#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ifw s GLN 2 N 0.00 0.70 0.93 2.12 -2.07 -1.26 -4.21 119.66 115.87 3ifw s GLN 2 Ca 0.00 -0.49 -0.16 0.00 -1.82 0.00 0.00 55.36 52.89 3ifw s GLN 2 Cb 0.00 0.30 0.22 0.00 -1.09 0.00 0.00 33.01 32.44 3ifw s GLN 2 CO 0.00 -0.21 1.09 1.28 -1.32 0.00 0.00 175.29 176.13 3ifw n LEU 3 N 0.84 0.00 -4.82 2.60 4.77 -0.32 -4.98 117.00 115.08 3ifw n LEU 3 Ca -0.20 -1.18 -0.37 0.00 -0.03 0.00 0.00 56.01 54.23 3ifw n LEU 3 Cb 0.58 -0.88 -0.06 0.00 -2.33 0.00 0.00 43.42 40.73 3ifw n LEU 3 CO 0.22 -1.57 0.29 -0.54 -1.33 0.00 0.00 177.39 174.46 3ifw s LYS 4 N -5.40 4.14 0.34 3.23 1.02 -1.26 -4.64 119.74 117.17 3ifw s LYS 4 Ca 0.64 0.69 -0.29 0.00 0.02 0.00 0.00 55.97 57.03 3ifw s LYS 4 Cb -0.03 -3.07 -0.11 0.00 -0.52 0.00 0.00 37.83 34.09 3ifw s LYS 4 CO 0.46 0.54 1.53 -2.30 -0.92 0.00 0.00 175.35 174.67 3ifw n PRO 5 N 1.24 2.67 -3.75 -1.68 -0.02 -1.26 -4.83 135.00 127.37 3ifw n PRO 5 Ca -0.07 0.94 -0.37 0.00 -2.02 0.00 0.00 63.50 61.99 3ifw n PRO 5 Cb 0.51 -2.69 -0.11 0.00 -0.02 0.00 0.00 33.50 31.19 3ifw n PRO 5 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3ifw s MET 6 N -1.37 3.84 0.17 -0.52 1.75 -1.26 -4.88 119.30 117.02 3ifw s MET 6 Ca 0.58 -0.39 -0.32 0.00 -1.25 0.00 0.00 55.69 54.32 3ifw s MET 6 Cb -0.49 -3.42 -0.10 0.00 2.84 0.00 0.00 34.83 33.65 3ifw s MET 6 CO 0.57 -0.08 1.62 -2.00 -0.65 0.00 0.00 175.02 174.49 3ifw s GLU 7 N 1.37 4.19 -1.13 4.11 2.12 -1.26 -4.90 118.70 123.19 3ifw s GLU 7 Ca 0.06 2.43 -0.22 0.00 0.36 0.00 0.00 54.97 57.60 3ifw s GLU 7 Cb -0.15 -3.19 -0.01 0.00 0.26 0.00 0.00 34.13 31.04 3ifw s GLU 7 CO 0.05 -0.66 1.81 -1.50 -0.54 0.00 0.00 175.26 174.41 3ifw s ILE 8 N 1.35 3.74 -0.07 -3.70 2.07 -1.26 -4.76 121.20 118.57 3ifw s ILE 8 Ca 0.72 -1.06 -0.02 0.00 -1.41 0.00 0.00 60.65 58.88 3ifw s ILE 8 Cb -0.45 -4.71 0.03 0.00 0.13 0.00 0.00 42.46 37.46 3ifw s ILE 8 CO 0.32 -1.42 0.05 0.21 -1.91 0.00 0.00 174.94 172.18 3ifw s ASN 9 N 5.93 1.52 0.23 4.50 3.84 -1.26 -5.00 114.94 124.70 3ifw s ASN 9 Ca 0.61 -0.10 -0.15 0.00 0.21 0.00 0.00 52.86 53.43 3ifw s ASN 9 Cb -0.01 -0.27 0.27 0.00 -0.55 0.00 0.00 41.25 40.69 3ifw s ASN 9 CO 0.05 -0.25 1.58 -0.65 -2.79 0.00 0.00 177.10 175.04 3ifw h PRO 10 N 8.39 -0.04 -0.00 0.43 0.11 -1.89 0.18 132.00 139.17 3ifw h PRO 10 Ca -0.15 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.99 3ifw h PRO 10 Cb 1.13 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 3ifw h PRO 10 CO 0.21 -0.03 -0.22 1.49 -0.21 0.00 0.00 178.00 179.24 3ifw h GLU 11 N -0.05 -0.34 -0.66 1.05 4.81 -1.97 0.20 114.58 117.63 3ifw h GLU 11 Ca 0.34 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.52 3ifw h GLU 11 Cb 0.60 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 3ifw h GLU 11 CO -0.86 -0.22 0.11 0.52 -0.73 0.00 0.00 179.01 177.84 3ifw h MET 12 N -0.35 1.07 -0.49 1.92 2.86 -1.76 -1.00 114.93 117.19 3ifw h MET 12 Ca 0.06 -0.28 -0.07 0.00 -2.06 0.00 0.00 59.70 57.36 3ifw h MET 12 Cb 0.43 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 3ifw h MET 12 CO -0.20 0.98 0.02 -0.07 1.06 0.00 0.00 176.91 178.70 3ifw h LEU 13 N 1.01 0.76 -0.83 1.22 4.07 -0.65 -1.69 115.31 119.20 3ifw h LEU 13 Ca 0.20 -0.17 -0.12 0.00 0.08 0.00 0.00 57.88 57.86 3ifw h LEU 13 Cb 0.42 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 3ifw h LEU 13 CO 0.01 0.81 -0.51 0.78 -1.08 0.00 0.00 178.44 178.45 3ifw h ASN 14 N 0.75 0.20 -0.88 -0.43 2.35 -0.70 -2.67 115.58 114.20 3ifw h ASN 14 Ca 0.15 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 3ifw h ASN 14 Cb 0.43 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.70 3ifw h ASN 14 CO 0.02 0.68 0.47 0.11 -1.65 0.00 0.00 177.43 177.05 3ifw h LYS 15 N 0.14 1.24 -0.66 0.81 6.56 -0.56 -1.84 116.57 122.27 3ifw h LYS 15 Ca 0.00 -0.16 -0.07 0.00 -1.06 0.00 0.00 60.65 59.37 3ifw h LYS 15 Cb 0.95 -0.24 -0.03 0.00 -0.57 0.00 0.00 32.23 32.35 3ifw h LYS 15 CO 0.08 0.92 0.13 0.28 -2.06 0.00 0.00 179.45 178.80 3ifw h VAL 16 N 1.24 1.26 -0.90 0.50 2.07 -1.17 -2.16 116.25 117.09 3ifw h VAL 16 Ca 0.31 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.86 3ifw h VAL 16 Cb 0.05 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 3ifw h VAL 16 CO -0.05 0.37 0.59 -0.07 0.02 0.00 0.00 177.57 178.44 3ifw h LEU 17 N 1.00 1.00 -0.12 2.57 3.38 -1.18 -1.36 115.31 120.60 3ifw h LEU 17 Ca 0.20 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3ifw h LEU 17 Cb 0.40 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3ifw h LEU 17 CO 0.01 0.71 0.05 1.88 0.09 0.00 0.00 178.44 181.17 3ifw h TYR 18 N 1.18 0.18 0.00 1.13 0.99 -1.10 0.01 116.97 119.36 3ifw h TYR 18 Ca 0.35 -0.01 -0.06 0.00 2.00 0.00 0.00 58.73 61.00 3ifw h TYR 18 Cb -0.06 -0.05 -0.01 0.00 1.00 0.00 0.00 36.73 37.61 3ifw h TYR 18 CO -0.01 0.27 -0.28 0.00 -0.00 0.00 0.00 178.16 178.14 3ifw h ARG 19 N 0.03 0.00 -0.00 4.88 3.08 -1.18 -1.59 114.38 119.60 3ifw h ARG 19 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3ifw h ARG 19 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3ifw h ARG 19 CO -0.00 0.28 -0.08 1.28 -1.07 0.00 0.00 179.97 180.38 3ifw n LEU 20 N -4.17 0.49 0.00 3.04 4.77 -0.53 -4.79 117.00 115.80 3ifw n LEU 20 Ca -0.02 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3ifw n LEU 20 Cb 0.33 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3ifw n LEU 20 CO 0.37 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 3ifw n GLY 21 N 1.23 0.55 3.73 -0.72 0.00 -0.60 -2.46 105.19 106.92 3ifw n GLY 21 Ca 0.16 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 3ifw n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ifw s VAL 22 N -2.00 4.17 0.28 1.61 1.01 -0.04 -0.96 120.40 124.48 3ifw s VAL 22 Ca 0.00 1.73 0.08 0.00 0.00 0.00 0.00 61.98 63.79 3ifw s VAL 22 Cb 0.00 -4.11 -0.06 0.00 0.00 0.00 0.00 36.38 32.22 3ifw s VAL 22 CO 0.00 0.23 -0.10 0.00 0.00 0.00 0.00 175.10 175.23 3ifw s ALA 23 N 0.29 2.49 0.00 5.51 0.00 0.08 -4.53 121.76 125.59 3ifw s ALA 23 Ca 0.51 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.57 3ifw s ALA 23 Cb -0.27 0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.87 3ifw s ALA 23 CO 0.32 0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.52 3ifw n GLY 24 N -0.60 0.33 1.21 0.00 0.00 -1.26 -2.21 105.19 102.65 3ifw n GLY 24 Ca -0.06 -2.27 0.12 0.00 0.00 0.00 0.00 46.02 43.81 3ifw n GLY 24 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ifw n GLN 25 N 0.00 2.56 -3.06 1.61 6.02 -1.26 -4.94 117.38 118.31 3ifw n GLN 25 Ca 0.00 -2.38 -0.40 0.00 -0.01 0.00 0.00 57.00 54.20 3ifw n GLN 25 Cb 0.00 -1.53 -0.05 0.00 1.02 0.00 0.00 30.24 29.68 3ifw n GLN 25 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3ifw s TRP 26 N -1.38 3.43 0.05 1.08 0.52 -1.26 -3.44 118.94 117.94 3ifw s TRP 26 Ca 0.41 1.07 0.02 0.00 0.02 0.00 0.00 56.10 57.62 3ifw s TRP 26 Cb 0.23 -2.84 -0.03 0.00 -1.15 0.00 0.00 33.47 29.69 3ifw s TRP 26 CO 0.32 -0.12 -0.07 1.03 0.02 0.00 0.00 176.95 178.13 3ifw s ARG 27 N 1.70 0.53 0.17 4.98 1.81 -0.66 -4.91 118.95 122.57 3ifw s ARG 27 Ca 0.33 -0.82 -0.30 0.00 -1.72 0.00 0.00 55.73 53.22 3ifw s ARG 27 Cb -0.16 -0.20 -0.07 0.00 -0.45 0.00 0.00 34.95 34.06 3ifw s ARG 27 CO 0.12 0.02 1.06 -0.06 -0.68 0.00 0.00 175.30 175.76 3ifw s PHE 28 N -1.74 3.67 0.04 -0.53 0.40 -1.26 -1.80 117.98 116.76 3ifw s PHE 28 Ca -0.08 1.67 0.06 0.00 -0.60 0.00 0.00 56.93 57.98 3ifw s PHE 28 Cb -0.08 -3.21 -0.02 0.00 0.51 0.00 0.00 43.02 40.23 3ifw s PHE 28 CO -0.01 -0.35 -0.16 0.08 0.70 0.00 0.00 175.22 175.48 3ifw s VAL 