.00 -1.65 0.00 0.00 177.43 176.11 3m3h h ALA 0 N 1.65 0.29 -0.50 -0.83 0.00 -1.89 -1.76 119.26 116.23 3m3h h ALA 0 Ca 0.58 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 3m3h h ALA 0 Cb 1.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3m3h h ALA 0 CO -0.36 -0.13 0.21 1.98 0.00 0.00 0.00 179.25 180.95 3m3h h MET 1 N 0.23 0.74 -0.90 0.00 1.85 -0.77 -0.84 114.93 115.23 3m3h h MET 1 Ca 0.08 -0.13 0.01 0.00 -0.61 0.00 0.00 59.70 59.06 3m3h h MET 1 Cb 0.14 -0.12 -0.05 0.00 0.43 0.00 0.00 31.60 32.00 3m3h h MET 1 CO -0.01 0.64 0.60 0.87 -0.40 0.00 0.00 176.91 178.61 3m3h h LYS 2 N 0.66 1.17 -0.09 0.39 1.57 -0.81 0.68 116.57 120.15 3m3h h LYS 2 Ca 0.17 -0.07 -0.23 0.00 -1.87 0.00 0.00 60.65 58.65 3m3h h LYS 2 Cb 0.17 -0.26 0.01 0.00 0.08 0.00 0.00 32.23 32.22 3m3h h LYS 2 CO -0.02 0.78 -0.85 0.87 -0.57 0.00 0.00 179.45 179.66 3m3h h LYS 3 N 1.21 0.65 -0.41 3.15 1.57 -1.11 -1.56 116.57 120.07 3m3h h LYS 3 Ca 0.34 -0.59 -0.03 0.00 -1.87 0.00 0.00 60.65 58.50 3m3h h LYS 3 Cb -0.12 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3m3h h LYS 3 CO -0.08 1.20 0.13 0.93 -0.57 0.00 0.00 179.45 181.06 3m3h h GLU 4 N 0.42 0.64 -0.40 3.15 4.39 -0.88 -0.52 114.58 121.38 3m3h h GLU 4 Ca -0.07 -0.14 -0.07 0.00 0.34 0.00 0.00 59.36 59.42 3m3h h GLU 4 Cb 1.47 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 30.02 3m3h h GLU 4 CO 0.16 0.63 -0.03 0.82 -1.16 0.00 0.00 179.01 179.43 3m3h h ILE 5 N 0.52 1.27 -0.85 3.13 1.08 -0.90 -2.12 117.51 119.63 3m3h h ILE 5 Ca 0.13 -1.08 0.06 0.00 -0.39 0.00 0.00 64.86 63.58 3m3h h ILE 5 Cb 0.26 1.15 -0.06 0.00 -3.07 0.00 0.00 36.82 35.10 3m3h h ILE 5 CO -0.00 0.36 0.53 0.00 -0.69 0.00 0.00 178.15 178.35 3m3h h ALA 6 N 0.87 1.17 -0.19 1.87 0.00 -1.07 -0.25 119.26 121.66 3m3h h ALA 6 Ca 0.11 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3m3h h ALA 6 Cb 0.53 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3m3h h ALA 6 CO 0.03 0.28 0.02 0.77 0.00 0.00 0.00 179.25 180.35 3m3h h SER 7 N 0.98 -0.03 -0.50 0.00 0.02 -0.81 -1.26 113.55 111.93 3m3h h SER 7 Ca 0.37 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.35 3m3h h SER 7 Cb 0.15 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 3m3h h SER 7 CO -0.17 0.01 0.30 0.45 -1.14 0.00 0.00 176.83 176.28 3m3h h HIS 8 N 0.09 0.67 -0.87 3.45 -0.00 -0.82 0.04 115.15 117.71 3m3h h HIS 8 Ca 0.09 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.45 3m3h h HIS 8 Cb 0.10 -0.22 -0.04 0.00 -0.00 0.00 0.00 27.41 27.25 3m3h h HIS 8 CO -0.16 0.48 0.52 -0.07 -0.00 0.00 0.00 177.93 178.70 3m3h h LEU 9 N 0.67 1.05 -0.23 2.43 3.38 -0.70 -0.36 115.31 121.55 3m3h h LEU 9 Ca 0.18 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3m3h h LEU 9 Cb 0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3m3h h LEU 9 CO -0.03 0.81 0.01 -0.07 0.09 0.00 0.00 178.44 179.25 3m3h h LEU 10 N 1.19 0.39 -1.06 1.67 3.38 -1.02 -0.11 115.31 119.75 3m3h h LEU 10 Ca 0.31 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3m3h h LEU 10 Cb -0.04 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3m3h h LEU 10 CO -0.06 0.58 0.64 -0.33 0.09 0.00 0.00 178.44 179.36 3m3h h GLU 11 N 0.18 1.25 -0.01 1.13 5.08 -0.48 -2.50 114.58 119.23 3m3h h GLU 11 Ca 0.07 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3m3h h GLU 11 Cb 0.37 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3m3h h GLU 11 CO 0.01 0.82 -0.16 0.44 -1.00 0.00 0.00 179.01 179.12 3m3h n ILE 12 N -4.40 0.00 -1.11 3.13 -5.35 -0.19 -4.94 119.36 106.49 3m3h n ILE 12 Ca 0.12 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 3m3h n ILE 12 Cb 0.04 0.41 0.00 0.00 -1.74 0.00 0.00 39.64 38.35 3m3h n ILE 12 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3m3h n GLY 13 N 1.28 0.40 0.18 3.28 0.00 -0.94 -4.95 105.19 104.45 3m3h n GLY 13 Ca 0.15 -1.03 0.12 0.00 0.00 0.00 0.00 46.02 45.26 3m3h n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m3h h ALA 14 N 0.00 0.94 -3.53 4.61 0.00 -1.28 -3.43 119.26 116.56 3m3h h ALA 14 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.47 3m3h h ALA 14 Cb 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 17.60 3m3h h ALA 14 CO 0.00 0.00 -0.79 0.08 0.00 0.00 0.00 179.25 178.54 3m3h s VAL 15 N -3.20 0.73 0.07 0.00 1.01 -1.12 -0.28 120.40 117.60 3m3h s VAL 15 Ca 0.07 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 61.86 3m3h s VAL 15 Cb 0.07 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 3m3h s VAL 15 CO 0.67 0.26 -0.15 -0.36 0.00 0.00 0.00 175.10 175.51 3m3h s PHE 16 N 0.67 2.63 -0.06 5.22 0.08 0.19 -4.54 117.98 122.16 3m3h s PHE 16 Ca -0.10 -0.21 0.03 0.00 0.12 0.00 0.00 56.93 56.76 3m3h s PHE 16 Cb -0.13 -1.45 0.01 0.00 -0.57 0.00 0.00 43.02 40.88 3m3h s PHE 16 CO 0.01 0.33 -0.13 -0.51 -0.10 0.00 0.00 175.22 174.83 3m3h s LEU 17 N -1.76 1.70 -0.42 -0.37 1.43 -1.26 -1.91 118.68 116.10 3m3h s LEU 17 Ca 0.17 -0.31 0.08 0.00 -1.03 0.00 0.00 54.13 53.05 3m3h s LEU 17 Cb -0.11 -0.84 0.29 0.00 0.03 0.00 0.00 46.19 45.56 3m3h s LEU 17 CO 0.08 0.05 0.74 0.00 0.23 0.00 0.00 176.35 177.46 3m3h n GLN 18 N 3.68 0.84 0.24 1.70 1.13 0.17 -5.00 117.38 120.14 3m3h n GLN 18 Ca -0.22 -2.77 0.09 0.00 -1.94 0.00 0.00 57.00 52.16 3m3h n GLN 18 Cb 0.52 -1.37 0.60 0.00 0.11 0.00 0.00 30.24 30.10 3m3h n GLN 18 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 3m3h h PRO 19 N 3.57 0.00 -0.00 -1.09 0.11 -1.91 -2.56 132.00 130.12 3m3h h PRO 19 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3m3h h PRO 19 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3m3h h PRO 19 CO 0.39 0.17 -0.24 0.09 -0.21 0.00 0.00 178.00 178.20 3m3h n ASN 20 N -3.92 0.55 -3.12 -2.05 5.03 -1.26 -4.40 115.26 106.09 3m3h n ASN 20 Ca -0.02 -0.42 -0.19 0.00 0.87 0.00 0.00 54.58 54.82 3m3h n ASN 20 Cb 0.26 0.02 -0.05 0.00 -1.02 0.00 0.00 39.78 38.99 3m3h n ASN 20 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 3m3h n ASP 21 N -1.11 -1.11 -4.61 6.41 2.03 -0.97 -5.13 116.55 112.06 3m3h n ASP 21 Ca 0.10 -2.71 -0.43 0.00 0.52 0.00 0.00 54.79 52.27 3m3h n ASP 21 Cb 0.32 0.15 -0.01 0.00 -0.72 0.00 0.00 41.12 40.87 3m3h n ASP 21 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3m3h n PRO 22 N 2.17 1.44 -1.88 -0.67 -0.02 -1.18 -4.79 135.00 130.06 3m3h n PRO 22 Ca 0.22 0.51 -0.31 0.00 -2.02 0.00 0.00 63.50 61.89 3m3h n PRO 22 Cb 0.53 -1.96 0.01 0.00 -0.02 0.00 0.00 33.50 32.07 3m3h n PRO 22 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3m3h s PHE 23 N -1.14 3.41 -0.24 6.00 0.08 0.68 -4.84 117.98 121.93 3m3h s PHE 23 Ca 0.60 1.37 -0.01 0.00 0.12 0.00 0.00 56.93 59.01 3m3h s PHE 23 Cb -0.63 -2.80 0.03 0.00 -0.57 0.00 0.00 43.02 39.05 3m3h s PHE 23 CO 0.59 -0.82 -0.08 0.99 -0.10 0.00 0.00 175.22 175.80 3m3h s THR 24 N -3.00 2.72 0.96 0.64 2.01 -1.26 -1.03 115.64 116.68 3m3h s THR 24 Ca 0.57 -1.07 -0.12 0.00 