#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i5f s THR 2 N 0.00 -0.64 0.00 2.03 -4.23 -1.26 -4.69 115.64 106.85 3i5f s THR 2 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 3i5f s THR 2 Cb 0.00 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.84 3i5f s THR 2 CO 0.00 0.00 0.00 0.23 -0.54 0.00 0.00 174.62 174.31 3i5f n MET 3 N 5.23 -0.13 -3.38 3.99 0.00 -1.25 -4.13 117.12 117.45 3i5f n MET 3 Ca -0.08 0.12 -0.12 0.00 0.00 0.00 0.00 57.70 57.62 3i5f n MET 3 Cb 0.52 -0.22 0.01 0.00 0.00 0.00 0.00 33.22 33.53 3i5f n MET 3 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 3i5f n ASP 4 N 1.66 -6.52 0.00 7.83 -0.08 -1.26 -4.76 116.55 113.41 3i5f n ASP 4 Ca 0.00 -0.49 0.00 0.00 -1.51 0.00 0.00 54.79 52.79 3i5f n ASP 4 Cb 0.00 -3.91 0.00 0.00 2.34 0.00 0.00 41.12 39.55 3i5f n ASP 4 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3i5f n PHE 5 N -2.38 0.00 -1.88 -0.67 0.99 -1.26 0.18 117.46 112.45 3i5f n PHE 5 Ca -0.12 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.38 3i5f n PHE 5 Cb 0.58 -0.10 0.15 0.00 -1.00 0.00 0.00 39.48 39.11 3i5f n PHE 5 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 3i5f n SER 6 N -0.95 1.61 -4.72 4.37 7.64 -1.26 -4.25 113.62 116.07 3i5f n SER 6 Ca 0.00 -3.35 -0.42 0.00 1.01 0.00 0.00 58.87 56.11 3i5f n SER 6 Cb 0.18 -0.46 -0.03 0.00 -1.01 0.00 0.00 64.21 62.89 3i5f n SER 6 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i5f s ASP 7 N -2.92 7.16 0.33 6.43 -1.08 0.13 -4.91 116.67 121.82 3i5f s ASP 7 Ca 0.37 1.95 0.11 0.00 -0.52 0.00 0.00 52.55 54.46 3i5f s ASP 7 Cb 0.38 -2.58 0.93 0.00 -1.46 0.00 0.00 42.92 40.19 3i5f s ASP 7 CO -0.09 -0.39 1.73 1.55 0.52 0.00 0.00 175.17 178.49 3i5f h PRO 8 N 6.60 0.52 -0.85 4.34 0.13 -1.96 -0.22 132.00 140.56 3i5f h PRO 8 Ca -0.42 -0.03 0.07 0.00 -0.87 0.00 0.00 66.00 64.75 3i5f h PRO 8 Cb 1.22 -0.12 -0.06 0.00 0.13 0.00 0.00 31.00 32.17 3i5f h PRO 8 CO 0.79 0.35 0.55 -0.44 -0.23 0.00 0.00 178.00 179.02 3i5f h ASP 9 N 0.54 0.81 0.00 1.44 5.19 -1.96 -2.06 116.42 120.37 3i5f h ASP 9 Ca 0.64 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 57.06 3i5f h ASP 9 Cb 1.30 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.64 3i5f h ASP 9 CO -0.44 0.51 0.00 0.23 -3.12 0.00 0.00 179.24 176.42 3i5f n MET 10 N -4.50 0.72 0.22 3.56 2.81 -0.09 -3.96 117.12 115.88 3i5f n MET 10 Ca 0.13 0.00 0.17 0.00 -1.81 0.00 0.00 57.70 56.19 3i5f n MET 10 Cb 0.24 -1.21 0.85 0.00 -0.71 0.00 0.00 33.22 32.38 3i5f n MET 10 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3i5f h GLU 11 N 0.17 0.00 -0.00 0.03 4.81 -1.49 -2.36 114.58 115.74 3i5f h GLU 11 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3i5f h GLU 11 Cb 0.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 3i5f h GLU 11 CO 0.00 0.00 -0.02 1.19 -0.73 0.00 0.00 179.01 179.45 3i5f n PHE 12 N -3.78 0.00 -0.02 0.92 3.01 -1.25 -4.81 117.46 111.52 3i5f n PHE 12 Ca 0.01 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.45 3i5f n PHE 12 Cb 0.29 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.75 3i5f n PHE 12 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3i5f n LEU 13 N -0.06 0.46 -4.81 4.37 4.77 -0.92 -4.04 117.00 116.76 3i5f n LEU 13 Ca 0.01 0.08 -0.28 0.00 -0.03 0.00 0.00 56.01 55.79 3i5f n LEU 13 Cb 0.05 -0.56 -0.05 0.00 -2.33 0.00 0.00 43.42 40.54 3i5f n LEU 13 CO 0.02 -0.45 -0.11 0.00 -1.33 0.00 0.00 177.39 175.53 3i5f n LEU 15 N -1.45 0.00 -4.48 0.00 4.77 -1.26 -4.54 117.00 110.03 3i5f n LEU 15 Ca -0.07 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.67 3i5f n LEU 15 Cb 0.65 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.64 3i5f n LEU 15 CO 0.41 0.00 -0.47 0.42 -1.33 0.00 0.00 177.39 176.42 3i5f s THR 16 N 1.47 2.56 0.64 -5.08 -4.23 -1.26 -4.71 115.64 105.03 3i5f s THR 16 Ca 0.00 -2.35 0.30 0.00 -1.18 0.00 0.00 61.69 58.46 3i5f s THR 16 Cb 0.00 -2.34 0.33 0.00 1.34 0.00 0.00 72.50 71.83 3i5f s THR 16 CO 0.00 -0.39 1.95 0.03 -0.54 0.00 0.00 174.62 175.67 3i5f h ARG 17 N 2.27 0.00 0.00 3.99 3.08 -2.01 -1.17 114.38 120.54 3i5f h ARG 17 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3i5f h ARG 17 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 3i5f h ARG 17 CO 0.60 0.00 -0.02 1.96 -1.07 0.00 0.00 179.97 181.44 3i5f h GLN 18 N 0.00 0.00 -0.93 0.04 1.08 -1.95 -3.22 115.11 110.12 3i5f h GLN 18 Ca 0.06 0.00 0.21 0.00 -1.45 0.00 0.00 58.65 57.46 3i5f h GLN 18 Cb 0.74 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.09 3i5f h GLN 18 CO -0.00 0.00 0.61 -0.22 -0.95 0.00 0.00 178.83 178.27 3i5f h LYS 19 N -0.62 0.45 0.00 1.46 1.63 -1.76 0.22 116.57 117.95 3i5f h LYS 19 Ca 0.00 -0.03 -0.11 0.00 -0.85 0.00 0.00 60.65 59.66 3i5f h LYS 19 Cb 0.02 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.53 3i5f h LYS 19 CO 0.00 0.30 -0.52 1.25 -3.45 0.00 0.00 179.45 177.02 3i5f h LEU 20 N 0.46 0.00 -1.04 5.20 5.85 -1.42 -2.81 115.31 121.56 3i5f h LEU 20 Ca 0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.22 3i5f h LEU 20 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 3i5f h LEU 20 CO -0.22 0.52 0.00 0.24 -0.34 0.00 0.00 178.44 178.65 3i5f h MET 21 N 0.00 0.00 0.00 1.25 2.86 -0.96 -2.33 114.93 115.75 3i5f h MET 21 Ca -0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3i5f h MET 21 Cb 1.27 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.93 3i5f h MET 21 CO 0.07 0.00 -0.18 0.93 1.06 0.00 0.00 176.91 178.79 3i5f h GLU 22 N 0.00 0.00 -0.63 1.72 5.08 -1.22 -2.81 114.58 116.72 3i5f h GLU 22 Ca 0.00 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.48 3i5f h GLU 22 Cb 0.39 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.55 3i5f h GLU 22 CO 0.00 0.17 0.14 0.00 -1.00 0.00 0.00 179.01 178.32 3i5f h ALA 23 N -0.85 0.76 0.00 3.43 0.00 -1.43 0.27 119.26 121.43 3i5f h ALA 23 Ca -0.02 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3i5f h ALA 23 Cb 0.30 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3i5f h ALA 23 CO -0.01 -0.30 -0.05 1.15 0.00 0.00 0.00 179.25 180.04 3i5f h THR 24 N 0.27 0.30 0.00 0.00 2.02 -1.52 -3.20 112.91 110.78 3i5f h THR 24 Ca 0.33 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.22 3i5f h THR 24 Cb 0.51 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 3i5f h THR 24 CO -0.42 0.05 -0.67 -1.54 0.37 0.00 0.00 175.52 173.31 3i5f n SER 25 N -3.41 0.66 -4.75 4.18 3.41 0.08 -4.28 113.62 109.50 3i5f n SER 25 Ca -0.02 -0.48 -0.41 0.00 -0.26 0.00 0.00 58.87 57.70 3i5f n SER 25 Cb 0.17 0.49 -0.01 0.00 -0.26 0.00 0.00 64.21 64.60 3i5f n SER 25 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3i5f s ILE 26 N -3.00 2.05 0.93 -1.33 1.01 -1.18 -4.97 121.20 114.72 3i5f s ILE 26 Ca 0.10 0.05 -0.25 0.00 0.00 0.00 0.00 60.65 60.55 3i5f s ILE 26 Cb 0.17 -3.03 -0.18 0.00 0.01 0.00 0.00 42.46 39.43 3i5f s ILE 26 CO 0.75 0.01 -1.39 -2.65 0.00 0.00 0.00 174.94 171.67 3i5f n PRO 27 N 2.08 0.00 -3.63 2.79 -0.02 -1.26 -4.80 135.00 130.17 3i5f n PRO 27 Ca 0.08 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.52 3i5f n PRO 27 Cb 0.37 -0.98 -0.04 0.00 -0.02 0.00 0.00 33.50 32.83 3i5f n PRO 27 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3i5f s PHE 28 N -1.97 -0.11 -0.29 6.00 5.36 -1.26 -4.91 117.98 120.80 3i5f s PHE 28 Ca 0.32 0.17 0.03 0.00 -0.96 0.00 0.00 56.93 56.48 3i5f s PHE 28 Cb 0.10 0.49 0.17 0.00 -0.34 0.00 0.00 43.02 43.43 3i5f s PHE 28 CO 0.58 -0.11 0.44 0.34 -1.46 0.00 0.00 175.22 175.01 3i5f s ASP 29 N -1.23 0.12 0.00 6.13 -1.08 -1.26 -4.98 116.67 114.37 3i5f s ASP 29 Ca 0.07 -0.35 0.00 0.00 -0.52 0.00 0.00 52.55 51.75 3i5f s ASP 29 Cb -0.01 1.22 0.00 0.00 -1.46 0.00 0.00 42.92 42.67 3i5f s ASP 29 CO -0.05 -0.34 0.02 0.61 0.52 0.00 0.00 175.17 175.92 3i5f n GLY 30 N 5.32 0.04 0.00 2.66 0.00 -1.26 0.14 105.19 112.08 3i5f n GLY 30 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3i5f n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i5f n LYS 31 N 0.41 2.46 -0.10 1.61 5.02 -1.26 -4.90 118.16 121.40 3i5f n LYS 31 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 3i5f n LYS 31 Cb 0.01 -0.81 -0.07 0.00 -0.02 0.00 0.00 35.03 34.14 3i5f n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i5f n LYS 32 N -1.39 0.43 -2.78 1.97 4.76 0.36 -4.77 118.16 116.73 3i5f n LYS 32 Ca 0.00 0.18 -0.42 0.00 -2.87 0.00 0.00 58.31 55.20 3i5f n LYS 32 Cb 0.29 -1.23 -0.03 0.00 -1.84 0.00 0.00 35.03 32.22 3i5f n LYS 32 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3i5f s ASN 33 N -6.66 7.28 0.00 4.39 0.01 0.18 -1.43 114.94 118.70 3i5f s ASN 33 Ca -0.27 1.55 0.00 0.00 -0.71 0.00 0.00 52.86 53.42 3i5f s ASN 33 Cb 0.10 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.23 3i5f s ASN 33 CO 0.36 -0.25 0.00 0.00 -1.51 0.00 0.00 177.10 175.70 3i5f s TRP 35 N -3.64 2.26 0.21 0.00 0.23 0.88 -1.47 118.94 117.42 3i5f s TRP 35 Ca 0.00 -0.65 0.03 0.00 -2.03 0.00 0.00 56.10 53.45 3i5f s TRP 35 Cb 0.00 -1.49 -0.05 0.00 0.03 0.00 0.00 33.47 31.96 3i5f s TRP 35 CO 0.00 -0.20 -0.01 0.14 0.96 0.00 0.00 176.95 177.84 3i5f s VAL 36 N -0.15 0.99 0.46 4.03 -7.23 0.71 0.22 120.40 119.44 3i5f s VAL 36 Ca -0.03 -2.03 -0.16 0.00 -1.81 0.00 0.00 61.98 57.95 3i5f s VAL 36 Cb -0.13 -2.26 -0.08 0.00 0.56 0.00 0.00 36.38 34.47 3i5f s VAL 36 CO 0.03 -0.39 0.91 -2.16 -0.31 0.00 0.00 175.10 173.18 3i5f s PRO 37 N -3.86 3.97 0.09 4.82 0.04 -1.23 -0.79 135.00 138.03 3i5f s PRO 37 Ca 0.27 0.85 -0.22 0.00 0.04 0.00 0.00 61.00 61.94 3i5f s PRO 37 Cb 0.05 -2.23 0.05 0.00 0.04 0.00 0.00 34.50 32.42 3i5f s PRO 37 CO 0.07 -0.14 0.52 0.34 0.04 0.00 0.00 177.00 177.84 3i5f s ASP 38 N -2.85 -0.44 0.37 6.66 -1.08 0.83 -4.69 116.67 115.47 3i5f s ASP 38 Ca 0.57 0.06 0.27 0.00 -0.52 0.00 0.00 52.55 52.93 3i5f s ASP 38 Cb -0.10 0.52 0.83 0.00 -1.46 0.00 0.00 42.92 42.71 3i5f s ASP 38 CO 0.27 -0.81 1.76 -0.65 0.52 0.00 0.00 175.17 176.26 3i5f h PRO 39 N 2.51 0.00 0.00 4.34 0.11 -1.99 -3.00 132.00 133.97 3i5f h PRO 39 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3i5f h PRO 39 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3i5f h PRO 39 CO 0.41 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.95 3i5f n ASP 40 N -2.72 0.72 -0.58 -2.05 9.92 -1.26 -4.65 116.55 115.94 3i5f n ASP 40 Ca 0.03 -1.08 -0.01 0.00 -0.53 0.00 0.00 54.79 53.20 3i5f n ASP 40 Cb 0.39 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.87 3i5f n ASP 40 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3i5f n PHE 41 N -0.04 0.00 0.00 1.24 3.01 -1.26 -4.63 117.46 115.78 3i5f n PHE 41 Ca 0.00 -0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.40 3i5f n PHE 41 Cb 0.12 0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 3i5f n PHE 41 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i5f n GLY 42 N 0.02 0.00 3.08 1.37 0.00 -1.13 -4.60 105.19 103.92 3i5f n GLY 42 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 3i5f n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i5f s PHE 43 N 0.00 0.34 0.07 1.61 0.40 -1.26 0.29 117.98 119.43 3i5f s PHE 43 Ca 0.00 -0.74 -0.12 0.00 -0.60 0.00 0.00 56.93 55.47 3i5f s PHE 43 Cb 0.00 -0.25 0.01 0.00 0.51 0.00 0.00 43.02 43.30 3i5f s PHE 43 CO 0.00 -0.34 0.27 0.08 0.70 0.00 0.00 175.22 175.93 3i5f s VAL 44 N -2.95 0.10 0.65 -0.44 1.01 0.03 -4.85 120.40 113.94 3i5f s VAL 44 Ca -0.02 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 3i5f s VAL 44 Cb 0.01 -1.10 -0.00 0.00 0.00 0.00 0.00 36.38 35.29 3i5f s VAL 44 CO -0.06 -0.46 1.11 -0.83 0.00 0.00 0.00 175.10 174.85 3i5f s GLY 45 N -2.43 2.18 0.11 4.51 0.00 -1.26 -0.20 107.32 110.22 3i5f s GLY 45 Ca -0.01 0.56 -0.16 0.00 0.00 0.00 0.00 44.72 45.12 3i5f s GLY 45 CO -0.07 0.91 0.39 0.00 0.00 0.00 0.00 173.10 174.33 3i5f s ALA 46 N -2.30 -0.91 -0.15 3.20 0.00 -0.54 0.40 121.76 121.45 3i5f s ALA 46 Ca 0.67 -0.01 -0.00 0.00 0.00 0.00 0.00 51.96 52.62 3i5f s ALA 46 Cb -0.21 0.62 0.03 0.00 0.00 0.00 0.00 23.12 23.56 3i5f s ALA 46 CO 0.41 -0.60 -0.09 -1.21 0.00 0.00 0.00 175.76 174.26 3i5f s GLU 47 N -3.57 1.81 0.03 0.00 2.02 -0.34 -1.12 118.70 117.53 3i5f s GLU 47 Ca 0.02 -0.50 -0.30 0.00 0.02 0.00 0.00 54.97 54.20 3i5f s GLU 47 Cb 0.02 -1.97 -0.07 0.00 0.10 0.00 0.00 34.13 32.21 3i5f s GLU 47 CO -0.10 -0.32 1.48 0.42 0.02 0.00 0.00 175.26 176.76 3i5f s ILE 48 N 1.58 3.46 -0.19 -1.63 1.01 -0.52 -2.16 121.20 122.75 3i5f s ILE 48 Ca 0.03 0.88 -0.15 0.00 0.00 0.00 0.00 60.65 61.41 3i5f s ILE 48 Cb -0.14 -3.57 -0.07 0.00 0.01 0.00 0.00 42.46 38.69 3i5f s ILE 48 CO -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 174.94 174.59 3i5f n GLN 49 N 5.36 0.52 -4.35 2.79 1.13 -0.02 -4.91 117.38 117.90 3i5f n GLN 49 Ca 0.14 0.32 -0.18 0.00 -1.94 0.00 0.00 57.00 55.34 3i5f n GLN 49 Cb 0.42 -1.53 -0.10 0.00 0.11 0.00 0.00 30.24 29.14 3i5f n GLN 49 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 3i5f s SER 50 N -6.22 2.42 -0.06 1.08 0.01 -0.91 -4.97 113.70 105.05 3i5f s SER 50 Ca -0.27 -1.09 -0.03 0.00 1.31 0.00 0.00 55.95 55.87 3i5f s SER 50 Cb 0.06 -0.11 0.04 0.00 0.21 0.00 0.00 66.02 66.22 3i5f s SER 50 CO 0.40 -0.28 0.14 -0.89 0.41 0.00 0.00 173.24 173.02 3i5f s THR 51 N -3.09 -0.06 -0.40 1.44 2.01 -1.26 0.02 115.64 114.29 3i5f s THR 51 Ca 0.24 0.19 0.10 0.00 0.31 0.00 0.00 61.69 62.53 3i5f s THR 51 Cb 0.02 -0.24 0.34 0.00 0.01 0.00 0.00 72.50 72.63 3i5f s THR 51 CO 0.08 0.08 0.88 2.29 -0.69 0.00 0.00 174.62 177.25 3i5f n LYS 52 N 4.25 0.99 0.00 4.92 2.85 -1.03 -4.99 118.16 125.15 3i5f n LYS 52 Ca -0.26 -2.83 0.00 0.00 -1.05 0.00 0.00 58.31 54.17 3i5f n LYS 52 Cb 0.51 -1.45 0.00 0.00 -0.65 0.00 0.00 35.03 33.44 3i5f n LYS 52 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3i5f n GLY 53 N 0.31 1.93 0.00 2.58 0.00 -1.26 -3.77 105.19 104.99 3i5f n GLY 53 Ca 0.18 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3i5f n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i5f n ASP 54 N 3.69 0.84 -4.04 1.61 8.00 -1.26 -4.86 116.55 120.53 3i5f n ASP 54 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.18 3i5f n ASP 54 Cb 0.00 0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.06 3i5f n ASP 54 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3i5f n GLU 55 N -1.02 0.43 -3.07 -1.24 4.71 -1.25 -3.21 120.64 115.99 3i5f n GLU 55 Ca 0.00 -1.55 -0.40 0.00 -0.01 0.00 0.00 57.16 55.20 3i5f n GLU 55 Cb 0.09 -3.23 -0.05 0.00 -1.01 0.00 0.00 31.44 27.23 3i5f n GLU 55 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3i5f s VAL 56 N 11.05 5.00 -0.41 2.62 1.01 -1.21 -2.48 120.40 135.98 3i5f s VAL 56 Ca 0.72 1.30 -0.14 0.00 0.00 0.00 0.00 61.98 63.85 3i5f s VAL 56 Cb 0.06 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.48 3i5f s VAL 56 CO 0.24 0.12 0.30 -0.89 0.00 0.00 0.00 175.10 174.86 3i5f s THR 57 N 1.80 5.12 -0.09 3.92 2.01 0.10 -3.08 115.64 125.42 3i5f s THR 57 Ca 0.31 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.54 3i5f s THR 57 Cb -0.16 -3.90 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 3i5f s THR 57 CO 0.12 -0.35 -0.10 0.68 -0.69 0.00 0.00 174.62 174.28 3i5f s VAL 58 N 1.65 3.41 -0.24 3.82 -7.23 -1.19 -0.84 120.40 119.77 3i5f s VAL 58 Ca 0.04 -0.57 -0.13 0.00 -1.81 0.00 0.00 61.98 59.51 3i5f s VAL 58 Cb -0.20 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 3i5f s VAL 58 CO 0.09 0.56 0.29 -0.75 -0.31 0.00 0.00 175.10 174.98 3i5f s LYS 59 N -0.31 4.07 0.87 4.82 2.20 -0.92 -2.46 119.74 128.01 3i5f s LYS 59 Ca 0.04 -0.06 -0.15 0.00 -0.36 0.00 0.00 55.97 55.44 3i5f s LYS 59 Cb -0.13 -3.59 0.22 0.00 -1.51 0.00 0.00 37.83 32.83 3i5f s LYS 59 CO 0.03 -0.09 0.62 0.25 -0.36 0.00 0.00 175.35 175.79 3i5f n THR 60 N 4.64 0.00 0.00 3.43 -2.24 -0.80 -1.20 114.28 118.11 3i5f n THR 60 Ca -0.11 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3i5f n THR 60 Cb 0.51 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 3i5f n THR 60 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3i5f n ASP 61 N -4.54 0.00 0.00 3.42 9.92 0.16 -4.50 116.55 121.01 3i5f n ASP 61 Ca 0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.35 3i5f n ASP 61 Cb 0.38 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.86 3i5f n ASP 61 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3i5f n LYS 62 N 0.00 0.00 -0.34 -1.24 5.02 -1.26 -3.62 118.16 116.72 3i5f n LYS 62 Ca 0.00 0.86 -0.06 0.00 -2.02 