29 N -0.27 1.27 0.50 -0.44 1.01 0.54 -4.72 120.40 118.29 3ifw s VAL 29 Ca 0.48 -1.04 -0.23 0.00 0.00 0.00 0.00 61.98 61.19 3ifw s VAL 29 Cb -0.28 -1.13 -0.06 0.00 0.00 0.00 0.00 36.38 34.91 3ifw s VAL 29 CO 0.34 0.07 1.35 -1.81 0.00 0.00 0.00 175.10 175.05 3ifw s ASP 30 N -1.13 5.58 -0.17 3.32 -0.00 -1.26 -0.42 116.67 122.59 3ifw s ASP 30 Ca 0.03 2.75 -0.00 0.00 -0.00 0.00 0.00 52.55 55.32 3ifw s ASP 30 Cb -0.08 -2.64 -0.00 0.00 -0.00 0.00 0.00 42.92 40.20 3ifw s ASP 30 CO 0.01 -1.36 -0.13 -0.69 -0.00 0.00 0.00 175.17 173.00 3ifw s VAL 31 N -1.30 2.80 -0.14 -1.27 1.01 -0.88 -4.75 120.40 115.87 3ifw s VAL 31 Ca 0.67 -0.72 0.22 0.00 0.00 0.00 0.00 61.98 62.15 3ifw s VAL 31 Cb -0.40 -2.20 -0.16 0.00 0.00 0.00 0.00 36.38 33.62 3ifw s VAL 31 CO 0.48 0.50 0.76 0.18 0.00 0.00 0.00 175.10 177.03 3ifw n LEU 32 N 4.16 0.46 -3.90 3.92 4.77 -1.26 -4.58 117.00 120.56 3ifw n LEU 32 Ca -0.19 0.18 -0.09 0.00 -0.03 0.00 0.00 56.01 55.88 3ifw n LEU 32 Cb 0.52 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 3ifw n LEU 32 CO 0.29 -0.08 0.38 -0.83 -1.33 0.00 0.00 177.39 175.82 3ifw s GLY 33 N -4.48 0.41 -0.05 -0.72 0.00 -1.26 -5.06 107.32 96.17 3ifw s GLY 33 Ca -0.04 -0.74 0.09 0.00 0.00 0.00 0.00 44.72 44.03 3ifw s GLY 33 CO 0.84 -0.40 1.16 1.04 0.00 0.00 0.00 173.10 175.75 3ifw n LEU 34 N -0.48 2.61 -4.87 0.66 4.77 -1.26 -4.53 117.00 113.90 3ifw n LEU 34 Ca -0.04 -2.32 -0.21 0.00 -0.03 0.00 0.00 56.01 53.41 3ifw n LEU 34 Cb 0.60 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 3ifw n LEU 34 CO 0.22 0.63 -0.06 -1.83 -1.33 0.00 0.00 177.39 175.02 3ifw s GLU 35 N -1.56 2.80 0.20 3.23 4.04 -1.26 -4.77 118.70 121.38 3ifw s GLU 35 Ca 0.18 -1.24 -0.11 0.00 0.04 0.00 0.00 54.97 53.85 3ifw s GLU 35 Cb 0.13 -2.53 0.25 0.00 0.02 0.00 0.00 34.13 32.00 3ifw s GLU 35 CO 0.07 0.10 1.73 0.93 -1.84 0.00 0.00 175.26 176.25 3ifw h GLU 36 N 1.20 0.31 0.00 -4.83 3.07 -1.98 -2.05 114.58 110.30 3ifw h GLU 36 Ca -0.45 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 3ifw h GLU 36 Cb 1.25 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 3ifw h GLU 36 CO 0.58 0.20 0.00 0.93 -1.40 0.00 0.00 179.01 179.32 3ifw h GLU 37 N 0.31 0.00 0.11 2.33 5.08 -1.98 0.13 114.58 120.56 3ifw h GLU 37 Ca 0.29 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.31 3ifw h GLU 37 Cb 0.39 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3ifw h GLU 37 CO -0.33 0.00 -1.84 0.77 -1.00 0.00 0.00 179.01 176.60 3ifw h SER 38 N 0.00 0.37 0.76 1.42 0.02 -1.77 -3.34 113.55 111.02 3ifw h SER 38 Ca 0.00 -0.73 -0.01 0.00 -0.84 0.00 0.00 61.79 60.21 3ifw h SER 38 Cb 0.51 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 3ifw h SER 38 CO 0.00 1.64 -0.07 -0.07 -1.14 0.00 0.00 176.83 177.19 3ifw h LEU 39 N 0.06 0.00 -1.21 5.07 3.38 -1.10 -2.64 115.31 118.88 3ifw h LEU 39 Ca -0.36 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 3ifw h LEU 39 Cb 2.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.79 3ifw h LEU 39 CO 0.11 0.07 -0.14 1.23 0.09 0.00 0.00 178.44 179.80 3ifw h GLY 40 N 1.59 0.00 1.41 0.83 0.00 -1.09 -2.86 103.07 102.96 3ifw h GLY 40 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ifw h GLY 40 CO 0.01 0.00 -0.19 -1.14 0.00 0.00 0.00 176.54 175.21 3ifw n SER 41 N -3.29 0.27 -4.71 0.19 3.41 -0.99 -4.80 113.62 103.70 3ifw n SER 41 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.20 3ifw n SER 41 Cb 0.39 -0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.15 3ifw n SER 41 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3ifw s VAL 42 N -2.88 4.82 0.31 -3.33 1.01 -1.08 -5.01 120.40 114.24 3ifw s VAL 42 Ca 0.16 1.99 -0.29 0.00 0.00 0.00 0.00 61.98 63.85 3ifw s VAL 42 Cb 0.19 -4.29 -0.13 0.00 0.00 0.00 0.00 36.38 32.15 3ifw s VAL 42 CO 0.57 0.20 1.35 -2.65 0.00 0.00 0.00 175.10 174.57 3ifw n PRO 43 N 3.66 2.15 -4.50 2.72 -0.02 -1.26 -4.98 135.00 132.77 3ifw n PRO 43 Ca 0.04 0.76 -0.34 0.00 -2.02 0.00 0.00 63.50 61.94 3ifw n PRO 43 Cb 0.51 -2.37 -0.10 0.00 -0.02 0.00 0.00 33.50 31.51 3ifw n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ifw s ALA 44 N -0.73 3.11 0.45 3.55 0.00 -1.26 -3.95 121.76 122.93 3ifw s ALA 44 Ca 0.59 -0.88 -0.13 0.00 0.00 0.00 0.00 51.96 51.55 3ifw s ALA 44 Cb -0.58 -1.32 -0.07 0.00 0.00 0.00 0.00 23.12 21.15 3ifw s ALA 44 CO 0.58 0.59 0.85 -1.25 0.00 0.00 0.00 175.76 176.53 3ifw s PRO 45 N -0.95 3.83 -0.13 0.00 0.04 -1.26 -4.83 135.00 131.71 3ifw s PRO 45 Ca 0.14 0.65 -0.02 0.00 0.04 0.00 0.00 61.00 61.80 3ifw s PRO 45 Cb -0.11 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 3ifw s PRO 45 CO 0.03 -0.13 -0.05 0.00 0.04 0.00 0.00 177.00 176.88 3ifw s ALA 46 N -2.48 2.98 -0.63 8.56 0.00 -1.25 -2.58 121.76 126.35 3ifw s ALA 46 Ca 0.54 -0.84 0.11 0.00 0.00 0.00 0.00 51.96 51.77 3ifw s ALA 46 Cb -0.10 -1.44 -0.10 0.00 0.00 0.00 0.00 23.12 21.48 3ifw s ALA 46 CO 0.32 0.32 0.51 0.00 0.00 0.00 0.00 175.76 176.92 3ifw s ALA 48 N -1.95 -1.41 -0.12 0.00 0.00 -1.22 -4.37 121.76 112.68 3ifw s ALA 48 Ca 0.05 1.25 0.02 0.00 0.00 0.00 0.00 51.96 53.27 3ifw s ALA 48 Cb 0.09 -0.40 0.02 0.00 0.00 0.00 0.00 23.12 22.82 3ifw s ALA 48 CO 0.43 -0.30 -0.16 -1.17 0.00 0.00 0.00 175.76 174.55 3ifw s LEU 49 N -0.56 1.79 -0.21 0.00 2.96 -0.33 -0.93 118.68 121.40 3ifw s LEU 49 Ca -0.07 -0.47 -0.07 0.00 -0.22 0.00 0.00 54.13 53.31 3ifw s LEU 49 Cb -0.03 -1.17 -0.03 0.00 0.50 0.00 0.00 46.19 45.45 3ifw s LEU 49 CO 0.05 0.01 0.04 -0.22 -1.32 0.00 0.00 176.35 174.91 3ifw s LEU 50 N 1.06 3.53 -0.09 -0.68 2.96 0.23 0.04 118.68 125.73 3ifw s LEU 50 Ca -0.04 -0.09 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 3ifw s LEU 50 Cb -0.15 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 3ifw s LEU 50 CO -0.04 0.08 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.71 3ifw s LEU 51 N 0.91 2.64 -0.09 -0.68 2.96 0.00 -1.25 118.68 123.16 3ifw s LEU 51 Ca 0.03 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 3ifw s LEU 51 Cb -0.14 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 3ifw s LEU 51 CO 0.02 0.25 -0.08 -0.22 -1.32 0.00 0.00 176.35 175.00 3ifw s LEU 52 N -0.15 3.05 0.06 -0.68 0.20 0.16 -1.00 118.68 120.32 3ifw s LEU 52 Ca -0.01 -0.11 -0.13 0.00 0.69 0.00 0.00 54.13 54.56 3ifw s LEU 52 Cb -0.14 -1.68 0.02 0.00 -0.43 0.00 0.00 46.19 43.97 3ifw s LEU 52 CO 0.03 0.29 0.30 0.72 -0.29 0.00 0.00 176.35 177.41 3ifw s PHE 53 N -0.40 -0.08 0.08 5.38 -0.12 -0.92 -1.66 117.98 120.27 3ifw s PHE 53 Ca 0.05 -0.12 -0.31 0.00 -0.05 0.00 0.00 56.93 56.51 3ifw s PHE 53 Cb -0.12 0.09 -0.07 0.00 -0.63 0.00 0.00 43.02 42.29 3ifw s PHE 53 CO 0.02 -0.54 1.38 -2.14 -0.05 0.00 0.00 175.22 173.90 3ifw s PRO 54 N -2.90 4.32 -1.21 1.99 0.02 -1.26 -1.36 135.00 134.60 3ifw s PRO 54 Ca -0.03 2.03 -0.18 0.00 0.02 0.00 0.00 61.00 62.85 3ifw s PRO 54 Cb 0.00 -3.34 0.10 0.00 0.02 0.00 0.00 34.50 31.28 3ifw s PRO 54 CO -0.06 -0.46 1.57 -1.17 -0.33 0.00 0.00 177.00 176.55 3ifw s LEU 55 N 1.44 4.22 0.55 -5.54 2.96 -0.61 -4.90 118.68 116.80 3ifw s LEU 55 Ca 0.64 -2.44 0.00 0.00 -0.22 0.00 0.00 54.13 52.12 3ifw s LEU 55 Cb -0.35 -2.52 0.03 0.00 0.50 0.00 0.00 46.19 43.86 3ifw s LEU 55 CO 0.29 -1.09 0.79 0.42 -1.32 0.00 0.00 176.35 175.44 3ifw s THR 56 N 3.48 2.76 0.25 3.68 -4.23 -1.26 -4.91 115.64 115.41 3ifw s THR 56 Ca 0.48 -0.61 -0.01 0.00 -1.18 0.00 0.00 61.69 60.38 3ifw s THR 56 Cb 0.01 -3.05 0.06 0.00 1.34 0.00 0.00 72.50 70.86 3ifw s THR 56 CO 0.02 -0.04 1.69 0.00 -0.54 0.00 0.00 174.62 175.75 3ifw h ALA 57 N 0.04 1.01 -0.60 3.99 0.00 -1.99 -1.96 119.26 