0.31 0.00 0.00 61.69 61.37 3m3h s THR 24 Cb -0.12 -2.38 0.16 0.00 0.01 0.00 0.00 72.50 70.17 3m3h s THR 24 CO 0.49 0.21 1.11 0.26 -0.69 0.00 0.00 174.62 176.01 3m3h s TRP 25 N 1.30 2.29 0.60 4.92 0.51 0.30 -4.87 118.94 123.99 3m3h s TRP 25 Ca -0.00 0.95 0.37 0.00 -2.12 0.00 0.00 56.10 55.30 3m3h s TRP 25 Cb -0.17 -3.31 2.09 0.00 -0.81 0.00 0.00 33.47 31.28 3m3h s TRP 25 CO -0.05 -2.65 2.30 0.66 -0.51 0.00 0.00 176.95 176.70 3m3h h SER 26 N -1.71 0.00 1.60 2.95 4.64 -2.00 0.12 113.55 119.15 3m3h h SER 26 Ca -0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 3m3h h SER 26 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3m3h h SER 26 CO 0.59 0.01 0.00 0.77 -0.87 0.00 0.00 176.83 177.33 3m3h h SER 27 N 0.00 0.00 0.00 4.97 4.64 -2.04 -3.46 113.55 117.66 3m3h h SER 27 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m3h h SER 27 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3m3h h SER 27 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3m3h n GLY 28 N 0.98 0.38 3.75 -0.77 0.00 0.42 -5.08 105.19 104.87 3m3h n GLY 28 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3m3h n GLY 28 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3m3h s MET 29 N -0.84 4.61 0.28 1.61 -2.45 -1.26 -4.67 119.30 116.59 3m3h s MET 29 Ca 0.00 1.76 -0.28 0.00 -1.25 0.00 0.00 55.69 55.92 3m3h s MET 29 Cb 0.00 -3.24 -0.09 0.00 1.25 0.00 0.00 34.83 32.75 3m3h s MET 29 CO 0.00 0.13 0.95 0.15 1.05 0.00 0.00 175.02 177.30 3m3h s LYS 30 N -0.82 4.71 -0.07 4.11 -0.14 -1.26 -0.54 119.74 125.73 3m3h s LYS 30 Ca 0.47 1.42 -0.15 0.00 -1.36 0.00 0.00 55.97 56.36 3m3h s LYS 30 Cb -0.31 -3.03 0.03 0.00 -1.68 0.00 0.00 37.83 32.84 3m3h s LYS 30 CO 0.37 0.38 0.35 0.45 -0.76 0.00 0.00 175.35 176.15 3m3h s SER 31 N -1.39 -0.29 0.00 2.83 0.15 -0.20 -4.93 113.70 109.87 3m3h s SER 31 Ca 0.46 0.39 0.29 0.00 0.70 0.00 0.00 55.95 57.78 3m3h s SER 31 Cb -0.23 0.51 1.24 0.00 -1.71 0.00 0.00 66.02 65.83 3m3h s SER 31 CO 0.28 -0.32 1.86 -0.81 1.20 0.00 0.00 173.24 175.45 3m3h n PRO 32 N 1.92 0.84 -4.02 5.44 -0.04 -1.26 -0.23 135.00 137.65 3m3h n PRO 32 Ca -0.18 -0.31 -0.11 0.00 -0.04 0.00 0.00 63.50 62.86 3m3h n PRO 32 Cb 0.57 -1.49 -0.12 0.00 -0.04 0.00 0.00 33.50 32.42 3m3h n PRO 32 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3m3h s ILE 33 N -2.38 0.30 -0.05 0.52 2.07 -1.26 -0.66 121.20 119.74 3m3h s ILE 33 Ca 0.31 -0.87 -0.04 0.00 -1.41 0.00 0.00 60.65 58.64 3m3h s ILE 33 Cb 0.20 -0.39 0.02 0.00 0.13 0.00 0.00 42.46 42.42 3m3h s ILE 33 CO 0.45 -0.38 0.13 -0.47 -1.91 0.00 0.00 174.94 172.77 3m3h s TYR 34 N -1.24 -0.15 -0.14 3.50 5.04 -0.80 -4.97 117.35 118.59 3m3h s TYR 34 Ca -0.11 0.39 0.02 0.00 -2.44 0.00 0.00 57.07 54.93 3m3h s TYR 34 Cb -0.09 -0.01 0.01 0.00 0.35 0.00 0.00 41.96 42.22 3m3h s TYR 34 CO -0.00 -0.11 -0.21 0.00 -1.34 0.00 0.00 175.55 173.89 3m3h s ASP 36 N 0.81 3.56 0.00 0.00 2.15 0.61 -4.98 116.67 118.82 3m3h s ASP 36 Ca -0.07 -2.41 0.20 0.00 0.43 0.00 0.00 52.55 50.70 3m3h s ASP 36 Cb -0.16 -0.88 1.15 0.00 -0.30 0.00 0.00 42.92 42.73 3m3h s ASP 36 CO -0.01 -0.29 1.62 0.59 -0.17 0.00 0.00 175.17 176.90 3m3h n ASN 37 N 3.81 0.00 0.28 -0.34 5.03 -1.26 -2.56 115.26 120.22 3m3h n ASN 37 Ca 0.08 -0.43 0.13 0.00 0.87 0.00 0.00 54.58 55.24 3m3h n ASN 37 Cb 0.36 -0.10 0.81 0.00 -1.02 0.00 0.00 39.78 39.83 3m3h n ASN 37 CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 3m3h h ARG 38 N 0.00 0.00 0.00 3.52 3.08 -1.93 -2.07 114.38 116.98 3m3h h ARG 38 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3m3h h ARG 38 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 3m3h h ARG 38 CO 0.00 0.06 -0.11 -0.07 -1.07 0.00 0.00 179.97 178.79 3m3h h LEU 39 N 0.00 0.00 -2.39 3.04 4.07 -1.88 -2.29 115.31 115.86 3m3h h LEU 39 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 3m3h h LEU 39 Cb 0.16 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.90 3m3h h LEU 39 CO 0.01 0.11 -0.02 0.71 -1.08 0.00 0.00 178.44 178.16 3m3h h THR 40 N 0.00 0.17 -0.11 0.22 1.35 -1.61 -2.40 112.91 110.53 3m3h h THR 40 Ca -0.00 -0.22 0.03 0.00 -0.55 0.00 0.00 66.41 65.67 3m3h h THR 40 Cb 0.45 1.18 -0.00 0.00 -1.73 0.00 0.00 68.15 68.05 3m3h h THR 40 CO 0.01 0.02 0.09 -0.07 -0.25 0.00 0.00 175.52 175.33 3m3h h LEU 41 N 0.00 0.00 -0.20 3.87 4.07 -1.58 -2.34 115.31 119.13 3m3h h LEU 41 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3m3h h LEU 41 Cb 0.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.92 3m3h h LEU 41 CO 0.00 0.00 -0.06 -1.20 -1.08 0.00 0.00 178.44 176.10 3m3h n SER 42 N -4.32 0.37 -3.99 -0.43 7.64 -0.90 -4.62 113.62 107.36 3m3h n SER 42 Ca -0.00 -0.62 -0.31 0.00 1.01 0.00 0.00 58.87 58.95 3m3h n SER 42 Cb 0.20 -0.10 -0.13 0.00 -1.01 0.00 0.00 64.21 63.17 3m3h n SER 42 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3m3h s TYR 43 N -2.39 3.31 0.35 1.43 2.02 -0.88 -5.00 117.35 116.19 3m3h s TYR 43 Ca 0.32 -3.06 0.05 0.00 -0.37 0.00 0.00 57.07 54.02 3m3h s TYR 43 Cb 0.20 -2.91 0.72 0.00 -0.40 0.00 0.00 41.96 39.57 3m3h s TYR 43 CO 0.45 -0.79 1.94 -1.35 -1.57 0.00 0.00 175.55 174.22 3m3h h PRO 44 N 6.78 0.77 0.13 -1.71 0.11 -1.82 -0.08 132.00 136.18 3m3h h PRO 44 Ca -0.06 -0.05 -0.23 0.00 0.11 0.00 0.00 66.00 65.77 3m3h h PRO 44 Cb 0.92 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 31.87 3m3h h PRO 44 CO 0.67 0.51 -1.10 -0.22 -0.21 0.00 0.00 178.00 177.65 3m3h h LYS 45 N 0.79 0.27 -0.76 1.05 3.64 -1.94 -2.92 116.57 116.71 3m3h h LYS 45 Ca 0.35 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3m3h h LYS 45 Cb 0.32 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 3m3h h LYS 45 CO -0.12 1.22 0.47 0.28 -2.27 0.00 0.00 179.45 179.03 3m3h h VAL 46 N -0.34 1.21 -0.17 2.00 2.07 -1.88 -1.10 116.25 118.03 3m3h h VAL 46 Ca -0.22 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 3m3h h VAL 46 Cb 1.70 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3m3h h VAL 46 CO 0.11 0.21 -0.22 0.08 0.02 0.00 0.00 177.57 177.76 3m3h h ARG 47 N 1.03 0.31 -0.31 1.57 0.11 -1.12 -0.54 114.38 115.43 3m3h h ARG 47 Ca 0.27 -0.10 -0.14 0.00 0.10 0.00 0.00 59.98 60.12 3m3h h ARG 47 Cb -0.07 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 30.97 3m3h h ARG 47 CO -0.05 0.52 -0.37 1.96 0.10 0.00 0.00 179.97 182.12 3m3h h GLN 48 N 0.28 0.72 -0.69 0.08 4.20 -1.20 -0.19 115.11 118.31 3m3h h GLN 48 Ca 0.05 -0.36 -0.08 0.00 0.06 0.00 0.00 58.65 58.32 3m3h h GLN 48 Cb 0.55 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 3m3h h GLN 48 CO 0.04 0.97 0.13 1.15 -0.67 0.00 0.00 178.83 180.45 3m3h h THR 49 N 0.59 1.26 -0.22 -0.54 2.02 -0.67 0.13 112.91 115.49 3m3h h THR 49 Ca 0.05 -1.