0.00 0.00 58.31 57.09 3i5f n LYS 62 Cb 0.00 -1.45 -0.04 0.00 -0.02 0.00 0.00 35.03 33.52 3i5f n LYS 62 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3i5f n THR 63 N -2.62 -0.52 -0.20 -0.18 -1.04 -1.26 -4.86 114.28 103.59 3i5f n THR 63 Ca 0.00 1.99 0.00 0.00 -2.04 0.00 0.00 64.05 64.00 3i5f n THR 63 Cb 0.00 -2.52 0.00 0.00 -1.82 0.00 0.00 70.33 65.99 3i5f n THR 63 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i5f n GLN 64 N -5.10 0.00 -2.65 -2.82 1.13 -1.24 -5.08 117.38 101.62 3i5f n GLN 64 Ca 0.04 0.04 -0.23 0.00 -1.94 0.00 0.00 57.00 54.91 3i5f n GLN 64 Cb 0.26 -0.50 0.10 0.00 0.11 0.00 0.00 30.24 30.20 3i5f n GLN 64 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 3i5f s GLU 65 N -0.80 1.76 -0.33 -1.09 2.56 -1.26 -4.85 118.70 114.70 3i5f s GLU 65 Ca 0.00 -1.19 -0.01 0.00 0.00 0.00 0.00 54.97 53.78 3i5f s GLU 65 Cb 0.00 -2.38 0.13 0.00 2.00 0.00 0.00 34.13 33.89 3i5f s GLU 65 CO 0.00 -1.37 0.23 -0.08 -0.56 0.00 0.00 175.26 173.49 3i5f s THR 66 N -3.08 -0.08 0.00 -1.70 -1.32 -1.25 -1.91 115.64 106.30 3i5f s THR 66 Ca 0.66 -1.16 0.00 0.00 -1.21 0.00 0.00 61.69 59.98 3i5f s THR 66 Cb -0.05 -0.98 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 3i5f s THR 66 CO 0.44 -0.78 0.00 0.54 -2.21 0.00 0.00 174.62 172.61 3i5f n ARG 67 N 4.57 0.61 -2.93 7.08 1.74 -1.03 -4.92 116.66 121.78 3i5f n ARG 67 Ca 0.05 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.02 3i5f n ARG 67 Cb 0.41 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.84 3i5f n ARG 67 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i5f n VAL 68 N -1.39 -0.33 -2.43 1.55 0.31 -1.26 -3.15 118.33 111.64 3i5f n VAL 68 Ca 0.00 -1.81 -0.34 0.00 -0.01 0.00 0.00 64.34 62.19 3i5f n VAL 68 Cb 0.00 0.28 -0.02 0.00 -0.91 0.00 0.00 33.84 33.19 3i5f n VAL 68 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3i5f s VAL 69 N 0.54 3.81 1.07 2.52 1.01 -1.18 -4.79 120.40 123.38 3i5f s VAL 69 Ca 0.31 1.06 -0.14 0.00 0.00 0.00 0.00 61.98 63.21 3i5f s VAL 69 Cb 0.05 -3.44 0.22 0.00 0.00 0.00 0.00 36.38 33.21 3i5f s VAL 69 CO -0.12 -0.31 1.09 -0.54 0.00 0.00 0.00 175.10 175.22 3i5f s LYS 70 N -3.44 -0.14 0.08 2.72 1.02 -1.26 -3.36 119.74 115.36 3i5f s LYS 70 Ca 0.66 0.39 -0.35 0.00 0.02 0.00 0.00 55.97 56.69 3i5f s LYS 70 Cb -0.16 -1.68 -0.17 0.00 -0.52 0.00 0.00 37.83 35.29 3i5f s LYS 70 CO 0.24 -3.09 1.58 -0.22 -0.92 0.00 0.00 175.35 172.94 3i5f h LYS 71 N -2.14 -0.99 0.00 1.68 3.64 -1.88 -3.20 116.57 113.67 3i5f h LYS 71 Ca -0.54 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3i5f h LYS 71 Cb 1.33 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 33.37 3i5f h LYS 71 CO 0.52 -0.66 0.50 -0.44 -2.27 0.00 0.00 179.45 177.10 3i5f h ASP 72 N -1.03 0.00 -0.67 4.20 5.19 -1.94 0.12 116.42 122.29 3i5f h ASP 72 Ca -0.07 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.13 3i5f h ASP 72 Cb 0.86 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 40.25 3i5f h ASP 72 CO 0.02 0.00 0.26 0.47 -3.12 0.00 0.00 179.24 176.87 3i5f n ASP 73 N -2.66 4.48 -4.24 6.45 8.00 -1.21 -4.66 116.55 122.72 3i5f n ASP 73 Ca -0.01 -3.08 -0.42 0.00 0.71 0.00 0.00 54.79 51.98 3i5f n ASP 73 Cb 0.53 -0.72 -0.06 0.00 -0.02 0.00 0.00 41.12 40.84 3i5f n ASP 73 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i5f s ILE 74 N -2.69 4.64 0.46 0.53 1.01 0.42 -3.56 121.20 122.01 3i5f s ILE 74 Ca 0.49 -2.14 -0.19 0.00 0.00 0.00 0.00 60.65 58.80 3i5f s ILE 74 Cb 0.39 -3.98 -0.10 0.00 0.01 0.00 0.00 42.46 38.78 3i5f s ILE 74 CO 0.12 -0.88 0.96 -0.83 0.00 0.00 0.00 174.94 174.32 3i5f s GLY 75 N 2.32 2.26 0.19 6.18 0.00 0.60 -4.87 107.32 114.00 3i5f s GLY 75 Ca 0.11 0.31 -0.23 0.00 0.00 0.00 0.00 44.72 44.90 3i5f s GLY 75 CO -0.03 0.59 0.76 1.20 0.00 0.00 0.00 173.10 175.63 3i5f s GLN 76 N -3.52 4.46 0.10 2.90 -0.21 -1.26 -0.09 119.66 122.04 3i5f s GLN 76 Ca 0.61 1.07 0.06 0.00 0.02 0.00 0.00 55.36 57.12 3i5f s GLN 76 Cb -0.09 -3.11 -0.04 0.00 1.00 0.00 0.00 33.01 30.76 3i5f s GLN 76 CO 0.20 0.50 -0.07 0.50 -2.12 0.00 0.00 175.29 174.30 3i5f s ARG 77 N -1.46 2.25 0.31 2.91 3.52 -1.26 -4.68 118.95 120.55 3i5f s ARG 77 Ca 0.39 -0.96 -0.27 0.00 -0.13 0.00 0.00 55.73 54.75 3i5f s ARG 77 Cb -0.21 -2.37 -0.09 0.00 -1.56 0.00 0.00 34.95 30.71 3i5f s ARG 77 CO 0.24 0.52 0.98 -0.80 -0.81 0.00 0.00 175.30 175.43 3i5f s ASN 78 N -2.20 7.29 0.57 -2.12 0.01 -1.26 -4.95 114.94 112.29 3i5f s ASN 78 Ca 0.22 1.95 -0.17 0.00 -0.71 0.00 0.00 52.86 54.16 3i5f s ASN 78 Cb -0.11 -2.59 -0.05 0.00 0.41 0.00 0.00 41.25 38.91 3i5f s ASN 78 CO 0.15 -0.10 1.05 -2.16 -1.51 0.00 0.00 177.10 174.53 3i5f s PRO 79 N -1.87 3.41 0.34 -0.60 0.04 -1.26 -4.89 135.00 130.16 3i5f s PRO 79 Ca 0.49 1.24 0.28 0.00 0.04 0.00 0.00 61.00 63.05 3i5f s PRO 79 Cb -0.22 -2.04 1.09 0.00 0.04 0.00 0.00 34.50 33.37 3i5f s PRO 79 CO 0.28 -0.74 1.06 -2.30 0.04 0.00 0.00 177.00 175.34 3i5f n PRO 80 N -1.83 -0.01 -0.17 0.56 -0.02 -1.26 -0.56 135.00 131.71 3i5f n PRO 80 Ca 0.09 0.79 0.13 0.00 -2.02 0.00 0.00 63.50 62.49 3i5f n PRO 80 Cb 0.53 -1.68 0.47 0.00 -0.02 0.00 0.00 33.50 32.79 3i5f n PRO 80 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3i5f h LYS 81 N 0.00 0.48 0.00 -0.52 3.64 -1.90 -1.04 116.57 117.23 3i5f h LYS 81 Ca 0.62 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.97 3i5f h LYS 81 Cb 2.24 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.96 3i5f h LYS 81 CO -0.16 0.32 -0.35 0.74 -2.27 0.00 0.00 179.45 177.72 3i5f h PHE 82 N 0.49 0.00 -1.98 1.91 -1.00 -1.17 -3.46 116.94 111.73 3i5f h PHE 82 Ca 0.36 0.00 -0.61 0.00 2.81 0.00 0.00 57.97 60.53 3i5f h PHE 82 Cb 0.71 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.29 3i5f h PHE 82 CO -0.00 0.00 1.17 0.39 -1.61 0.00 0.00 178.31 178.26 3i5f n GLU 83 N -2.52 2.15 -0.53 1.51 -0.58 -0.39 0.89 120.64 121.17 3i5f n GLU 83 Ca 0.04 0.77 0.00 0.00 -0.42 0.00 0.00 57.16 57.54 3i5f n GLU 83 Cb 0.48 -2.71 0.00 0.00 -0.57 0.00 0.00 31.44 28.64 3i5f n GLU 83 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3i5f n MET 84 N 7.04 0.00 -1.28 3.49 2.81 -1.26 -4.62 117.12 123.29 3i5f n MET 84 Ca 0.24 0.00 -0.50 0.00 -1.81 0.00 0.00 57.70 55.63 3i5f n MET 84 Cb 0.31 -1.58 -0.07 0.00 -0.71 0.00 0.00 33.22 31.17 3i5f n MET 84 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3i5f n ASN 85 N 0.00 0.70 0.16 7.83 2.85 0.26 -4.82 115.26 122.23 3i5f n ASN 85 Ca 0.00 0.90 0.01 0.00 -0.11 0.00 0.00 54.58 55.38 3i5f n ASN 85 Cb 0.00 -0.67 0.24 0.00 1.24 0.00 0.00 39.78 40.59 3i5f n ASN 85 CO 0.00 0.00 0.00 0.24 -2.11 0.00 0.00 177.26 175.39 3i5f h MET 86 N 3.44 0.00 -4.01 1.20 2.86 -1.93 -3.40 114.93 113.09 3i5f h MET 86 Ca -0.35 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 56.71 3i5f h MET 86 Cb 1.05 0.00 -0.39 0.00 0.06 0.00 0.00 31.60 32.32 3i5f h MET 86 CO 0.69 0.52 -0.77 0.34 1.06 0.00 0.00 176.91 178.75 3i5f s ASP 87 N -6.77 3.65 0.59 1.22 -1.08 -1.26 -3.51 116.67 109.51 3i5f s ASP 87 Ca -0.01 -1.19 0.13 0.00 -0.52 0.00 0.00 52.55 50.96 3i5f s ASP 87 Cb 0.13 -0.98 0.46 0.00 -1.46 0.00 0.00 42.92 41.06 3i5f s ASP 87 CO 0.74 -0.29 1.08 0.23 0.52 0.00 0.00 175.17 177.45 3i5f n MET 88 N 4.79 0.02 0.18 4.34 2.81 0.21 -1.37 117.12 128.10 3i5f n MET 88 Ca -0.09 0.93 0.13 0.00 -1.81 0.00 0.00 57.70 56.86 3i5f n MET 88 Cb 0.45 -2.39 0.33 0.00 -0.71 0.00 0.00 33.22 30.90 3i5f n MET 88 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i5f h ALA 89 N 0.26 1.00 -0.14 3.04 0.00 -1.87 -3.21 119.26 118.33 3i5f h ALA 89 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3i5f h ALA 89 Cb 2.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.14 3i5f h ALA 89 CO -0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 3i5f n ASN 90 N -2.74 0.96 -4.66 0.00 3.02 -0.47 -4.76 115.26 106.61 3i5f n ASN 90 Ca 0.04 -1.80 -0.43 0.00 -0.03 0.00 0.00 54.58 52.36 3i5f n ASN 90 Cb 0.45 -0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 39.50 3i5f n ASN 90 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i5f s LEU 91 N -1.26 4.20 0.22 3.41 1.43 -1.22 -4.88 118.68 120.57 3i5f s LEU 91 Ca 0.21 1.77 -0.07 0.00 -1.03 0.00 0.00 54.13 55.00 3i5f s LEU 91 Cb 0.11 -3.54 0.18 0.00 0.03 0.00 0.00 46.19 42.97 3i5f s LEU 91 CO 0.16 -0.80 1.81 0.00 0.23 0.00 0.00 176.35 177.75 3i5f h THR 92 N 5.52 1.26 -3.86 5.49 1.03 -1.88 -3.38 112.91 117.09 3i5f h THR 92 Ca -0.28 -0.74 -0.64 0.00 -0.01 0.00 0.00 66.41 64.74 3i5f h THR 92 Cb 1.12 0.19 -0.17 0.00 -1.07 0.00 0.00 68.15 68.21 3i5f h THR 92 CO 0.97 0.32 -0.52 -0.36 -0.01 0.00 0.00 175.52 175.91 3i5f s PHE 93 N -5.69 3.22 -0.24 0.00 2.99 -1.26 -4.26 117.98 112.74 3i5f s PHE 93 Ca -0.13 0.10 -0.06 0.00 0.00 0.00 0.00 56.93 56.84 3i5f s PHE 93 Cb 0.16 -2.36 -0.02 0.00 0.00 0.00 0.00 43.02 40.79 3i5f s PHE 93 CO 0.83 -0.15 0.04 -0.51 -0.00 0.00 0.00 175.22 175.43 3i5f s LEU 94 N 1.70 3.32 0.01 -0.37 1.43 -1.26 -4.85 118.68 118.64 3i5f s LEU 94 Ca 0.07 -0.24 -0.29 0.00 -1.03 0.00 0.00 54.13 52.63 3i5f s LEU 94 Cb -0.16 -1.88 0.10 0.00 0.03 0.00 0.00 46.19 44.29 3i5f s LEU 94 CO 0.10 -0.02 1.08 0.54 0.23 0.00 0.00 176.35 178.28 3i5f s ASN 95 N 1.54 -0.18 0.10 2.29 2.20 -1.26 -5.02 114.94 114.62 3i5f s ASN 95 Ca 0.06 -0.16 -0.17 0.00 -0.94 0.00 0.00 52.86 51.65 3i5f s ASN 95 Cb -0.15 0.31 -0.06 0.00 -2.00 0.00 0.00 41.25 39.35 3i5f s ASN 95 CO 0.02 -0.54 1.53 -0.33 -2.94 0.00 0.00 177.10 174.84 3i5f h GLU 96 N 2.00 0.56 -0.97 3.55 5.08 -1.97 0.16 114.58 122.98 3i5f h GLU 96 Ca -0.23 -0.18 0.32 0.00 -1.00 0.00 0.00 59.36 58.27 3i5f h GLU 96 Cb 1.21 -0.05 -0.17 0.00 0.50 0.00 0.00 28.75 30.25 3i5f h GLU 96 CO 0.27 0.71 0.34 0.00 -1.00 0.00 0.00 179.01 179.32 3i5f h ALA 97 N 0.83 1.67 0.13 3.43 0.00 -1.96 1.06 119.26 124.41 3i5f h ALA 97 Ca 0.09 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 3i5f h ALA 97 Cb 0.46 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3i5f h ALA 97 CO 0.02 -0.68 -0.06 0.77 0.00 0.00 0.00 179.25 179.29 3i5f h SER 98 N 0.10 -0.15 -0.98 0.00 0.02 -1.79 -2.29 113.55 108.45 3i5f h SER 98 Ca 0.70 0.01 0.29 0.00 -0.84 0.00 0.00 61.79 61.94 3i5f h SER 98 Cb 1.63 0.04 -0.14 0.00 0.14 0.00 0.00 62.40 64.07 3i5f h SER 98 CO -0.76 0.17 0.52 0.40 -1.14 0.00 0.00 176.83 176.03 3i5f h ILE 99 N -0.74 0.37 -0.12 3.27 1.08 -0.25 1.34 117.51 122.46 3i5f h ILE 99 Ca -0.02 -0.13 -0.03 0.00 -0.39 0.00 0.00 64.86 64.29 3i5f h ILE 99 Cb 0.14 -0.04 -0.00 0.00 -3.07 0.00 0.00 36.82 33.84 3i5f h ILE 99 CO 0.03 0.07 -0.04 0.25 -0.69 0.00 0.00 178.15 177.77 3i5f h LEU 100 N 0.38 0.24 0.57 1.44 5.85 0.10 -3.07 115.31 120.83 3i5f h LEU 100 Ca 0.68 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 3i5f h LEU 100 Cb 1.46 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.42 3i5f h LEU 100 CO -0.58 0.58 -0.34 -0.74 -0.34 0.00 0.00 178.44 177.02 3i5f h HIS 101 N -0.10 -0.89 -1.29 1.25 2.76 0.19 -2.10 115.15 114.98 3i5f h HIS 101 Ca 0.03 -0.01 0.37 0.00 -2.20 0.00 0.00 60.37 58.56 3i5f h HIS 101 Cb 0.48 0.31 -0.05 0.00 1.55 0.00 0.00 27.41 29.70 3i5f h HIS 101 CO 0.06 -0.52 0.94 -0.97 -1.30 0.00 0.00 177.93 176.14 3i5f h ASN 102 N -0.86 0.00 0.00 3.26 -0.73 0.49 -2.46 115.58 115.28 3i5f h ASN 102 Ca -0.07 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.09 3i5f h ASN 102 Cb 0.69 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.28 3i5f h ASN 102 CO 0.08 0.00 -0.04 -0.07 -0.37 0.00 0.00 177.43 177.03 3i5f h LEU 103 N 0.00 0.00 0.05 0.34 3.38 -1.34 -3.16 115.31 114.58 3i5f h LEU 103 Ca 0.61 -0.76 -0.28 0.00 0.09 0.00 0.00 57.88 57.54 3i5f h LEU 103 Cb 2.49 0.00 0.02 0.00 0.09 0.00 0.00 40.66 43.26 3i5f h LEU 103 CO -0.01 0.91 -1.16 0.08 0.09 0.00 0.00 178.44 178.35 3i5f h ARG 104 N -1.00 0.59 -0.52 1.13 0.11 -1.22 0.46 114.38 113.92 3i5f h ARG 104 Ca -0.01 -0.73 0.08 0.00 0.10 0.00 0.00 59.98 59.41 3i5f h ARG 104 Cb 0.79 0.23 -0.10 0.00 1.11 0.00 0.00 29.97 32.01 3i5f h ARG 104 CO -0.01 1.32 -0.46 0.66 0.10 0.00 0.00 179.97 181.58 3i5f h SER 105 N 0.28 -1.58 -0.18 0.08 4.64 -1.65 3.39 113.55 118.54 3i5f h SER 105 Ca -0.16 0.24 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 3i5f h SER 105 Cb 1.82 0.70 -0.01 0.00 -0.31 0.00 0.00 62.40 64.60 3i5f h SER 105 CO 0.22 -0.35 0.08 0.03 -0.87 0.00 0.00 176.83 175.93 3i5f h ARG 106 N -0.28 0.26 -0.87 4.77 3.08 -1.57 -3.15 114.38 116.62 3i5f h ARG 106 Ca 0.15 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.23 3i5f h ARG 106 Cb 0.57 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.51 3i5f h ARG 106 CO -0.66 0.32 0.53 -0.92 -1.07 0.00 0.00 179.97 178.17 3i5f h TYR 107 N 0.14 0.98 -0.20 3.04 3.20 0.49 -2.20 116.97 122.42 3i5f h TYR 107 Ca 0.06 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 3i5f h TYR 107 Cb 0.15 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.07 3i5f h TYR 107 CO -0.02 0.46 0.09 0.39 -1.64 0.00 0.00 178.16 177.44 3i5f n GLU 108 N -4.65 1.62 0.00 1.82 1.02 1.08 -2.68 120.64 118.85 3i5f n GLU 108 Ca 0.13 -0.77 0.00 0.00 -0.02 0.00 0.00 57.16 56.50 3i5f n GLU 108 Cb 0.22 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 3i5f n GLU 108 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3i5f n SER 109 N 0.12 0.22 0.00 1.62 7.64 -0.87 -4.98 113.62 117.37 3i5f n SER 109 Ca 0.11 -0.56 0.00 0.00 1.01 0.00 0.00 58.87 59.44 3i5f n SER 109 Cb 0.66 0.35 0.00 0.00 -1.01 0.00 0.00 64.21 64.20 3i5f n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i5f n GLY 110 N 0.35 0.82 3.40 0.23 0.00 -1.09 -4.90 105.19 104.00 3i5f n GLY 110 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3i5f n GLY 110 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i5f s PHE 111 N -2.00 3.20 -0.07 1.61 2.99 -0.96 -4.80 117.98 117.95 3i5f s PHE 111 Ca 0.00 -1.35 -0.10 0.00 0.00 0.00 0.00 56.93 55.48 3i5f s PHE 111 Cb 0.00 -4.11 -0.07 0.00 0.00 0.00 0.00 43.02 38.85 3i5f s PHE 111 CO 0.00 -1.34 0.39 -0.84 -0.00 0.00 0.00 175.22 173.43 3i5f h ILE 112 N 5.62 0.21 -3.96 0.64 3.07 -1.84 -3.24 117.51 118.01 3i5f h ILE 112 Ca -0.01 -0.94 -0.53 0.00 1.55 0.00 0.00 64.86 64.93 3i5f h ILE 112 Cb 1.05 0.37 0.10 0.00 -0.27 0.00 0.00 36.82 38.07 3i5f h ILE 112 CO 1.03 0.06 0.67 -0.31 -1.05 0.00 0.00 178.15 178.55 3i5f s TYR 113 N -2.49 2.64 -0.30 0.16 4.12 -1.26 -3.79 117.35 116.43 3i5f s TYR 113 Ca -0.06 1.32 -0.16 0.00 0.02 0.00 0.00 57.07 58.20 3i5f s TYR 113 Cb 0.00 -3.82 0.17 0.00 -1.52 0.00 0.00 41.96 36.79 3i5f s TYR 113 CO 0.19 -2.55 1.04 0.99 0.02 0.00 0.00 175.55 175.23 3i5f s THR 114 N -1.22 -0.36 0.66 -0.71 2.01 -0.02 -4.82 115.64 111.18 3i5f s THR 114 Ca 0.58 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 62.47 3i5f s THR 114 Cb -0.41 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.08 3i5f s THR 114 CO 0.54 0.00 1.05 -0.31 -0.69 0.00 0.00 174.62 175.20 3i5f s TYR 115 N 2.21 3.33 -0.40 4.92 1.51 -1.23 0.27 117.35 127.96 3i5f s TYR 115 Ca -0.03 1.37 0.08 0.00 -1.01 0.00 0.00 57.07 57.47 3i5f s TYR 115 Cb -0.05 -2.81 0.18 0.00 -0.11 0.00 0.00 41.96 39.17 3i5f s TYR 115 CO -0.17 -1.00 0.62 0.45 -1.11 0.00 0.00 175.55 174.35 3i5f s SER 116 N -3.94 -1.52 0.94 2.29 0.15 0.02 0.65 113.70 112.29 3i5f s SER 116 Ca 0.57 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 56.51 3i5f s SER 116 Cb -0.13 1.96 0.00 0.00 -1.71 0.00 0.00 66.02 66.14 3i5f s SER 116 CO 0.54 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.41 3i5f n GLY 117 N 4.50 2.38 0.43 9.45 0.00 -1.26 -2.05 105.19 118.64 3i5f n GLY 117 Ca 0.11 -0.42 0.24 0.00 0.00 0.00 0.00 46.02 45.94 3i5f n GLY 117 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i5f h LEU 118 N 0.00 0.15 -9.86 0.99 3.38 -2.00 -3.42 115.31 104.55 3i5f h LEU 118 Ca 0.00 0.02 -0.53 0.00 0.09 0.00 0.00 57.88 57.46 3i5f h LEU 118 Cb 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3i5f h LEU 118 CO 0.00 0.06 0.06 -0.36 0.09 0.00 0.00 178.44 178.29 3i5f s PHE 119 N -5.15 3.61 -0.28 1.13 0.40 -0.87 -4.23 117.98 112.59 3i5f s PHE 119 Ca -0.06 1.29 -0.02 0.00 -0.60 0.00 0.00 56.93 57.54 3i5f s PHE 119 Cb 0.22 -2.55 0.04 0.00 0.51 0.00 0.00 43.02 41.24 3i5f s PHE 119 CO 0.77 0.34 -0.01 0.00 0.70 0.00 0.00 175.22 177.01 3i5f s ILE 121 N 1.29 4.21 0.14 0.00 1.01 0.14 -0.21 121.20 127.79 3i5f s ILE 121 Ca -0.03 1.83 0.07 0.00 0.00 0.00 0.00 60.65 62.51 3i5f s ILE 121 Cb -0.19 