119.76 3ifw h ALA 57 Ca -0.43 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.04 3ifw h ALA 57 Cb 1.29 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3ifw h ALA 57 CO 0.53 0.59 0.02 0.37 0.00 0.00 0.00 179.25 180.76 3ifw h GLN 58 N 0.54 1.04 -0.69 0.00 5.75 -1.99 -1.47 115.11 118.30 3ifw h GLN 58 Ca 0.08 -0.31 -0.03 0.00 -0.15 0.00 0.00 58.65 58.24 3ifw h GLN 58 Cb 0.68 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.10 3ifw h GLN 58 CO 0.05 1.00 0.31 1.25 -2.65 0.00 0.00 178.83 178.79 3ifw h HIS 59 N 0.95 1.01 -0.00 3.99 2.76 -1.88 0.33 115.15 122.30 3ifw h HIS 59 Ca 0.17 -0.06 -0.09 0.00 -2.20 0.00 0.00 60.37 58.19 3ifw h HIS 59 Cb 0.53 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 3ifw h HIS 59 CO 0.04 0.77 -0.44 1.49 -1.30 0.00 0.00 177.93 178.48 3ifw h GLU 60 N 0.96 0.01 -0.21 5.26 4.57 -1.18 -0.85 114.58 123.14 3ifw h GLU 60 Ca 0.23 -0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.25 3ifw h GLU 60 Cb 0.15 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 3ifw h GLU 60 CO -0.03 0.45 -0.49 -0.91 -1.18 0.00 0.00 179.01 176.86 3ifw h ASN 61 N 0.01 0.79 -0.71 1.04 2.35 -1.07 -3.12 115.58 114.87 3ifw h ASN 61 Ca -0.00 -0.56 0.07 0.00 -0.55 0.00 0.00 56.30 55.25 3ifw h ASN 61 Cb 0.79 -0.23 -0.06 0.00 0.05 0.00 0.00 38.32 38.87 3ifw h ASN 61 CO 0.06 1.21 0.39 0.15 -1.65 0.00 0.00 177.43 177.58 3ifw h PHE 62 N 0.40 0.70 -0.69 1.19 3.57 -0.36 -2.57 116.94 119.17 3ifw h PHE 62 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3ifw h PHE 62 Cb 1.10 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 3ifw h PHE 62 CO 0.09 0.31 0.45 0.00 -2.23 0.00 0.00 178.31 176.93 3ifw h ARG 63 N 0.69 0.92 -0.25 1.11 2.47 -1.22 -0.08 114.38 118.01 3ifw h ARG 63 Ca 0.33 -0.06 0.05 0.00 -1.26 0.00 0.00 59.98 59.04 3ifw h ARG 63 Cb 0.26 -0.20 -0.05 0.00 -1.65 0.00 0.00 29.97 28.32 3ifw h ARG 63 CO -0.21 0.62 -0.10 0.87 0.56 0.00 0.00 179.97 181.70 3ifw h LYS 64 N 0.94 -0.05 -0.07 0.04 1.79 -1.40 -0.22 116.57 117.61 3ifw h LYS 64 Ca 0.25 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.56 3ifw h LYS 64 Cb -0.09 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 3ifw h LYS 64 CO -0.05 -0.04 -0.70 0.87 -1.08 0.00 0.00 179.45 178.45 3ifw h LYS 65 N -0.06 0.32 -0.79 3.15 1.79 -1.35 -2.95 116.57 116.68 3ifw h LYS 65 Ca 0.13 -0.25 -0.04 0.00 -2.18 0.00 0.00 60.65 58.31 3ifw h LYS 65 Cb 0.25 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.92 3ifw h LYS 65 CO -0.29 0.89 0.33 0.37 -1.08 0.00 0.00 179.45 179.67 3ifw h GLN 66 N 0.22 1.17 0.28 3.15 4.15 -0.64 -2.44 115.11 121.00 3ifw h GLN 66 Ca -0.02 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.18 3ifw h GLN 66 Cb 1.26 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.75 3ifw h GLN 66 CO 0.11 0.94 -0.13 0.82 -1.93 0.00 0.00 178.83 178.64 3ifw h ILE 67 N 1.15 0.74 -0.06 2.39 2.04 -1.03 -0.86 117.51 121.88 3ifw h ILE 67 Ca 0.27 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.97 3ifw h ILE 67 Cb 0.19 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3ifw h ILE 67 CO -0.02 0.03 0.04 -0.62 0.00 0.00 0.00 178.15 177.57 3ifw n GLU 68 N -5.22 1.12 0.00 2.37 4.71 -1.12 -2.73 120.64 119.77 3ifw n GLU 68 Ca -0.10 -0.20 0.00 0.00 -0.01 0.00 0.00 57.16 56.85 3ifw n GLU 68 Cb 0.19 -1.16 0.00 0.00 -1.01 0.00 0.00 31.44 29.46 3ifw n GLU 68 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 3ifw n GLU 69 N 0.33 0.87 -0.41 3.49 0.00 -0.93 -4.74 120.64 119.25 3ifw n GLU 69 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.20 3ifw n GLU 69 Cb 0.53 -0.77 0.00 0.00 0.00 0.00 0.00 31.44 31.20 3ifw n GLU 69 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3ifw n LEU 70 N -1.75 4.54 0.00 4.31 4.32 -0.35 -4.74 117.00 123.33 3ifw n LEU 70 Ca 0.00 -2.06 0.00 0.00 -0.02 0.00 0.00 56.01 53.93 3ifw n LEU 70 Cb 0.27 -0.95 0.00 0.00 -1.62 0.00 0.00 43.42 41.12 3ifw n LEU 70 CO 0.00 0.85 0.39 0.29 -1.22 0.00 0.00 177.39 177.70 3ifw n LYS 71 N 1.49 0.00 -2.65 3.23 5.02 -1.26 -3.35 118.16 120.64 3ifw n LYS 71 Ca 0.00 0.78 -0.21 0.00 -2.02 0.00 0.00 58.31 56.86 3ifw n LYS 71 Cb 0.44 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 3ifw n LYS 71 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ifw n GLY 72 N -0.99 4.51 3.74 0.72 0.00 -1.26 -5.09 105.19 106.82 3ifw n GLY 72 Ca 0.00 -2.28 -0.33 0.00 0.00 0.00 0.00 46.02 43.41 3ifw n GLY 72 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ifw s GLN 73 N -3.33 2.22 -0.32 1.61 -2.07 -1.21 -4.99 119.66 111.56 3ifw s GLN 73 Ca 0.42 1.56 -0.23 0.00 -1.82 0.00 0.00 55.36 55.29 3ifw s GLN 73 Cb 0.40 -1.86 0.00 0.00 -1.09 0.00 0.00 33.01 30.45 3ifw s GLN 73 CO -0.11 -1.73 0.76 -2.00 -1.32 0.00 0.00 175.29 170.88 3ifw s GLU 74 N -4.15 3.88 -0.17 9.60 2.56 -1.26 -5.04 118.70 124.12 3ifw s GLU 74 Ca 0.70 0.44 -0.02 0.00 0.00 0.00 0.00 54.97 56.08 3ifw s GLU 74 Cb -0.25 -3.75 -0.01 0.00 2.00 0.00 0.00 34.13 32.12 3ifw s GLU 74 CO 0.47 -0.71 -0.08 0.08 -0.56 0.00 0.00 175.26 174.46 3ifw s VAL 75 N 2.93 3.33 0.14 3.70 1.01 -1.26 -4.80 120.40 125.46 3ifw s VAL 75 Ca 0.31 -0.53 -0.31 0.00 0.00 0.00 0.00 61.98 61.44 3ifw s VAL 75 Cb -0.14 -2.46 -0.08 0.00 0.00 0.00 0.00 36.38 33.69 3ifw s VAL 75 CO 0.14 0.47 1.40 -0.55 0.00 0.00 0.00 175.10 176.56 3ifw s SER 76 N 0.86 6.81 0.00 3.32 0.15 -1.26 -4.89 113.70 118.68 3ifw s SER 76 Ca -0.02 2.38 0.06 0.00 0.70 0.00 0.00 55.95 59.06 3ifw s SER 76 Cb -0.15 -2.59 0.25 0.00 -1.71 0.00 0.00 66.02 61.82 3ifw s SER 76 CO 0.01 -0.65 1.15 -0.81 1.20 0.00 0.00 173.24 174.13 3ifw n PRO 77 N 3.69 0.02 0.09 5.44 -0.04 -1.26 -1.71 135.00 141.23 3ifw n PRO 77 Ca 0.11 0.36 0.13 0.00 -0.04 0.00 0.00 63.50 64.06 3ifw n PRO 77 Cb 0.42 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.75 3ifw n PRO 77 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3ifw n LYS 78 N -1.45 0.26 -2.37 0.54 4.81 -1.26 -4.79 118.16 113.89 3ifw n LYS 78 Ca 0.02 0.18 -0.42 0.00 -0.87 0.00 0.00 58.31 57.22 3ifw n LYS 78 Cb 0.06 -1.77 -0.03 0.00 0.02 0.00 0.00 35.03 33.31 3ifw n LYS 78 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3ifw s VAL 79 N -3.11 4.02 -0.33 3.15 1.01 -0.69 -5.01 120.40 119.44 3ifw s VAL 79 Ca 0.10 1.39 -0.21 0.00 0.00 0.00 0.00 61.98 63.26 3ifw s VAL 79 Cb 0.13 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 3ifw s VAL 79 CO 0.62 0.01 0.66 -0.47 0.00 0.00 0.00 175.10 175.92 3ifw s TYR 80 N 2.12 3.18 -0.03 5.22 6.14 -1.26 -5.03 117.35 127.68 3ifw s TYR 80 Ca 0.59 0.51 0.01 0.00 0.64 0.00 0.00 57.07 58.83 3ifw s TYR 80 Cb -0.28 -3.11 0.02 0.00 0.42 0.00 0.00 41.96 39.00 3ifw s TYR 80 CO 0.24 -0.57 -0.05 0.12 0.64 0.00 0.00 175.55 175.93 3ifw s PHE 81 N 2.74 0.71 0.05 4.97 5.36 -1.26 -4.82 117.98 125.73 3ifw s PHE 81 Ca 0.26 -0.18 0.06 0.00 -0.96 0.00 0.00 56.93 56.11 3ifw s PHE 81 Cb -0.14 -0.60 -0.03 0.00 -0.34 0.00 0.00 43.02 41.91 3ifw s PHE 81 CO 0.14 -0.15 -0.17 0.00 -1.46 0.00 0.00 175.22 173.58 3ifw s MET 82 N 0.67 1.10 0.36 10.12 0.23 -1.26 -3.91 119.30 126.60 3ifw s MET 82 Ca -0.09 -0.89 -0.13 0.00 -1.03 0.00 0.00 55.69 53.55 3ifw s MET 82 Cb -0.12 -1.18 -0.08 0.00 -1.53 0.00 0.00 34.83 31.92 3ifw s MET 82 CO 0.00 0.29 0.76 0.15 -2.03 0.00 0.00 175.02 174.20 3ifw s LYS 83 N -1.32 3.92 -0.20 3.16 1.02 -1.12 -4.27 119.74 120.93 3ifw s LYS 83 Ca 0.04 0.61 -0.19 0.00 0.02 0.00 0.00 55.97 56.45 3ifw s LYS 83 Cb -0.09 -2.40 -0.03 0.00 -0.52 0.00 0.00 37.83 34.79 3ifw s LYS 83 CO 0.02 0.06 0.52 -1.14 -0.92 0.00 0.00 175.35 173.89 3ifw s GLN 84 N -3.37 4.19 0.00 