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.18 3m3h h THR 49 Cb 0.91 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 3m3h h THR 49 CO 0.08 0.39 0.00 0.40 0.37 0.00 0.00 175.52 176.76 3m3h h ILE 50 N 1.06 1.25 -0.63 3.11 2.04 -0.92 -1.49 117.51 121.93 3m3h h ILE 50 Ca 0.21 -0.87 -0.06 0.00 1.00 0.00 0.00 64.86 65.14 3m3h h ILE 50 Cb 0.42 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 3m3h h ILE 50 CO 0.01 0.27 0.16 0.00 0.00 0.00 0.00 178.15 178.58 3m3h h ALA 51 N 0.80 1.08 -0.55 1.87 0.00 -0.74 0.32 119.26 122.04 3m3h h ALA 51 Ca 0.06 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3m3h h ALA 51 Cb 0.39 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3m3h h ALA 51 CO 0.01 0.61 0.09 0.00 0.00 0.00 0.00 179.25 179.96 3m3h h ALA 52 N 1.22 1.12 -0.52 0.00 0.00 -0.67 -0.91 119.26 119.50 3m3h h ALA 52 Ca 0.20 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3m3h h ALA 52 Cb 0.33 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3m3h h ALA 52 CO -0.00 0.58 0.01 0.78 0.00 0.00 0.00 179.25 180.61 3m3h h GLY 53 N 0.99 0.99 0.99 0.00 0.00 -0.47 -0.63 103.07 104.95 3m3h h GLY 53 Ca 0.17 -0.72 -0.05 0.00 0.00 0.00 0.00 47.33 46.73 3m3h h GLY 53 CO 0.01 0.67 0.15 1.41 0.00 0.00 0.00 176.54 178.77 3m3h h LEU 54 N 0.79 0.82 -0.72 3.11 3.38 -0.66 -0.75 115.31 121.27 3m3h h LEU 54 Ca 0.15 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3m3h h LEU 54 Cb 0.52 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 3m3h h LEU 54 CO 0.03 0.83 0.46 -0.08 0.09 0.00 0.00 178.44 179.76 3m3h h GLU 55 N 0.77 0.89 -0.53 1.13 4.81 -0.99 -1.28 114.58 119.36 3m3h h GLU 55 Ca 0.17 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 3m3h h GLU 55 Cb 0.32 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3m3h h GLU 55 CO -0.00 0.59 0.17 1.49 -0.73 0.00 0.00 179.01 180.53 3m3h h GLU 56 N 0.91 0.82 -0.96 1.92 4.57 -0.73 -0.37 114.58 120.74 3m3h h GLU 56 Ca 0.28 -0.17 0.05 0.00 -1.18 0.00 0.00 59.36 58.33 3m3h h GLU 56 Cb -0.03 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 28.38 3m3h h GLU 56 CO -0.09 0.75 0.62 -0.07 -1.18 0.00 0.00 179.01 179.03 3m3h h LEU 57 N 0.73 1.02 -0.31 1.64 3.38 -0.67 -0.08 115.31 121.01 3m3h h LEU 57 Ca 0.17 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 3m3h h LEU 57 Cb 0.26 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3m3h h LEU 57 CO -0.01 0.68 -0.06 0.40 0.09 0.00 0.00 178.44 179.55 3m3h h ILE 58 N 1.17 1.28 -0.64 1.22 2.04 -0.75 -0.09 117.51 121.74 3m3h h ILE 58 Ca 0.39 -1.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 3m3h h ILE 58 Cb 0.06 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 3m3h h ILE 58 CO -0.14 0.35 0.23 0.11 0.00 0.00 0.00 178.15 178.70 3m3h h LYS 59 N 0.37 0.95 -0.19 2.37 1.57 -0.81 0.35 116.57 121.18 3m3h h LYS 59 Ca 0.08 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.56 3m3h h LYS 59 Cb 0.54 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3m3h h LYS 59 CO 0.03 0.80 -0.41 0.93 -0.57 0.00 0.00 179.45 180.23 3m3h h GLU 60 N 0.93 0.61 0.00 3.15 5.08 -0.86 -3.37 114.58 120.13 3m3h h GLU 60 Ca 0.21 -0.40 -0.14 0.00 -1.00 0.00 0.00 59.36 58.03 3m3h h GLU 60 Cb 0.22 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 3m3h h GLU 60 CO -0.01 1.02 -1.63 0.72 -1.00 0.00 0.00 179.01 178.11 3m3h n HIS 61 N -4.24 0.00 -2.81 4.33 8.25 -0.06 -4.79 115.22 115.90 3m3h n HIS 61 Ca -0.06 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.21 3m3h n HIS 61 Cb 0.54 -0.43 -0.01 0.00 1.12 0.00 0.00 29.99 31.21 3m3h n HIS 61 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3m3h n PHE 62 N -2.26 2.03 0.30 4.41 3.72 0.12 -4.97 117.46 120.81 3m3h n PHE 62 Ca -0.13 -3.38 0.18 0.00 -0.05 0.00 0.00 57.45 54.07 3m3h n PHE 62 Cb 0.71 -0.34 0.85 0.00 -0.94 0.00 0.00 39.48 39.75 3m3h n PHE 62 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3m3h h PRO 63 N 2.90 0.00 -0.23 -1.08 0.13 -1.66 -2.34 132.00 129.71 3m3h h PRO 63 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3m3h h PRO 63 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3m3h h PRO 63 CO 0.65 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.67 3m3h n THR 64 N -2.86 0.30 -1.58 1.56 -2.24 -1.26 -4.96 114.28 103.24 3m3h n THR 64 Ca -0.01 -0.36 -0.47 0.00 -2.27 0.00 0.00 64.05 60.95 3m3h n THR 64 Cb 0.17 0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.61 3m3h n THR 64 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3m3h n VAL 65 N 0.29 1.44 -0.02 2.28 3.14 -0.88 -4.83 118.33 119.74 3m3h n VAL 65 Ca 0.13 -0.36 -0.02 0.00 -2.96 0.00 0.00 64.34 61.13 3m3h n VAL 65 Cb 0.27 -0.94 -0.05 0.00 -1.06 0.00 0.00 33.84 32.07 3m3h n VAL 65 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3m3h n GLU 66 N 1.27 2.52 -3.88 1.45 1.02 0.22 -5.01 120.64 118.24 3m3h n GLU 66 Ca 0.12 -0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.13 3m3h n GLU 66 Cb 0.28 -1.15 -0.13 0.00 -0.02 0.00 0.00 31.44 30.43 3m3h n GLU 66 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3m3h s VAL 67 N -2.19 0.02 -0.20 2.62 1.01 -0.48 -4.12 120.40 117.05 3m3h s VAL 67 Ca -0.03 -0.15 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 3m3h s VAL 67 Cb 0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.28 3m3h s VAL 67 CO 0.24 -0.08 0.08 -0.63 0.00 0.00 0.00 175.10 174.71 3m3h s ILE 68 N -0.23 4.84 -0.20 2.22 -1.09 -0.50 -1.67 121.20 124.58 3m3h s ILE 68 Ca -0.03 -0.01 -0.03 0.00 -2.23 0.00 0.00 60.65 58.36 3m3h s ILE 68 Cb -0.02 -3.21 -0.01 0.00 -1.58 0.00 0.00 42.46 37.64 3m3h s ILE 68 CO -0.00 0.42 -0.08 0.00 -1.23 0.00 0.00 174.94 174.05 3m3h s ALA 69 N 0.70 2.74 0.34 9.38 0.00 -0.12 -0.95 121.76 133.84 3m3h s ALA 69 Ca 0.04 -1.10 0.07 0.00 0.00 0.00 0.00 51.96 50.97 3m3h s ALA 69 Cb -0.13 -1.55 -0.01 0.00 0.00 0.00 0.00 23.12 21.44 3m3h s ALA 69 CO 0.02 -0.26 0.48 0.20 0.00 0.00 0.00 175.76 176.20 3m3h s GLY 70 N 1.18 1.63 0.00 0.00 0.00 -0.28 -0.58 107.32 109.27 3m3h s GLY 70 Ca 0.02 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.27 3m3h s GLY 70 CO -0.02 -1.38 0.00 2.41 0.00 0.00 0.00 173.10 174.11 3m3h n THR 71 N -1.66 0.00 0.00 0.90 -1.04 -1.21 -1.28 114.28 109.99 3m3h n THR 71 Ca 0.01 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 3m3h n THR 71 Cb 0.58 0.59 0.00 0.00 -1.82 0.00 0.00 70.33 69.68 3m3h n THR 71 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3m3h n GLY 75 N 0.16 2.96 0.09 3.41 0.00 -1.26 -4.70 105.19 105.85 3m3h n GLY 75 Ca 0.00 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 3m3h n GLY 75 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3m3h h ILE 76 N 0.00 1.14 -0.39 -0.61 5.03 -1.89 1.00 117.51 121.79 3m3h h ILE 76 Ca 0.00 -0.41 0.00 0.00 -0.12 0.00 0.00 64.86 64.33 3m3h h ILE 76 Cb 0.00 1.17 -0.02 0.00 -3.03 0.00 0.00 36.82 34.94 3m3h h ILE 76 CO 0.00 0.13 0.25 0.00 -0.68 0.00 0.00 178.15 177.85 3m3h h ALA 77 N 0.91 0.50 -0.71 1.87 0.00 -1.99 0.49 119.26 120.33 3m3h h ALA 77 Ca 0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3m3h h ALA 77 Cb 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3m3h h ALA 77 CO -0.00 -0.04 0.24 0.45 0.00 0.00 0.00 179.25 179.90 3m3h h HIS 78 N 0.52 1.13 -0.49 0.00 3.86 -1.96 -0.98 115.15 117.23 3m3h h HIS 78 Ca 0.14 -0.11 -0.08 0.00 -1.16 0.00 0.00 60.37 59.17 3m3h h HIS 78 Cb -0.05 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.07 3m3h h HIS 78 CO -0.05 0.89 -0.00 0.00 0.86 0.00 0.00 177.93 179.63 3m3h h ALA 79 N 1.11 1.08 -0.27 2.45 0.00 -0.56 -1.22 119.26 121.86 3m3h h ALA 79 Ca 0.23 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3m3h h ALA 79 Cb 0.