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 3i5f s ILE 121 CO -0.02 0.15 -0.15 0.00 0.00 0.00 0.00 174.94 174.92 3i5f s ALA 122 N -1.60 1.71 -0.13 9.38 0.00 -0.95 -0.84 121.76 129.32 3i5f s ALA 122 Ca 0.50 -1.39 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 3i5f s ALA 122 Cb -0.19 -0.11 0.06 0.00 0.00 0.00 0.00 23.12 22.88 3i5f s ALA 122 CO 0.24 0.14 0.27 0.42 0.00 0.00 0.00 175.76 176.83 3i5f s ILE 123 N -2.19 -0.39 -0.56 0.00 1.01 -1.25 -1.10 121.20 116.72 3i5f s ILE 123 Ca 0.12 0.26 -0.33 0.00 0.00 0.00 0.00 60.65 60.71 3i5f s ILE 123 Cb -0.05 -0.45 -0.14 0.00 0.01 0.00 0.00 42.46 41.84 3i5f s ILE 123 CO 0.04 0.11 2.36 -3.20 0.00 0.00 0.00 174.94 174.26 3i5f n ASN 124 N 5.25 1.58 0.09 3.58 4.05 -0.68 -4.72 115.26 124.40 3i5f n ASN 124 Ca -0.08 0.18 -0.14 0.00 0.45 0.00 0.00 54.58 54.99 3i5f n ASN 124 Cb 0.50 -1.21 -0.07 0.00 1.23 0.00 0.00 39.78 40.23 3i5f n ASN 124 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3i5f h PRO 125 N 13.53 -0.59 -3.28 1.20 0.13 -1.96 -3.43 132.00 137.60 3i5f h PRO 125 Ca -0.19 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 3i5f h PRO 125 Cb 1.32 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.58 3i5f h PRO 125 CO 1.15 -0.39 -0.02 0.66 -0.23 0.00 0.00 178.00 179.17 3i5f n TYR 126 N -5.45 -0.38 0.00 1.56 0.53 -1.26 -3.94 117.16 108.22 3i5f n TYR 126 Ca -0.06 0.15 0.00 0.00 -1.02 0.00 0.00 57.90 56.96 3i5f n TYR 126 Cb 0.37 -1.81 0.00 0.00 -1.03 0.00 0.00 39.34 36.87 3i5f n TYR 126 CO 0.00 0.00 0.00 2.89 -1.02 0.00 0.00 176.86 178.73 3i5f n ARG 127 N -0.91 0.00 -1.65 -0.72 1.85 -1.26 -3.97 116.66 110.00 3i5f n ARG 127 Ca 0.00 0.00 -0.46 0.00 -1.00 0.00 0.00 57.85 56.39 3i5f n ARG 127 Cb 0.37 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.74 3i5f n ARG 127 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3i5f n ARG 128 N -0.74 1.83 -4.40 2.89 1.74 -1.26 -4.99 116.66 111.73 3i5f n ARG 128 Ca 0.00 0.65 -0.22 0.00 -0.77 0.00 0.00 57.85 57.51 3i5f n ARG 128 Cb 0.00 -2.29 -0.10 0.00 -1.02 0.00 0.00 32.46 29.04 3i5f n ARG 128 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3i5f s LEU 129 N 0.36 2.54 0.00 0.55 1.43 -1.26 -5.04 118.68 117.26 3i5f s LEU 129 Ca 0.72 -0.98 0.26 0.00 -1.03 0.00 0.00 54.13 53.09 3i5f s LEU 129 Cb -0.71 -0.92 0.60 0.00 0.03 0.00 0.00 46.19 45.19 3i5f s LEU 129 CO 0.48 -0.03 1.48 -0.81 0.23 0.00 0.00 176.35 177.70 3i5f n PRO 130 N -0.31 0.09 -0.44 1.29 -0.04 -1.26 -4.31 135.00 130.02 3i5f n PRO 130 Ca -0.08 -0.05 0.34 0.00 -0.04 0.00 0.00 63.50 63.68 3i5f n PRO 130 Cb 0.59 -1.50 0.54 0.00 -0.04 0.00 0.00 33.50 33.09 3i5f n PRO 130 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3i5f n ILE 131 N -1.42 -0.06 -1.09 0.52 5.41 -1.26 -1.28 119.36 120.18 3i5f n ILE 131 Ca 0.06 1.12 -0.04 0.00 1.00 0.00 0.00 62.75 64.89 3i5f n ILE 131 Cb 0.34 -1.86 0.29 0.00 -0.71 0.00 0.00 39.64 37.69 3i5f n ILE 131 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 3i5f n TYR 132 N -3.61 2.14 -1.99 1.39 4.02 -1.26 -4.90 117.16 112.95 3i5f n TYR 132 Ca 0.30 -1.23 -0.33 0.00 -0.01 0.00 0.00 57.90 56.63 3i5f n TYR 132 Cb 1.30 -0.63 0.02 0.00 -0.02 0.00 0.00 39.34 40.01 3i5f n TYR 132 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3i5f s THR 133 N -3.02 3.70 0.09 -0.72 -4.23 -0.40 -4.95 115.64 106.12 3i5f s THR 133 Ca 0.52 0.80 -0.32 0.00 -1.18 0.00 0.00 61.69 61.52 3i5f s THR 133 Cb 0.43 -3.33 -0.14 0.00 1.34 0.00 0.00 72.50 70.80 3i5f s THR 133 CO 0.11 -0.48 1.61 1.56 -0.54 0.00 0.00 174.62 176.88 3i5f h GLN 134 N 0.35 -0.74 -1.13 3.99 4.20 -1.94 -1.22 115.11 118.62 3i5f h GLN 134 Ca -0.47 0.05 0.33 0.00 0.06 0.00 0.00 58.65 58.62 3i5f h GLN 134 Cb 1.23 0.17 -0.05 0.00 0.30 0.00 0.00 27.48 29.13 3i5f h GLN 134 CO 0.57 -0.49 0.95 0.78 -0.67 0.00 0.00 178.83 179.97 3i5f h GLY 135 N -0.76 0.00 1.82 3.46 0.00 -1.99 2.07 103.07 107.67 3i5f h GLY 135 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.15 3i5f h GLY 135 CO -0.05 0.00 -0.65 1.41 0.00 0.00 0.00 176.54 177.25 3i5f h LEU 136 N 0.00 0.21 0.08 3.11 3.38 -1.58 -2.64 115.31 117.86 3i5f h LEU 136 Ca 0.54 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.39 3i5f h LEU 136 Cb 2.43 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 43.09 3i5f h LEU 136 CO -0.01 0.80 -0.29 0.58 0.09 0.00 0.00 178.44 179.61 3i5f h VAL 137 N 0.13 0.00 -0.32 1.22 2.07 0.36 0.42 116.25 120.13 3i5f h VAL 137 Ca -0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.57 3i5f h VAL 137 Cb 1.17 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.85 3i5f h VAL 137 CO 0.10 0.00 -0.39 0.44 0.02 0.00 0.00 177.57 177.73 3i5f h ASP 138 N -0.43 -1.29 -0.97 0.57 3.32 -1.51 1.32 116.42 117.44 3i5f h ASP 138 Ca -0.01 0.20 0.22 0.00 0.02 0.00 0.00 57.03 57.46 3i5f h ASP 138 Cb 0.43 0.56 -0.12 0.00 0.22 0.00 0.00 39.33 40.42 3i5f h ASP 138 CO -0.15 -0.37 0.54 0.11 -1.72 0.00 0.00 179.24 177.65 3i5f h LYS 139 N -0.35 0.55 0.00 3.56 1.57 -1.06 0.14 116.57 120.98 3i5f h LYS 139 Ca 0.13 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3i5f h LYS 139 Cb 0.58 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3i5f h LYS 139 CO -0.51 0.37 -0.25 1.88 -0.57 0.00 0.00 179.45 180.37 3i5f h TYR 140 N 0.57 0.00 -2.79 -1.35 -1.99 0.59 -3.46 116.97 108.55 3i5f h TYR 140 Ca 0.60 0.00 -0.42 0.00 2.00 0.00 0.00 58.73 60.91 3i5f h TYR 140 Cb 1.10 0.00 0.22 0.00 2.00 0.00 0.00 36.73 40.05 3i5f h TYR 140 CO -0.04 0.00 -0.39 -2.13 -0.00 0.00 0.00 178.16 175.60 3i5f n ARG 141 N -2.27 -2.60 0.00 4.88 3.00 0.27 -3.38 116.66 116.57 3i5f n ARG 141 Ca 0.04 -0.74 0.00 0.00 -0.00 0.00 0.00 57.85 57.15 3i5f n ARG 141 Cb 0.44 -1.96 0.00 0.00 0.00 0.00 0.00 32.46 30.94 3i5f n ARG 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i5f n GLY 142 N 1.53 0.00 3.79 5.14 0.00 -1.26 -4.89 105.19 109.49 3i5f n GLY 142 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3i5f n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i5f s LYS 143 N 0.00 4.46 0.87 1.61 1.02 -1.22 -5.03 119.74 121.45 3i5f s LYS 143 Ca 0.00 1.03 -0.12 0.00 0.02 0.00 0.00 55.97 56.90 3i5f s LYS 143 Cb 0.00 -3.26 0.11 0.00 -0.52 0.00 0.00 37.83 34.17 3i5f s LYS 143 CO 0.00 0.59 1.14 0.54 -0.92 0.00 0.00 175.35 176.71 3i5f n ARG 144 N 1.64 -0.17 -0.26 1.68 1.74 -1.26 -4.68 116.66 115.35 3i5f n ARG 144 Ca -0.07 0.03 0.03 0.00 -0.77 0.00 0.00 57.85 57.07 3i5f n ARG 144 Cb 0.49 -2.38 0.17 0.00 -1.02 0.00 0.00 32.46 29.72 3i5f n ARG 144 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3i5f h ARG 145 N -1.44 0.59 0.00 5.56 2.43 -1.93 -2.81 114.38 116.78 3i5f h ARG 145 Ca -0.44 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3i5f h ARG 145 Cb 1.28 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3i5f h ARG 145 CO 0.43 0.39 0.00 0.00 -1.51 0.00 0.00 179.97 179.28 3i5f n ALA 146 N -2.42 2.40 0.41 2.80 0.00 -1.26 -3.09 120.51 119.34 3i5f n ALA 146 Ca 0.13 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.55 3i5f n ALA 146 Cb 0.33 -1.44 0.19 0.00 0.00 0.00 0.00 19.45 18.53 3i5f n ALA 146 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i5f h GLU 147 N 0.00 0.00 -5.17 0.00 5.08 -1.83 -3.47 114.58 109.19 3i5f h GLU 147 Ca 0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 3i5f h GLU 147 Cb 0.18 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.30 3i5f h GLU 147 CO 0.00 0.00 -0.53 1.41 -1.00 0.00 0.00 179.01 178.89 3i5f s MET 148 N -3.20 2.04 0.62 2.33 1.75 -1.18 -3.92 119.30 117.74 3i5f s MET 148 Ca 0.06 -2.27 -0.07 0.00 -1.25 0.00 0.00 55.69 52.17 3i5f s MET 148 Cb 0.10 -1.15 0.02 0.00 2.84 0.00 0.00 34.83 36.64 3i5f s MET 148 CO 0.69 -0.37 0.94 -2.14 -0.65 0.00 0.00 175.02 173.49 3i5f s PRO 149 N -3.80 2.83 0.16 4.11 0.02 -1.26 -4.80 135.00 132.26 3i5f s PRO 149 Ca 0.17 0.02 -0.34 0.00 0.02 0.00 0.00 61.00 60.87 3i5f s PRO 149 Cb 0.03 -2.23 -0.15 0.00 0.02 0.00 0.00 34.50 32.17 3i5f s PRO 149 CO 0.09 -0.80 1.45 -2.30 -0.33 0.00 0.00 177.00 175.12 3i5f n PRO 150 N -2.67 1.83 -3.65 5.54 -0.02 -1.26 -4.91 135.00 129.86 3i5f n PRO 150 Ca 0.05 0.66 -0.04 0.00 -2.02 0.00 0.00 63.50 62.15 3i5f n PRO 150 Cb 0.58 -2.35 -0.07 0.00 -0.02 0.00 0.00 33.50 31.64 3i5f n PRO 150 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3i5f s HIS 151 N 0.50 -0.12 0.05 6.00 2.46 -1.26 -4.77 115.29 118.14 3i5f s HIS 151 Ca 0.77 0.28 -0.11 0.00 0.47 0.00 0.00 55.06 56.47 3i5f s HIS 151 Cb -0.75 0.47 -0.03 0.00 -0.13 0.00 0.00 32.58 32.14 3i5f s HIS 151 CO 0.44 -0.06 1.19 1.25 -2.47 0.00 0.00 174.74 175.09 3i5f h LEU 152 N 3.23 -0.67 -1.03 8.88 5.85 -1.97 0.20 115.31 129.80 3i5f h LEU 152 Ca -0.26 0.09 0.35 0.00 0.84 0.00 0.00 57.88 58.90 3i5f h LEU 152 Cb 1.19 0.28 -0.09 0.00 0.37 0.00 0.00 40.66 42.41 3i5f h LEU 152 CO 0.17 -0.12 0.68 0.49 -0.34 0.00 0.00 178.44 179.32 3i5f n PHE 153 N -3.67 0.43 0.25 1.25 3.01 -1.26 -0.03 117.46 117.44 3i5f n PHE 153 Ca -0.01 0.44 -0.10 0.00 1.01 0.00 0.00 57.45 58.79 3i5f n PHE 153 Cb 0.11 -0.83 -0.05 0.00 -0.01 0.00 0.00 39.48 38.70 3i5f n PHE 153 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3i5f h SER 154 N 0.00 -0.57 -0.88 4.37 4.64 -0.89 -0.58 113.55 119.65 3i5f h SER 154 Ca 0.63 0.02 0.23 0.00 -0.47 0.00 0.00 61.79 62.20 3i5f h SER 154 Cb 2.10 0.15 -0.14 0.00 -0.31 0.00 0.00 62.40 64.19 3i5f h SER 154 CO -0.29 -0.22 0.26 0.40 -0.87 0.00 0.00 176.83 176.11 3i5f h ILE 155 N -1.03 0.33 0.15 0.95 1.08 -0.39 0.83 117.51 119.43 3i5f h ILE 155 Ca -0.07 -0.08 0.01 0.00 -0.39 0.00 0.00 64.86 64.34 3i5f h ILE 155 Cb 0.51 0.08 -0.03 0.00 -3.07 0.00 0.00 36.82 34.32 3i5f h ILE 155 CO 0.11 0.04 -0.28 0.00 -0.69 0.00 0.00 178.15 177.33 3i5f h ALA 156 N 1.77 -0.50 0.27 1.87 0.00 -0.77 -2.73 119.26 119.18 3i5f h ALA 156 Ca 0.55 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 3i5f h ALA 156 Cb 1.12 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.35 3i5f h ALA 156 CO -0.64 -0.83 -0.13 0.22 0.00 0.00 0.00 179.25 177.87 3i5f h ASP 157 N -0.51 -0.31 -1.52 0.00 1.82 0.11 -2.05 116.42 113.96 3i5f h ASP 157 Ca 0.02 0.01 0.46 0.00 -0.39 0.00 0.00 57.03 57.14 3i5f h ASP 157 Cb 0.53 0.08 -0.10 0.00 0.68 0.00 0.00 39.33 40.52 3i5f h ASP 157 CO -0.14 -0.20 1.04 0.78 -1.61 0.00 0.00 179.24 179.11 3i5f h ASN 158 N -0.40 0.13 0.56 2.28 2.35 0.38 1.76 115.58 122.64 3i5f h ASN 158 Ca -0.04 0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 3i5f h ASN 158 Cb 0.28 0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.72 3i5f h ASN 158 CO 0.06 -0.09 -0.31 0.00 -1.65 0.00 0.00 177.43 175.45 3i5f h ALA 159 N 1.37 -1.18 -0.79 -0.83 0.00 -1.21 0.93 119.26 117.56 3i5f h ALA 159 Ca 0.82 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 55.74 3i5f h ALA 159 Cb 2.91 0.38 -0.13 0.00 0.00 0.00 0.00 17.79 20.95 3i5f h ALA 159 CO -0.22 -1.13 0.06 -0.92 0.00 0.00 0.00 179.25 177.04 3i5f h TYR 160 N -0.80 0.05 0.00 0.00 3.20 0.30 0.25 116.97 119.98 3i5f h TYR 160 Ca -0.08 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3i5f h TYR 160 Cb 0.62 0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.00 3i5f h TYR 160 CO 0.03 -0.23 0.00 1.04 -1.64 0.00 0.00 178.16 177.36 3i5f n GLN 161 N -5.31 0.00 -0.66 1.82 6.02 0.26 -1.58 117.38 117.93 3i5f n GLN 161 Ca 0.15 0.21 0.50 0.00 -0.01 0.00 0.00 57.00 57.85 3i5f n GLN 161 Cb 0.52 -1.02 0.78 0.00 1.02 0.00 0.00 30.24 31.54 3i5f n GLN 161 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3i5f n TYR 162 N -0.75 0.07 0.09 1.08 4.02 0.28 0.13 117.16 122.07 3i5f n TYR 162 Ca 0.00 0.07 -0.06 0.00 -0.01 0.00 0.00 57.90 57.90 3i5f n TYR 162 Cb 0.00 -0.54 -0.03 0.00 -0.02 0.00 0.00 39.34 38.75 3i5f n TYR 162 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 176.86 177.83 3i5f h MET 163 N 0.00 -0.30 -0.32 -0.72 4.05 0.52 -1.50 114.93 116.65 3i5f h MET 163 Ca 0.90 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 60.39 3i5f h MET 163 Cb 3.55 0.07 -0.08 0.00 -0.80 0.00 0.00 31.60 34.34 3i5f h MET 163 CO -0.05 -0.20 -0.49 -0.07 0.23 0.00 0.00 176.91 176.33 3i5f h LEU 164 N -0.31 -1.60 -1.58 3.39 3.38 0.14 -0.37 115.31 118.36 3i5f h LEU 164 Ca -0.02 0.22 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 3i5f h LEU 164 Cb 0.27 0.66 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3i5f h LEU 164 CO -0.02 -0.41 -0.06 -0.61 0.09 0.00 0.00 178.44 177.43 3i5f h GLN 165 N -0.42 0.19 -0.22 1.13 4.15 -1.55 -2.86 115.11 115.53 3i5f h GLN 165 Ca 0.09 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.48 3i5f h GLN 165 Cb 0.61 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.27 3i5f h GLN 165 CO -0.54 0.27 0.00 -0.25 -1.93 0.00 0.00 178.83 176.38 3i5f n ASP 166 N -4.36 3.26 -1.07 -0.69 9.92 -0.57 -4.93 116.55 118.12 3i5f n ASP 166 Ca -0.01 -2.00 -0.04 0.00 -0.53 0.00 0.00 54.79 52.22 3i5f n ASP 166 Cb 0.20 -0.14 -0.02 0.00 -0.64 0.00 0.00 41.12 40.53 3i5f n ASP 166 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3i5f n ARG 167 N 1.44 -1.11 -3.75 -1.24 5.12 -0.18 -4.92 116.66 112.01 3i5f n ARG 167 Ca 0.17 0.21 -0.24 0.00 -1.93 0.00 0.00 57.85 56.06 3i5f n ARG 167 Cb 0.61 -4.24 -0.01 0.00 -1.16 0.00 0.00 32.46 27.66 3i5f n ARG 167 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 3i5f s GLU 168 N -2.24 2.32 0.39 5.56 -1.05 -1.22 -4.96 118.70 117.48 3i5f s GLU 168 Ca 0.00 -1.87 -0.20 0.00 -0.15 0.00 0.00 54.97 52.75 3i5f s GLU 168 Cb 0.00 -2.20 -0.10 0.00 -0.44 0.00 0.00 34.13 31.38 3i5f s GLU 168 CO 0.00 -0.52 0.88 -0.80 0.95 0.00 0.00 175.26 175.77 3i5f s ASN 169 N -4.26 6.92 -0.19 0.83 0.01 -1.26 -4.57 114.94 112.42 3i5f s ASN 169 Ca 0.40 1.58 0.01 0.00 -0.71 0.00 0.00 52.86 54.14 3i5f s ASN 169 Cb -0.02 -2.49 0.02 0.00 0.41 0.00 0.00 41.25 39.17 3i5f s ASN 169 CO 0.24 -0.29 -0.18 -1.10 -1.51 0.00 0.00 177.10 174.27 3i5f s GLN 170 N -3.01 2.93 -0.08 -0.60 -1.52 0.24 0.22 119.66 117.82 3i5f s GLN 170 Ca 0.58 -0.88 0.04 0.00 -1.95 0.00 0.00 55.36 53.16 3i5f s GLN 170 Cb -0.10 -2.64 -0.01 0.00 -0.22 0.00 0.00 33.01 30.04 3i5f s GLN 170 CO 0.15 -0.25 -0.22 -1.54 -0.25 0.00 0.00 175.29 173.17 3i5f s SER 171 N 1.28 3.25 -0.21 5.90 1.04 0.16 0.24 113.70 125.36 3i5f s SER 171 Ca 0.03 -0.49 -0.01 0.00 0.48 0.00 0.00 55.95 55.96 3i5f s SER 171 Cb -0.14 -1.18 0.01 0.00 0.10 0.00 0.00 66.02 64.81 3i5f s SER 171 CO -0.11 0.20 -0.11 -0.04 0.98 0.00 0.00 173.24 174.16 3i5f s MET 172 N 0.09 3.09 -1.09 4.02 -1.94 -0.03 0.03 119.30 123.47 3i5f s MET 172 Ca -0.10 -0.79 -0.06 0.00 -1.71 0.00 0.00 55.69 53.02 3i5f s MET 172 Cb -0.16 -2.83 0.29 0.00 2.01 0.00 0.00 34.83 34.15 3i5f s MET 172 CO 0.06 -0.25 1.30 1.28 -0.01 0.00 0.00 175.02 177.40 3i5f n LEU 173 N 4.69 5.97 -4.68 -0.03 4.77 0.62 -0.64 117.00 127.71 3i5f n LEU 173 Ca -0.19 -5.14 -0.42 0.00 -0.03 0.00 0.00 56.01 50.23 3i5f n LEU 173 Cb 0.50 -1.