1.68 0.74 0.15 -4.38 119.66 118.67 3ifw s GLN 84 Ca 0.53 0.43 0.00 0.00 0.05 0.00 0.00 55.36 56.37 3ifw s GLN 84 Cb -0.10 -3.56 0.00 0.00 1.10 0.00 0.00 33.01 30.45 3ifw s GLN 84 CO 0.23 -0.15 0.00 0.25 -0.55 0.00 0.00 175.29 175.07 3ifw n THR 85 N 4.54 0.00 -3.31 -0.34 -2.24 -1.26 -4.77 114.28 106.90 3ifw n THR 85 Ca -0.05 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.35 3ifw n THR 85 Cb 0.50 -0.11 -0.06 0.00 -2.10 0.00 0.00 70.33 68.56 3ifw n THR 85 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3ifw s ILE 86 N -1.73 5.17 0.36 2.28 1.01 -1.26 -5.05 121.20 121.98 3ifw s ILE 86 Ca 0.00 0.92 -0.28 0.00 0.00 0.00 0.00 60.65 61.28 3ifw s ILE 86 Cb 0.00 -3.81 -0.12 0.00 0.01 0.00 0.00 42.46 38.54 3ifw s ILE 86 CO 0.00 0.28 1.37 0.61 0.00 0.00 0.00 174.94 177.21 3ifw n GLY 87 N 3.49 0.84 2.41 6.18 0.00 -1.26 -2.92 105.19 113.93 3ifw n GLY 87 Ca -0.07 0.32 -0.15 0.00 0.00 0.00 0.00 46.02 46.12 3ifw n GLY 87 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ifw n ASN 88 N 0.66 -4.76 -0.90 1.61 3.02 -1.26 -1.18 115.26 112.45 3ifw n ASN 88 Ca 0.03 0.31 0.11 0.00 -0.03 0.00 0.00 54.58 55.00 3ifw n ASN 88 Cb 0.37 -3.62 0.10 0.00 -0.61 0.00 0.00 39.78 36.02 3ifw n ASN 88 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3ifw n SER 89 N -0.48 2.89 -0.26 6.41 3.41 -1.15 -4.46 113.62 119.99 3ifw n SER 89 Ca -0.15 -1.93 0.15 0.00 -0.26 0.00 0.00 58.87 56.68 3ifw n SER 89 Cb 0.51 -0.02 0.43 0.00 -0.26 0.00 0.00 64.21 64.87 3ifw n SER 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ifw h GLY 91 N 0.57 -0.28 1.25 0.00 0.00 -1.89 0.29 103.07 103.02 3ifw h GLY 91 Ca 0.46 0.27 -0.21 0.00 0.00 0.00 0.00 47.33 47.85 3ifw h GLY 91 CO -0.20 -0.19 -0.75 -0.84 0.00 0.00 0.00 176.54 174.56 3ifw h THR 92 N -0.32 1.29 -0.88 4.70 2.02 -1.65 -2.19 112.91 115.87 3ifw h THR 92 Ca 0.08 -1.97 0.09 0.00 0.77 0.00 0.00 66.41 65.38 3ifw h THR 92 Cb 0.43 1.96 -0.07 0.00 -1.74 0.00 0.00 68.15 68.73 3ifw h THR 92 CO -0.24 0.62 0.53 0.40 0.37 0.00 0.00 175.52 177.20 3ifw h ILE 93 N 0.51 0.95 -0.48 3.11 1.08 -0.92 0.48 117.51 122.24 3ifw h ILE 93 Ca -0.04 -0.31 -0.02 0.00 -0.39 0.00 0.00 64.86 64.10 3ifw h ILE 93 Cb 1.36 -0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 35.06 3ifw h ILE 93 CO 0.15 0.16 0.24 1.23 -0.69 0.00 0.00 178.15 179.24 3ifw h GLY 94 N 0.90 0.74 0.98 5.37 0.00 -0.23 -0.97 103.07 109.86 3ifw h GLY 94 Ca 0.42 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 3ifw h GLY 94 CO -0.23 0.35 0.19 1.41 0.00 0.00 0.00 176.54 178.26 3ifw h LEU 95 N 0.64 0.73 -0.48 3.11 4.07 -0.83 -0.80 115.31 121.75 3ifw h LEU 95 Ca 0.17 -0.18 0.02 0.00 0.08 0.00 0.00 57.88 57.96 3ifw h LEU 95 Cb 0.11 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.63 3ifw h LEU 95 CO -0.02 0.71 0.30 0.40 -1.08 0.00 0.00 178.44 178.75 3ifw h ILE 96 N 0.70 1.07 -0.89 1.22 2.04 -0.79 0.50 117.51 121.38 3ifw h ILE 96 Ca 0.17 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3ifw h ILE 96 Cb 0.22 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 3ifw h ILE 96 CO -0.01 0.11 0.56 0.45 0.00 0.00 0.00 178.15 179.26 3ifw h HIS 97 N 0.60 1.14 -0.21 1.37 3.86 -0.95 0.33 115.15 121.28 3ifw h HIS 97 Ca 0.19 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.39 3ifw h HIS 97 Cb -0.01 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.07 3ifw h HIS 97 CO -0.06 0.74 0.07 0.00 0.86 0.00 0.00 177.93 179.55 3ifw h ALA 98 N 1.40 0.28 0.13 2.45 0.00 -0.53 -2.94 119.26 120.05 3ifw h ALA 98 Ca 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3ifw h ALA 98 Cb -0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3ifw h ALA 98 CO -0.06 -0.11 -0.06 0.28 0.00 0.00 0.00 179.25 179.29 3ifw h VAL 99 N 0.18 1.02 -0.71 0.00 2.07 -0.61 -3.16 116.25 115.04 3ifw h VAL 99 Ca 0.07 -1.14 0.14 0.00 0.82 0.00 0.00 66.70 66.59 3ifw h VAL 99 Cb 0.21 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 3ifw h VAL 99 CO -0.00 0.25 0.48 0.00 0.02 0.00 0.00 177.57 178.31 3ifw h ALA 100 N -0.07 2.12 -0.59 1.67 0.00 -0.46 0.33 119.26 122.26 3ifw h ALA 100 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ifw h ALA 100 Cb 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3ifw h ALA 100 CO 0.03 -0.31 0.00 0.09 0.00 0.00 0.00 179.25 179.06 3ifw n ASN 101 N -4.47 4.01 -1.75 0.00 3.02 -1.11 -4.15 115.26 110.81 3ifw n ASN 101 Ca 0.13 -2.28 0.03 0.00 -0.03 0.00 0.00 54.58 52.43 3ifw n ASN 101 Cb 0.51 -0.51 0.04 0.00 -0.61 0.00 0.00 39.78 39.20 3ifw n ASN 101 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3ifw n ASN 102 N 1.09 1.24 0.08 6.41 3.02 0.09 -4.88 115.26 122.29 3ifw n ASN 102 Ca 0.22 -2.15 0.10 0.00 -0.03 0.00 0.00 54.58 52.73 3ifw n ASN 102 Cb 0.72 -0.35 0.43 0.00 -0.61 0.00 0.00 39.78 39.97 3ifw n ASN 102 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ifw n GLN 103 N 0.14 0.12 0.14 3.52 6.02 -1.10 -1.00 117.38 125.23 3ifw n GLN 103 Ca 0.08 0.33 0.13 0.00 -0.01 0.00 0.00 57.00 57.53 3ifw n GLN 103 Cb 1.04 -1.72 0.43 0.00 1.02 0.00 0.00 30.24 31.01 3ifw n GLN 103 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 3ifw h ASP 104 N 0.00 0.00 0.00 1.08 -0.00 -1.90 -3.37 116.42 112.24 3ifw h ASP 104 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.03 56.93 3ifw h ASP 104 Cb 0.35 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.66 3ifw h ASP 104 CO 0.00 0.00 -1.38 0.29 -0.00 0.00 0.00 179.24 178.15 3ifw n LYS 105 N -2.41 0.51 -3.66 4.15 5.02 -0.28 -5.04 118.16 116.45 3ifw n LYS 105 Ca 0.04 0.03 -0.35 0.00 -2.02 0.00 0.00 58.31 56.02 3ifw n LYS 105 Cb 0.37 -1.13 -0.05 0.00 -0.02 0.00 0.00 35.03 34.20 3ifw n LYS 105 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ifw s LEU 106 N -5.28 4.36 0.00 -0.35 1.02 -0.17 -4.94 118.68 113.32 3ifw s LEU 106 Ca -0.08 0.68 0.04 0.00 0.02 0.00 0.00 54.13 54.78 3ifw s LEU 106 Cb 0.02 -2.85 0.04 0.00 0.02 0.00 0.00 46.19 43.42 3ifw s LEU 106 CO 0.16 0.21 0.31 0.61 0.02 0.00 0.00 176.35 177.66 3ifw n GLY 107 N 0.98 2.95 3.06 -3.19 0.00 -0.94 -4.66 105.19 103.39 3ifw n GLY 107 Ca -0.09 -2.32 -0.12 0.00 0.00 0.00 0.00 46.02 43.49 3ifw n GLY 107 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ifw s PHE 108 N -2.84 0.61 0.67 1.61 0.08 -1.26 -0.75 117.98 116.10 3ifw s PHE 108 Ca 0.24 -0.57 -0.08 0.00 0.12 0.00 0.00 56.93 56.63 3ifw s PHE 108 Cb -0.02 -0.37 0.03 0.00 -0.57 0.00 0.00 43.02 42.09 3ifw s PHE 108 CO 0.15 -0.12 1.01 -1.83 -0.10 0.00 0.00 175.22 174.33 3ifw s GLU 109 N -1.88 2.65 0.01 0.44 -1.05 -0.14 -4.77 118.70 113.96 3ifw s GLU 109 Ca -0.08 0.09 -0.30 0.00 -0.15 0.00 0.00 54.97 54.53 3ifw s GLU 109 Cb -0.08 -2.14 -0.06 0.00 -0.44 0.00 0.00 34.13 31.41 3ifw s GLU 109 CO -0.01 -1.00 1.50 -0.51 0.95 0.00 0.00 175.26 176.19 3ifw s ASP 110 N -4.39 6.76 0.00 0.83 1.01 -1.26 -2.50 116.67 117.11 3ifw s ASP 110 Ca 0.57 2.23 0.00 0.00 0.71 0.00 0.00 52.55 56.06 3ifw s ASP 110 Cb -0.11 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.26 3ifw s ASP 110 CO 0.47 -0.79 0.00 0.61 0.21 0.00 0.00 175.17 175.67 3ifw n GLY 111 N 3.80 0.51 3.69 0.21 0.00 -1.26 -5.01 105.19 107.12 3ifw n GLY 111 Ca 0.14 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 3ifw n GLY 111 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ifw s SER 112 N -2.82 6.42 0.21 1.61 0.15 -1.04 -4.89 113.70 113.34 3ifw s SER 112 Ca 0.00 2.75 -0.08 0.00 0.70 0.00 0.00 55.95 59.32 3ifw s SER 112 Cb 0.00 -2.56 0.16 0.00 -1.71 0.00 0.00 66.02 61.90 3ifw s SER 112 CO 0.00 -1.01 1.79 0.58 1.20 0.00 0.00 173.24 175.80 3ifw h VAL 113 N 4.80 