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3m3h h ALA 79 CO -0.01 0.58 0.13 0.00 0.00 0.00 0.00 179.25 179.95 3m3h h ALA 80 N 1.24 0.35 -0.67 0.00 0.00 -0.33 0.85 119.26 120.70 3m3h h ALA 80 Ca 0.15 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3m3h h ALA 80 Cb 0.46 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3m3h h ALA 80 CO 0.02 -0.10 0.23 -1.49 0.00 0.00 0.00 179.25 177.91 3m3h h TRP 81 N 0.31 1.05 -0.07 0.00 6.55 -0.90 -1.63 115.95 121.27 3m3h h TRP 81 Ca 0.09 -0.10 -0.01 0.00 0.95 0.00 0.00 58.89 59.82 3m3h h TRP 81 Cb 0.11 -0.31 -0.00 0.00 -0.86 0.00 0.00 29.16 28.09 3m3h h TRP 81 CO -0.02 0.84 -0.01 0.28 -1.05 0.00 0.00 178.44 178.48 3m3h h VAL 82 N 0.96 1.27 -0.93 1.49 2.07 -1.15 -2.55 116.25 117.41 3m3h h VAL 82 Ca 0.22 -0.85 0.09 0.00 0.82 0.00 0.00 66.70 66.98 3m3h h VAL 82 Cb 0.27 1.71 -0.07 0.00 -1.52 0.00 0.00 31.29 31.68 3m3h h VAL 82 CO -0.01 0.23 0.57 0.28 0.02 0.00 0.00 177.57 178.66 3m3h h SER 83 N -0.19 0.85 -0.38 0.57 0.02 -0.75 -1.49 113.55 112.18 3m3h h SER 83 Ca 0.02 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 3m3h h SER 83 Cb 0.37 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3m3h h SER 83 CO 0.00 0.50 -0.03 -0.78 -1.14 0.00 0.00 176.83 175.38 3m3h h ASP 84 N 0.96 0.69 -0.66 3.07 3.58 -1.26 0.21 116.42 123.02 3m3h h ASP 84 Ca 0.44 -0.33 0.01 0.00 0.42 0.00 0.00 57.03 57.56 3m3h h ASP 84 Cb 0.34 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.17 3m3h h ASP 84 CO -0.23 0.85 0.44 0.03 -2.88 0.00 0.00 179.24 177.45 3m3h h ARG 85 N 0.51 0.86 -0.02 0.28 3.08 -0.94 -2.70 114.38 115.44 3m3h h ARG 85 Ca 0.10 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3m3h h ARG 85 Cb 0.52 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3m3h h ARG 85 CO 0.03 0.57 -0.10 -1.33 -1.07 0.00 0.00 179.97 178.07 3m3h n MET 86 N -4.44 1.81 -3.82 0.04 2.81 -0.63 -4.98 117.12 107.92 3m3h n MET 86 Ca 0.07 -1.36 -0.26 0.00 -1.81 0.00 0.00 57.70 54.34 3m3h n MET 86 Cb 0.04 -1.47 0.03 0.00 -0.71 0.00 0.00 33.22 31.11 3m3h n MET 86 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3m3h n ASP 87 N 0.59 -3.32 -4.48 7.83 8.00 -0.02 -4.99 116.55 120.15 3m3h n ASP 87 Ca 0.15 -0.79 -0.30 0.00 0.71 0.00 0.00 54.79 54.55 3m3h n ASP 87 Cb 0.48 -3.97 -0.12 0.00 -0.02 0.00 0.00 41.12 37.50 3m3h n ASP 87 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3m3h s LEU 88 N -7.04 2.70 0.57 0.64 1.43 -0.68 -5.05 118.68 111.25 3m3h s LEU 88 Ca 0.39 -0.47 -0.20 0.00 -1.03 0.00 0.00 54.13 52.82 3m3h s LEU 88 Cb -0.19 -1.57 -0.05 0.00 0.03 0.00 0.00 46.19 44.41 3m3h s LEU 88 CO 0.82 0.22 1.12 -2.65 0.23 0.00 0.00 176.35 176.09 3m3h n PRO 89 N 1.18 1.20 -4.36 1.29 -0.02 -1.26 -4.67 135.00 128.36 3m3h n PRO 89 Ca -0.16 0.45 -0.23 0.00 -2.02 0.00 0.00 63.50 61.55 3m3h n PRO 89 Cb 0.52 -2.31 -0.11 0.00 -0.02 0.00 0.00 33.50 31.58 3m3h n PRO 89 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3m3h s MET 90 N -2.78 1.35 0.20 -0.52 1.75 -1.26 -1.41 119.30 116.62 3m3h s MET 90 Ca 0.74 -1.46 -0.05 0.00 -1.25 0.00 0.00 55.69 53.66 3m3h s MET 90 Cb -0.43 -1.44 -0.03 0.00 2.84 0.00 0.00 34.83 35.78 3m3h s MET 90 CO 0.48 0.29 0.23 0.00 -0.65 0.00 0.00 175.02 175.37 3m3h s TYR 92 N -4.08 0.30 -0.17 0.00 -0.85 -0.42 -1.13 117.35 111.00 3m3h s TYR 92 Ca 0.29 -0.65 -0.00 0.00 -0.52 0.00 0.00 57.07 56.19 3m3h s TYR 92 Cb 0.05 -0.22 -0.00 0.00 0.38 0.00 0.00 41.96 42.17 3m3h s TYR 92 CO 0.08 -0.32 -0.14 0.08 -1.52 0.00 0.00 175.55 173.73 3m3h s VAL 93 N -2.63 2.74 0.00 -3.49 1.01 -0.40 -0.44 120.40 117.18 3m3h s VAL 93 Ca -0.05 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.20 3m3h s VAL 93 Cb -0.01 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.19 3m3h s VAL 93 CO -0.05 0.50 0.33 0.54 0.00 0.00 0.00 175.10 176.42 3m3h n ARG 94 N 4.24 0.00 -1.86 2.72 1.74 -1.26 -4.52 116.66 117.71 3m3h n ARG 94 Ca -0.19 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.59 3m3h n ARG 94 Cb 0.51 -0.81 0.04 0.00 -1.02 0.00 0.00 32.46 31.18 3m3h n ARG 94 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3m3h n ASN 104 N -0.46 6.02 -4.77 0.55 6.94 -1.26 -4.96 115.26 117.33 3m3h n ASN 104 Ca 0.00 -3.77 -0.41 0.00 -0.02 0.00 0.00 54.58 50.39 3m3h n ASN 104 Cb 0.00 -0.63 -0.02 0.00 -2.36 0.00 0.00 39.78 36.77 3m3h n ASN 104 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 3m3h s GLN 105 N -3.71 4.32 -0.23 -3.83 0.74 -1.26 -4.89 119.66 110.79 3m3h s GLN 105 Ca 0.55 2.27 -0.12 0.00 0.05 0.00 0.00 55.36 58.11 3m3h s GLN 105 Cb 0.44 -3.06 -0.05 0.00 1.10 0.00 0.00 33.01 31.44 3m3h s GLN 105 CO -0.06 -0.26 0.23 0.42 -0.55 0.00 0.00 175.29 175.07 3m3h s ILE 106 N -1.00 5.31 -0.18 -2.34 1.01 -1.26 -4.49 121.20 118.25 3m3h s ILE 106 Ca 0.51 0.32 -0.08 0.00 0.00 0.00 0.00 60.65 61.40 3m3h s ILE 106 Cb -0.41 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 3m3h s ILE 106 CO 0.53 0.31 0.07 -1.61 0.00 0.00 0.00 174.94 174.25 3m3h s GLU 107 N 1.19 3.96 0.00 2.79 0.41 0.41 -4.92 118.70 122.54 3m3h s GLU 107 Ca 0.11 -0.31 0.00 0.00 -0.41 0.00 0.00 54.97 54.35 3m3h s GLU 107 Cb -0.14 -3.23 0.00 0.00 -1.78 0.00 0.00 34.13 28.98 3m3h s GLU 107 CO 0.06 0.32 0.00 0.41 -0.49 0.00 0.00 175.26 175.55 3m3h n GLY 108 N 3.41 0.55 3.74 -1.39 0.00 -1.26 -1.30 105.19 108.95 3m3h n GLY 108 Ca -0.17 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 3m3h n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m3h s LYS 109 N -2.94 4.40 -0.34 1.61 1.02 -1.26 -4.84 119.74 117.39 3m3h s LYS 109 Ca 0.00 2.06 0.02 0.00 0.02 0.00 0.00 55.97 58.08 3m3h s LYS 109 Cb 0.00 -3.18 0.15 0.00 -0.52 0.00 0.00 37.83 34.28 3m3h s LYS 109 CO 0.00 -0.22 0.36 0.00 -0.92 0.00 0.00 175.35 174.57 3m3h s ALA 110 N -0.13 -0.53 0.32 5.17 0.00 -1.26 -4.67 121.76 120.65 3m3h s ALA 110 Ca 0.55 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.87 3m3h s ALA 110 Cb -0.37 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 20.74 3m3h s ALA 110 CO 0.40 -1.98 0.48 -1.21 0.00 0.00 0.00 175.76 173.46 3m3h s GLU 111 N 1.81 3.37 0.09 0.00 2.02 -1.26 -4.87 118.70 119.86 3m3h s GLU 111 Ca 0.14 -0.60 -0.36 0.00 0.02 0.00 0.00 54.97 54.17 3m3h s GLU 111 Cb -0.14 -2.75 -0.15 0.00 0.10 0.00 0.00 34.13 31.18 3m3h