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.20 3i5f n LEU 173 CO 0.27 1.54 0.99 -0.63 -1.33 0.00 0.00 177.39 178.23 3i5f s ILE 174 N -2.10 4.23 0.00 -0.08 1.01 -0.43 -3.71 121.20 120.12 3i5f s ILE 174 Ca 0.31 1.55 0.00 0.00 0.00 0.00 0.00 60.65 62.51 3i5f s ILE 174 Cb -0.02 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.46 3i5f s ILE 174 CO 0.02 -0.03 0.00 0.41 0.00 0.00 0.00 174.94 175.34 3i5f n THR 175 N 4.78 0.00 0.00 2.92 -1.04 -0.87 -3.56 114.28 116.51 3i5f n THR 175 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 3i5f n THR 175 Cb 0.46 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 3i5f n THR 175 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i5f n GLY 176 N 5.00 0.46 0.00 3.41 0.00 -1.26 -3.59 105.19 109.22 3i5f n GLY 176 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.20 3i5f n GLY 176 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i5f n GLU 177 N 0.68 -1.16 -2.71 1.61 1.02 -1.26 -3.30 120.64 115.51 3i5f n GLU 177 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 3i5f n GLU 177 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 3i5f n GLU 177 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3i5f s SER 178 N -1.68 7.51 -0.94 1.62 0.15 -1.26 -3.53 113.70 115.57 3i5f s SER 178 Ca 0.00 1.88 0.00 0.00 0.70 0.00 0.00 55.95 58.53 3i5f s SER 178 Cb 0.00 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 3i5f s SER 178 CO 0.00 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.03 3i5f n GLY 179 N 2.00 0.23 1.20 9.45 0.00 -1.26 -4.86 105.19 111.96 3i5f n GLY 179 Ca 0.01 -0.47 0.09 0.00 0.00 0.00 0.00 46.02 45.65 3i5f n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5f n ALA 180 N -0.87 2.63 -3.00 4.61 0.00 -1.23 -4.74 120.51 117.91 3i5f n ALA 180 Ca -0.12 -1.46 -0.13 0.00 0.00 0.00 0.00 53.44 51.73 3i5f n ALA 180 Cb 0.53 -0.80 0.06 0.00 0.00 0.00 0.00 19.45 19.24 3i5f n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5f n GLY 181 N 0.96 -0.73 0.08 0.00 0.00 -1.26 -3.87 105.19 100.38 3i5f n GLY 181 Ca 0.21 0.38 -0.01 0.00 0.00 0.00 0.00 46.02 46.60 3i5f n GLY 181 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3i5f n LYS 182 N -3.05 0.64 0.10 1.61 2.85 -1.26 -3.40 118.16 115.65 3i5f n LYS 182 Ca -0.09 0.11 0.12 0.00 -1.05 0.00 0.00 58.31 57.41 3i5f n LYS 182 Cb 0.61 -1.70 0.45 0.00 -0.65 0.00 0.00 35.03 33.74 3i5f n LYS 182 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 3i5f n THR 183 N -2.77 0.68 0.02 0.58 -1.04 -1.26 -1.35 114.28 109.14 3i5f n THR 183 Ca -0.15 0.01 -0.19 0.00 -2.04 0.00 0.00 64.05 61.68 3i5f n THR 183 Cb 0.89 -0.86 -0.14 0.00 -1.82 0.00 0.00 70.33 68.39 3i5f n THR 183 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3i5f h GLU 184 N 0.00 0.23 -0.03 -2.82 4.39 -1.94 -3.22 114.58 111.19 3i5f h GLU 184 Ca 0.00 -0.40 -0.00 0.00 0.34 0.00 0.00 59.36 59.29 3i5f h GLU 184 Cb 0.51 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.31 3i5f h GLU 184 CO 0.00 1.19 -0.00 -0.91 -1.16 0.00 0.00 179.01 178.13 3i5f h ASN 185 N -0.50 0.05 -0.10 1.42 2.35 -1.58 -3.19 115.58 114.03 3i5f h ASN 185 Ca -0.13 -0.35 0.01 0.00 -0.55 0.00 0.00 56.30 55.28 3i5f h ASN 185 Cb 1.52 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.87 3i5f h ASN 185 CO 0.11 0.38 -0.06 0.41 -1.65 0.00 0.00 177.43 176.63 3i5f n THR 186 N -4.89 -0.07 0.00 2.81 -1.04 -0.45 0.22 114.28 110.86 3i5f n THR 186 Ca -0.08 1.57 0.00 0.00 -2.04 0.00 0.00 64.05 63.50 3i5f n THR 186 Cb 0.20 -2.07 0.00 0.00 -1.82 0.00 0.00 70.33 66.64 3i5f n THR 186 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3i5f n LYS 187 N -3.21 0.00 -0.06 -2.82 5.02 -1.22 0.67 118.16 116.55 3i5f n LYS 187 Ca 0.00 0.29 -0.02 0.00 -2.02 0.00 0.00 58.31 56.56 3i5f n LYS 187 Cb 0.03 -1.52 -0.01 0.00 -0.02 0.00 0.00 35.03 33.50 3i5f n LYS 187 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3i5f h LYS 188 N 0.00 0.00 -0.36 1.97 1.79 0.27 -0.01 116.57 120.23 3i5f h LYS 188 Ca 0.00 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.51 3i5f h LYS 188 Cb 0.04 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.62 3i5f h LYS 188 CO 0.00 0.06 -0.53 0.28 -1.08 0.00 0.00 179.45 178.19 3i5f h VAL 189 N -1.00 0.00 -0.53 0.50 2.07 0.15 1.84 116.25 119.28 3i5f h VAL 189 Ca -0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.59 3i5f h VAL 189 Cb 0.22 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.93 3i5f h VAL 189 CO -0.00 0.00 0.18 0.40 0.02 0.00 0.00 177.57 178.17 3i5f h ILE 190 N -0.40 0.80 0.00 4.57 1.08 0.11 0.91 117.51 124.59 3i5f h ILE 190 Ca 0.06 -0.12 -0.01 0.00 -0.39 0.00 0.00 64.86 64.40 3i5f h ILE 190 Cb 0.57 0.41 -0.00 0.00 -3.07 0.00 0.00 36.82 34.74 3i5f h ILE 190 CO -0.55 0.06 -0.07 1.56 -0.69 0.00 0.00 178.15 178.47 3i5f h GLN 191 N 0.35 0.00 0.00 2.37 4.20 0.13 -2.69 115.11 119.48 3i5f h GLN 191 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 3i5f h GLN 191 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 3i5f h GLN 191 CO -0.27 0.07 0.00 0.98 -0.67 0.00 0.00 178.83 178.94 3i5f n TYR 192 N -4.27 0.00 -0.53 2.96 9.36 0.60 -2.63 117.16 122.65 3i5f n TYR 192 Ca -0.03 0.00 0.43 0.00 3.32 0.00 0.00 57.90 61.63 3i5f n TYR 192 Cb 0.15 -0.17 0.72 0.00 -0.63 0.00 0.00 39.34 39.41 3i5f n TYR 192 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 3i5f h PHE 193 N 0.00 0.31 -0.07 2.98 0.05 -1.49 1.15 116.94 119.87 3i5f h PHE 193 Ca 0.00 0.01 0.02 0.00 3.82 0.00 0.00 57.97 61.83 3i5f h PHE 193 Cb 0.00 -0.07 -0.00 0.00 2.00 0.00 0.00 35.95 37.87 3i5f h PHE 193 CO 0.03 -0.14 0.06 0.00 -0.18 0.00 0.00 178.31 178.08 3i5f h ALA 194 N 1.39 1.84 0.00 2.45 0.00 -1.23 0.13 119.26 123.84 3i5f h ALA 194 Ca 0.86 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.77 3i5f h ALA 194 Cb 3.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.82 3i5f h ALA 194 CO -0.27 -0.10 -0.15 1.28 0.00 0.00 0.00 179.25 180.01 3i5f n LEU 195 N -4.15 0.40 -0.12 0.00 4.77 0.39 -3.06 117.00 115.23 3i5f n LEU 195 Ca -0.01 0.23 -0.03 0.00 -0.03 0.00 0.00 56.01 56.16 3i5f n LEU 195 Cb 0.17 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 3i5f n LEU 195 CO 0.31 -0.48 0.30 0.52 -1.33 0.00 0.00 177.39 176.71 3i5f n VAL 196 N -2.83 -0.20 0.10 4.08 0.31 -0.94 -2.12 118.33 116.74 3i5f n VAL 196 Ca -0.02 1.18 -0.03 0.00 -0.01 0.00 0.00 64.34 65.46 3i5f n VAL 196 Cb 0.08 -1.51 -0.02 0.00 -0.91 0.00 0.00 33.84 31.48 3i5f n VAL 196 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i5f h ALA 197 N -0.18 0.54 -0.51 3.52 0.00 -0.98 -3.48 119.26 118.17 3i5f h ALA 197 Ca 0.05 -0.72 -0.17 0.00 0.00 0.00 0.00 54.91 54.07 3i5f h ALA 197 Cb 0.12 -0.13 0.05 0.00 0.00 0.00 0.00 17.79 17.83 3i5f h ALA 197 CO -0.27 0.98 -0.29 0.00 0.00 0.00 0.00 179.25 179.67 3i5f n ALA 198 N -2.32 -1.86 -1.91 0.00 0.00 -0.90 -4.03 120.51 109.49 3i5f n ALA 198 Ca 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.33 3i5f n ALA 198 Cb 0.83 -0.41 0.10 0.00 0.00 0.00 0.00 19.45 19.96 3i5f n ALA 198 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i5f n SER 199 N 0.68 0.36 -3.50 0.00 3.41 -1.26 -4.84 113.62 108.46 3i5f n SER 199 Ca 0.03 -1.44 -0.27 0.00 -0.26 0.00 0.00 58.87 56.93 3i5f n SER 199 Cb 0.12 -0.51 -0.10 0.00 -0.26 0.00 0.00 64.21 63.45 3i5f n SER 199 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3i5f n LEU 200 N 0.00 0.56 0.00 1.04 4.77 -1.26 -5.14 117.00 116.97 3i5f n LEU 200 Ca 0.10 -4.64 0.00 0.00 -0.03 0.00 0.00 56.01 51.44 3i5f n LEU 200 Cb 0.35 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 3i5f n LEU 200 CO 0.24 1.86 0.00 0.00 -1.33 0.00 0.00 177.39 178.16 3i5f n ALA 201 N 2.45 0.00 -0.11 -1.18 0.00 -1.26 -5.29 120.51 115.12 3i5f n ALA 201 Ca 0.27 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.51 3i5f n ALA 201 Cb 0.45 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.81 3i5f n ALA 201 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3i5f n GLU 215 N 0.00 0.55 0.00 0.00 0.28 -1.26 -5.18 120.64 115.03 3i5f n GLU 215 Ca 0.00 0.46 0.00 0.00 -0.16 0.00 0.00 57.16 57.46 3i5f n GLU 215 Cb 0.00 -1.65 0.00 0.00 1.43 0.00 0.00 31.44 31.22 3i5f n GLU 215 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3i5f n LYS 216 N -4.42 0.21 -3.84 3.44 5.02 -1.26 -4.81 118.16 112.50 3i5f n LYS 216 Ca -0.33 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.64 3i5f n LYS 216 Cb 0.66 -1.01 -0.05 0.00 -0.02 0.00 0.00 35.03 34.61 3i5f n LYS 216 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3i5f s LYS 217 N -1.92 3.50 0.00 1.97 1.02 -1.26 -3.46 119.74 119.59 3i5f s LYS 217 Ca 0.00 -0.26 0.00 0.00 0.02 0.00 0.00 55.97 55.73 3i5f s LYS 217 Cb 0.00 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.28 3i5f s LYS 217 CO 0.00 0.61 0.00 0.41 -0.92 0.00 0.00 175.35 175.45 3i5f n GLY 218 N 0.63 -0.86 3.64 -3.33 0.00 0.01 -4.98 105.19 100.30 3i5f n GLY 218 Ca -0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 3i5f n GLY 218 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i5f s THR 219 N 0.00 0.00 0.51 2.61 2.01 -1.26 -4.90 115.64 114.61 3i5f s THR 219 Ca 0.00 0.00 0.23 0.00 0.31 0.00 0.00 61.69 62.23 3i5f s THR 219 Cb 0.00 -1.00 0.38 0.00 0.01 0.00 0.00 72.50 71.89 3i5f s THR 219 CO 0.00 0.00 1.99 0.25 -0.69 0.00 0.00 174.62 176.17 3i5f h LEU 220 N 2.05 0.08 0.12 4.42 5.85 -1.97 1.15 115.31 127.00 3i5f h LEU 220 Ca -0.08 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.34 3i5f h LEU 220 Cb 1.19 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 3i5f h LEU 220 CO 0.22 0.04 -1.61 -0.33 -0.34 0.00 0.00 178.44 176.42 3i5f h GLU 221 N 0.09 0.25 -0.39 1.25 3.07 -1.95 -1.99 114.58 114.91 3i5f h GLU 221 Ca 0.26 -0.42 0.08 0.00 -0.50 0.00 0.00 59.36 58.77 3i5f h GLU 221 Cb 0.91 0.16 -0.07 0.00 -0.84 0.00 0.00 28.75 28.91 3i5f h GLU 221 CO -0.02 1.20 -0.08 -0.44 -1.40 0.00 0.00 179.01 178.27 3i5f h ASP 222 N -0.21 -0.32 -0.14 1.42 5.19 -1.64 -1.82 116.42 118.90 3i5f h ASP 222 Ca -0.35 0.11 -0.07 0.00 -0.62 0.00 0.00 57.03 56.10 3i5f h ASP 222 Cb 1.84 0.23 -0.02 0.00 0.18 0.00 0.00 39.33 41.56 3i5f h ASP 222 CO 0.06 -0.11 -0.11 1.56 -3.12 0.00 0.00 179.24 177.51 3i5f h GLN 223 N 0.02 0.48 -0.97 3.56 4.20 0.12 -2.66 115.11 119.87 3i5f h GLN 223 Ca 0.19 -0.13 0.07 0.00 0.06 0.00 0.00 58.65 58.83 3i5f h GLN 223 Cb 0.28 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 27.94 3i5f h GLN 223 CO -0.38 0.60 0.63 0.82 -0.67 0.00 0.00 178.83 179.82 3i5f h ILE 224 N 0.45 1.08 0.05 2.54 2.04 -0.53 -3.14 117.51 120.00 3i5f h ILE 224 Ca 0.09 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 3i5f h ILE 224 Cb 0.47 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 3i5f h ILE 224 CO 0.03 0.20 -0.02 0.58 0.00 0.00 0.00 178.15 178.94 3i5f h VAL 225 N 1.12 1.16 0.00 1.67 2.07 -1.24 -3.19 116.25 117.84 3i5f h VAL 225 Ca 0.42 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3i5f h VAL 225 Cb 0.19 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3i5f h VAL 225 CO -0.16 0.17 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3i5f n GLN 226 N -4.98 0.00 -0.14 1.57 1.13 -1.11 -2.46 117.38 111.39 3i5f n GLN 226 Ca -0.08 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.86 3i5f n GLN 226 Cb 0.18 -1.22 -0.02 0.00 0.11 0.00 0.00 30.24 29.29 3i5f n GLN 226 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i5f h ASN 228 N 0.68 -1.21 -0.13 0.00 2.35 -1.76 0.24 115.58 115.74 3i5f h ASN 228 Ca 0.09 0.14 0.01 0.00 -0.55 0.00 0.00 56.30 56.00 3i5f h ASN 228 Cb 0.75 0.47 -0.02 0.00 0.05 0.00 0.00 38.32 39.57 3i5f h ASN 228 CO 0.06 -0.46 -0.15 -0.65 -1.65 0.00 0.00 177.43 174.58 3i5f h PRO 229 N -0.59 -0.09 -1.00 0.81 0.11 -1.81 1.55 132.00 130.99 3i5f h PRO 229 Ca 0.04 0.01 0.11 0.00 0.11 0.00 0.00 66.00 66.26 3i5f h PRO 229 Cb 0.65 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 31.70 3i5f h PRO 229 CO -0.28 -0.06 0.63 0.28 -0.21 0.00 0.00 178.00 178.36 3i5f h VAL 230 N -0.09 0.96 -0.05 3.15 2.07 -1.64 0.37 116.25 121.02 3i5f h VAL 230 Ca 0.02 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 3i5f h VAL 230 Cb 0.15 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.76 3i5f h VAL 230 CO -0.17 0.19 -0.11 -0.07 0.02 0.00 0.00 177.57 177.42 3i5f h LEU 231 N 1.03 0.19 -1.37 2.57 3.38 0.32 -3.31 115.31 118.13 3i5f h LEU 231 Ca 0.48 -0.58 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 3i5f h LEU 231 Cb 0.41 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3i5f h LEU 231 CO -0.24 0.73 -0.31 -0.33 0.09 0.00 0.00 178.44 178.38 3i5f h GLU 232 N -0.35 0.00 0.00 1.13 5.08 0.29 1.55 114.58 122.28 3i5f h GLU 232 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i5f h GLU 232 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3i5f h GLU 232 CO 0.02 0.31 0.00 0.00 -1.00 0.00 0.00 179.01 178.35 3i5f n ALA 233 N -2.44 1.46 0.00 3.43 0.00 0.12 -0.82 120.51 122.25 3i5f n ALA 233 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3i5f n ALA 233 Cb 0.37 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3i5f n ALA 233 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i5f n TYR 234 N -1.46 0.00 -0.06 0.00 4.02 -0.07 -0.91 117.16 118.68 3i5f n TYR 234 Ca 0.03 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.89 3i5f n TYR 234 Cb 0.10 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.26 3i5f n TYR 234 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i5f n GLY 235 N 1.35 -1.01 3.92 2.72 0.00 0.51 -4.91 105.19 107.77 3i5f n GLY 235 Ca 0.00 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 3i5f n GLY 235 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i5f s ASN 236 N -5.17 6.19 -0.19 1.61 0.01 -0.00 -1.97 114.94 115.41 3i5f s ASN 236 Ca -0.09 0.11 -0.28 0.00 -0.71 0.00 0.00 52.86 51.89 3i5f s ASN 236 Cb 0.09 -1.82 0.10 0.00 0.41 0.00 0.00 41.25 40.02 3i5f s ASN 236 CO 0.86 0.05 0.86 0.00 -1.51 0.00 0.00 177.10 177.35 3i5f s ALA 237 N -1.75 -1.86 0.15 0.60 0.00 -0.97 -1.08 121.76 116.85 3i5f s ALA 237 Ca 0.34 1.71 -0.34 0.00 0.00 0.00 0.00 51.96 53.67 3i5f s ALA 237 Cb -0.11 -0.85 -0.14 0.00 0.00 0.00 0.00 23.12 22.02 3i5f s ALA 237 CO 0.28 -0.31 1.53 1.17 0.00 0.00 0.00 175.76 178.42 3i5f n LYS 238 N 1.67 1.98 -4.23 0.00 4.81 -1.24 -3.41 118.16 117.73 3i5f n LYS 238 Ca -0.14 0.71 -0.13 0.00 -0.87 0.00 0.00 58.31 57.88 3i5f n LYS 238 Cb 0.56 -2.45 -0.10 0.00 0.02 0.00 0.00 35.03 33.06 3i5f n LYS 238 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3i5f s THR 239 N 0.79 0.93 0.11 3.15 2.01 -0.66 -1.98 115.64 119.99 3i5f s THR 239 Ca 0.79 -2.01 -0.28 0.00 0.31 0.00 0.00 61.69 60.50 3i5f s THR 239 Cb -0.72 -1.90 -0.10 0.00 0.01 0.00 0.00 72.50 69.79 3i5f s THR 239 CO 0.40 -0.69 1.63 0.74 -0.69 0.00 0.00 174.62 176.01 3i5f h THR 240 N 2.78 0.39 0.00 -0.82 2.02 -1.94 -2.73 112.91 112.61 3i5f h THR 240 Ca -0.36 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.78 3i5f h THR 240 Cb 1.19 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 3i5f h THR 240 CO 0.64 0.00 -0.18 0.03 0.37 0.00 0.00 175.52 176.37 3i5f h ARG 241 N -0.53 0.00 -2.54 6.66 2.47 -1.96 -3.43 114.38 115.05 3i5f h ARG 241 Ca 0.02 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.64 3i5f h ARG 241 Cb 0.53 0.00 -0.26 0.00 -1.65 0.00 0.00 29.97 28.60 3i5f h ARG 241 CO -0.13 0.18 -0.25 1.21 0.56 0.00 0.00 179.97 181.55 3i5f s ASN 242 N -6.76 -0.58 0.30 7.04 2.47 -1.03 -4.61 114.94 111.77 3i5f s ASN 242 Ca -0.04 1.00 0.25 0.00 0.42 0.00 0.00 52.86 54.49 3i5f s ASN 242 Cb 0.15 0.89 1.05 0.00 -1.45 0.00 0.00 41.25 41.89 3i5f s ASN 242 CO 0.67 -0.20 1.74 0.78 -3.72 0.00 0.00 177.10 176.36 3i5f h ASN 243 N 7.13 0.00 -0.86 -4.21 2.35 -1.85 -1.72 115.58 116.42 3i5f h ASN 243 Ca -0.35 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 54.90 3i5f h ASN 243 Cb 1.19 0.00 -0.42 0.00 0.05 0.00 0.00 38.32 39.14 3i5f h ASN 243 CO 0.27 0.00 -0.87 -3.20 -1.65 0.00 0.00 177.43 171.98 3i5f n ASN 244 N -2.33 4.15 -4.67 5.81 5.15 -1.26 -3.66 115.26 118.46 3i5f n ASN 244 Ca 0.02 -3.41 -0.46 0.00 -0.60 0.00 0.00 54.58 50.13 3i5f n ASN 244 Cb 0.22 -0.40 -0.04 0.00 -0.53 0.00 0.00 39.78 39.03 3i5f n ASN 244 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 3i5f n SER 245 N -0.61 2.89 -4.56 1.20 2.88 -1.14 -4.72 113.62 109.57 3i5f n SER 245 Ca 0.35 1.11 -0.41 0.00 -1.33 0.00 0.00 58.87 58.60 3i5f n SER 245 Cb 0.87 -1.42 -0.03 0.00 -0.75 0.00 0.00 64.21 62.89 3i5f n SER 245 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3i5f s SER 246 N 0.63 5.97 -0.04 -3.46 0.01 -1.26 -2.29 113.70 113.26 3i5f s SER 246 Ca 0.74 -0.13 0.03 0.00 1.31 0.00 0.00 55.95 57.91 3i5f s SER 246 Cb -0.68 -2.55 0.15 0.00 0.21 0.00 0.00 66.02 63.15 3i5f s SER 246 CO 0.43 -1.92 0.78 0.54 0.41 0.00 0.00 173.24 173.48 3i5f n ARG 247 N 9.18 1.69 -3.62 12.44 5.12 -0.83 -4.89 116.66 135.74 3i5f n ARG 247 Ca 0.09 -0.59 -0.05 0.00 -1.93 0.00 0.00 57.85 55.38 3i5f n ARG 247 Cb 0.50 -1.59 -0.02 0.00 -1.16 0.00 0.00 32.46 30.19 3i5f n ARG 247 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 3i5f s PHE 248 N -1.39 -0.19 0.36 -1.55 -0.71 -1.26 -3.13 117.98 110.11 3i5f s PHE 248 Ca 0.10 0.01 -0.07 0.00 -1.04 0.00 0.00 56.93 55.93 3i5f s PHE 248 Cb 0.08 0.57 -0.06 0.00 -1.21 0.00 0.00 43.02 42.40 3i5f s PHE 248 CO 0.03 -0.56 0.67 0.20 -1.34 0.00 0.00 175.22 174.22 3i5f s GLY 249 N -2.69 1.86 -0.09 1.99 0.00 -0.41 -4.82 107.32 103.18 3i5f s GLY 249 Ca 0.10 -0.40 -0.08 0.00 0.00 0.00 0.00 44.72 44.34 3i5f s GLY 249 CO -0.04 -0.25 0.23 1.25 0.00 0.00 0.00 173.10 174.29 3i5f s LYS 250 N -3.78 0.27 -0.15 2.90 2.20 -0.65 -1.18 119.74 119.34 3i5f s LYS 250 Ca 0.47 0.32 -0.04 0.00 -0.36 0.00 0.00 55.97 56.37 3i5f s LYS 250 Cb -0.10 0.13 0.05 0.00 -1.51 0.00 0.00 37.83 36.40 3i5f s LYS 250 CO 0.32 -0.03 0.06 0.12 -0.36 0.00 0.00 