1.26 -0.32 4.45 2.07 -1.85 -2.20 116.25 124.45 3ifw h VAL 113 Ca -0.46 -0.76 -0.07 0.00 0.82 0.00 0.00 66.70 66.23 3ifw h VAL 113 Cb 1.22 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3ifw h VAL 113 CO 0.95 0.32 -0.05 0.25 0.02 0.00 0.00 177.57 179.05 3ifw h LEU 114 N 1.14 0.61 -0.64 2.57 5.85 -1.83 -2.06 115.31 120.95 3ifw h LEU 114 Ca 0.27 -0.35 0.08 0.00 0.84 0.00 0.00 57.88 58.72 3ifw h LEU 114 Cb 0.17 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 3ifw h LEU 114 CO -0.03 0.81 0.30 0.50 -0.34 0.00 0.00 178.44 179.68 3ifw h LYS 115 N 0.39 0.52 -0.73 1.25 3.64 -1.73 0.57 116.57 120.49 3ifw h LYS 115 Ca 0.09 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 3ifw h LYS 115 Cb 0.53 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 3ifw h LYS 115 CO 0.03 0.34 0.27 0.37 -2.27 0.00 0.00 179.45 178.19 3ifw h GLN 116 N 0.53 1.09 -0.05 1.90 5.75 -1.35 -1.84 115.11 121.14 3ifw h GLN 116 Ca 0.31 -0.20 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 3ifw h GLN 116 Cb 0.31 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 28.68 3ifw h GLN 116 CO -0.25 0.90 0.00 0.35 -2.65 0.00 0.00 178.83 177.18 3ifw h PHE 117 N 1.06 0.09 -0.10 3.99 3.57 -0.52 -1.90 116.94 123.13 3ifw h PHE 117 Ca 0.24 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 3ifw h PHE 117 Cb 0.23 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3ifw h PHE 117 CO 0.02 0.34 -0.28 -0.07 -2.23 0.00 0.00 178.31 176.09 3ifw h LEU 118 N -0.18 0.18 -0.42 0.59 3.38 -0.89 -2.01 115.31 115.95 3ifw h LEU 118 Ca 0.02 -0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 3ifw h LEU 118 Cb 0.30 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3ifw h LEU 118 CO 0.00 0.46 -0.43 -1.28 0.09 0.00 0.00 178.44 177.28 3ifw h SER 119 N 0.16 0.92 1.13 -0.43 0.87 -1.28 -2.28 113.55 112.63 3ifw h SER 119 Ca 0.03 -0.44 -0.07 0.00 -1.23 0.00 0.00 61.79 60.08 3ifw h SER 119 Cb 0.58 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 3ifw h SER 119 CO 0.04 1.21 -0.31 -0.33 -0.53 0.00 0.00 176.83 176.91 3ifw h GLU 120 N 0.68 0.00 -0.23 2.24 5.08 -1.03 -3.30 114.58 118.01 3ifw h GLU 120 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3ifw h GLU 120 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 3ifw h GLU 120 CO 0.10 0.31 0.00 0.25 -1.00 0.00 0.00 179.01 178.67 3ifw n THR 121 N -3.35 0.78 -0.10 1.13 -2.24 -0.78 -4.73 114.28 104.99 3ifw n THR 121 Ca 0.01 -0.89 -0.07 0.00 -2.27 0.00 0.00 64.05 60.82 3ifw n THR 121 Cb 0.53 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 3ifw n THR 121 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3ifw h GLU 122 N 1.76 0.33 -0.01 -0.78 4.81 -1.49 -2.42 114.58 116.79 3ifw h GLU 122 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3ifw h GLU 122 Cb 0.63 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.94 3ifw h GLU 122 CO 0.00 0.22 -0.10 0.36 -0.73 0.00 0.00 179.01 178.75 3ifw n LYS 123 N -4.95 0.97 -1.89 1.92 2.85 -1.26 -4.96 118.16 110.84 3ifw n LYS 123 Ca 0.00 -0.42 -0.31 0.00 -1.05 0.00 0.00 58.31 56.53 3ifw n LYS 123 Cb 0.08 -1.49 0.01 0.00 -0.65 0.00 0.00 35.03 32.99 3ifw n LYS 123 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 3ifw s MET 124 N -2.32 3.50 0.55 -1.58 -1.94 -0.91 -5.07 119.30 111.53 3ifw s MET 124 Ca 0.32 0.70 -0.15 0.00 -1.71 0.00 0.00 55.69 54.84 3ifw s MET 124 Cb 0.20 -2.08 -0.06 0.00 2.01 0.00 0.00 34.83 34.90 3ifw s MET 124 CO 0.44 -0.62 1.01 -1.54 -0.01 0.00 0.00 175.02 174.30 3ifw s SER 125 N -4.20 6.31 0.35 3.03 1.04 -1.26 -4.88 113.70 114.08 3ifw s SER 125 Ca 0.55 1.62 0.10 0.00 0.48 0.00 0.00 55.95 58.70 3ifw s SER 125 Cb -0.11 -2.51 0.87 0.00 0.10 0.00 0.00 66.02 64.37 3ifw s SER 125 CO 0.53 -0.80 1.82 -0.65 0.98 0.00 0.00 173.24 175.12 3ifw h PRO 126 N 0.58 0.62 -0.37 4.02 0.11 -1.97 -0.25 132.00 134.74 3ifw h PRO 126 Ca -0.46 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 3ifw h PRO 126 Cb 1.20 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3ifw h PRO 126 CO 0.60 0.41 0.04 0.93 -0.21 0.00 0.00 178.00 179.77 3ifw h GLU 127 N 0.64 0.62 0.00 1.05 3.07 -1.93 -2.14 114.58 115.89 3ifw h GLU 127 Ca 0.52 -0.18 -0.08 0.00 -0.50 0.00 0.00 59.36 59.12 3ifw h GLU 127 Cb 0.97 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.80 3ifw h GLU 127 CO -0.28 0.70 -0.38 -0.44 -1.40 0.00 0.00 179.01 177.21 3ifw h ASP 128 N 0.46 0.00 0.08 1.42 3.32 -1.68 -2.31 116.42 117.70 3ifw h ASP 128 Ca 0.11 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.03 3ifw h ASP 128 Cb 0.40 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3ifw h ASP 128 CO 0.01 0.38 -0.45 0.03 -1.72 0.00 0.00 179.24 177.49 3ifw h ARG 129 N 0.00 0.45 -0.79 3.56 3.08 -0.95 -2.47 114.38 117.26 3ifw h ARG 129 Ca -0.00 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 3ifw h ARG 129 Cb 0.73 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.76 3ifw h ARG 129 CO 0.05 0.81 0.36 0.00 -1.07 0.00 0.00 179.97 180.12 3ifw h ALA 130 N 1.15 1.14 -0.65 0.04 0.00 -0.88 -2.29 119.26 117.76 3ifw h ALA 130 Ca 0.02 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3ifw h ALA 130 Cb 0.94 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3ifw h ALA 130 CO 0.08 0.64 0.16 0.87 0.00 0.00 0.00 179.25 180.99 3ifw h LYS 131 N 1.13 1.05 -0.35 0.00 1.57 -1.27 -2.81 116.57 115.89 3ifw h LYS 131 Ca 0.27 -0.25 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 3ifw h LYS 131 Cb 0.15 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3ifw h LYS 131 CO -0.03 0.94 -0.19 0.00 -0.57 0.00 0.00 179.45 179.60 3ifw h PHE 133 N 0.59 0.83 -0.17 0.00 3.57 -1.33 -2.22 116.94 118.22 3ifw h PHE 133 Ca 0.09 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 3ifw h PHE 133 Cb 0.66 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 3ifw h PHE 133 CO 0.03 0.72 -0.00 0.93 -2.23 0.00 0.00 178.31 177.75 3ifw h GLU 134 N 0.77 0.25 -0.02 1.11 5.08 -1.32 -2.63 114.58 117.83 3ifw h GLU 134 Ca 0.17 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3ifw h GLU 134 Cb 0.33 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3ifw h GLU 134 CO 0.00 0.28 -0.08 1.63 -1.00 0.00 0.00 179.01 179.84 3ifw n LYS 135 N -4.39 1.67 -3.27 2.33 5.02 -0.91 -4.72 118.16 113.90 3ifw n LYS 135 Ca -0.00 -1.14 -0.46 0.00 -2.02 0.00 0.00 58.31 54.68 3ifw n LYS 135 Cb 0.18 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.69 3ifw n LYS 135 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3ifw s ASN 136 N -2.12 6.80 0.34 4.39 3.84 -0.88 -4.88 114.94 122.43 3ifw s ASN 136 Ca 0.32 -2.68 0.11 0.00 0.21 0.00 0.00 52.86 50.81 3ifw s ASN 136 Cb 0.20 -2.24 0.61 0.00 -0.55 0.00 0.00 41.25 39.27 3ifw s ASN 136 CO 0.38 -0.62 1.77 -0.33 -2.79 0.00 0.00 177.10 175.51 3ifw h GLU 137 N 7.83 0.08 -0.11 0.43 4.39 -1.84 -2.82 114.58 122.54 3ifw h GLU 137 Ca 0.13 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 3ifw h GLU 137 Cb 1.02 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.67 3ifw h GLU 137 CO 0.83 0.46 0.02 0.00 -1.16 0.00 0.00 179.01 179.17 3ifw h ALA 138 N 1.53 0.14 -0.74 3.43 0.00 -1.97 0.21 119.26 121.87 3ifw h ALA 138 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3ifw h ALA 138 Cb 0.73 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3ifw h ALA 138 CO 0.05 -0.21 0.35 0.82 0.00 0.00 0.00 179.25 180.26 3ifw h ILE 139 N -0.04 1.24 -0.61 0.00 2.04 -1.95 -0.53 117.51 117.66 3ifw h ILE 139 Ca 0.03 -0.69 -0.05 0.00 1.00 0.00 0.00 64.86 65.15 3ifw h ILE 139 Cb 0.27 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 3ifw