s GLU 111 CO -0.14 0.19 1.47 1.17 0.02 0.00 0.00 175.26 177.96 3m3h n LYS 112 N -1.66 1.56 -0.16 1.61 4.81 -1.26 -1.92 118.16 121.14 3m3h n LYS 112 Ca -0.05 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 3m3h n LYS 112 Cb 0.57 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 33.36 3m3h n LYS 112 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3m3h n GLY 113 N 3.00 2.65 3.77 3.14 0.00 0.18 -4.92 105.19 113.00 3m3h n GLY 113 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3m3h n GLY 113 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3m3h s GLN 114 N -0.01 4.31 -0.33 1.61 -0.21 -0.81 -4.50 119.66 119.72 3m3h s GLN 114 Ca 0.00 2.06 -0.22 0.00 0.02 0.00 0.00 55.36 57.22 3m3h s GLN 114 Cb 0.00 -2.98 -0.00 0.00 1.00 0.00 0.00 33.01 31.03 3m3h s GLN 114 CO 0.00 -0.17 0.71 0.15 -2.12 0.00 0.00 175.29 173.86 3m3h s LYS 115 N -1.88 3.85 -0.02 2.91 1.02 -1.26 -1.01 119.74 123.36 3m3h s LYS 115 Ca 0.50 0.35 0.06 0.00 0.02 0.00 0.00 55.97 56.90 3m3h s LYS 115 Cb -0.36 -3.76 -0.02 0.00 -0.52 0.00 0.00 37.83 33.16 3m3h s LYS 115 CO 0.48 -0.69 -0.19 0.08 -0.92 0.00 0.00 175.35 174.10 3m3h s VAL 116 N 2.83 2.63 -0.10 3.17 1.01 0.36 -0.61 120.40 129.70 3m3h s VAL 116 Ca 0.28 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.32 3m3h s VAL 116 Cb -0.14 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 3m3h s VAL 116 CO 0.14 0.54 -0.13 -0.69 0.00 0.00 0.00 175.10 174.96 3m3h s VAL 117 N -0.72 3.12 -0.04 2.92 1.01 -0.67 -0.48 120.40 125.52 3m3h s VAL 117 Ca 0.11 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 61.23 3m3h s VAL 117 Cb -0.10 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 3m3h s VAL 117 CO 0.01 0.55 0.56 -0.69 0.00 0.00 0.00 175.10 175.53 3m3h s VAL 118 N -0.05 5.01 -0.26 2.92 1.01 -0.51 -0.95 120.40 127.58 3m3h s VAL 118 Ca -0.02 1.16 -0.06 0.00 0.00 0.00 0.00 61.98 63.05 3m3h s VAL 118 Cb -0.14 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 3m3h s VAL 118 CO 0.04 0.38 0.05 -0.69 0.00 0.00 0.00 175.10 174.88 3m3h s VAL 119 N 0.10 3.96 0.06 2.92 1.01 0.25 -0.68 120.40 128.03 3m3h s VAL 119 Ca 0.30 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 61.92 3m3h s VAL 119 Cb -0.17 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 3m3h s VAL 119 CO 0.15 0.26 -0.22 -1.61 0.00 0.00 0.00 175.10 173.68 3m3h s GLU 120 N 1.54 1.86 0.14 2.72 0.41 -0.34 -3.33 118.70 121.69 3m3h s GLU 120 Ca 0.05 -1.10 0.06 0.00 -0.41 0.00 0.00 54.97 53.57 3m3h s GLU 120 Cb -0.16 -2.06 -0.14 0.00 -1.78 0.00 0.00 34.13 29.99 3m3h s GLU 120 CO 0.02 0.51 1.31 -0.44 -0.49 0.00 0.00 175.26 176.17 3m3h h ASP 121 N 4.48 0.05 -3.98 -0.19 5.19 -1.87 -2.74 116.42 117.37 3m3h h ASP 121 Ca -0.48 -0.05 -0.08 0.00 -0.62 0.00 0.00 57.03 55.80 3m3h h ASP 121 Cb 1.15 -0.02 -0.23 0.00 0.18 0.00 0.00 39.33 40.42 3m3h h ASP 121 CO 0.45 0.99 -0.07 -0.22 -3.12 0.00 0.00 179.24 177.27 3m3h s LEU 122 N -6.90 -0.10 -0.29 1.55 2.96 -1.26 -3.31 118.68 111.33 3m3h s LEU 122 Ca 0.00 1.08 -0.08 0.00 -0.22 0.00 0.00 54.13 54.91 3m3h s LEU 122 Cb 0.10 1.89 -0.01 0.00 0.50 0.00 0.00 46.19 48.67 3m3h s LEU 122 CO 0.82 -0.21 0.12 -0.63 -1.32 0.00 0.00 176.35 175.13 3m3h s ILE 123 N 0.23 4.45 0.00 6.68 -1.09 -0.40 -4.93 121.20 126.13 3m3h s ILE 123 Ca -0.01 -0.35 0.00 0.00 -2.23 0.00 0.00 60.65 58.07 3m3h s ILE 123 Cb -0.04 -3.20 0.00 0.00 -1.58 0.00 0.00 42.46 37.64 3m3h s ILE 123 CO 0.01 0.17 0.00 -1.54 -1.23 0.00 0.00 174.94 172.35 3m3h n SER 124 N 4.95 0.00 0.10 3.58 3.41 -1.26 -1.92 113.62 122.48 3m3h n SER 124 Ca -0.15 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.59 3m3h n SER 124 Cb 0.50 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.84 3m3h n SER 124 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3m3h n THR 125 N 0.00 0.58 0.00 6.66 -2.24 -1.26 -4.16 114.28 113.85 3m3h n THR 125 Ca 0.00 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 3m3h n THR 125 Cb 0.00 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 3m3h n THR 125 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m3h n GLY 126 N 1.31 3.36 0.24 3.38 0.00 -1.26 -2.58 105.19 109.63 3m3h n GLY 126 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 3m3h n GLY 126 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3m3h h GLY 127 N 0.00 -0.22 0.86 -0.02 0.00 -1.94 -0.74 103.07 101.02 3m3h h GLY 127 Ca 0.00 0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.59 3m3h h GLY 127 CO 0.00 -0.18 0.23 0.23 0.00 0.00 0.00 176.54 176.83 3m3h h SER 128 N -0.28 0.37 -0.30 0.19 0.87 -1.97 -0.74 113.55 111.68 3m3h h SER 128 Ca 0.08 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3m3h h SER 128 Cb 0.40 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 3m3h h SER 128 CO -0.24 0.26 0.18 0.00 -0.53 0.00 0.00 176.83 176.51 3m3h h ALA 129 N 1.20 0.38 -0.60 6.23 0.00 -1.83 -1.85 119.26 122.78 3m3h h ALA 129 Ca 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3m3h h ALA 129 Cb 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3m3h h ALA 129 CO -0.09 -0.12 0.30 0.82 0.00 0.00 0.00 179.25 180.16 3m3h h ILE 130 N 0.39 1.21 -0.75 0.00 1.08 -0.99 -1.72 117.51 116.72 3m3h h ILE 130 Ca 0.11 -0.58 0.09 0.00 -0.39 0.00 0.00 64.86 64.09 3m3h h ILE 130 Cb 0.01 0.48 -0.07 0.00 -3.07 0.00 0.00 36.82 34.16 3m3h h ILE 130 CO -0.02 0.24 0.40 0.74 -0.69 0.00 0.00 178.15 178.82 3m3h h THR 131 N 0.82 0.89 -0.20 -0.27 2.02 -0.40 0.68 112.91 116.45 3m3h h THR 131 Ca 0.21 -0.24 -0.05 0.00 0.77 0.00 0.00 66.41 67.10 3m3h h THR 131 Cb 0.10 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 3m3h h THR 131 CO -0.03 0.13 -0.07 0.00 0.37 0.00 0.00 175.52 175.91 3m3h h VAL 133 N 0.11 1.14 -0.86 0.00 2.07 -0.96 -2.57 116.25 115.19 3m3h h VAL 133 Ca 0.05 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3m3h h VAL 133 Cb 0.54 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 3m3h h VAL 133 CO 0.02 0.14 0.49 -0.33 0.02 0.00 0.00 177.57 177.91 3m3h h GLU 134 N 0.73 1.18 -0.61 1.57 4.39 -0.82 -0.19 114.58 120.82 3m3h h GLU 134 Ca 0.20 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 3m3h h GLU 134 Cb -0.07 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.31 3m3h h GLU 134 CO -0.04 0.85 0.31 0.00 -1.16 0.00 0.00 179.01 178.97 3m3h h ALA 135 N 1.34 0.79 -0.41 3.43 0.00 -1.05 0.69 119.26 124.05 3m3h h ALA 135 Ca 0.30 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 3m3h h ALA 135 Cb -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3m3h h ALA 135 CO -0.05 0.34 -0.30 -0.07 0.00 0.00 0.00 179.25 179.17 3m3h h LEU 136 N 0.84 0.94 -0.70 0.00 3.38 -1.07 -2.32 115.31 116.38 3m3h h LEU 136 Ca 0.21 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 3m3h h LEU 136 Cb 0.10 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3m3h h LEU 136 CO -0.03 1.16 0.11 0.03 0.09 0.00 