175.35 175.45 3i5f s PHE 251 N 0.14 0.53 0.16 4.03 5.36 -0.66 -1.69 117.98 125.86 3i5f s PHE 251 Ca -0.00 -0.44 0.08 0.00 -0.96 0.00 0.00 56.93 55.61 3i5f s PHE 251 Cb -0.02 -0.80 -0.04 0.00 -0.34 0.00 0.00 43.02 41.82 3i5f s PHE 251 CO 0.00 -0.49 -0.06 -1.50 -1.46 0.00 0.00 175.22 171.71 3i5f s ILE 252 N 2.02 3.43 -0.02 3.12 2.07 -0.78 -0.83 121.20 130.21 3i5f s ILE 252 Ca 0.02 -1.47 0.01 0.00 -1.41 0.00 0.00 60.65 57.79 3i5f s ILE 252 Cb -0.16 -2.68 0.01 0.00 0.13 0.00 0.00 42.46 39.76 3i5f s ILE 252 CO -0.08 -0.05 -0.03 -0.13 -1.91 0.00 0.00 174.94 172.74 3i5f s ARG 253 N -2.71 0.48 -0.17 3.50 0.52 0.25 -1.10 118.95 119.72 3i5f s ARG 253 Ca 0.25 -0.07 -0.03 0.00 -0.52 0.00 0.00 55.73 55.36 3i5f s ARG 253 Cb -0.10 -0.53 -0.02 0.00 0.52 0.00 0.00 34.95 34.82 3i5f s ARG 253 CO 0.16 -0.02 -0.06 0.42 0.02 0.00 0.00 175.30 175.82 3i5f s ILE 254 N 0.52 3.55 -0.16 1.52 -1.09 -0.33 -0.69 121.20 124.52 3i5f s ILE 254 Ca -0.06 -0.47 -0.08 0.00 -2.23 0.00 0.00 60.65 57.82 3i5f s ILE 254 Cb -0.09 -2.56 -0.04 0.00 -1.58 0.00 0.00 42.46 38.18 3i5f s ILE 254 CO -0.01 0.48 0.11 -1.00 -1.23 0.00 0.00 174.94 173.30 3i5f s HIS 255 N 0.69 3.43 -0.11 3.97 3.76 0.20 -2.07 115.29 125.17 3i5f s HIS 255 Ca -0.03 0.35 0.02 0.00 -0.15 0.00 0.00 55.06 55.24 3i5f s HIS 255 Cb -0.15 -2.05 -0.01 0.00 1.11 0.00 0.00 32.58 31.48 3i5f s HIS 255 CO 0.02 0.43 -0.16 -0.06 -0.85 0.00 0.00 174.74 174.12 3i5f s PHE 256 N -0.20 2.72 -0.92 1.40 0.40 0.14 0.18 117.98 121.70 3i5f s PHE 256 Ca 0.10 -0.66 -0.17 0.00 -0.60 0.00 0.00 56.93 55.60 3i5f s PHE 256 Cb -0.12 -1.77 0.15 0.00 0.51 0.00 0.00 43.02 41.79 3i5f s PHE 256 CO 0.01 -0.19 1.06 0.20 0.70 0.00 0.00 175.22 177.00 3i5f s GLY 257 N 0.16 2.12 0.00 4.36 0.00 -0.80 -2.26 107.32 110.91 3i5f s GLY 257 Ca -0.09 -2.92 0.00 0.00 0.00 0.00 0.00 44.72 41.71 3i5f s GLY 257 CO 0.05 1.84 0.00 2.41 0.00 0.00 0.00 173.10 177.41 3i5f n THR 258 N 5.10 0.00 0.28 0.90 -1.04 -1.26 -2.05 114.28 116.21 3i5f n THR 258 Ca 0.22 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.42 3i5f n THR 258 Cb 0.48 0.00 0.93 0.00 -1.82 0.00 0.00 70.33 69.92 3i5f n THR 258 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 3i5f h GLN 259 N 0.00 0.00 0.00 -2.82 1.08 -2.01 -3.45 115.11 107.91 3i5f h GLN 259 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3i5f h GLN 259 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3i5f h GLN 259 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 3i5f n GLY 260 N -1.26 0.77 4.00 3.46 0.00 -0.87 -5.08 105.19 106.21 3i5f n GLY 260 Ca -0.01 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 3i5f n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i5f s LYS 261 N -0.69 1.54 0.07 1.61 1.02 -1.26 -4.78 119.74 117.24 3i5f s LYS 261 Ca 0.00 -1.29 -0.24 0.00 0.02 0.00 0.00 55.97 54.46 3i5f s LYS 261 Cb 0.00 -2.34 -0.06 0.00 -0.52 0.00 0.00 37.83 34.91 3i5f s LYS 261 CO 0.00 -1.55 0.72 0.42 -0.92 0.00 0.00 175.35 174.02 3i5f s ILE 262 N -3.17 4.67 -0.32 2.17 1.01 -1.26 -1.91 121.20 122.40 3i5f s ILE 262 Ca 0.68 1.55 0.08 0.00 0.00 0.00 0.00 60.65 62.96 3i5f s ILE 262 Cb -0.04 -4.07 -0.09 0.00 0.01 0.00 0.00 42.46 38.27 3i5f s ILE 262 CO 0.45 0.43 0.32 0.00 0.00 0.00 0.00 174.94 176.13 3i5f n ALA 263 N 2.41 2.93 0.00 9.38 0.00 0.48 -4.80 120.51 130.91 3i5f n ALA 263 Ca -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3i5f n ALA 263 Cb 0.50 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.66 3i5f n ALA 263 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5f n GLY 264 N 1.32 2.35 3.34 0.00 0.00 -1.21 -4.40 105.19 106.59 3i5f n GLY 264 Ca 0.01 -1.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.11 3i5f n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5f s ALA 265 N -1.61 0.01 0.03 4.61 0.00 -0.88 0.60 121.76 124.52 3i5f s ALA 265 Ca 0.00 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.09 3i5f s ALA 265 Cb 0.00 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 23.98 3i5f s ALA 265 CO 0.00 -0.65 -0.07 0.16 0.00 0.00 0.00 175.76 175.20 3i5f s ASP 266 N -2.97 0.76 0.14 0.00 1.47 0.13 -4.32 116.67 111.89 3i5f s ASP 266 Ca 0.18 -0.44 0.07 0.00 1.18 0.00 0.00 52.55 53.54 3i5f s ASP 266 Cb 0.03 0.02 -0.04 0.00 -0.34 0.00 0.00 42.92 42.59 3i5f s ASP 266 CO 0.00 -0.15 -0.07 -0.63 0.68 0.00 0.00 175.17 175.00 3i5f s ILE 267 N -1.10 3.43 -0.01 2.11 1.09 -1.26 -0.58 121.20 124.88 3i5f s ILE 267 Ca -0.08 -1.39 0.02 0.00 -1.10 0.00 0.00 60.65 58.10 3i5f s ILE 267 Cb -0.08 -2.65 0.00 0.00 -1.06 0.00 0.00 42.46 38.67 3i5f s ILE 267 CO 0.00 0.01 -0.05 -0.70 -0.10 0.00 0.00 174.94 174.10 3i5f s GLU 268 N -2.53 0.48 0.11 2.79 2.56 -0.01 -4.99 118.70 117.11 3i5f s GLU 268 Ca 0.24 -0.16 0.06 0.00 0.00 0.00 0.00 54.97 55.11 3i5f s GLU 268 Cb -0.10 -0.48 -0.03 0.00 2.00 0.00 0.00 34.13 35.51 3i5f s GLU 268 CO 0.15 0.07 -0.15 0.95 -0.56 0.00 0.00 175.26 175.72 3i5f s THR 269 N 0.09 1.35 0.01 -1.70 -4.23 -1.26 -1.65 115.64 108.25 3i5f s THR 269 Ca -0.01 -1.59 -0.03 0.00 -1.18 0.00 0.00 61.69 58.89 3i5f s THR 269 Cb -0.05 -1.42 -0.01 0.00 1.34 0.00 0.00 72.50 72.36 3i5f s THR 269 CO -0.00 -0.30 0.05 -0.31 -0.54 0.00 0.00 174.62 173.51 3i5f s TYR 270 N -1.74 0.15 -1.58 3.99 1.51 -0.33 -4.89 117.35 114.46 3i5f s TYR 270 Ca 0.06 -0.33 -0.11 0.00 -1.01 0.00 0.00 57.07 55.68 3i5f s TYR 270 Cb -0.07 -0.12 0.09 0.00 -0.11 0.00 0.00 41.96 41.75 3i5f s TYR 270 CO 0.03 -0.22 0.64 1.28 -1.11 0.00 0.00 175.55 176.17 3i5f n LEU 271 N 1.61 -1.93 -4.67 -1.29 4.77 -1.26 -1.28 117.00 112.95 3i5f n LEU 271 Ca -0.23 -1.00 -0.52 0.00 -0.03 0.00 0.00 56.01 54.22 3i5f n LEU 271 Cb 0.55 -2.15 -0.06 0.00 -2.33 0.00 0.00 43.42 39.43 3i5f n LEU 271 CO 0.21 0.36 1.26 -0.11 -1.33 0.00 0.00 177.39 177.77 3i5f n LEU 272 N -4.42 2.58 -4.59 2.23 7.94 -1.26 -4.73 117.00 114.75 3i5f n LEU 272 Ca -0.08 1.06 -0.42 0.00 -1.11 0.00 0.00 56.01 55.46 3i5f n LEU 272 Cb 0.57 -1.25 -0.03 0.00 0.53 0.00 0.00 43.42 43.24 3i5f n LEU 272 CO 0.81 -0.45 1.75 -0.70 -1.11 0.00 0.00 177.39 177.69 3i5f s GLU 273 N 2.64 3.04 0.04 1.96 2.12 -1.18 -4.79 118.70 122.54 3i5f s GLU 273 Ca 0.91 1.67 -0.08 0.00 0.36 0.00 0.00 54.97 57.83 3i5f s GLU 273 Cb -0.90 -4.34 -0.31 0.00 0.26 0.00 0.00 34.13 28.84 3i5f s GLU 273 CO 0.54 -2.20 1.03 0.87 -0.54 0.00 0.00 175.26 174.95 3i5f h LYS 274 N 14.88 0.37 -0.81 4.30 1.57 -1.94 -3.38 116.57 131.56 3i5f h LYS 274 Ca -0.36 -0.63 0.19 0.00 -1.87 0.00 0.00 60.65 57.98 3i5f h LYS 274 Cb 1.21 0.23 -0.12 0.00 0.08 0.00 0.00 32.23 33.64 3i5f h LYS 274 CO 1.02 1.29 0.24 0.66 -0.57 0.00 0.00 179.45 182.09 3i5f h SER 275 N 0.10 0.09 0.12 0.86 4.64 -1.95 -1.56 113.55 115.85 3i5f h SER 275 Ca -0.20 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3i5f h SER 275 Cb 2.06 0.19 0.00 0.00 -0.31 0.00 0.00 62.40 64.34 3i5f h SER 275 CO 0.22 -0.05 0.00 0.54 -0.87 0.00 0.00 176.83 176.68 3i5f n ARG 276 N -5.14 0.06 -0.31 4.77 1.74 -1.25 -2.01 116.66 114.53 3i5f n ARG 276 Ca 0.17 0.26 0.06 0.00 -0.77 0.00 0.00 57.85 57.58 3i5f n ARG 276 Cb 0.54 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 30.69 3i5f n ARG 276 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i5f h VAL 277 N 0.00 0.82 -0.02 1.55 2.07 -1.54 -3.01 116.25 116.12 3i5f h VAL 277 Ca 0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3i5f h VAL 277 Cb 0.06 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.84 3i5f h VAL 277 CO 0.00 0.14 0.00 0.35 0.02 0.00 0.00 177.57 178.08 3i5f n THR 278 N -4.78 0.05 -3.78 2.57 -2.24 -1.10 -4.81 114.28 100.19 3i5f n THR 278 Ca 0.16 -0.53 -0.13 0.00 -2.27 0.00 0.00 64.05 61.29 3i5f n THR 278 Cb 0.37 1.10 -0.13 0.00 -2.10 0.00 0.00 70.33 69.57 3i5f n THR 278 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3i5f s TYR 279 N -0.56 -0.20 -0.08 4.78 5.04 -0.85 -4.90 117.35 120.58 3i5f s TYR 279 Ca 0.08 0.50 -0.03 0.00 -2.44 0.00 0.00 57.07 55.18 3i5f s TYR 279 Cb 0.05 0.01 0.05 0.00 0.35 0.00 0.00 41.96 42.42 3i5f s TYR 279 CO 0.08 -0.13 0.16 -0.65 -1.34 0.00 0.00 175.55 173.67 3i5f s GLN 280 N 0.61 0.05 1.18 4.97 -0.21 -1.26 -3.82 119.66 121.18 3i5f s GLN 280 Ca -0.04 0.51 -0.14 0.00 0.02 0.00 0.00 55.36 55.71 3i5f s GLN 280 Cb -0.06 -0.24 0.25 0.00 1.00 0.00 0.00 33.01 33.97 3i5f s GLN 280 CO -0.03 -0.27 0.74 1.04 -2.12 0.00 0.00 175.29 174.66 3i5f n GLN 281 N 5.00 -2.40 -0.12 2.91 6.02 -1.26 -4.32 117.38 123.21 3i5f n GLN 281 Ca -0.11 -0.68 -0.07 0.00 -0.01 0.00 0.00 57.00 56.14 3i5f n GLN 281 Cb 0.50 -2.03 -0.05 0.00 1.02 0.00 0.00 30.24 29.68 3i5f n GLN 281 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 3i5f h SER 282 N -2.59 -1.02 0.20 1.08 0.02 -2.00 -3.14 113.55 106.10 3i5f h SER 282 Ca -0.61 0.14 -0.21 0.00 -0.84 0.00 0.00 61.79 60.27 3i5f h SER 282 Cb 1.34 0.43 0.00 0.00 0.14 0.00 0.00 62.40 64.32 3i5f h SER 282 CO 0.47 -0.18 -0.84 0.00 -1.14 0.00 0.00 176.83 175.14 3i5f h ALA 283 N -0.50 0.43 -3.00 3.77 0.00 -1.91 -3.36 119.26 114.69 3i5f h ALA 283 Ca 0.05 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3i5f h ALA 283 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3i5f h ALA 283 CO -0.37 0.76 0.00 0.39 0.00 0.00 0.00 179.25 180.03 3i5f n GLU 284 N -3.82 -1.18 -3.92 0.00 1.02 -1.18 -3.93 120.64 107.62 3i5f n GLU 284 Ca -0.06 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 56.99 3i5f n GLU 284 Cb 0.77 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 32.17 3i5f n GLU 284 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3i5f s ARG 285 N -2.40 1.85 0.35 3.49 3.52 -0.84 -0.97 118.95 123.96 3i5f s ARG 285 Ca 0.00 -1.30 0.03 0.00 -0.13 0.00 0.00 55.73 54.34 3i5f s ARG 285 Cb 0.00 0.55 -0.02 0.00 -1.56 0.00 0.00 34.95 33.92 3i5f s ARG 285 CO 0.00 -0.82 0.52 1.21 -0.81 0.00 0.00 175.30 175.40 3i5f s ASN 286 N -3.03 6.06 -0.37 -2.12 3.04 -1.26 -4.45 114.94 112.80 3i5f s ASN 286 Ca 0.19 0.11 -0.35 0.00 0.04 0.00 0.00 52.86 52.85 3i5f s ASN 286 Cb -0.03 -1.58 -0.15 0.00 -1.54 0.00 0.00 41.25 37.95 3i5f s ASN 286 CO 0.11 -0.42 1.20 -1.22 -3.04 0.00 0.00 177.10 173.73 3i5f n TYR 287 N -1.75 1.31 0.16 0.43 4.01 -1.26 -4.59 117.16 115.47 3i5f n TYR 287 Ca -0.02 0.86 0.00 0.00 -0.16 0.00 0.00 57.90 58.58 3i5f n TYR 287 Cb 0.57 -1.67 0.00 0.00 -0.31 0.00 0.00 39.34 37.93 3i5f n TYR 287 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3i5f n HIS 288 N 2.99 0.00 0.09 -0.72 8.25 -0.24 -2.46 115.22 123.12 3i5f n HIS 288 Ca 0.23 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.64 3i5f n HIS 288 Cb -0.04 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.04 3i5f n HIS 288 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 3i5f h ILE 289 N 0.00 1.59 -0.40 1.59 -0.00 -1.28 -2.19 117.51 116.82 3i5f h ILE 289 Ca 0.00 -3.00 -0.03 0.00 -0.00 0.00 0.00 64.86 61.83 3i5f h ILE 289 Cb 1.42 2.63 -0.02 0.00 -0.00 0.00 0.00 36.82 40.85 3i5f h ILE 289 CO 0.00 0.85 0.13 -0.26 -0.00 0.00 0.00 178.15 178.87 3i5f h PHE 290 N 0.00 0.64 -0.84 2.19 -1.00 -1.77 -0.84 116.94 115.33 3i5f h PHE 290 Ca -0.01 -0.06 -0.02 0.00 2.81 0.00 0.00 57.97 60.69 3i5f h PHE 290 Cb 1.56 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 40.90 3i5f h PHE 290 CO 0.00 0.60 0.44 1.88 -1.61 0.00 0.00 178.31 179.61 3i5f h TYR 291 N 0.50 1.16 0.00 -0.55 -1.99 -1.75 -1.83 116.97 112.51 3i5f h TYR 291 Ca 0.13 -0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.78 3i5f h TYR 291 Cb 0.26 -0.37 -0.01 0.00 2.00 0.00 0.00 36.73 38.61 3i5f h TYR 291 CO 0.01 0.81 -0.21 1.96 -0.00 0.00 0.00 178.16 180.73 3i5f h GLN 292 N 1.17 0.00 0.03 4.88 4.20 -0.74 -3.10 115.11 121.55 3i5f h GLN 292 Ca 0.29 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.90 3i5f h GLN 292 Cb 0.06 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.84 3i5f h GLN 292 CO -0.04 0.21 -0.40 -0.07 -0.67 0.00 0.00 178.83 177.85 3i5f h LEU 293 N 0.00 0.31 0.00 1.46 3.38 -0.41 -3.11 115.31 116.94 3i5f h LEU 293 Ca -0.00 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.13 3i5f h LEU 293 Cb 0.66 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3i5f h LEU 293 CO 0.03 1.11 0.00 0.18 0.09 0.00 0.00 178.44 179.85 3i5f n LEU 294 N -4.38 0.00 -4.81 1.67 4.77 -0.76 -4.73 117.00 108.75 3i5f n LEU 294 Ca -0.11 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.53 3i5f n LEU 294 Cb 0.60 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.63 3i5f n LEU 294 CO 0.42 0.00 0.68 -0.55 -1.33 0.00 0.00 177.39 176.61 3i5f s SER 295 N -1.22 6.78 0.62 -1.43 0.15 -1.17 -4.18 113.70 113.24 3i5f s SER 295 Ca 0.02 1.80 0.32 0.00 0.70 0.00 0.00 55.95 58.78 3i5f s SER 295 Cb 0.01 -2.55 1.79 0.00 -1.71 0.00 0.00 66.02 63.56 3i5f s SER 295 CO 0.01 -0.47 2.12 1.55 1.20 0.00 0.00 173.24 177.65 3i5f h PRO 296 N 1.94 0.00 -0.79 5.44 0.13 -1.88 -3.26 132.00 133.58 3i5f h PRO 296 Ca -0.49 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.73 3i5f h PRO 296 Cb 1.20 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.22 3i5f h PRO 296 CO 0.61 0.00 -0.43 0.00 -0.23 0.00 0.00 178.00 177.95 3i5f n ALA 297 N -2.21 -0.40 -3.95 -0.56 0.00 -1.26 -3.74 120.51 108.39 3i5f n ALA 297 Ca 0.00 0.70 -0.30 0.00 0.00 0.00 0.00 53.44 53.84 3i5f n ALA 297 Cb 0.29 -0.17 -0.14 0.00 0.00 0.00 0.00 19.45 19.43 3i5f n ALA 297 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3i5f s PHE 298 N -5.49 3.20 0.00 0.00 0.40 -1.23 -5.01 117.98 109.85 3i5f s PHE 298 Ca -0.10 -3.11 0.00 0.00 -0.60 0.00 0.00 56.93 53.12 3i5f s PHE 298 Cb 0.11 -2.78 0.00 0.00 0.51 0.00 0.00 43.02 40.85 3i5f s PHE 298 CO 0.51 -0.77 0.66 -2.30 0.70 0.00 0.00 175.22 174.02 3i5f n PRO 299 N 3.31 0.00 -0.31 0.24 -0.02 -1.25 -2.62 135.00 134.35 3i5f n PRO 299 Ca 0.05 0.54 -0.10 0.00 -2.02 0.00 0.00 63.50 61.97 3i5f n PRO 299 Cb 0.34 -1.16 -0.09 0.00 -0.02 0.00 0.00 33.50 32.57 3i5f n PRO 299 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3i5f h GLU 300 N 0.00 -0.07 -0.84 -0.52 5.08 -1.95 0.29 114.58 116.57 3i5f h GLU 300 Ca 0.00 0.00 0.31 0.00 -1.00 0.00 0.00 59.36 58.67 3i5f h GLU 300 Cb 0.00 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.16 3i5f h GLU 300 CO 0.00 -0.04 0.51 0.09 -1.00 0.00 0.00 179.01 178.57 3i5f n ASN 301 N -4.95 0.17 -0.08 1.42 4.13 -1.08 0.41 115.26 115.29 3i5f n ASN 301 Ca 0.01 0.99 -0.10 0.00 1.68 0.00 0.00 54.58 57.16 3i5f n ASN 301 Cb 0.24 -0.49 0.04 0.00 -1.54 0.00 0.00 39.78 38.03 3i5f n ASN 301 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 3i5f h ILE 302 N 0.00 1.28 0.22 2.41 2.04 -0.17 -1.90 117.51 121.39 3i5f h ILE 302 Ca 0.58 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.94 3i5f h ILE 302 Cb 1.77 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 39.20 3i5f h ILE 302 CO -0.38 0.50 -0.20 -0.33 0.00 0.00 0.00 178.15 177.73 3i5f h GLU 303 N 0.67 -0.43 -0.70 2.37 4.39 0.83 0.18 114.58 121.90 3i5f h GLU 303 Ca 0.07 0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.82 3i5f h GLU 303 Cb 0.89 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.60 3i5f h GLU 303 CO 0.08 -0.29 0.44 0.87 -1.16 0.00 0.00 179.01 178.95 3i5f h LYS 304 N -0.45 0.84 -0.56 2.33 1.57 -1.15 0.56 116.57 119.72 3i5f h LYS 304 Ca -0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3i5f h LYS 304 Cb 0.41 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3i5f h LYS 304 CO -0.04 0.55 0.00 0.44 -0.57 0.00 0.00 179.45 179.84 3i5f n ILE 305 N -4.66 0.22 -3.71 1.86 -5.35 -0.72 -4.88 119.36 102.11 3i5f n ILE 305 Ca 0.07 -0.14 -0.31 0.00 -0.27 0.00 0.00 62.75 62.11 3i5f n ILE 305 Cb 0.08 -0.24 0.03 0.00 -1.74 0.00 0.00 39.64 37.77 3i5f n ILE 305 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3i5f n LEU 306 N -0.08 -2.61 -4.33 7.28 4.77 0.20 -4.79 117.00 117.43 3i5f n LEU 306 Ca 0.03 -0.98 -0.20 0.00 -0.03 0.00 0.00 56.01 54.83 3i5f n LEU 306 Cb 0.23 -2.24 -0.09 0.00 -2.33 0.00 0.00 43.42 39.00 3i5f n LEU 306 CO 0.03 0.38 -0.16 0.00 -1.33 0.00 0.00 177.39 176.32 3i5f s ALA 307 N -3.37 2.02 -0.08 -1.18 0.00 0.56 -5.00 121.76 114.71 3i5f s ALA 307 Ca 0.38 -1.81 -0.00 0.00 0.00 0.00 0.00 51.96 50.53 3i5f s ALA 307 Cb -0.15 1.27 0.02 0.00 0.00 0.00 0.00 23.12 24.26 3i5f s ALA 307 CO 0.88 -0.56 -0.05 0.14 0.00 0.00 0.00 175.76 176.16 3i5f s VAL 308 N -3.50 0.73 0.00 0.00 -7.23 -1.26 -4.41 120.40 104.73 3i5f s VAL 308 Ca 0.36 -0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.39 3i5f s VAL 308 Cb 0.03 -0.79 0.00 0.00 0.56 0.00 0.00 36.38 36.18 3i5f s VAL 308 CO 0.22 0.31 0.43 -2.65 -0.31 0.00 0.00 175.10 173.09 3i5f n PRO 309 N 4.75 0.00 -2.66 4.82 -0.02 -1.26 -4.64 135.00 135.99 3i5f n PRO 309 Ca -0.14 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.31 3i5f n PRO 309 Cb 0.50 -0.73 0.04 0.00 -0.02 0.00 0.00 33.50 33.29 3i5f n PRO 309 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3i5f n ASP 310 N 2.69 -1.30 0.00 2.55 -0.08 -1.26 -4.99 116.55 114.16 3i5f n ASP 310 Ca 0.00 -0.82 0.00 0.00 -1.51 0.00 0.00 54.79 52.46 3i5f n ASP 310 Cb 0.21 0.65 0.00 0.00 2.34 0.00 0.00 41.12 44.33 3i5f n ASP 310 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3i5f n PRO 311 N 2.52 0.00 0.04 -0.67 -0.04 -1.26 -1.40 135.00 134.19 3i5f n PRO 311 Ca 0.11 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.38 3i5f n PRO 311 Cb 0.66 -1.32 -0.14 0.00 -0.04 0.00 0.00 33.50 32.65 3i5f n PRO 311 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3i5f h GLY 312 N 0.00 0.31 1.30 0.55 0.00 -1.94 -3.35 103.07 99.94 3i5f h GLY 312 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.54 3i5f h GLY 312 CO 0.00 0.69 0.00 1.04 0.00 0.00 0.00 176.54 178.27 3i5f n LEU 313 N -3.46 0.00 -4.15 3.11 4.77 -0.49 -4.65 117.00 112.13 3i5f n LEU 313 Ca -0.24 0.15 -0.37 0.00 -0.03 0.00 0.00 56.01 55.52 3i5f n LEU 313 Cb 1.06 -0.15 -0.11 0.00 -2.33 0.00 0.00 43.42 41.89 3i5f n LEU 313 CO 0.48 -0.07 -0.14 -0.31 -1.33 0.00 0.00 177.39 176.02 3i5f s TYR 314 N -2.30 3.53 0.39 -1.77 1.51 -1.26 -4.94 117.35 112.51 3i5f s TYR 314 Ca 0.20 -2.23 0.36 0.00 -1.01 0.00 0.00 57.07 54.40 3i5f s TYR 314 Cb 0.11 -3.24 1.24 0.00 -0.11 0.00 0.00 41.96 39.96 3i5f s TYR 314 CO 0.23 -0.97 1.12 0.41 -1.11 0.00 0.00 175.55 175.23 3i5f n GLY 315 N 4.69 -0.71 0.39 0.71 0.00 -1.26 0.21 105.19 109.22 3i5f n GLY 315 Ca -0.04 0.50 0.14 0.00 0.00 0.00 0.00 46.02 46.62 3i5f n GLY 315 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i5f n PHE 316 N -3.41 0.03 -0.00 1.61 0.99 -1.26 -4.40 117.46 111.02 3i5f n PHE 316 Ca 0.32 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.45 57.75 3i5f n PHE 316 Cb 1.44 0.00 -0.00 0.00 -1.00 0.00 0.00 39.48 39.92 3i5f n PHE 316 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 3i5f n ILE 317 N -0.04 0.00 -2.75 4.37 5.41 0.57 -4.60 119.36 122.32 3i5f n ILE 317 Ca 0.19 -0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.52 3i5f n ILE 317 Cb 0.30 -1.09 -0.03 0.00 -0.71 0.00 0.00 39.64 38.10 3i5f n ILE 317 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3i5f s ASN 318 N -4.60 6.35 0.00 4.38 2.20 -1.04 -4.45 114.94 117.79 3i5f s ASN 318 Ca -0.00 -1.25 0.00 0.00 -0.94 0.00 0.00 52.86 50.67 3i5f s ASN 318 Cb 0.00 -2.47 0.00 0.00 -2.00 0.00 0.00 41.25 36.78 3i5f s ASN 318 CO 0.00 -1.44 0.00 0.00 -2.94 0.00 0.00 177.10 172.72 3i5f n GLN 319 N 7.99 0.00 0.00 3.55 6.02 -1.26 -4.83 117.38 128.85 3i5f n GLN 319 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 3i5f n GLN 319 Cb 0.48 -0.11 0.00 0.00 1.02 0.00 0.00 30.24 31.63 3i5f n GLN 319 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i5f n GLY 320 N 0.00 4.07 0.00 1.08 0.00 -1.26 -4.31 105.19 104.77 3i5f n GLY 320 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3i5f n GLY 320 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i5f n THR 321 N 0.00 0.00 -1.92 2.61 -1.04 -0.14 -5.01 114.28 108.78 3i5f n THR 321 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3i5f n THR 321 Cb 0.00 -1.32 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 3i5f n THR 321 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3i5f n LEU 322 N 0.00 0.00 -3.56 -4.42 4.77 -1.26 -4.71 117.00 107.81 3i5f n LEU 322 Ca 0.00 -0.26 -0.13 0.00 -0.03 0.00 0.00 56.01 55.59 3i5f n LEU 322 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 3i5f n LEU 322 CO 0.00 0.36 0.65 0.42 -1.33 0.00 0.00 177.39 177.49 3i5f s THR 323 N 0.00 0.00 0.01 -5.08 -4.23 -1.26 -5.04 115.64 100.04 3i5f s THR 323 Ca 0.00 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.57 3i5f s THR 323 Cb 0.00 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.81 3i5f s THR 323 CO 0.00 0.00 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.22 3i5f s VAL 324 N -0.99 2.84 0.43 2.29 1.01 -1.26 -5.01 120.40 119.71 3i5f s VAL 324 Ca -0.04 -1.05 0.29 0.00 0.00 0.00 0.00 61.98 61.17 3i5f s VAL 324 Cb -0.01 -2.16 0.47 0.00 0.00 0.00 0.00 36.38 34.68 3i5f s VAL 324 CO 0.04 0.42 1.64 -0.78 0.00 0.00 0.00 175.10 176.41 3i5f h ASP 325 N 4.80 0.26 -0.04 3.32 1.82 -2.02 -1.70 116.42 122.85 3i5f h ASP 325 Ca -0.47 0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.30 3i5f h ASP 325 Cb 1.15 0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.28 3i5f h ASP 325 CO 0.49 -0.16 0.00 0.61 -1.61 0.00 0.00 179.24 178.56 3i5f n GLY 326 N -1.51 0.01 3.78 -0.78 0.00 -1.26 -5.04 105.19 100.39 3i5f n GLY 326 Ca 0.36 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3i5f n GLY 326 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i5f s ILE 327 N -1.02 5.42 -1.01 -0.61 1.01 -0.64 -5.03 121.20 119.32 3i5f s ILE 327 Ca 0.15 0.26 -0.02 0.00 0.00 0.00 0.00 60.65 61.04 3i5f s ILE 327 Cb 0.10 -3.47 0.30 0.00 0.01 0.00 0.00 42.46 39.41 3i5f s ILE 327 CO 0.16 0.50 1.42 -0.67 0.00 0.00 0.00 174.94 176.34 3i5f n ASP 328 N 2.95 6.16 -0.59 3.58 -0.08 -1.26 -4.65 116.55 122.66 3i5f n ASP 328 Ca -0.17 -3.46 0.45 0.00 -1.51 0.00 0.00 54.79 50.10 3i5f n ASP 328 Cb 0.53 -1.17 0.68 0.00 2.34 0.00 0.00 41.12 43.51 3i5f n ASP 328 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3i5f n ASP 329 N 1.06 0.00 -0.26 1.67 8.00 -1.26 0.22 116.55 125.98 3i5f n ASP 329 Ca 0.29 0.83 -0.07 0.00 0.71 0.00 0.00 54.79 56.54 3i5f n ASP 329 Cb 0.33 -0.41 0.05 0.00 -0.02 0.00 0.00 41.12 41.07 3i5f n ASP 329 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3i5f h GLU 330 N 0.00 1.11 0.17 -1.24 5.08 -1.90 -2.62 114.58 115.17 3i5f h GLU 330 Ca 0.78 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.89 3i5f h GLU 330 Cb 3.15 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 32.24 3i5f h GLU 330 CO -0.01 0.96 -0.08 1.49 -1.00 0.00 0.00 179.01 180.37 3i5f h GLU 331 N 1.05 -0.22 -0.24 2.33 4.81 0.22 -3.15 114.58 119.38 3i5f h GLU 331 Ca 0.23 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.49 3i5f h GLU 331 Cb 0.32 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 3i5f h GLU 331 CO -0.01 -0.14 -0.14 0.39 -0.73 0.00 0.00 179.01 178.38 3i5f n GLU 332 N -3.00 -0.10 0.00 1.92 -0.58 -1.07 0.33 120.64 118.14 3i5f n GLU 332 Ca -0.03 0.50 0.00 0.00 -0.42 0.00 0.00 57.16 57.22 3i5f n GLU 332 Cb 0.09 -0.74 0.00 0.00 -0.57 0.00 0.00 31.44 30.21 3i5f n GLU 332 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 3i5f n MET 333 N -3.69 0.00 -0.53 3.49 1.56 -0.99 0.20 117.12 117.17 3i5f n MET 333 Ca 0.00 0.80 0.43 0.00 -0.27 0.00 0.00 57.70 58.67 3i5f n MET 333 Cb 0.06 -1.36 0.71 0.00 2.15 0.00 0.00 33.22 34.78 3i5f n MET 333 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3i5f n GLY 334 N -0.98 -0.87 0.22 -5.12 0.00 0.15 0.21 105.19 98.79 3i5f n GLY 334 Ca 0.00 0.74 -0.08 0.00 0.00 0.00 0.00 46.02 46.69 3i5f n GLY 334 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i5f h LEU 335 N 0.00 -0.42 -0.83 0.99 3.38 0.33 -2.58 115.31 116.19 3i5f h LEU 335 Ca 0.89 0.01 0.20 0.00 0.09 0.00 0.00 57.88 59.08 3i5f h LEU 335 Cb 3.05 0.11 -0.14 0.00 0.09 0.00 0.00 40.66 43.77 3i5f h LEU 335 CO -0.36 -0.08 0.06 0.74 0.09 0.00 0.00 178.44 178.90 3i5f h THR 336 N -0.94 0.28 0.00 0.22 2.02 1.15 1.96 112.91 117.60 3i5f h THR 336 Ca -0.05 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 3i5f h THR 336 Cb 0.38 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 3i5f h THR 336 CO 0.08 0.02 -0.00 -0.78 0.37 0.00 0.00 175.52 175.21 3i5f h ASP 337 N 0.12 0.00 0.00 4.18 3.58 0.25 -2.68 116.42 121.86 3i5f h ASP 337 Ca 0.48 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.90 3i5f h ASP 337 Cb 0.89 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.94 3i5f h ASP 337 CO -0.71 0.00 -0.16 0.74 -2.88 0.00 0.00 179.24 176.24 3i5f h THR 338 N 0.00 1.22 -1.11 2.25 2.02 0.35 -3.15 112.91 114.50 3i5f h THR 338 Ca -0.00 -1.97 0.32 0.00 0.77 0.00 0.00 66.41 65.53 3i5f h THR 338 Cb 0.12 2.37 -0.04 0.00 -1.74 0.00 0.00 68.15 68.85 3i5f h THR 338 CO 0.00 0.41 0.98 0.00 0.37 0.00 0.00 175.52 177.28 3i5f h ALA 339 N -0.32 2.99 -0.35 6.16 0.00 -0.98 0.14 119.26 126.89 3i5f h ALA 339 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i5f h ALA 339 Cb 0.79 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3i5f h ALA 339 CO -0.02 -1.55 0.00 1.19 0.00 0.00 0.00 179.25 178.87 3i5f n PHE 340 N -3.74 0.00 -0.37 0.00 0.99 -1.04 -1.14 117.46 112.17 3i5f n PHE 340 Ca 0.24 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.72 3i5f n PHE 340 Cb 1.33 -0.44 0.09 0.00 -1.00 0.00 0.00 39.48 39.46 3i5f n PHE 340 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 3i5f h ASP 341 N 0.00 -1.16 -0.13 4.37 5.19 -0.77 0.61 116.42 124.53 3i5f h ASP 341 Ca 0.00 0.30 0.04 0.00 -0.62 0.00 0.00 57.03 56.76 3i5f h ASP 341 Cb 0.00 0.68 -0.05 0.00 0.18 0.00 0.00 39.33 40.14 3i5f h ASP 341 CO 0.00 -0.31 -0.17 0.58 -3.12 0.00 0.00 179.24 176.22 3i5f h VAL 342 N -0.00 0.55 0.00 -1.35 2.07 -1.07 0.72 116.25 117.17 3i5f h VAL 342 Ca 0.41 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.93 3i5f h VAL 342 Cb 0.66 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3i5f h VAL 342 CO -1.00 0.00 0.00 0.18 0.02 0.00 0.00 177.57 176.77 3i5f n LEU 343 N -5.32 0.00 -3.04 2.57 4.77 0.20 -0.81 117.00 115.38 3i5f n LEU 343 Ca -0.03 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.91 3i5f n LEU 343 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3i5f n LEU 343 CO 0.21 0.00 0.22 0.61 -1.33 0.00 0.00 177.39 177.10 3i5f n GLY 344 N -0.35 -1.24 3.34 -0.72 0.00 0.25 -4.92 105.19 101.56 3i5f n GLY 344 Ca 0.03 0.73 -0.28 0.00 0.00 0.00 0.00 46.02 46.51 3i5f n GLY 344 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i5f s PHE 345 N -2.85 2.15 0.56 1.61 0.40 -1.25 -5.03 117.98 113.58 3i5f s PHE 345 Ca 0.08 -0.39 -0.17 0.00 -0.60 0.00 0.00 56.93 55.85 3i5f s PHE 345 Cb -0.02 -1.21 -0.05 0.00 0.51 0.00 0.00 43.02 42.24 3i5f s PHE 345 CO 0.77 0.23 1.05 0.99 0.70 0.00 0.00 175.22 178.96 3i5f s THR 346 N -0.98 3.79 0.16 0.64 2.01 -1.26 -4.71 115.64 115.30 3i5f s THR 346 Ca 0.11 0.94 -0.16 0.00 0.31 0.00 0.00 61.69 62.89 3i5f s THR 346 Cb -0.10 -3.41 0.06 0.00 0.01 0.00 0.00 72.50 69.07 3i5f s THR 346 CO 0.04 -0.41 1.70 0.44 -0.69 0.00 0.00 174.62 175.70 3i5f h ASP 347 N 0.84 -0.15 -0.57 3.53 3.32 -2.00 0.57 116.42 121.96 3i5f h ASP 347 Ca -0.48 0.09 0.03 0.00 0.02 0.00 0.00 57.03 56.68 3i5f h ASP 347 Cb 1.22 0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.88 3i5f h ASP 347 CO 0.58 -0.04 0.35 -0.33 -1.72 0.00 0.00 179.24 178.08 3i5f h GLU 348 N 0.11 0.66 -0.77 3.56 4.39 -1.99 0.37 114.58 120.91 3i5f h GLU 348 Ca 0.19 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 3i5f h GLU 348 Cb 0.26 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 3i5f h GLU 348 CO -0.31 0.44 0.45 0.93 -1.16 0.00 0.00 179.01 179.36 3i5f h GLU 349 N 0.68 1.06 0.77 2.33 5.08 -1.50 -0.63 114.58 122.37 3i5f h GLU 349 Ca 0.23 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3i5f h GLU 349 Cb 0.02 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.06 3i5f h GLU 349 CO -0.10 0.76 -0.37 0.87 -1.00 0.00 0.00 179.01 179.17 3i5f h LYS 350 N 1.07 -1.00 -0.72 2.33 1.57 0.13 -1.94 116.57 118.01 3i5f h LYS 350 Ca 0.28 0.07 0.09 0.00 -1.87 0.00 0.00 60.65 59.21 3i5f h LYS 350 Cb -0.01 0.23 -0.11 0.00 0.08 0.00 0.00 32.23 32.41 3i5f h LYS 350 CO -0.05 -0.65 -0.49 1.25 -0.57 0.00 0.00 179.45 178.94 3i5f h LEU 351 N -1.21 -1.74 -1.68 2.94 5.85 -0.03 0.63 115.31 120.07 3i5f h LEU 351 Ca -0.11 0.28 0.42 0.00 0.84 0.00 0.00 57.88 59.31 3i5f h LEU 351 Cb 0.81 0.78 -0.09 0.00 0.37 0.00 0.00 40.66 42.53 3i5f h LEU 351 CO 0.17 -0.31 0.96 0.28 -0.34 0.00 0.00 178.44 179.20 3i5f h SER 352 N -0.17 0.16 0.95 1.25 0.02 -0.96 1.18 113.55 115.98 3i5f h SER 352 Ca 0.18 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3i5f h SER 352 Cb 0.53 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.12 3i5f h SER 352 CO -0.78 -0.06 -0.25 0.80 -1.14 0.00 0.00 176.83 175.40 3i5f n MET 353 N -4.38 0.12 -0.08 3.45 0.00 0.22 -3.22 117.12 113.22 3i5f n MET 353 Ca 0.34 0.06 -0.10 0.00 -0.00 0.00 0.00 57.70 58.01 3i5f n MET 353 Cb 1.44 -1.60 -0.04 0.00 0.00 0.00 0.00 33.22 33.01 3i5f n MET 353 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 3i5f n TYR 354 N -1.79 0.80 -0.35 1.12 0.53 0.40 -3.41 117.16 114.47 3i5f n TYR 354 Ca 0.06 0.35 0.25 0.00 -1.02 0.00 0.00 57.90 57.53 3i5f n TYR 354 Cb 0.38 -0.82 0.49 0.00 -1.03 0.00 0.00 39.34 38.36 3i5f n TYR 354 CO 0.00 0.00 0.00 0.87 -1.02 0.00 0.00 176.86 176.71 3i5f h LYS 355 N -1.00 0.33 0.11 -0.72 1.57 -1.43 1.70 116.57 117.13 3i5f h LYS 355 Ca -0.10 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 3i5f h LYS 355 Cb 0.78 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.02 3i5f h LYS 355 CO -0.06 0.22 -0.05 0.00 -0.57 0.00 0.00 179.45 178.99 3i5f h THR 357 N -0.45 0.43 -0.44 0.00 2.02 0.22 -0.83 112.91 113.86 3i5f h THR 357 Ca -0.01 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 3i5f h THR 357 Cb 0.37 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 3i5f h THR 357 CO 0.02 0.06 0.17 1.23 0.37 0.00 0.00 175.52 177.37 3i5f h GLY 358 N 0.32 0.71 1.07 2.16 0.00 0.37 -2.57 103.07 105.12 3i5f h GLY 358 Ca 0.53 -0.40 0.04 0.00 0.00 0.00 0.00 47.33 47.51 3i5f h GLY 358 CO -0.56 0.37 0.42 0.00 0.00 0.00 0.00 176.54 176.78 3i5f h ILE 360 N 0.00 0.32 0.00 0.00 1.08 -1.34 -1.82 117.51 115.76 3i5f h ILE 360 Ca 0.07 -1.38 0.00 0.00 -0.39 0.00 0.00 64.86 63.16 3i5f h ILE 360 Cb 0.92 2.09 0.00 0.00 -3.07 0.00 0.00 36.82 36.76 3i5f h ILE 360 CO -0.00 0.18 0.00 0.18 -0.69 0.00 0.00 178.15 177.82 3i5f n LEU 361 N -3.16 0.83 -0.59 1.44 4.77 0.70 -3.86 117.00 117.13 3i5f n LEU 361 Ca 0.03 0.44 0.47 0.00 -0.03 0.00 0.00 56.01 56.92 3i5f n LEU 361 Cb 0.58 -0.31 0.78 0.00 -2.33 0.00 0.00 43.42 42.13 3i5f n LEU 361 CO 0.36 -0.31 1.41 0.45 -1.33 0.00 0.00 177.39 177.97 3i5f h HIS 362 N 0.00 0.11 0.27 -1.77 3.86 -1.50 -0.74 115.15 115.38 3i5f h HIS 362 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3i5f h HIS 362 Cb 0.00 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 3i5f h HIS 362 CO 0.04 -0.04 -0.30 -0.07 0.86 0.00 0.00 177.93 178.41 3i5f h LEU 363 N 0.02 -0.82 0.00 2.43 3.38 -1.43 -0.14 115.31 118.74 3i5f h LEU 363 Ca 0.85 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.90 3i5f h LEU 363 Cb 3.28 0.28 0.00 0.00 0.09 0.00 0.00 40.66 44.32 3i5f h LEU 363 CO -0.09 -0.42 0.00 0.61 0.09 0.00 0.00 178.44 178.62 3i5f n GLY 364 N -1.42 -0.36 0.82 0.83 0.00 -0.29 -1.97 105.19 102.81 3i5f n GLY 364 Ca -0.09 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 45.95 3i5f n GLY 364 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i5f n GLU 365 N -1.04 2.49 -2.96 1.61 -0.58 -0.08 -4.55 120.64 115.54 3i5f n GLU 365 Ca 0.07 -2.09 -0.39 0.00 -0.42 0.00 0.00 57.16 54.34 3i5f n GLU 365 Cb 0.04 -1.35 -0.06 0.00 -0.57 0.00 0.00 31.44 29.50 3i5f n GLU 365 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 3i5f s MET 366 N -1.05 4.57 0.10 3.49 -1.94 -0.83 -4.84 119.30 118.80 3i5f s MET 366 Ca 0.29 1.17 0.07 0.00 -1.71 0.00 0.00 55.69 55.51 3i5f s MET 366 Cb 0.16 -3.20 -0.04 0.00 2.01 0.00 0.00 34.83 33.75 3i5f s MET 366 CO 0.21 0.54 -0.09 -1.59 -0.01 0.00 0.00 175.02 174.07 3i5f s LYS 367 N -1.28 2.15 0.24 2.03 -2.85 -1.26 -5.08 119.74 113.68 3i5f s LYS 367 Ca 0.38 -1.02 0.09 0.00 -1.00 0.00 0.00 55.97 54.42 3i5f s LYS 367 Cb -0.23 -2.32 -0.05 0.00 -2.06 0.00 0.00 37.83 33.18 3i5f s LYS 367 CO 0.26 0.51 -0.16 -1.58 0.10 0.00 0.00 175.35 174.48 3i5f s TRP 368 N -1.22 1.93 -0.08 1.78 0.52 -1.26 -3.41 118.94 117.18 3i5f s TRP 368 Ca 0.22 -0.49 -0.18 0.00 0.02 0.00 0.00 56.10 55.67 3i5f s TRP 368 Cb -0.11 -0.88 0.04 0.00 -1.15 0.00 0.00 33.47 31.37 3i5f s TRP 368 CO 0.14 0.48 