h ILE 139 CO 0.00 0.29 0.19 1.56 0.00 0.00 0.00 178.15 180.19 3ifw h GLN 140 N 1.05 0.93 -0.20 2.37 4.20 -1.34 -2.07 115.11 120.05 3ifw h GLN 140 Ca 0.25 -0.18 -0.17 0.00 0.06 0.00 0.00 58.65 58.62 3ifw h GLN 140 Cb 0.13 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 3ifw h GLN 140 CO -0.03 0.80 -0.56 0.00 -0.67 0.00 0.00 178.83 178.37 3ifw h ALA 141 N 1.30 0.64 -0.48 3.87 0.00 -0.17 -2.51 119.26 121.91 3ifw h ALA 141 Ca 0.20 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 3ifw h ALA 141 Cb 0.27 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3ifw h ALA 141 CO -0.01 0.69 0.15 0.00 0.00 0.00 0.00 179.25 180.08 3ifw h ALA 142 N 0.90 0.63 0.08 0.00 0.00 -0.92 0.86 119.26 120.82 3ifw h ALA 142 Ca 0.01 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.75 3ifw h ALA 142 Cb 1.12 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3ifw h ALA 142 CO 0.11 0.28 -0.17 1.25 0.00 0.00 0.00 179.25 180.72 3ifw h HIS 143 N 0.64 -0.45 -0.10 0.00 6.17 -1.35 -2.63 115.15 117.44 3ifw h HIS 143 Ca 0.16 0.01 -0.11 0.00 0.71 0.00 0.00 60.37 61.14 3ifw h HIS 143 Cb 0.27 0.19 -0.01 0.00 2.52 0.00 0.00 27.41 30.37 3ifw h HIS 143 CO 0.01 -0.25 -0.42 -0.44 0.71 0.00 0.00 177.93 177.54 3ifw h ASP 144 N -0.32 0.24 -0.74 3.26 3.45 -1.34 0.15 116.42 121.13 3ifw h ASP 144 Ca 0.03 -0.10 -0.02 0.00 0.43 0.00 0.00 57.03 57.37 3ifw h ASP 144 Cb 0.35 -0.07 -0.03 0.00 -0.56 0.00 0.00 39.33 39.02 3ifw h ASP 144 CO -0.11 0.64 0.40 0.00 -1.57 0.00 0.00 179.24 178.60 3ifw h ALA 145 N 1.37 0.94 0.21 3.45 0.00 -0.73 -3.14 119.26 121.36 3ifw h ALA 145 Ca 0.02 -0.12 -0.28 0.00 0.00 0.00 0.00 54.91 54.53 3ifw h ALA 145 Cb 0.83 -0.29 0.03 0.00 0.00 0.00 0.00 17.79 18.35 3ifw h ALA 145 CO 0.06 0.46 -1.24 0.28 0.00 0.00 0.00 179.25 178.81 3ifw h VAL 146 N 1.02 1.35 -0.71 0.00 2.07 -1.36 -3.38 116.25 115.24 3ifw h VAL 146 Ca 0.26 -2.62 0.18 0.00 0.82 0.00 0.00 66.70 65.33 3ifw h VAL 146 Cb 0.04 3.09 -0.04 0.00 -1.52 0.00 0.00 31.29 32.86 3ifw h VAL 146 CO -0.04 0.77 0.49 0.00 0.02 0.00 0.00 177.57 178.81 3ifw h ALA 147 N 0.11 2.40 0.00 1.67 0.00 -0.92 -1.30 119.26 121.22 3ifw h ALA 147 Ca -0.22 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 3ifw h ALA 147 Cb 1.96 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.74 3ifw h ALA 147 CO 0.22 -0.60 -0.76 -0.56 0.00 0.00 0.00 179.25 177.54 3ifw h GLN 148 N 0.18 0.00 0.00 0.00 -0.00 -1.71 -3.31 115.11 110.27 3ifw h GLN 148 Ca 0.34 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.99 3ifw h GLN 148 Cb 1.10 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.58 3ifw h GLN 148 CO -0.06 0.34 -0.00 1.49 -0.00 0.00 0.00 178.83 180.60 3ifw h GLU 149 N 0.00 0.00 0.00 0.06 4.22 -1.40 -3.22 114.58 114.24 3ifw h GLU 149 Ca -0.05 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.39 3ifw h GLU 149 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 3ifw h GLU 149 CO 0.05 0.00 0.00 0.41 -2.18 0.00 0.00 179.01 177.29 3ifw n GLY 150 N -1.10 -1.86 3.71 1.92 0.00 -1.25 -5.05 105.19 101.57 3ifw n GLY 150 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 3ifw n GLY 150 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ifw s GLN 151 N -1.52 1.17 -0.54 1.61 1.03 -1.22 -5.09 119.66 115.11 3ifw s GLN 151 Ca 0.00 -0.61 -0.01 0.00 0.04 0.00 0.00 55.36 54.78 3ifw s GLN 151 Cb 0.00 0.42 0.14 0.00 0.03 0.00 0.00 33.01 33.60 3ifw s GLN 151 CO 0.00 -0.53 0.32 0.00 -2.54 0.00 0.00 175.29 172.54 3ifw s ARG 153 N 0.19 2.05 0.00 0.00 0.52 -1.26 -5.01 118.95 115.44 3ifw s ARG 153 Ca 0.15 -1.43 0.21 0.00 -0.52 0.00 0.00 55.73 54.13 3ifw s ARG 153 Cb -0.22 -2.52 0.53 0.00 0.52 0.00 0.00 34.95 33.26 3ifw s ARG 153 CO -0.03 -1.09 1.44 1.55 0.02 0.00 0.00 175.30 177.19 3ifw n VAL 154 N -2.48 0.56 -0.16 3.52 3.14 -1.26 -4.71 118.33 116.95 3ifw n VAL 154 Ca 0.15 -0.68 -0.04 0.00 -2.96 0.00 0.00 64.34 60.81 3ifw n VAL 154 Cb 0.61 0.61 -0.04 0.00 -1.06 0.00 0.00 33.84 33.97 3ifw n VAL 154 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 3ifw n ASP 155 N 1.15 -0.39 0.00 6.55 2.03 -1.26 -4.74 116.55 119.89 3ifw n ASP 155 Ca 0.19 0.67 0.00 0.00 0.52 0.00 0.00 54.79 56.17 3ifw n ASP 155 Cb 0.51 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 3ifw n ASP 155 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 3ifw n ASP 156 N -4.41 0.00 0.00 1.67 4.64 -1.26 -3.68 116.55 113.51 3ifw n ASP 156 Ca 0.01 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.42 3ifw n ASP 156 Cb 0.10 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.18 3ifw n ASP 156 CO 0.00 0.00 0.00 1.17 -0.82 0.00 0.00 177.20 177.55 3ifw n LYS 157 N 0.00 0.00 -1.36 -0.67 4.81 -1.26 -4.86 118.16 114.82 3ifw n LYS 157 Ca 0.00 0.29 -0.53 0.00 -0.87 0.00 0.00 58.31 57.20 3ifw n LYS 157 Cb 0.00 -1.16 -0.11 0.00 0.02 0.00 0.00 35.03 33.78 3ifw n LYS 157 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3ifw n VAL 158 N -1.36 0.04 -3.07 3.15 0.31 -1.24 -4.88 118.33 111.28 3ifw n VAL 158 Ca 0.00 -0.09 -0.40 0.00 -0.01 0.00 0.00 64.34 63.83 3ifw n VAL 158 Cb 0.00 -0.84 -0.06 0.00 -0.91 0.00 0.00 33.84 32.03 3ifw n VAL 158 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3ifw s ASN 159 N 7.26 6.70 0.27 4.52 0.01 -1.26 -5.06 114.94 127.38 3ifw s ASN 159 Ca 1.21 0.85 0.08 0.00 -0.71 0.00 0.00 52.86 54.29 3ifw s ASN 159 Cb -1.25 -2.36 -0.04 0.00 0.41 0.00 0.00 41.25 38.01 3ifw s ASN 159 CO 0.57 -0.34 0.10 -0.36 -1.51 0.00 0.00 177.10 175.56 3ifw s PHE 160 N 2.19 2.86 0.01 2.20 0.08 -1.26 -1.57 117.98 122.48 3ifw s PHE 160 Ca 0.30 -0.20 0.05 0.00 0.12 0.00 0.00 56.93 57.19 3ifw s PHE 160 Cb -0.16 -1.35 -0.02 0.00 -0.57 0.00 0.00 43.02 40.92 3ifw s PHE 160 CO 0.10 0.53 -0.16 -1.58 -0.10 0.00 0.00 175.22 174.01 3ifw s HIS 161 N -2.27 1.38 -0.19 0.36 5.65 -0.46 -4.85 115.29 114.91 3ifw s HIS 161 Ca 0.33 -0.29 -0.11 0.00 0.25 0.00 0.00 55.06 55.24 3ifw s HIS 161 Cb -0.06 -0.86 -0.05 0.00 -1.18 0.00 0.00 32.58 30.42 3ifw s HIS 161 CO 0.22 0.00 0.19 -0.06 -0.65 0.00 0.00 174.74 174.45 3ifw s PHE 162 N -0.51 3.42 0.11 3.88 0.40 -1.26 -2.16 117.98 121.86 3ifw s PHE 162 Ca 0.05 0.41 0.06 0.00 -0.60 0.00 0.00 56.93 56.85 3ifw s PHE 162 Cb -0.07 -2.24 -0.04 0.00 0.51 0.00 0.00 43.02 41.19 3ifw s PHE 162 CO 0.00 0.24 -0.14 0.96 0.70 0.00 0.00 175.22 176.99 3ifw s ILE 163 N 0.48 1.29 -0.07 0.64 -4.36 -0.17 -4.84 121.20 114.18 3ifw s ILE 163 Ca 0.11 -1.66 0.04 0.00 -0.26 0.00 0.00 60.65 58.89 3ifw s ILE 163 Cb -0.12 -1.46 -0.02 0.00 1.25 0.00 0.00 42.46 42.11 3ifw s ILE 163 CO 0.01 -0.39 -0.20 -0.22 0.24 0.00 0.00 174.94 174.37 3ifw s LEU 164 N -2.35 2.35 -0.24 0.37 2.96 -0.76 -0.82 118.68 120.19 3ifw s LEU 164 Ca 0.07 -0.40 -0.07 0.00 -0.22 0.00 0.00 54.13 53.52 3ifw s LEU 164 Cb -0.05 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.15 3ifw s LEU 164 CO 0.03 0.26 0.05 -0.36 -1.32 0.00 0.00 176.35 175.01 3ifw s PHE 165 N -0.24 3.08 0.03 5.38 0.40 0.11 0.21 117.98 126.95 3ifw s PHE 165 Ca -0.00 -0.45 0.01 0.00 -0.60 0.00 0.00 56.93 55.89 3ifw s PHE 165 Cb -0.13 -2.20 -0.02 0.00 0.51 0.00 0.00 43.02 41.18 3ifw s PHE 165 CO 0.03 -0.34 -0.06 1.21 0.70 0.00 0.00 175.22 176.76 3ifw s ASN 166 N 1.47 0.61 -0.17 1.36 2.47 -0.42 -1.18 114.94 119.08 3ifw s ASN 166 Ca 0.06 -0.51 -0.13 0.00 0.42 0.00 0.00 52.86 52.69 3ifw s ASN 166 Cb -0.15 0.06 -0.05 0.00 -1.45 0.00 0.00 41.25 39.66 3ifw s ASN 166 CO 0.03 -0.23 0.27 0.21 -3.72 0.00 0.00 177.10 173.66 3ifw s ASN 167 N -1.47 6.39 -0.04 -4.21 3.84 -1.26 -0.46 114.94 117.73 3ifw s ASN 167 Ca -0.12 0.45 -0.01 0.00 0.21 