0.00 178.44 179.81 3m3h h ARG 137 N 0.76 1.11 -0.36 1.13 3.08 -0.79 -2.03 114.38 117.29 3m3h h ARG 137 Ca 0.08 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.84 3m3h h ARG 137 Cb 0.87 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.77 3m3h h ARG 137 CO 0.08 1.01 0.22 0.93 -1.07 0.00 0.00 179.97 181.14 3m3h h GLU 138 N 1.04 0.48 0.00 0.04 5.08 -0.65 -1.09 114.58 119.48 3m3h h GLU 138 Ca 0.21 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3m3h h GLU 138 Cb 0.44 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3m3h h GLU 138 CO 0.01 0.33 0.00 0.00 -1.00 0.00 0.00 179.01 178.35 3m3h n ALA 139 N -2.48 2.18 -0.06 3.43 0.00 -0.89 -4.88 120.51 117.81 3m3h n ALA 139 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3m3h n ALA 139 Cb 0.07 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.13 3m3h n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m3h n GLY 140 N 0.90 0.64 3.83 0.00 0.00 -0.41 -4.15 105.19 106.00 3m3h n GLY 140 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3m3h n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m3h s GLU 142 N -4.37 3.15 -0.36 0.00 2.12 -0.18 -4.36 118.70 114.71 3m3h s GLU 142 Ca 0.59 -0.77 -0.24 0.00 0.36 0.00 0.00 54.97 54.92 3m3h s GLU 142 Cb -0.12 -3.94 0.01 0.00 0.26 0.00 0.00 34.13 30.34 3m3h s GLU 142 CO 0.39 -0.76 0.83 0.08 -0.54 0.00 0.00 175.26 175.26 3m3h s VAL 143 N 1.99 4.69 0.18 3.70 1.01 -1.26 -0.48 120.40 130.22 3m3h s VAL 143 Ca 0.10 0.99 -0.07 0.00 0.00 0.00 0.00 61.98 63.01 3m3h s VAL 143 Cb -0.17 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 3m3h s VAL 143 CO 0.12 -0.45 1.52 -0.07 0.00 0.00 0.00 175.10 176.22 3m3h h LEU 144 N 9.82 0.83 0.00 3.92 3.38 -1.14 -3.47 115.31 128.64 3m3h h LEU 144 Ca -0.24 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.35 3m3h h LEU 144 Cb 1.09 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3m3h h LEU 144 CO 0.93 1.12 0.00 0.61 0.09 0.00 0.00 178.44 181.19 3m3h n GLY 145 N 0.07 -0.92 3.19 0.83 0.00 -1.25 -4.45 105.19 102.67 3m3h n GLY 145 Ca -0.02 -1.15 -0.26 0.00 0.00 0.00 0.00 46.02 44.59 3m3h n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m3h s ILE 146 N -3.00 1.50 -0.06 -0.61 1.01 -0.14 -1.42 121.20 118.48 3m3h s ILE 146 Ca 0.00 -0.81 0.05 0.00 0.00 0.00 0.00 60.65 59.90 3m3h s ILE 146 Cb 0.00 -1.25 -0.02 0.00 0.01 0.00 0.00 42.46 41.20 3m3h s ILE 146 CO 0.00 0.42 -0.21 0.68 0.00 0.00 0.00 174.94 175.84 3m3h s VAL 147 N -0.40 2.45 0.14 2.92 -7.23 0.15 -1.54 120.40 116.88 3m3h s VAL 147 Ca 0.06 -0.93 0.04 0.00 -1.81 0.00 0.00 61.98 59.33 3m3h s VAL 147 Cb -0.08 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.90 3m3h s VAL 147 CO -0.00 0.57 -0.08 -0.94 -0.31 0.00 0.00 175.10 174.34 3m3h s SER 148 N -0.35 1.59 0.10 4.85 1.04 -0.13 -1.20 113.70 119.59 3m3h s SER 148 Ca 0.03 -1.03 -0.13 0.00 0.48 0.00 0.00 55.95 55.30 3m3h s SER 148 Cb -0.12 0.03 -0.15 0.00 0.10 0.00 0.00 66.02 65.88 3m3h s SER 148 CO 0.02 -0.39 1.31 0.40 0.98 0.00 0.00 173.24 175.57 3m3h h ILE 149 N 2.81 1.28 -3.37 -1.02 2.04 -1.58 0.20 117.51 117.88 3m3h h ILE 149 Ca -0.36 -1.90 -0.10 0.00 1.00 0.00 0.00 64.86 63.49 3m3h h ILE 149 Cb 1.19 1.94 -0.17 0.00 -0.74 0.00 0.00 36.82 39.03 3m3h h ILE 149 CO 0.64 0.60 -0.29 0.12 0.00 0.00 0.00 178.15 179.22 3m3h s PHE 150 N -3.82 -0.06 -0.05 1.37 5.36 -1.21 -1.86 117.98 117.71 3m3h s PHE 150 Ca -0.11 -0.09 -0.04 0.00 -0.96 0.00 0.00 56.93 55.73 3m3h s PHE 150 Cb 0.08 0.06 0.02 0.00 -0.34 0.00 0.00 43.02 42.84 3m3h s PHE 150 CO 0.89 -0.48 0.13 -0.08 -1.46 0.00 0.00 175.22 174.23 3m3h s THR 151 N -2.50 -0.01 -1.51 0.12 -1.32 -1.16 -1.28 115.64 107.97 3m3h s THR 151 Ca -0.05 0.03 0.29 0.00 -1.21 0.00 0.00 61.69 60.74 3m3h s THR 151 Cb -0.01 -0.20 0.56 0.00 -1.51 0.00 0.00 72.50 71.34 3m3h s THR 151 CO -0.03 0.01 2.03 -1.22 -2.21 0.00 0.00 174.62 173.19 3m3h n TYR 152 N 3.18 0.00 -2.89 9.09 4.01 -0.81 -1.44 117.16 128.30 3m3h n TYR 152 Ca -0.14 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.38 3m3h n TYR 152 Cb 0.58 -0.24 0.02 0.00 -0.31 0.00 0.00 39.34 39.38 3m3h n TYR 152 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3m3h n GLU 153 N -1.24 -3.79 -2.48 -0.72 1.02 -1.26 -4.68 120.64 107.49 3m3h n GLU 153 Ca 0.15 0.85 -0.41 0.00 -0.02 0.00 0.00 57.16 57.73 3m3h n GLU 153 Cb 0.21 -5.63 -0.04 0.00 -0.02 0.00 0.00 31.44 25.96 3m3h n GLU 153 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3m3h s LEU 154 N -6.44 4.52 0.33 -4.62 1.43 -1.26 -4.94 118.68 107.71 3m3h s LEU 154 Ca 0.23 2.21 0.04 0.00 -1.03 0.00 0.00 54.13 55.57 3m3h s LEU 154 Cb -0.11 -3.62 0.65 0.00 0.03 0.00 0.00 46.19 43.15 3m3h s LEU 154 CO 0.28 -0.19 1.94 -0.08 0.23 0.00 0.00 176.35 178.53 3m3h h GLU 155 N 4.37 0.85 -0.48 1.70 4.57 -1.92 -2.07 114.58 121.60 3m3h h GLU 155 Ca -0.46 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 57.72 3m3h h GLU 155 Cb 1.21 -0.19 -0.05 0.00 -0.16 0.00 0.00 28.75 29.56 3m3h h GLU 155 CO 0.69 0.56 0.20 0.00 -1.18 0.00 0.00 179.01 179.29 3m3h h ALA 156 N 1.56 0.59 -0.34 2.92 0.00 -1.90 -0.81 119.26 121.28 3m3h h ALA 156 Ca 0.35 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.22 3m3h h ALA 156 Cb 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3m3h h ALA 156 CO -0.12 -0.17 -0.09 0.78 0.00 0.00 0.00 179.25 179.65 3m3h h GLY 157 N 0.40 0.72 0.64 0.00 0.00 -1.15 -2.33 103.07 101.36 3m3h h GLY 157 Ca 0.22 -0.60 0.04 0.00 0.00 0.00 0.00 47.33 46.99 3m3h h GLY 157 CO -0.19 0.54 0.04 0.50 0.00 0.00 0.00 176.54 177.43 3m3h h LYS 158 N 0.45 0.13 -0.53 4.80 1.57 -1.01 -1.82 116.57 120.16 3m3h h LYS 158 Ca 0.09 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3m3h h LYS 158 Cb 0.59 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 3m3h h LYS 158 CO 0.03 0.09 0.22 0.93 -0.57 0.00 0.00 179.45 180.15 3m3h h GLU 159 N 0.13 0.79 -0.37 3.15 5.08 -1.14 -0.41 114.58 121.81 3m3h h GLU 159 Ca 0.13 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3m3h h GLU 159 Cb 0.15 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3m3h h GLU 159 CO -0.19 0.68 0.19 0.87 -1.00 0.00 0.00 179.01 179.57 3m3h h LYS 160 N 0.71 0.38 -0.56 2.33 1.57 -1.18 0.27 116.57 120.10 3m3h h LYS 160 Ca 0.18 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.82 3m3h h LYS 160 Cb 0.18 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3m3h h LYS 160 CO -0.02 0.25 -0.08 -0.07 -0.57 0.00 0.00 179.45 178.97 3m3h h LEU 161 N 0.39 1.04 -0.30 2.94 3.38 -1.16 -2.36 115.31 119.24 3m3h h LEU 161 Ca 0.15 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3m3h h LEU 161 Cb 0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3m3h h LEU 161 CO -0.09 1.13 0.16 -0.33 0.09 0.00 0.00 178.44 179.39 3m3h h GLU 162 N 0.93 0.42 0.00 1.13 5.08 -0.81 -0.66 114.58 120.67 3m3h h GLU 162 Ca 0.15 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3m3h