0.43 -1.59 0.02 0.00 0.00 176.95 176.44 3i5f s LYS 369 N -3.60 0.67 0.17 4.98 -2.85 -0.80 -4.94 119.74 113.38 3i5f s LYS 369 Ca 0.25 0.23 0.09 0.00 -1.00 0.00 0.00 55.97 55.54 3i5f s LYS 369 Cb -0.02 0.31 -0.04 0.00 -2.06 0.00 0.00 37.83 36.02 3i5f s LYS 369 CO 0.10 -0.16 -0.19 1.14 0.10 0.00 0.00 175.35 176.35 3i5f s GLN 370 N -0.65 1.31 -0.50 1.78 -2.07 -1.26 0.11 119.66 118.38 3i5f s GLN 370 Ca -0.07 -1.44 0.06 0.00 -1.82 0.00 0.00 55.36 52.09 3i5f s GLN 370 Cb -0.03 -1.38 0.22 0.00 -1.09 0.00 0.00 33.01 30.73 3i5f s GLN 370 CO 0.04 0.28 0.53 2.89 -1.32 0.00 0.00 175.29 177.70 3i5f n ARG 371 N 0.22 1.16 0.00 9.60 1.85 -0.74 -4.94 116.66 123.81 3i5f n ARG 371 Ca -0.13 -3.72 0.00 0.00 -1.00 0.00 0.00 57.85 53.01 3i5f n ARG 371 Cb 0.57 -1.71 0.00 0.00 -1.05 0.00 0.00 32.46 30.27 3i5f n ARG 371 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3i5f n GLY 372 N 1.69 -2.18 0.00 2.89 0.00 -1.26 -4.25 105.19 102.09 3i5f n GLY 372 Ca 0.25 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3i5f n GLY 372 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i5f n GLU 373 N -0.17 0.00 -3.88 1.61 2.13 -1.26 -4.44 120.64 114.62 3i5f n GLU 373 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 3i5f n GLU 373 Cb 0.00 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.58 3i5f n GLU 373 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 3i5f s GLN 374 N 0.00 2.15 1.24 5.31 -1.52 -1.26 -2.70 119.66 122.88 3i5f s GLN 374 Ca 0.00 -2.61 -0.17 0.00 -1.95 0.00 0.00 55.36 50.63 3i5f s GLN 374 Cb 0.00 -3.44 0.30 0.00 -0.22 0.00 0.00 33.01 29.65 3i5f s GLN 374 CO 0.00 -1.13 1.02 0.00 -0.25 0.00 0.00 175.29 174.93 3i5f s ALA 375 N -0.24 -0.20 -0.09 6.09 0.00 -0.54 -1.79 121.76 125.00 3i5f s ALA 375 Ca 0.17 -0.55 -0.30 0.00 0.00 0.00 0.00 51.96 51.28 3i5f s ALA 375 Cb -0.24 -3.06 0.08 0.00 0.00 0.00 0.00 23.12 19.90 3i5f s ALA 375 CO -0.01 -3.92 0.73 -1.21 0.00 0.00 0.00 175.76 171.35 3i5f s GLU 376 N -4.90 0.97 0.24 0.00 2.02 0.29 -4.82 118.70 112.50 3i5f s GLU 376 Ca 0.69 0.32 -0.04 0.00 0.02 0.00 0.00 54.97 55.95 3i5f s GLU 376 Cb -0.18 0.46 0.06 0.00 0.10 0.00 0.00 34.13 34.58 3i5f s GLU 376 CO 0.60 -0.29 0.14 0.00 0.02 0.00 0.00 175.26 175.73 3i5f n ALA 377 N 1.07 -0.86 0.17 5.21 0.00 -1.26 -1.90 120.51 122.94 3i5f n ALA 377 Ca -0.17 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3i5f n ALA 377 Cb 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3i5f n ALA 377 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i5f n ASP 378 N -3.45 -1.63 -4.20 0.00 -0.08 -1.22 -4.44 116.55 101.52 3i5f n ASP 378 Ca 0.02 0.61 -0.40 0.00 -1.51 0.00 0.00 54.79 53.51 3i5f n ASP 378 Cb 0.10 1.66 -0.05 0.00 2.34 0.00 0.00 41.12 45.17 3i5f n ASP 378 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 3i5f s GLY 379 N -3.88 2.91 0.52 0.27 0.00 -1.26 -4.83 107.32 101.05 3i5f s GLY 379 Ca 0.00 -3.62 0.31 0.00 0.00 0.00 0.00 44.72 41.41 3i5f s GLY 379 CO 0.00 1.22 1.84 -0.84 0.00 0.00 0.00 173.10 175.32 3i5f h THR 380 N 4.38 0.51 -0.87 0.90 2.02 -1.93 -0.58 112.91 117.33 3i5f h THR 380 Ca 0.12 -0.03 0.36 0.00 0.77 0.00 0.00 66.41 67.63 3i5f h THR 380 Cb 0.90 0.43 -0.16 0.00 -1.74 0.00 0.00 68.15 67.58 3i5f h THR 380 CO 0.84 0.01 0.43 0.00 0.37 0.00 0.00 175.52 177.17 3i5f n ALA 381 N -2.69 0.86 -0.40 6.16 0.00 -1.26 -0.74 120.51 122.44 3i5f n ALA 381 Ca 0.22 0.89 0.00 0.00 0.00 0.00 0.00 53.44 54.55 3i5f n ALA 381 Cb 1.03 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.61 3i5f n ALA 381 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i5f n GLU 382 N -4.99 0.00 -0.48 0.00 4.71 -0.23 -3.50 120.64 116.15 3i5f n GLU 382 Ca 0.32 0.30 0.40 0.00 -0.01 0.00 0.00 57.16 58.16 3i5f n GLU 382 Cb 1.09 -1.04 0.65 0.00 -1.01 0.00 0.00 31.44 31.12 3i5f n GLU 382 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3i5f n ALA 383 N -1.39 1.36 -0.14 0.62 0.00 -0.72 0.12 120.51 120.35 3i5f n ALA 383 Ca 0.00 0.75 -0.04 0.00 0.00 0.00 0.00 53.44 54.15 3i5f n ALA 383 Cb 0.00 -0.98 0.05 0.00 0.00 0.00 0.00 19.45 18.52 3i5f n ALA 383 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i5f h GLU 384 N 0.00 0.24 0.35 0.00 5.08 -0.98 0.78 114.58 120.06 3i5f h GLU 384 Ca 0.82 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 59.14 3i5f h GLU 384 Cb 2.79 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.99 3i5f h GLU 384 CO -0.33 0.16 -0.17 0.87 -1.00 0.00 0.00 179.01 178.55 3i5f h LYS 385 N 0.25 -0.46 -0.61 2.33 1.57 0.86 -1.58 116.57 118.93 3i5f h LYS 385 Ca 0.22 0.03 0.21 0.00 -1.87 0.00 0.00 60.65 59.24 3i5f h LYS 385 Cb 0.27 0.10 -0.11 0.00 0.08 0.00 0.00 32.23 32.57 3i5f h LYS 385 CO -0.27 -0.30 0.16 0.28 -0.57 0.00 0.00 179.45 178.74 3i5f n VAL 386 N -3.73 -0.26 -0.24 0.50 0.31 -0.87 0.30 118.33 114.34 3i5f n VAL 386 Ca -0.06 1.30 -0.08 0.00 -0.01 0.00 0.00 64.34 65.49 3i5f n VAL 386 Cb 0.19 -2.00 0.04 0.00 -0.91 0.00 0.00 33.84 31.16 3i5f n VAL 386 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i5f h ALA 387 N 1.23 0.89 0.00 3.52 0.00 0.92 -2.65 119.26 123.17 3i5f h ALA 387 Ca 0.44 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3i5f h ALA 387 Cb 1.05 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3i5f h ALA 387 CO -0.53 0.64 0.00 0.35 0.00 0.00 0.00 179.25 179.71 3i5f h PHE 388 N 1.03 0.00 0.00 0.00 3.57 0.55 -1.60 116.94 120.48 3i5f h PHE 388 Ca 0.21 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.71 3i5f h PHE 388 Cb 0.40 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.14 3i5f h PHE 388 CO 0.03 0.00 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.03 3i5f h LEU 389 N 0.00 0.00 0.00 0.59 3.38 -0.95 -3.31 115.31 115.02 3i5f h LEU 389 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i5f h LEU 389 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3i5f h LEU 389 CO 0.00 0.05 0.04 0.18 0.09 0.00 0.00 178.44 178.80 3i5f n LEU 390 N -2.31 0.00 -1.04 1.67 4.77 -1.07 -4.72 117.00 114.30 3i5f n LEU 390 Ca -0.00 0.04 -0.14 0.00 -0.03 0.00 0.00 56.01 55.89 3i5f n LEU 390 Cb 0.01 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 40.99 3i5f n LEU 390 CO 0.00 -0.04 -0.13 0.61 -1.33 0.00 0.00 177.39 176.50 3i5f n GLY 391 N -0.84 1.39 0.00 -0.72 0.00 -0.65 -4.18 105.19 100.19 3i5f n GLY 391 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3i5f n GLY 391 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i5f n VAL 392 N -2.50 0.00 -4.50 1.61 0.24 -0.95 -4.32 118.33 107.91 3i5f n VAL 392 Ca -0.14 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 61.95 3i5f n VAL 392 Cb 0.50 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.73 3i5f n VAL 392 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3i5f s ASN 393 N -0.53 1.81 0.00 -1.34 3.84 -1.26 -4.64 114.94 112.82 3i5f s ASN 393 Ca 0.00 -0.41 0.00 0.00 0.21 0.00 0.00 52.86 52.66 3i5f s ASN 393 Cb 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 41.25 40.55 3i5f s ASN 393 CO 0.00 0.10 0.57 0.00 -2.79 0.00 0.00 177.10 174.98 3i5f n ALA 394 N 2.15 -0.01 -0.25 1.71 0.00 -1.26 0.26 120.51 123.11 3i5f n ALA 394 Ca -0.17 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.33 3i5f n ALA 394 Cb 0.55 0.26 0.18 0.00 0.00 0.00 0.00 19.45 20.43 3i5f n ALA 394 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i5f h GLY 395 N 0.00 0.98 1.23 0.00 0.00 -1.98 0.51 103.07 103.81 3i5f h GLY 395 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3i5f h GLY 395 CO 0.00 -0.23 0.23 -0.55 0.00 0.00 0.00 176.54 175.99 3i5f h ASP 396 N 0.22 0.90 0.81 0.19 3.32 -1.98 -1.04 116.42 118.83 3i5f h ASP 396 Ca 0.42 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.29 3i5f h ASP 396 Cb 0.73 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 40.05 3i5f h ASP 396 CO -0.55 0.82 -0.39 0.25 -1.72 0.00 0.00 179.24 177.65 3i5f h LEU 397 N 0.95 -0.92 -0.73 1.55 5.85 0.44 -3.11 115.31 119.34 3i5f h LEU 397 Ca 0.22 0.03 0.16 0.00 0.84 0.00 0.00 57.88 59.13 3i5f h LEU 397 Cb 0.23 0.24 -0.13 0.00 0.37 0.00 0.00 40.66 41.37 3i5f h LEU 397 CO -0.01 -0.55 0.01 -0.07 -0.34 0.00 0.00 178.44 177.47 3i5f h LEU 398 N -1.29 -0.33 -0.02 2.25 3.38 -0.68 -2.59 115.31 116.04 3i5f h LEU 398 Ca -0.11 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3i5f h LEU 398 Cb 0.83 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3i5f h LEU 398 CO 0.18 -0.17 -0.08 0.11 0.09 0.00 0.00 178.44 178.58 3i5f h LYS 399 N 0.11 -0.08 -1.53 1.13 1.57 -1.20 0.39 116.57 116.97 3i5f h LYS 399 Ca 0.40 0.01 0.44 0.00 -1.87 0.00 0.00 60.65 59.63 3i5f h LYS 399 Cb 0.69 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.96 3i5f h LYS 399 CO -0.64 -0.05 1.17 0.00 -0.57 0.00 0.00 179.45 179.36 3i5f h LEU 401 N 0.00 -0.03 0.00 0.00 3.38 -0.76 -3.37 115.31 114.53 3i5f h LEU 401 Ca 0.72 -0.67 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3i5f h LEU 401 Cb 3.06 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 43.82 3i5f h LEU 401 CO -0.01 0.74 -0.02 -0.07 0.09 0.00 0.00 178.44 179.17 3i5f h LEU 402 N -0.91 0.00 -8.04 1.67 3.38 0.12 -3.44 115.31 108.09 3i5f h LEU 402 Ca -0.00 -0.68 -0.67 0.00 0.09 0.00 0.00 57.88 56.62 3i5f h LEU 402 Cb 0.70 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.10 3i5f h LEU 402 CO 0.01 0.85 -0.85 -0.54 0.09 0.00 0.00 178.44 178.00 3i5f s LYS 403 N -2.02 2.92 0.16 1.13 1.02 0.18 -2.01 119.74 121.12 3i5f s LYS 403 Ca -0.13 -0.87 0.08 0.00 0.02 0.00 0.00 55.97 55.07 3i5f s LYS 403 Cb -0.02 -2.59 -0.04 0.00 -0.52 0.00 0.00 37.83 34.66 3i5f s LYS 403 CO 0.47 -0.24 -0.08 -2.14 -0.92 0.00 0.00 175.35 172.45 3i5f s PRO 404 N 1.28 2.15 -1.13 -1.68 0.02 -1.21 -3.96 135.00 130.48 3i5f s PRO 404 Ca 0.04 -1.16 -0.08 0.00 0.02 0.00 0.00 61.00 59.82 3i5f s PRO 404 Cb -0.14 -2.24 0.27 0.00 0.02 0.00 0.00 34.50 32.41 3i5f s PRO 404 CO -0.12 0.46 1.34 0.36 -0.33 0.00 0.00 177.00 178.71 3i5f n LYS 405 N 0.21 3.88 0.00 5.54 2.85 -1.20 -1.11 118.16 128.32 3i5f n LYS 405 Ca -0.11 -4.36 0.00 0.00 -1.05 0.00 0.00 58.31 52.78 3i5f n LYS 405 Cb 0.54 -2.61 0.00 0.00 -0.65 0.00 0.00 35.03 32.31 3i5f n LYS 405 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 3i5f n ILE 406 N 2.42 0.00 0.00 0.58 2.08 -0.90 -4.49 119.36 119.04 3i5f n ILE 406 Ca 0.27 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.58 3i5f n ILE 406 Cb 0.37 -0.07 0.00 0.00 -0.75 0.00 0.00 39.64 39.19 3i5f n ILE 406 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 3i5f n LYS 407 N 0.00 0.00 -2.81 0.38 5.02 -1.24 -4.48 118.16 115.03 3i5f n LYS 407 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 3i5f n LYS 407 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 3i5f n LYS 407 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i5f s VAL 408 N 0.00 4.38 0.00 -0.18 1.01 0.32 -4.87 120.40 121.05 3i5f s VAL 408 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.13 3i5f s VAL 408 Cb 0.00 -4.80 0.00 0.00 0.00 0.00 0.00 36.38 31.58 3i5f s VAL 408 CO 0.00 -1.59 0.00 0.61 0.00 0.00 0.00 175.10 174.12 3i5f n GLY 409 N 5.65 0.42 0.00 4.51 0.00 -1.26 0.35 105.19 114.85 3i5f n GLY 409 Ca 0.14 0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.39 3i5f n GLY 409 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i5f n THR 410 N 0.00 0.04 -4.02 2.61 -1.04 -1.26 -4.92 114.28 105.69 3i5f n THR 410 Ca 0.00 0.01 -0.08 0.00 -2.04 0.00 0.00 64.05 61.94 3i5f n THR 410 Cb 0.00 -0.52 -0.10 0.00 -1.82 0.00 0.00 70.33 67.89 3i5f n THR 410 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3i5f s GLU 411 N -2.96 0.58 -0.35 -2.82 2.56 0.15 -5.11 118.70 110.76 3i5f s GLU 411 Ca 0.15 -1.01 -0.09 0.00 0.00 0.00 0.00 54.97 54.02 3i5f s GLU 411 Cb 0.19 0.21 0.02 0.00 2.00 0.00 0.00 34.13 36.55 3i5f s GLU 411 CO 0.51 -0.12 0.16 1.52 -0.56 0.00 0.00 175.26 176.77 3i5f s TYR 412 N -3.27 3.23 0.32 5.30 -0.85 -1.26 0.12 117.35 120.94 3i5f s TYR 412 Ca 0.01 -1.04 0.07 0.00 -0.52 0.00 0.00 57.07 55.60 3i5f s TYR 412 Cb 0.03 -2.36 -0.03 0.00 0.38 0.00 0.00 41.96 39.98 3i5f s TYR 412 CO -0.08 -0.64 0.27 0.08 -1.52 0.00 0.00 175.55 173.66 3i5f s VAL 413 N 1.52 3.70 0.41 -3.49 1.01 -1.26 -4.94 120.40 117.34 3i5f s VAL 413 Ca 0.01 -1.39 0.08 0.00 0.00 0.00 0.00 61.98 60.68 3i5f s VAL 413 Cb -0.19 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 3i5f s VAL 413 CO 0.05 -0.21 0.45 -0.89 0.00 0.00 0.00 175.10 174.50 3i5f s THR 414 N -2.28 2.95 0.23 3.92 2.01 -1.25 -2.12 115.64 119.10 3i5f s THR 414 Ca 0.39 -1.19 -0.15 0.00 0.31 0.00 0.00 61.69 61.05 3i5f s THR 414 Cb -0.06 -3.04 0.01 0.00 0.01 0.00 0.00 72.50 69.42 3i5f s THR 414 CO 0.26 -0.02 0.52 -1.10 -0.69 0.00 0.00 174.62 173.58 3i5f s GLN 415 N -4.21 1.52 -0.11 4.92 -0.21 -0.27 -4.86 119.66 116.44 3i5f s GLN 415 Ca 0.50 -1.10 -0.01 0.00 0.02 0.00 0.00 55.36 54.77 3i5f s GLN 415 Cb -0.06 0.50 -0.03 0.00 1.00 0.00 0.00 33.01 34.42 3i5f s GLN 415 CO 0.30 -0.64 -0.06 0.20 -2.12 0.00 0.00 175.29 172.97 3i5f s GLY 416 N -2.96 1.70 -0.19 3.09 0.00 -1.26 -3.30 107.32 104.40 3i5f s GLY 416 Ca 0.17 -0.85 -0.01 0.00 0.00 0.00 0.00 44.72 44.02 3i5f s GLY 416 CO 0.05 -0.38 -0.13 0.50 0.00 0.00 0.00 173.10 173.14 3i5f s ARG 417 N -0.24 3.18 0.53 2.90 1.81 -0.85 -4.94 118.95 121.33 3i5f s ARG 417 Ca 0.04 -0.74 -0.15 0.00 -1.72 0.00 0.00 55.73 53.16 3i5f s ARG 417 Cb -0.13 -2.74 -0.07 0.00 -0.45 0.00 0.00 34.95 31.57 3i5f s ARG 417 CO 0.02 -0.15 0.98 0.54 -0.68 0.00 0.00 175.30 176.01 3i5f s ASN 418 N 1.25 6.52 0.31 0.23 4.22 -1.10 -1.46 114.94 124.91 3i5f s ASN 418 Ca 0.03 1.50 0.07 0.00 -2.14 0.00 0.00 52.86 52.32 3i5f s ASN 418 Cb -0.14 -2.48 0.89 0.00 1.28 0.00 0.00 41.25 40.80 3i5f s ASN 418 CO -0.07 -0.64 1.49 1.17 -2.04 0.00 0.00 177.10 177.02 3i5f n LYS 419 N -1.84 -0.07 0.02 3.55 4.81 -1.26 0.85 118.16 124.22 3i5f n LYS 419 Ca 0.06 1.39 -0.11 0.00 -0.87 0.00 0.00 58.31 58.78 3i5f n LYS 419 Cb 0.54 -2.29 -0.06 0.00 0.02 0.00 0.00 35.03 33.23 3i5f n LYS 419 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 3i5f h ASP 420 N 0.00 0.01 0.00 3.14 3.32 -1.98 0.14 116.42 121.05 3i5f h ASP 420 Ca 0.65 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.70 3i5f h ASP 420 Cb 1.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.03 3i5f h ASP 420 CO -0.85 0.01 0.00 0.00 -1.72 0.00 0.00 179.24 176.69 3i5f n GLN 421 N -5.08 0.00 0.26 3.56 6.02 0.25 0.08 117.38 122.46 3i5f n GLN 421 Ca -0.06 0.37 0.02 0.00 -0.01 0.00 0.00 57.00 57.32 3i5f n GLN 421 Cb 0.04 -1.35 0.09 0.00 1.02 0.00 0.00 30.24 30.04 3i5f n GLN 421 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3i5f h VAL 422 N 0.00 0.00 0.00 5.09 2.07 -0.31 0.54 116.25 123.64 3i5f h VAL 422 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3i5f h VAL 422 Cb 0.00 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 3i5f h VAL 422 CO 0.00 0.00 -0.20 0.74 0.02 0.00 0.00 177.57 178.13 3i5f h THR 423 N 0.00 0.00 -1.09 2.57 2.02 0.89 -3.06 112.91 114.25 3i5f h THR 423 Ca 0.00 -0.57 0.41 0.00 0.77 0.00 0.00 66.41 67.03 3i5f h THR 423 Cb 1.60 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.86 3i5f h THR 423 CO 0.00 0.00 0.65 0.59 0.37 0.00 0.00 175.52 177.13 3i5f n ASN 424 N -3.59 0.26 0.05 4.18 3.02 0.11 0.24 115.26 119.53 3i5f n ASN 424 Ca -0.03 1.40 -0.12 0.00 -0.03 0.00 0.00 54.58 55.80 3i5f n ASN 424 Cb 0.11 -0.69 -0.07 0.00 -0.61 0.00 0.00 39.78 38.52 3i5f n ASN 424 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3i5f h SER 425 N 0.00 -0.02 0.06 6.41 4.64 -1.10 -1.48 113.55 122.06 3i5f h SER 425 Ca 0.79 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 62.09 3i5f h SER 425 Cb 2.