0.00 0.00 52.86 53.40 3ifw s ASN 167 Cb -0.10 -2.17 0.03 0.00 -0.55 0.00 0.00 41.25 38.46 3ifw s ASN 167 CO -0.00 0.10 0.03 -0.69 -2.79 0.00 0.00 177.10 173.74 3ifw s VAL 168 N 0.53 0.06 -1.97 -5.21 1.01 -0.01 -4.88 120.40 109.92 3ifw s VAL 168 Ca 0.15 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.37 3ifw s VAL 168 Cb -0.13 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.02 3ifw s VAL 168 CO 0.03 0.17 0.00 -0.67 0.00 0.00 0.00 175.10 174.63 3ifw n ASP 169 N 4.74 -5.65 0.00 3.32 -0.08 -1.26 -1.28 116.55 116.34 3ifw n ASP 169 Ca -0.15 0.24 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 3ifw n ASP 169 Cb 0.50 -4.84 0.00 0.00 2.34 0.00 0.00 41.12 39.12 3ifw n ASP 169 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3ifw n GLY 170 N -0.71 0.62 3.18 0.27 0.00 -1.26 -5.07 105.19 102.23 3ifw n GLY 170 Ca -0.23 -0.45 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 3ifw n GLY 170 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ifw s HIS 171 N -2.00 1.40 -0.17 1.61 3.76 -0.40 -2.44 115.29 117.05 3ifw s HIS 171 Ca 0.00 -0.38 -0.24 0.00 -0.15 0.00 0.00 55.06 54.29 3ifw s HIS 171 Cb 0.00 -0.81 -0.02 0.00 1.11 0.00 0.00 32.58 32.86 3ifw s HIS 171 CO 0.00 0.07 0.76 -1.17 -0.85 0.00 0.00 174.74 173.54 3ifw s LEU 172 N -1.32 4.18 -0.05 0.89 2.96 -0.72 -0.83 118.68 123.78 3ifw s LEU 172 Ca 0.03 1.07 0.04 0.00 -0.22 0.00 0.00 54.13 55.05 3ifw s LEU 172 Cb -0.09 -3.11 -0.02 0.00 0.50 0.00 0.00 46.19 43.47 3ifw s LEU 172 CO 0.02 -0.34 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.23 3ifw s TYR 173 N 1.96 2.62 -0.27 5.38 2.02 0.40 -0.20 117.35 129.25 3ifw s TYR 173 Ca 0.35 -0.30 -0.10 0.00 -0.37 0.00 0.00 57.07 56.65 3ifw s TYR 173 Cb -0.16 -1.62 -0.04 0.00 -0.40 0.00 0.00 41.96 39.73 3ifw s TYR 173 CO 0.12 0.07 0.15 -2.00 -1.57 0.00 0.00 175.55 172.33 3ifw s GLU 174 N -0.56 3.87 -0.27 -0.62 2.12 -0.24 -1.30 118.70 121.70 3ifw s GLU 174 Ca 0.08 -0.37 -0.06 0.00 0.36 0.00 0.00 54.97 54.99 3ifw s GLU 174 Cb -0.11 -3.55 0.00 0.00 0.26 0.00 0.00 34.13 30.73 3ifw s GLU 174 CO 0.01 -0.17 0.03 -0.51 -0.54 0.00 0.00 175.26 174.08 3ifw s LEU 175 N 1.69 3.51 -0.14 2.70 1.43 0.13 -1.64 118.68 126.36 3ifw s LEU 175 Ca 0.07 -0.60 -0.03 0.00 -1.03 0.00 0.00 54.13 52.53 3ifw s LEU 175 Cb -0.16 -1.83 0.05 0.00 0.03 0.00 0.00 46.19 44.29 3ifw s LEU 175 CO 0.09 -0.13 0.05 -0.62 0.23 0.00 0.00 176.35 175.97 3ifw s ASP 176 N 1.49 2.22 0.26 2.29 3.68 -1.26 -1.83 116.67 123.51 3ifw s ASP 176 Ca 0.03 -0.49 0.22 0.00 2.13 0.00 0.00 52.55 54.44 3ifw s ASP 176 Cb -0.16 -0.37 0.99 0.00 -1.45 0.00 0.00 42.92 41.93 3ifw s ASP 176 CO 0.00 -0.30 1.66 0.61 0.13 0.00 0.00 175.17 177.28 3ifw n GLY 177 N 5.19 -1.12 0.08 2.66 0.00 -1.26 -1.38 105.19 109.35 3ifw n GLY 177 Ca -0.07 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.18 3ifw n GLY 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ifw n ARG 178 N -2.19 0.25 -2.39 1.61 1.74 -1.26 -0.68 116.66 113.74 3ifw n ARG 178 Ca 0.01 0.14 -0.31 0.00 -0.77 0.00 0.00 57.85 56.92 3ifw n ARG 178 Cb 0.16 -1.72 -0.02 0.00 -1.02 0.00 0.00 32.46 29.86 3ifw n ARG 178 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3ifw s MET 179 N -3.12 3.82 0.51 5.56 -1.94 -0.48 -4.99 119.30 118.66 3ifw s MET 179 Ca 0.09 0.78 0.30 0.00 -1.71 0.00 0.00 55.69 55.14 3ifw s MET 179 Cb 0.13 -2.19 1.04 0.00 2.01 0.00 0.00 34.83 35.83 3ifw s MET 179 CO 0.65 -0.28 1.87 -1.00 -0.01 0.00 0.00 175.02 176.24 3ifw h PRO 180 N 0.69 0.00 -3.51 2.03 0.13 -1.88 -3.47 132.00 125.98 3ifw h PRO 180 Ca -0.46 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 3ifw h PRO 180 Cb 1.19 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.22 3ifw h PRO 180 CO 0.62 0.04 -0.08 -0.59 -0.23 0.00 0.00 178.00 177.77 3ifw s PHE 181 N -3.55 0.14 0.66 1.56 -0.12 -1.26 -5.06 117.98 110.35 3ifw s PHE 181 Ca 0.02 -0.50 -0.16 0.00 -0.05 0.00 0.00 56.93 56.24 3ifw s PHE 181 Cb 0.08 0.26 0.00 0.00 -0.63 0.00 0.00 43.02 42.73 3ifw s PHE 181 CO 0.59 -0.93 1.16 -2.14 -0.05 0.00 0.00 175.22 173.85 3ifw s PRO 182 N -3.94 2.68 -0.31 1.99 0.02 -1.26 -4.76 135.00 129.40 3ifw s PRO 182 Ca 0.15 1.60 -0.09 0.00 0.02 0.00 0.00 61.00 62.68 3ifw s PRO 182 Cb -0.00 -1.92 -0.00 0.00 0.02 0.00 0.00 34.50 32.60 3ifw s PRO 182 CO 0.02 -1.38 0.15 0.08 -0.33 0.00 0.00 177.00 175.54 3ifw s VAL 183 N -2.05 4.54 -0.43 3.83 1.01 -0.65 -4.96 120.40 121.69 3ifw s VAL 183 Ca 0.72 -0.48 -0.27 0.00 0.00 0.00 0.00 61.98 61.94 3ifw s VAL 183 Cb -0.25 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 32.82 3ifw s VAL 183 CO 0.40 0.04 1.02 0.21 0.00 0.00 0.00 175.10 176.77 3ifw s ASN 184 N 1.60 6.63 -0.28 3.32 3.84 -1.26 -1.08 114.94 127.71 3ifw s ASN 184 Ca 0.04 0.44 0.07 0.00 0.21 0.00 0.00 52.86 53.62 3ifw s ASN 184 Cb -0.17 -2.50 0.60 0.00 -0.55 0.00 0.00 41.25 38.63 3ifw s ASN 184 CO 0.06 -1.07 1.62 1.41 -2.79 0.00 0.00 177.10 176.33 3ifw n HIS 185 N 7.31 2.08 -4.08 0.43 8.25 0.72 -5.03 115.22 124.89 3ifw n HIS 185 Ca 0.09 -1.08 0.00 0.00 -0.26 0.00 0.00 57.72 56.47 3ifw n HIS 185 Cb 0.48 -0.62 0.00 0.00 1.12 0.00 0.00 29.99 30.97 3ifw n HIS 185 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ifw n GLY 186 N -0.16 -1.81 3.72 -1.41 0.00 -1.26 -4.72 105.19 99.55 3ifw n GLY 186 Ca 0.35 -1.36 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 3ifw n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ifw n ALA 187 N 0.57 2.07 -3.47 4.61 0.00 -1.26 -1.76 120.51 121.26 3ifw n ALA 187 Ca 0.00 0.38 -0.14 0.00 0.00 0.00 0.00 53.44 53.69 3ifw n ALA 187 Cb 0.00 -2.40 -0.08 0.00 0.00 0.00 0.00 19.45 16.97 3ifw n ALA 187 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ifw s SER 188 N 0.42 -0.59 0.35 0.00 0.15 -1.02 -4.73 113.70 108.27 3ifw s SER 188 Ca 0.65 1.11 -0.04 0.00 0.70 0.00 0.00 55.95 58.37 3ifw s SER 188 Cb -0.55 1.13 -0.05 0.00 -1.71 0.00 0.00 66.02 64.84 3ifw s SER 188 CO 0.49 -0.22 0.61 -0.55 1.20 0.00 0.00 173.24 174.77 3ifw s SER 189 N 0.21 6.38 0.32 5.45 0.15 -1.26 -4.13 113.70 120.83 3ifw s SER 189 Ca -0.01 0.72 0.03 0.00 0.70 0.00 0.00 55.95 57.39 3ifw s SER 189 Cb -0.04 -2.15 0.55 0.00 -1.71 0.00 0.00 66.02 62.67 3ifw s SER 189 CO 0.01 -0.30 1.86 -0.33 1.20 0.00 0.00 173.24 175.68 3ifw h GLU 190 N 1.16 0.61 0.00 5.44 4.39 -1.98 -2.39 114.58 121.82 3ifw h GLU 190 Ca -0.48 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.09 3ifw h GLU 190 Cb 1.20 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.76 3ifw h GLU 190 CO 0.64 0.60 -0.02 -0.44 -1.16 0.00 0.00 179.01 178.63 3ifw h ASP 191 N 0.58 0.00 -0.52 1.42 3.32 -1.95 -3.27 116.42 116.02 3ifw h ASP 191 Ca 0.13 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 3ifw h ASP 191 Cb 0.32 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.80 3ifw h ASP 191 CO 0.01 0.02 0.11 0.35 -1.72 0.00 0.00 179.24 178.01 3ifw n THR 192 N -3.11 2.67 0.14 0.35 -2.24 -0.92 -4.66 114.28 106.51 3ifw n THR 192 Ca 0.03 -1.84 -0.14 0.00 -2.27 0.00 0.00 64.05 59.83 3ifw n THR 192 Cb 0.50 -0.31 -0.08 0.00 -2.10 0.00 0.00 70.33 68.34 3ifw n THR 192 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3ifw h LEU 193 N 2.34 -0.27 -0.44 3.22 5.85 -1.55 -1.12 115.31 123.34 3ifw h LEU 193 Ca 0.14 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.78 3ifw h LEU 193 Cb 1.92 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.99 3ifw h LEU 193 CO 0.50 -0.04 0.23 -0.07 -0.34 0.00 0.00 178.44 178.72 3ifw h LEU 194 N -0.49 0.34 0.08 2.25 3.38 -1.87 0.89 115.31 119.89 3ifw h LEU 194 Ca -0.03 