h GLU 162 Cb 0.65 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3m3h h GLU 162 CO 0.04 0.37 -0.23 0.00 -1.00 0.00 0.00 179.01 178.19 3m3h h ALA 163 N 1.03 1.48 -0.01 3.43 0.00 -0.84 -1.13 119.26 123.21 3m3h h ALA 163 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3m3h h ALA 163 Cb 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3m3h h ALA 163 CO -0.02 0.29 -0.02 0.00 0.00 0.00 0.00 179.25 179.51 3m3h n ALA 164 N -2.43 2.61 -3.54 0.00 0.00 -0.90 -4.96 120.51 111.28 3m3h n ALA 164 Ca -0.02 -0.45 -0.19 0.00 0.00 0.00 0.00 53.44 52.78 3m3h n ALA 164 Cb 0.30 -1.15 0.07 0.00 0.00 0.00 0.00 19.45 18.67 3m3h n ALA 164 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3m3h n ASN 165 N 0.15 -1.84 -4.23 0.00 5.15 -0.43 -5.00 115.26 109.06 3m3h n ASN 165 Ca 0.18 -0.71 -0.35 0.00 -0.60 0.00 0.00 54.58 53.10 3m3h n ASN 165 Cb 0.36 -4.67 -0.14 0.00 -0.53 0.00 0.00 39.78 34.80 3m3h n ASN 165 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3m3h s VAL 166 N -3.49 3.12 0.22 3.44 1.01 -0.33 -5.04 120.40 119.32 3m3h s VAL 166 Ca 0.02 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 3m3h s VAL 166 Cb -0.00 -2.60 -0.09 0.00 0.00 0.00 0.00 36.38 33.69 3m3h s VAL 166 CO 0.77 0.16 1.26 0.00 0.00 0.00 0.00 175.10 177.29 3m3h s ALA 167 N 1.36 3.49 -0.02 5.51 0.00 -1.26 -4.57 121.76 126.27 3m3h s ALA 167 Ca 0.01 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.03 3m3h s ALA 167 Cb -0.17 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.52 3m3h s ALA 167 CO -0.03 -0.47 0.01 0.45 0.00 0.00 0.00 175.76 175.72 3m3h s SER 168 N 0.09 0.21 0.01 0.00 0.15 -1.26 -0.96 113.70 111.94 3m3h s SER 168 Ca 0.54 -0.00 0.04 0.00 0.70 0.00 0.00 55.95 57.23 3m3h s SER 168 Cb -0.35 -0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 63.84 3m3h s SER 168 CO 0.40 -0.07 -0.13 -0.31 1.20 0.00 0.00 173.24 174.32 3m3h s TYR 169 N 0.72 1.13 0.05 3.44 2.02 -0.59 -4.99 117.35 119.13 3m3h s TYR 169 Ca -0.06 -0.27 0.08 0.00 -0.37 0.00 0.00 57.07 56.44 3m3h s TYR 169 Cb -0.09 -0.70 -0.03 0.00 -0.40 0.00 0.00 41.96 40.73 3m3h s TYR 169 CO -0.02 0.00 -0.23 -1.12 -1.57 0.00 0.00 175.55 172.62 3m3h s SER 170 N -0.67 2.72 0.28 2.29 0.01 -1.26 -0.95 113.70 116.11 3m3h s SER 170 Ca 0.03 -0.57 0.06 0.00 1.31 0.00 0.00 55.95 56.78 3m3h s SER 170 Cb -0.06 -0.22 0.40 0.00 0.21 0.00 0.00 66.02 66.35 3m3h s SER 170 CO 0.00 0.18 1.67 0.25 0.41 0.00 0.00 173.24 175.75 3m3h h LEU 171 N 4.72 0.27 -8.12 2.44 5.85 -0.89 -3.45 115.31 116.13 3m3h h LEU 171 Ca -0.44 -0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.05 3m3h h LEU 171 Cb 1.16 -0.08 -0.12 0.00 0.37 0.00 0.00 40.66 41.99 3m3h h LEU 171 CO 0.43 0.69 -0.33 -0.55 -0.34 0.00 0.00 178.44 178.34 3m3h s SER 172 N -6.88 0.04 0.26 1.25 0.15 -0.78 -3.59 113.70 104.16 3m3h s SER 172 Ca -0.05 -0.90 -0.05 0.00 0.70 0.00 0.00 55.95 55.65 3m3h s SER 172 Cb 0.13 0.44 -0.02 0.00 -1.71 0.00 0.00 66.02 64.86 3m3h s SER 172 CO 0.78 -0.90 0.35 1.51 1.20 0.00 0.00 173.24 176.18 3m3h s ASP 173 N -2.98 0.32 0.20 5.45 1.47 -1.26 -3.01 116.67 116.86 3m3h s ASP 173 Ca 0.18 -1.26 -0.10 0.00 1.18 0.00 0.00 52.55 52.56 3m3h s ASP 173 Cb 0.03 0.53 0.26 0.00 -0.34 0.00 0.00 42.92 43.41 3m3h s ASP 173 CO 0.01 -1.07 1.74 0.22 0.68 0.00 0.00 175.17 176.76 3m3h h TYR 174 N 2.34 0.38 -0.33 2.11 3.20 -1.52 -1.18 116.97 121.97 3m3h h TYR 174 Ca -0.30 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.62 3m3h h TYR 174 Cb 1.25 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.41 3m3h h TYR 174 CO 0.70 0.10 0.18 0.77 -1.64 0.00 0.00 178.16 178.27 3m3h h SER 175 N 0.40 0.29 -0.59 -2.11 0.02 -1.91 0.57 113.55 110.22 3m3h h SER 175 Ca 0.30 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.17 3m3h h SER 175 Cb 0.36 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 3m3h h SER 175 CO -0.30 0.21 0.04 0.00 -1.14 0.00 0.00 176.83 175.65 3m3h h ALA 176 N 1.16 0.93 -0.41 3.77 0.00 -1.81 -1.94 119.26 120.96 3m3h h ALA 176 Ca 0.14 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 3m3h h ALA 176 Cb 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3m3h h ALA 176 CO -0.08 0.65 -0.22 1.25 0.00 0.00 0.00 179.25 180.86 3m3h h LEU 177 N 0.95 0.91 -0.69 0.00 6.46 -0.89 -1.06 115.31 120.99 3m3h h LEU 177 Ca 0.18 -0.41 0.03 0.00 -0.12 0.00 0.00 57.88 57.56 3m3h h LEU 177 Cb 0.49 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 40.12 3m3h h LEU 177 CO 0.02 1.12 0.43 0.74 -0.62 0.00 0.00 178.44 180.13 3m3h h THR 178 N 0.69 1.09 -0.22 1.05 2.02 -0.77 -0.14 112.91 116.64 3m3h h THR 178 Ca 0.09 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 3m3h h THR 178 Cb 0.78 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3m3h h THR 178 CO 0.06 0.15 0.11 -0.08 0.37 0.00 0.00 175.52 176.13 3m3h h GLU 179 N 0.84 0.31 -0.55 6.66 4.81 -1.11 -1.87 114.58 123.68 3m3h h GLU 179 Ca 0.28 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.37 3m3h h GLU 179 Cb 0.02 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3m3h h GLU 179 CO -0.11 0.32 -0.01 0.28 -0.73 0.00 0.00 179.01 178.76 3m3h h VAL 180 N 0.22 1.26 -0.59 0.32 2.07 -0.95 -1.23 116.25 117.35 3m3h h VAL 180 Ca 0.07 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 3m3h h VAL 180 Cb 0.11 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3m3h h VAL 180 CO -0.01 0.40 0.23 0.00 0.02 0.00 0.00 177.57 178.21 3m3h h ALA 181 N 1.11 1.31 -0.23 1.67 0.00 -0.86 -0.65 119.26 121.60 3m3h h ALA 181 Ca 0.16 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 3m3h h ALA 181 Cb 0.53 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3m3h h ALA 181 CO 0.03 0.52 -0.58 0.00 0.00 0.00 0.00 179.25 179.21 3m3h h ALA 182 N 1.41 0.38 -1.00 0.00 0.00 -0.81 -1.03 119.26 118.22 3m3h h ALA 182 Ca 0.20 -0.53 0.02 0.00 0.00 0.00 0.00 54.91 54.60 3m3h h ALA 182 Cb 0.17 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3m3h h ALA 182 CO -0.02 0.62 0.66 0.93 0.00 0.00 0.00 179.25 181.44 3m3h h GLU 183 N 0.55 1.28 0.00 0.00 5.08 -0.89 -2.21 114.58 118.40 3m3h h GLU 183 Ca -0.01 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3m3h h GLU 183 Cb 1.20 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 30.16 3m3h h GLU 183 CO 0.13 0.85 0.00 1.63 -1.00 0.00 0.00 179.01 180.62 3m3h n LYS 184 N -4.40 0.12 -0.96 2.33 5.02 -0.28 -4.91 118.16 115.08 3m3h n LYS 184 Ca 0.13 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 3m3h n LYS 184 Cb 0.04 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 3m3h n LYS 184 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3m3h n GLY 185 N 0.72 0.70 0.28 0.72 0.00 -0.83 -4.91 105.19 101.86 3m3h n GLY 185 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 3m3h n GLY 185 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3m3h h ILE 186 N 0.00 1.23 -2.73 -0.61 2.04 -1.46 -3.44 117.51 112.54 3m3h h ILE 186 Ca 0.00 -0.71 -0.48 0.00 1.00 0.00 0.00 64.86 64.67 3m3h h ILE 186 Cb 0.00 0.52 -0.14 0.00 -0.74 0.00 0.00 36.82 36.46 3m3h h ILE 186 CO 0.00 0.28 -0.66 0.27 0.00 0.00 0.00 178.15 178.04 3m3h s ILE 187 N -5.58 1.51 0.00 -0.67 -4.36 -1.14 -5.02 121.20 105.94 3m3h s ILE 187 Ca -0.13 -2.09 0.00 0.00 -0.26 0.00 0.00 60.65 58.17 3m3h s ILE 187 Cb 0.13 -2.51 0.00 0.00 1.25 0.00 0.00 42.46 41.34 3m3h s ILE 187 CO 0.80 -0.25 0.00 0.61 0.24 0.00 0.00 174.94 176.34 3m3h n GLY 188 N -0.59 5.18 0.29 6.27 0.00 -1.26 -4.28 105.19 110.81 3m3h n GLY 188 Ca -0.05 -2.11 -0.05 0.00 0.00 0.00 0.00 46.02 43.81 3m3h n GLY 188 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3m3h h GLN 189 N 0.00 0.87 -0.61 1.61 4.15 -1.99 -1.25 115.11 117.89 3m3h h GLN 189 Ca 0.00 -0.24 -0.04 0.00 0.77 0.00 0.00 58.65 59.14 3m3h h GLN 189 Cb 0.00 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 3m3h h GLN 189 CO 0.00 0.86 0.22 0.00 -1.93 0.00 0.00 178.83 177.98 3m3h h ALA 190 N 1.20 0.80 -0.01 3.38 0.00 -2.00 -2.29 119.26 120.33 3m3h h ALA 190 Ca 0.16 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 3m3h h ALA 190 Cb 0.46 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3m3h h ALA 190 CO 0.02 0.44 -0.69 0.93 0.00 0.00 0.00 179.25 179.95 3m3h h GLU 191 N 0.86 0.07 -0.83 0.00 5.08 -1.93 -2.94 114.58 114.89 3m3h h GLU 191 Ca 0.20 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3m3h h GLU 191 Cb 0.24 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 3m3h h GLU 191 CO -0.01 0.73 0.52 1.15 -1.00 0.00 0.00 179.01 180.40 3m3h h THR 192 N 0.05 1.23 -0.69 1.13 2.02 -0.90 0.39 112.91 116.14 3m3h h THR 192 Ca -0.01 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 3m3h h THR 192 Cb 1.22 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 3m3h h THR 192 CO 0.10 0.23 0.36 0.50 0.37 0.00 0.00 175.52 177.07 3m3h h LYS 193 N 1.14 0.97 -0.52 6.66 3.64 -1.25 -0.34 116.57 126.87 3m3h h LYS 193 Ca 0.30 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 3m3h h LYS 193 Cb -0.08 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.53 3m3h h LYS 193 CO -0.06 0.75 0.22 0.87 -2.27 0.00 0.00 179.45 178.95 3m3h h LYS 194 N 0.95 0.77 -0.89 1.90 1.57 -1.23 -1.92 116.57 117.73 3m3h h LYS 194 Ca 0.24 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3m3h h LYS 194 Cb 0.07 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 3m3h h LYS 194 CO -0.04 0.67 0.58 -0.07 -0.57 0.00 0.00 179.45 180.03 3m3h h LEU 195 N 0.70 1.02 -0.70 2.94 3.38 -0.58 -1.63 115.31 120.44 3m3h h LEU 195 Ca 0.17 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 3m3h h LEU 195 Cb 0.18 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3m3h h LEU 195 CO -0.02 0.75 0.24 1.56 0.09 0.00 0.00 178.44 181.07 3m3h h GLN 196 N 1.20 1.08 -0.21 1.13 4.20 -0.84 -2.74 115.11 118.93 3m3h h GLN 196 Ca 0.32 -0.22 -0.14 0.00 0.06 0.00 0.00 58.65 58.67 3m3h h GLN 196 Cb -0.13 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.48 3m3h h GLN 196 CO -0.07 0.92 -0.46 0.93 -0.67 0.00 0.00 178.83 179.48 3m3h h GLU 197 N 1.02 0.53 -0.37 1.46 5.08 -1.06 -2.87 114.58 118.38 3m3h h GLU 197 Ca 0.23 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3m3h h GLU 197 Cb 0.27 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3m3h h GLU 197 CO -0.01 0.88 0.19 2.35 -1.00 0.00 0.00 179.01 181.42 3m3h h TRP 198 N 0.42 0.51 -0.81 4.33 7.01 -1.16 -1.81 115.95 124.45 3m3h h TRP 198 Ca 0.03 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 3m3h h TRP 198 Cb 0.97 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.83 3m3h h TRP 198 CO 0.04 0.42 0.45 -0.09 -2.79 0.00 0.00 178.44 176.46 3m3h h ARG 199 N 0.46 1.12 -0.36 2.65 2.43 -1.42 0.15 114.38 119.41 3m3h h ARG 199 Ca 0.13 -0.12 -0.12 0.00 -0.81 0.00 0.00 59.98 59.06 3m3h h ARG 199 Cb 0.08 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3m3h h ARG 199 CO -0.02 0.81 -0.26 0.87 -1.51 0.00 0.00 179.97 179.86 3m3h h LYS 200 N 1.13 0.73 -1.84 0.20 1.57 -1.30 -3.40 116.57 113.65 3m3h h LYS 200 Ca 0.29 -0.31 -0.46 0.00 -1.87 0.00 0.00 60.65 58.31 3m3h h LYS 200 Cb 0.01 -0.03 -0.31 0.00 0.08 0.00 0.00 32.23 31.98 3m3h h LYS 200 CO -0.05 0.91 -0.85 0.09 -0.57 0.00 0.00 179.45 178.99 3m3h n ASN 201 N -4.10 -1.30 0.26 0.86 3.02 -0.70 -4.93 115.26 108.37 3m3h n ASN 201 Ca -0.00 -2.60 0.12 0.00 -0.03 0.00 0.00 54.58 52.07 3m3h n ASN 201 Cb 0.45 0.15 0.69 0.00 -0.61 0.00 0.00 39.78 40.46 3m3h n ASN 201 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3m3h h PRO 202 N 5.18 0.00 -0.00 3.52 0.13 -0.93 -2.57 132.00 137.34 3m3h h PRO 202 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3m3h h PRO 202 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3m3h h PRO 202 CO 0.29 0.14 -0.45 0.00 -0.23 0.00 0.00 178.00 177.74 3m3h n ALA 203 N -2.26 3.47 -2.59 -0.56 0.00 -1.26 -4.80 120.51 112.51 3m3h n ALA 203 Ca -0.01 -0.41 -0.40 0.00 0.00 0.00 0.00 53.44 52.62 3m3h n ALA 203 Cb 0.27 -1.08 -0.08 0.00 0.00 0.00 0.00 19.45 18.56 3m3h n ALA 203 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3m3h s ASP 204 N -2.78 6.32 0.00 0.00 -1.08 -0.97 -4.97 116.67 113.18 3m3h s ASP 204 Ca 0.16 0.20 0.03 0.00 -0.52 0.00 0.00 52.55 52.42 3m3h s ASP 204 Cb 0.18 -2.25 0.18 0.00 -1.46 0.00 0.00 42.92 39.57 3m3h s ASP 204 CO 0.64 -0.33 0.96 -0.62 0.52 0.00 0.00 175.17 176.34 3m3h n GLU 205 N 5.54 0.84 0.20 4.34 1.02 -1.26 -3.47 120.64 127.85 3m3h n GLU 205 Ca -0.06 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.15 3m3h n GLU 205 Cb 0.50 -1.06 0.57 0.00 -0.02 0.00 0.00 31.44 31.43 3m3h n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3m3h h ALA 206 N 2.79 1.88 -0.43 0.62 0.00 -1.93 -2.14 119.26 120.04 3m3h h ALA 206 Ca 0.00 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.96 3m3h h ALA 206 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3m3h h ALA 206 CO 0.00 0.10 0.30 0.11 0.00 0.00 0.00 179.25 179.76 3m3h h TRP 207 N 0.10 0.18 -0.59 0.00 5.08 -1.87 -1.85 115.95 117.00 3m3h h TRP 207 Ca 0.03 0.00 0.04 0.00 1.08 0.00 0.00 58.89 60.04 3m3h h TRP 207 Cb 0.06 -0.06 -0.03 0.00 -3.00 0.00 0.00 29.16 26.13 3m3h h TRP 207 CO 0.00 0.09 0.39 0.82 -1.28 0.00 0.00 178.44 178.46 3m3h h ILE 208 N 0.18 1.05 -0.32 0.12 2.04 -1.68 -2.23 117.51 116.67 3m3h h ILE 208 Ca 0.20 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3m3h h ILE 208 Cb 0.57 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 3m3h h ILE 208 CO -0.03 0.12 0.00 0.35 0.00 0.00 0.00 178.15 178.59 3m3h n THR 209 N -4.47 1.86 0.31 -0.27 -2.24 -0.75 -4.98 114.28 103.75 3m3h n THR 209 Ca 0.07 -1.55 0.02 0.00 -2.27 0.00 0.00 64.05 60.33 3m3h n THR 209 Cb 0.17 0.01 0.15 0.00 -2.10 0.00 0.00 70.33 68.55 3m3h n THR 209 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50