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3ifw h LEU 194 Cb 0.37 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3ifw h LEU 194 CO 0.05 0.25 -0.13 0.50 0.09 0.00 0.00 178.44 179.20 3ifw h LYS 195 N 0.46 -0.25 -0.22 1.13 3.64 -1.88 0.20 116.57 119.66 3ifw h LYS 195 Ca 0.19 0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.46 3ifw h LYS 195 Cb 0.08 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3ifw h LYS 195 CO -0.12 -0.17 -0.39 -0.44 -2.27 0.00 0.00 179.45 176.06 3ifw h ASP 196 N -0.26 0.52 0.08 4.20 3.45 -0.95 -2.03 116.42 121.43 3ifw h ASP 196 Ca 0.02 -0.22 -0.24 0.00 0.43 0.00 0.00 57.03 57.02 3ifw h ASP 196 Cb 0.28 -0.14 0.01 0.00 -0.56 0.00 0.00 39.33 38.91 3ifw h ASP 196 CO -0.07 0.85 -0.94 0.00 -1.57 0.00 0.00 179.24 177.51 3ifw h ALA 197 N 1.17 0.27 -0.29 3.45 0.00 -0.76 -3.13 119.26 119.96 3ifw h ALA 197 Ca 0.04 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 3ifw h ALA 197 Cb 0.86 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3ifw h ALA 197 CO 0.07 0.73 0.02 0.00 0.00 0.00 0.00 179.25 180.07 3ifw h ALA 198 N 0.57 1.49 -0.67 0.00 0.00 -0.50 0.46 119.26 120.60 3ifw h ALA 198 Ca -0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3ifw h ALA 198 Cb 1.57 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 3ifw h ALA 198 CO 0.18 0.37 0.41 -0.22 0.00 0.00 0.00 179.25 179.99 3ifw h LYS 199 N 0.43 0.90 -0.19 0.00 3.64 -1.37 -0.42 116.57 119.57 3ifw h LYS 199 Ca 0.10 -0.07 -0.18 0.00 -1.27 0.00 0.00 60.65 59.22 3ifw h LYS 199 Cb 0.26 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3ifw h LYS 199 CO 0.00 0.63 -0.61 0.28 -2.27 0.00 0.00 179.45 177.49 3ifw h VAL 200 N 0.91 1.31 -0.67 2.00 2.07 -1.37 -3.12 116.25 117.38 3ifw h VAL 200 Ca 0.24 -1.86 -0.00 0.00 0.82 0.00 0.00 66.70 65.90 3ifw h VAL 200 Cb -0.05 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3ifw h VAL 200 CO -0.05 0.58 0.42 0.00 0.02 0.00 0.00 177.57 178.54 3ifw h ARG 202 N 0.92 0.00 -0.22 0.00 3.08 -1.03 -1.79 114.38 115.34 3ifw h ARG 202 Ca 0.24 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.18 3ifw h ARG 202 Cb -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3ifw h ARG 202 CO -0.05 0.19 -0.35 0.93 -1.07 0.00 0.00 179.97 179.62 3ifw h GLU 203 N 0.00 0.46 -0.52 0.04 5.08 -1.25 0.53 114.58 118.92 3ifw h GLU 203 Ca -0.00 -0.21 -0.12 0.00 -1.00 0.00 0.00 59.36 58.03 3ifw h GLU 203 Cb 0.59 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3ifw h GLU 203 CO 0.02 0.75 -0.13 0.74 -1.00 0.00 0.00 179.01 179.39 3ifw h PHE 204 N 0.39 1.13 -0.47 4.33 -1.00 -1.15 -2.52 116.94 117.67 3ifw h PHE 204 Ca 0.04 -0.25 -0.08 0.00 2.81 0.00 0.00 57.97 60.49 3ifw h PHE 204 Cb 0.80 -0.28 -0.02 0.00 3.61 0.00 0.00 35.95 40.07 3ifw h PHE 204 CO 0.03 1.07 -0.04 1.15 -1.61 0.00 0.00 178.31 178.91 3ifw h THR 205 N 0.87 1.27 0.00 -1.55 2.02 -1.16 -3.03 112.91 111.34 3ifw h THR 205 Ca 0.13 -1.12 -0.03 0.00 0.77 0.00 0.00 66.41 66.16 3ifw h THR 205 Cb 0.71 1.05 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 3ifw h THR 205 CO 0.05 0.39 -0.13 -0.33 0.37 0.00 0.00 175.52 175.87 3ifw h GLU 206 N 0.69 0.00 0.00 6.66 5.08 -0.88 -2.74 114.58 123.40 3ifw h GLU 206 Ca 0.13 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.30 3ifw h GLU 206 Cb 0.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3ifw h GLU 206 CO 0.03 0.13 -0.86 0.00 -1.00 0.00 0.00 179.01 177.31 3ifw h ARG 207 N 0.00 0.16 -2.59 2.33 3.08 -1.41 -3.31 114.38 112.65 3ifw h ARG 207 Ca -0.00 -0.17 -0.76 0.00 0.07 0.00 0.00 59.98 59.12 3ifw h ARG 207 Cb 0.77 0.05 -0.31 0.00 0.08 0.00 0.00 29.97 30.56 3ifw h ARG 207 CO 0.02 0.92 0.51 0.39 -1.07 0.00 0.00 179.97 180.74 3ifw n GLU 208 N -3.65 4.30 -0.01 0.04 -0.58 -1.04 -4.98 120.64 114.73 3ifw n GLU 208 Ca -0.03 -4.63 -0.00 0.00 -0.42 0.00 0.00 57.16 52.08 3ifw n GLU 208 Cb 0.80 -2.44 -0.00 0.00 -0.57 0.00 0.00 31.44 29.23 3ifw n GLU 208 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 3ifw n GLN 209 N 0.78 -0.01 0.19 3.49 7.27 -1.22 -1.30 117.38 126.59 3ifw n GLN 209 Ca 0.32 0.87 0.14 0.00 0.07 0.00 0.00 57.00 58.40 3ifw n GLN 209 Cb 0.33 -1.30 0.55 0.00 2.41 0.00 0.00 30.24 32.23 3ifw n GLN 209 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 3ifw h GLY 210 N 0.00 0.00 -4.47 1.69 0.00 -1.94 -3.47 103.07 94.89 3ifw h GLY 210 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3ifw h GLY 210 CO -0.02 0.00 0.64 1.85 0.00 0.00 0.00 176.54 179.01 3ifw s GLU 211 N -3.43 4.39 -0.07 4.80 2.56 -0.42 -4.95 118.70 121.58 3ifw s GLU 211 Ca 0.03 1.93 0.20 0.00 0.00 0.00 0.00 54.97 57.13 3ifw s GLU 211 Cb 0.09 -3.28 -0.27 0.00 2.00 0.00 0.00 34.13 32.67 3ifw s GLU 211 CO 0.47 -0.32 0.40 0.28 -0.56 0.00 0.00 175.26 175.53 3ifw n VAL 212 N 3.74 0.68 -1.18 3.70 0.31 -1.26 -4.82 118.33 119.49 3ifw n VAL 212 Ca 0.09 -0.66 -0.40 0.00 -0.01 0.00 0.00 64.34 63.37 3ifw n VAL 212 Cb 0.44 -0.27 -0.04 0.00 -0.91 0.00 0.00 33.84 33.06 3ifw n VAL 212 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3ifw n ARG 213 N -2.53 1.84 -4.36 5.55 1.74 -1.26 -4.82 116.66 112.82 3ifw n ARG 213 Ca -0.15 -1.91 -0.21 0.00 -0.77 0.00 0.00 57.85 54.81 3ifw n ARG 213 Cb 0.81 -2.91 -0.13 0.00 -1.02 0.00 0.00 32.46 29.22 3ifw n ARG 213 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3ifw s PHE 214 N 4.43 1.34 0.01 -1.55 0.40 -1.26 -4.02 117.98 117.34 3ifw s PHE 214 Ca 0.53 -0.38 -0.06 0.00 -0.60 0.00 0.00 56.93 56.42 3ifw s PHE 214 Cb 0.14 -0.79 -0.00 0.00 0.51 0.00 0.00 43.02 42.88 3ifw s PHE 214 CO 0.06 0.06 0.11 -1.12 0.70 0.00 0.00 175.22 175.03 3ifw s SER 215 N -1.29 0.08 -0.04 1.36 0.01 -0.66 -5.01 113.70 108.14 3ifw s SER 215 Ca 0.02 -0.31 -0.06 0.00 1.31 0.00 0.00 55.95 56.91 3ifw s SER 215 Cb -0.08 0.20 0.01 0.00 0.21 0.00 0.00 66.02 66.36 3ifw s SER 215 CO 0.02 -0.40 0.15 0.00 0.41 0.00 0.00 173.24 173.41 3ifw s ALA 216 N -1.69 -0.36 0.09 1.44 0.00 -1.26 0.35 121.76 120.33 3ifw s ALA 216 Ca -0.13 0.23 0.05 0.00 0.00 0.00 0.00 51.96 52.11 3ifw s ALA 216 Cb -0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 3ifw s ALA 216 CO -0.00 -0.12 -0.14 0.14 0.00 0.00 0.00 175.76 175.64 3ifw s VAL 217 N -0.44 1.14 -0.08 0.00 -7.23 -0.38 -2.06 120.40 111.34 3ifw s VAL 217 Ca -0.05 -1.45 0.04 0.00 -1.81 0.00 0.00 61.98 58.71 3ifw s VAL 217 Cb -0.03 -1.22 -0.01 0.00 0.56 0.00 0.00 36.38 35.67 3ifw s VAL 217 CO 0.01 -0.32 -0.19 0.00 -0.31 0.00 0.00 175.10 174.28 3ifw s ALA 218 N -1.64 2.39 -0.34 1.32 0.00 0.44 -0.60 121.76 123.33 3ifw s ALA 218 Ca 0.02 -0.98 -0.24 0.00 0.00 0.00 0.00 51.96 50.75 3ifw s ALA 218 Cb -0.08 -0.89 0.01 0.00 0.00 0.00 0.00 23.12 22.16 3ifw s ALA 218 CO 0.02 0.39 0.81 -1.17 0.00 0.00 0.00 175.76 175.81 3ifw s LEU 219 N -0.11 4.09 0.05 0.00 2.96 -0.11 -0.34 118.68 125.23 3ifw s LEU 219 Ca -0.04 0.52 -0.11 0.00 -0.22 0.00 0.00 54.13 54.28 3ifw s LEU 219 Cb -0.14 -3.08 0.01 0.00 0.50 0.00 0.00 46.19 43.48 3ifw s LEU 219 CO 0.04 -0.70 0.25 0.00 -1.32 0.00 0.00 176.35 174.61 3ifw s LYS 221 N -2.78 3.19 0.22 0.00 2.20 -1.07 -1.66 119.74 119.85 3ifw s LYS 221 Ca -0.03 -0.57 0.03 0.00 -0.36 0.00 0.00 55.97 55.04 3ifw s LYS 221 Cb -0.00 -3.98 0.18 0.00 -1.51 0.00 0.00 37.83 32.52 3ifw s LYS 221 CO -0.05 -0.99 1.51 0.00 -0.36 0.00 0.00 175.35 175.46 3ifw h ALA 222 N 8.85 0.76 0.00 3.13 0.00 -1.91 -3.41 119.26 126.67 3ifw h ALA 222 Ca -0.26 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.06 3ifw h ALA 222 Cb 1.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3ifw h ALA 222 CO 0.87 0.77 0.00 0.00 0.00 0.00 0.00 179.25 180.90