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.42 3i5f h SER 425 CO -0.57 0.01 0.00 -0.38 -0.87 0.00 0.00 176.83 175.02 3i5f n ILE 426 N -5.09 1.35 0.00 0.95 5.41 0.67 -2.67 119.36 119.98 3i5f n ILE 426 Ca -0.07 0.62 0.00 0.00 1.00 0.00 0.00 62.75 64.29 3i5f n ILE 426 Cb 0.05 -1.60 0.00 0.00 -0.71 0.00 0.00 39.64 37.37 3i5f n ILE 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i5f n ALA 427 N -1.68 -0.12 -0.23 -1.39 0.00 -0.57 -3.10 120.51 113.43 3i5f n ALA 427 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3i5f n ALA 427 Cb 0.04 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.57 3i5f n ALA 427 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i5f n ALA 428 N -1.67 0.12 0.22 0.00 0.00 -1.11 0.40 120.51 118.47 3i5f n ALA 428 Ca 0.00 0.70 0.16 0.00 0.00 0.00 0.00 53.44 54.30 3i5f n ALA 428 Cb 0.00 -0.41 0.81 0.00 0.00 0.00 0.00 19.45 19.86 3i5f n ALA 428 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3i5f h LEU 429 N 0.00 0.00 0.03 0.00 5.85 -1.63 2.21 115.31 121.78 3i5f h LEU 429 Ca 0.30 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.86 3i5f h LEU 429 Cb 0.46 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3i5f h LEU 429 CO -0.66 0.00 -0.84 0.00 -0.34 0.00 0.00 178.44 176.59 3i5f h ALA 430 N 1.84 0.14 0.00 1.25 0.00 0.79 -2.60 119.26 120.68 3i5f h ALA 430 Ca 0.07 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 54.06 3i5f h ALA 430 Cb 0.37 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3i5f h ALA 430 CO -0.00 0.48 0.00 0.87 0.00 0.00 0.00 179.25 180.60 3i5f h LYS 431 N -0.81 0.00 0.14 0.00 1.57 0.76 -2.67 116.57 115.56 3i5f h LYS 431 Ca -0.21 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.23 3i5f h LYS 431 Cb 1.32 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.62 3i5f h LYS 431 CO -0.06 0.00 -1.81 1.03 -0.57 0.00 0.00 179.45 178.04 3i5f h SER 432 N 0.00 0.47 0.18 0.86 0.87 0.35 -3.21 113.55 113.07 3i5f h SER 432 Ca 0.00 -0.92 0.00 0.00 -1.23 0.00 0.00 61.79 59.64 3i5f h SER 432 Cb 0.25 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 3i5f h SER 432 CO 0.00 1.79 0.00 0.25 -0.53 0.00 0.00 176.83 178.34 3i5f h LEU 433 N -0.01 0.00 0.00 2.23 5.85 -1.30 -0.82 115.31 121.27 3i5f h LEU 433 Ca -0.38 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.34 3i5f h LEU 433 Cb 1.99 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.02 3i5f h LEU 433 CO 0.10 0.00 -0.07 0.22 -0.34 0.00 0.00 178.44 178.35 3i5f h TYR 434 N 0.00 0.00 -0.80 1.25 3.20 -1.58 -2.51 116.97 116.53 3i5f h TYR 434 Ca 0.00 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.95 3i5f h TYR 434 Cb 0.09 0.00 -0.10 0.00 1.54 0.00 0.00 36.73 38.26 3i5f h TYR 434 CO 0.00 0.00 -0.45 -3.47 -1.64 0.00 0.00 178.16 172.60 3i5f n ASP 435 N -3.30 -0.80 -0.20 -2.11 -0.08 -1.18 0.29 116.55 109.17 3i5f n ASP 435 Ca -0.01 1.42 0.01 0.00 -1.51 0.00 0.00 54.79 54.70 3i5f n ASP 435 Cb 0.04 -0.20 0.10 0.00 2.34 0.00 0.00 41.12 43.39 3i5f n ASP 435 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 3i5f h ARG 436 N 0.00 0.10 -0.54 -0.67 3.08 -1.29 0.17 114.38 115.23 3i5f h ARG 436 Ca 0.15 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.12 3i5f h ARG 436 Cb 0.35 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3i5f h ARG 436 CO -0.76 0.07 0.06 1.98 -1.07 0.00 0.00 179.97 180.25 3i5f h MET 437 N 0.10 0.88 0.11 0.04 4.05 0.47 -0.43 114.93 120.15 3i5f h MET 437 Ca 0.32 -0.22 -0.00 0.00 -0.28 0.00 0.00 59.70 59.51 3i5f h MET 437 Cb 0.51 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.20 3i5f h MET 437 CO -0.54 0.84 -0.08 0.35 0.23 0.00 0.00 176.91 177.71 3i5f h PHE 438 N 0.83 -0.23 -0.96 1.39 3.57 0.46 -1.27 116.94 120.72 3i5f h PHE 438 Ca 0.17 -0.00 0.22 0.00 3.53 0.00 0.00 57.97 61.89 3i5f h PHE 438 Cb 0.41 0.08 -0.18 0.00 2.79 0.00 0.00 35.95 39.06 3i5f h PHE 438 CO 0.02 -0.12 -0.13 0.09 -2.23 0.00 0.00 178.31 175.95 3i5f n ASN 439 N -2.74 -0.25 -0.33 0.41 3.02 -0.41 0.18 115.26 115.14 3i5f n ASN 439 Ca -0.02 1.64 -0.04 0.00 -0.03 0.00 0.00 54.58 56.13 3i5f n ASN 439 Cb 0.08 -0.54 0.08 0.00 -0.61 0.00 0.00 39.78 38.80 3i5f n ASN 439 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 3i5f h TRP 440 N 0.00 1.20 -0.07 3.10 7.01 -0.92 0.91 115.95 127.17 3i5f h TRP 440 Ca 0.51 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.48 3i5f h TRP 440 Cb 0.91 -0.39 -0.00 0.00 -2.10 0.00 0.00 29.16 27.58 3i5f h TRP 440 CO -0.63 0.82 0.03 1.25 -2.79 0.00 0.00 178.44 177.11 3i5f h LEU 441 N 1.23 0.10 0.34 0.65 5.85 0.31 0.64 115.31 124.42 3i5f h LEU 441 Ca 0.31 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3i5f h LEU 441 Cb 0.01 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3i5f h LEU 441 CO -0.05 0.23 -0.34 0.58 -0.34 0.00 0.00 178.44 178.52 3i5f h VAL 442 N -0.04 0.30 -1.02 1.05 2.07 0.11 -1.64 116.25 117.07 3i5f h VAL 442 Ca 0.02 0.00 0.34 0.00 0.82 0.00 0.00 66.70 67.88 3i5f h VAL 442 Cb 0.16 0.30 -0.15 0.00 -1.52 0.00 0.00 31.29 30.08 3i5f h VAL 442 CO -0.00 0.00 0.59 -0.09 0.02 0.00 0.00 177.57 178.09 3i5f h ARG 443 N -0.71 0.26 0.00 1.57 2.43 0.11 0.73 114.38 118.78 3i5f h ARG 443 Ca -0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3i5f h ARG 443 Cb 0.64 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 3i5f h ARG 443 CO -0.06 0.17 0.00 -2.13 -1.51 0.00 0.00 179.97 176.44 3i5f n ARG 444 N -5.04 0.12 -0.10 0.20 0.00 0.22 -2.15 116.66 109.91 3i5f n ARG 444 Ca 0.33 0.16 -0.17 0.00 -0.00 0.00 0.00 57.85 58.17 3i5f n ARG 444 Cb 1.05 -1.66 -0.08 0.00 0.00 0.00 0.00 32.46 31.77 3i5f n ARG 444 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3i5f n VAL 445 N -1.87 1.50 -0.38 5.15 0.31 0.19 -3.48 118.33 119.75 3i5f n VAL 445 Ca 0.05 0.01 0.30 0.00 -0.01 0.00 0.00 64.34 64.69 3i5f n VAL 445 Cb 0.34 -2.14 0.59 0.00 -0.91 0.00 0.00 33.84 31.72 3i5f n VAL 445 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3i5f h ASN 446 N -1.00 0.33 -0.61 4.52 2.35 -1.42 2.93 115.58 122.67 3i5f h ASN 446 Ca -0.28 0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.53 3i5f h ASN 446 Cb 1.11 0.06 -0.03 0.00 0.05 0.00 0.00 38.32 39.51 3i5f h ASN 446 CO -0.17 -0.04 0.23 -0.61 -1.65 0.00 0.00 177.43 175.19 3i5f h GLN 447 N 0.23 0.96 0.00 0.81 4.15 -1.52 -2.83 115.11 116.92 3i5f h GLN 447 Ca 0.70 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.95 3i5f h GLN 447 Cb 2.04 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 29.57 3i5f h GLN 447 CO -0.34 0.80 -0.65 1.79 -1.93 0.00 0.00 178.83 178.50 3i5f h THR 448 N 0.94 0.00 -0.21 2.39 1.35 0.50 -3.29 112.91 114.60 3i5f h THR 448 Ca 0.22 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 3i5f h THR 448 Cb 0.22 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 3i5f h THR 448 CO -0.01 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.44 3i5f n LEU 449 N -2.62 1.38 -4.20 3.87 4.77 0.83 -4.52 117.00 116.52 3i5f n LEU 449 Ca 0.02 -0.64 -0.41 0.00 -0.03 0.00 0.00 56.01 54.95 3i5f n LEU 449 Cb 0.51 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 3i5f n LEU 449 CO 0.37 0.32 0.25 -0.62 -1.33 0.00 0.00 177.39 176.38 3i5f s ASP 450 N -1.27 5.98 0.07 -1.43 -1.08 -1.09 -2.08 116.67 115.77 3i5f s ASP 450 Ca 0.24 -2.90 -0.08 0.00 -0.52 0.00 0.00 52.55 49.30 3i5f s ASP 450 Cb 0.13 -2.01 -0.29 0.00 -1.46 0.00 0.00 42.92 39.28 3i5f s ASP 450 CO 0.18 -0.43 1.11 0.71 0.52 0.00 0.00 175.17 177.27 3i5f h THR 451 N 4.90 1.43 -3.69 1.71 1.35 -1.79 -3.49 112.91 113.33 3i5f h THR 451 Ca 0.06 -2.93 0.00 0.00 -0.55 0.00 0.00 66.41 62.99 3i5f h THR 451 Cb 0.97 2.94 0.00 0.00 -1.73 0.00 0.00 68.15 70.33 3i5f h THR 451 CO 0.75 0.86 -0.28 0.29 -0.25 0.00 0.00 175.52 176.89 3i5f n LYS 452 N -3.60 -1.03 -3.81 4.72 5.02 -1.26 -5.09 118.16 113.11 3i5f n LYS 452 Ca -0.11 1.18 -0.12 0.00 -2.02 0.00 0.00 58.31 57.24 3i5f n LYS 452 Cb 1.03 -2.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.44 3i5f n LYS 452 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i5f s ALA 453 N -0.77 -0.54 0.34 7.82 0.00 -1.26 -5.12 121.76 122.22 3i5f s ALA 453 Ca 0.02 0.25 -0.25 0.00 0.00 0.00 0.00 51.96 51.98 3i5f s ALA 453 Cb -0.01 -0.06 -0.14 0.00 0.00 0.00 0.00 23.12 22.92 3i5f s ALA 453 CO 0.25 -0.19 0.62 1.63 0.00 0.00 0.00 175.76 178.07 3i5f n LYS 454 N 1.86 0.60 -3.70 0.00 5.02 -1.26 -4.97 118.16 115.71 3i5f n LYS 454 Ca -0.19 0.21 -0.28 0.00 -2.02 0.00 0.00 58.31 56.03 3i5f n LYS 454 Cb 0.56 -1.44 -0.12 0.00 -0.02 0.00 0.00 35.03 34.01 3i5f n LYS 454 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3i5f s ARG 455 N -1.40 1.59 0.09 1.97 0.52 -1.26 -4.33 118.95 116.13 3i5f s ARG 455 Ca 0.62 -2.48 -0.30 0.00 -0.52 0.00 0.00 55.73 53.05 3i5f s ARG 455 Cb -0.70 -2.48 -0.14 0.00 0.52 0.00 0.00 34.95 32.15 3i5f s ARG 455 CO 0.58 -1.26 1.63 1.96 0.02 0.00 0.00 175.30 178.23 3i5f h GLN 456 N 6.02 -0.66 -4.16 3.54 1.08 -1.81 -3.47 115.11 115.65 3i5f h GLN 456 Ca 0.11 0.05 -0.30 0.00 -1.45 0.00 0.00 58.65 57.06 3i5f h GLN 456 Cb 0.87 0.15 -0.08 0.00 -0.05 0.00 0.00 27.48 28.37 3i5f h GLN 456 CO 0.54 -0.44 -0.19 -0.59 -0.95 0.00 0.00 178.83 177.20 3i5f s PHE 457 N -6.04 1.13 0.06 2.96 -0.12 -1.09 -4.98 117.98 109.89 3i5f s PHE 457 Ca -0.17 -1.34 -0.05 0.00 -0.05 0.00 0.00 56.93 55.33 3i5f s PHE 457 Cb 0.06 -0.10 -0.02 0.00 -0.63 0.00 0.00 43.02 42.33 3i5f s PHE 457 CO 0.63 -1.16 0.07 -0.59 -0.05 0.00 0.00 175.22 174.13 3i5f s PHE 458 N -2.95 0.31 -0.09 3.49 -0.12 -1.26 0.25 117.98 117.61 3i5f s PHE 458 Ca 0.31 -0.75 0.04 0.00 -0.05 0.00 0.00 56.93 56.49 3i5f s PHE 458 Cb -0.01 -0.21 -0.00 0.00 -0.63 0.00 0.00 43.02 42.17 3i5f s PHE 458 CO 0.22 -0.42 -0.24 0.42 -0.05 0.00 0.00 175.22 175.14 3i5f s ILE 459 N -3.48 2.04 -0.10 -4.49 1.01 -0.88 0.80 121.20 116.11 3i5f s ILE 459 Ca 0.02 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.67 3i5f s ILE 459 Cb 0.04 -1.76 0.02 0.00 0.01 0.00 0.00 42.46 40.77 3i5f s ILE 459 CO -0.09 0.56 -0.13 -0.83 0.00 0.00 0.00 174.94 174.45 3i5f s GLY 460 N 0.23 0.94 0.20 6.18 0.00 0.66 -1.19 107.32 114.35 3i5f s GLY 460 Ca -0.15 -0.63 -0.08 0.00 0.00 0.00 0.00 44.72 43.86 3i5f s GLY 460 CO 0.08 0.33 0.48 0.14 0.00 0.00 0.00 173.10 174.13 3i5f s VAL 461 N 1.07 5.02 -0.16 1.40 1.01 -0.26 -0.85 120.40 127.63 3i5f s VAL 461 Ca -0.06 0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.20 3i5f s VAL 461 Cb -0.15 -3.62 0.05 0.00 0.00 0.00 0.00 36.38 32.67 3i5f s VAL 461 CO -0.02 -0.03 0.03 -0.22 0.00 0.00 0.00 175.10 174.85 3i5f s LEU 462 N -2.77 1.00 -0.26 3.92 2.96 0.19 -1.87 118.68 121.85 3i5f s LEU 462 Ca 0.45 -0.63 -0.09 0.00 -0.22 0.00 0.00 54.13 53.64 3i5f s LEU 462 Cb -0.12 -0.55 -0.04 0.00 0.50 0.00 0.00 46.19 45.99 3i5f s LEU 462 CO 0.23 -0.28 0.11 -1.81 -1.32 0.00 0.00 176.35 173.27 3i5f s ASP 463 N 1.90 5.44 -0.23 3.68 1.01 -0.68 -1.31 116.67 126.47 3i5f s ASP 463 Ca 0.01 -0.13 -0.27 0.00 0.71 0.00 0.00 52.55 52.87 3i5f s ASP 463 Cb -0.16 -1.99 0.11 0.00 1.01 0.00 0.00 42.92 41.90 3i5f s ASP 463 CO -0.07 -0.03 0.97 -0.51 0.21 0.00 0.00 175.17 175.73 3i5f s ILE 464 N 1.60 0.00 0.99 0.77 1.10 -1.23 -1.64 121.20 122.79 3i5f s ILE 464 Ca 0.06 0.00 -0.16 0.00 -0.51 0.00 0.00 60.65 60.05 3i5f s ILE 464 Cb -0.15 -1.00 -0.01 0.00 0.15 0.00 0.00 42.46 41.45 3i5f s ILE 464 CO 0.06 0.00 -0.05 0.00 -2.11 0.00 0.00 174.94 172.84 3i5f n ALA 465 N 1.81 -3.70 -2.34 1.50 0.00 -1.26 -4.62 120.51 111.90 3i5f n ALA 465 Ca -0.13 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.53 3i5f n ALA 465 Cb 0.56 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3i5f n ALA 465 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5f n GLY 466 N 2.15 2.41 3.69 0.00 0.00 -1.21 -4.87 105.19 107.36 3i5f n GLY 466 Ca 0.03 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 3i5f n GLY 466 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i5f s PHE 467 N 1.63 2.37 -0.80 1.61 0.40 -1.26 -4.81 117.98 117.12 3i5f s PHE 467 Ca 0.00 0.22 -0.19 0.00 -0.60 0.00 0.00 56.93 56.36 3i5f s PHE 467 Cb 0.00 -4.04 0.13 0.00 0.51 0.00 0.00 43.02 39.62 3i5f s PHE 467 CO 0.00 -4.20 0.97 -1.21 0.70 0.00 0.00 175.22 171.49 3i5f s GLU 468 N 2.56 3.40 -0.28 0.44 2.02 -1.26 -5.00 118.70 120.58 3i5f s GLU 468 Ca 0.76 -1.59 -0.06 0.00 0.02 0.00 0.00 54.97 54.09 3i5f s GLU 468 Cb -0.42 -4.61 0.00 0.00 0.10 0.00 0.00 34.13 29.20 3i5f s GLU 468 CO 0.34 -1.68 0.06 0.42 0.02 0.00 0.00 175.26 174.42 3i5f s ILE 469 N 2.64 3.95 0.00 -1.63 1.01 -1.26 -4.81 121.20 121.09 3i5f s ILE 469 Ca 0.25 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.31 3i5f s ILE 469 Cb -0.11 -2.98 0.00 0.00 0.01 0.00 0.00 42.46 39.38 3i5f s ILE 469 CO -0.03 0.16 0.00 0.49 0.00 0.00 0.00 174.94 175.56 3i5f n PHE 470 N 4.87 0.00 0.12 3.97 3.01 -1.26 -5.06 117.46 123.10 3i5f n PHE 470 Ca -0.15 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.08 3i5f n PHE 470 Cb 0.49 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.80 3i5f n PHE 470 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3i5f h ASP 471 N 0.00 0.73 -3.23 4.37 3.32 -1.98 -3.43 116.42 116.19 3i5f h ASP 471 Ca 0.00 -0.87 -0.62 0.00 0.02 0.00 0.00 57.03 55.57 3i5f h ASP 471 Cb 0.00 -0.24 -0.35 0.00 0.22 0.00 0.00 39.33 38.97 3i5f h ASP 471 CO 0.00 1.70 -0.85 0.12 -1.72 0.00 0.00 179.24 178.49 3i5f s PHE 472 N -2.60 2.23 -0.24 4.55 5.36 -1.26 -5.00 117.98 121.02 3i5f s PHE 472 Ca -0.11 -1.11 0.02 0.00 -0.96 0.00 0.00 56.93 54.78 3i5f s PHE 472 Cb 0.05 -1.58 0.05 0.00 -0.34 0.00 0.00 43.02 41.20 3i5f s PHE 472 CO 0.91 -0.55 -0.13 -0.80 -1.46 0.00 0.00 175.22 173.19 3i5f s ASN 473 N 0.99 4.07 0.00 6.13 0.01 -1.26 -5.08 114.94 119.81 3i5f s ASN 473 Ca -0.05 -1.16 0.00 0.00 -0.71 0.00 0.00 52.86 50.93 3i5f s ASN 473 Cb -0.15 -1.53 0.00 0.00 0.41 0.00 0.00 41.25 39.98 3i5f s ASN 473 CO -0.03 -0.13 0.00 -0.24 -1.51 0.00 0.00 177.10 175.19 3i5f n SER 474 N 4.49 0.95 0.00 -1.22 2.88 -1.26 0.24 113.62 119.70 3i5f n SER 474 Ca -0.16 -0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.08 3i5f n SER 474 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 3i5f n SER 474 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 3i5f n PHE 475 N -0.16 0.00 -0.07 0.66 7.35 -1.26 -2.32 117.46 121.67 3i5f n PHE 475 Ca 0.00 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.75 3i5f n PHE 475 Cb 0.00 0.00 0.09 0.00 0.35 0.00 0.00 39.48 39.92 3i5f n PHE 475 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 3i5f n GLU 476 N -0.15 0.00 0.18 -4.13 1.02 -1.26 0.21 120.64 116.51 3i5f n GLU 476 Ca 0.00 0.15 -0.08 0.00 -0.02 0.00 0.00 57.16 57.21 3i5f n GLU 476 Cb 0.00 -0.35 -0.04 0.00 -0.02 0.00 0.00 31.44 31.03 3i5f n GLU 476 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3i5f h GLN 477 N 0.00 -0.49 -0.78 3.49 1.08 -1.82 -3.22 115.11 113.37 3i5f h GLN 477 Ca 0.10 0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.47 3i5f h GLN 477 Cb 0.47 0.11 -0.09 0.00 -0.05 0.00 0.00 27.48 27.92 3i5f h GLN 477 CO -0.00 -0.33 0.36 1.25 -0.95 0.00 0.00 178.83 179.16 3i5f h LEU 478 N -0.86 0.39 0.00 1.46 5.85 0.25 0.12 115.31 122.52 3i5f h LEU 478 Ca -0.05 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3i5f h LEU 478 Cb 0.39 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3i5f h LEU 478 CO 0.09 0.17 0.00 0.00 -0.34 0.00 0.00 178.44 178.35 3i5f h ILE 480 N 0.00 0.20 -0.74 0.00 1.08 -1.47 0.37 117.51 116.95 3i5f h ILE 480 Ca 0.00 -0.03 0.01 0.00 -0.39 0.00 0.00 64.86 64.44 3i5f h ILE 480 Cb 0.00 0.09 -0.04 0.00 -3.07 0.00 0.00 36.82 33.80 3i5f h ILE 480 CO 0.00 0.02 0.49 0.78 -0.69 0.00 0.00 178.15 178.75 3i5f h ASN 481 N 0.10 0.85 -0.12 1.72 2.35 0.00 -1.13 115.58 119.35 3i5f h ASN 481 Ca 0.54 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 56.27 3i5f h ASN 481 Cb 1.09 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.25 3i5f h ASN 481 CO -0.77 0.61 0.05 0.22 -1.65 0.00 0.00 177.43 175.90 3i5f h TYR 482 N 1.00 0.18 -0.57 1.19 3.20 0.44 -0.47 116.97 121.94 3i5f h TYR 482 Ca 0.27 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.20 3i5f h TYR 482 Cb -0.12 -0.05 -0.10 0.00 1.54 0.00 0.00 36.73 38.00 3i5f h TYR 482 CO -0.00 0.26 -0.53 1.15 -1.64 0.00 0.00 178.16 177.39 3i5f h THR 483 N 0.05 0.02 0.00 1.81 2.02 -0.30 0.47 112.91 116.98 3i5f h THR 483 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 3i5f h THR 483 Cb 0.15 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 3i5f h THR 483 CO -0.00 0.00 0.00 0.78 0.37 0.00 0.00 175.52 176.67 3i5f h ASN 484 N -0.28 0.00 -0.78 4.18 2.35 -1.36 -1.20 115.58 118.49 3i5f h ASN 484 Ca 0.12 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.91 3i5f h ASN 484 Cb 0.55 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.88 3i5f h ASN 484 CO -0.69 0.00 0.51 -0.08 -1.65 0.00 0.00 177.43 175.52 3i5f h GLU 485 N 0.00 0.91 0.06 0.81 4.57 0.17 0.74 114.58 121.84 3i5f h GLU 485 Ca 0.00 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3i5f h GLU 485 Cb 0.48 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 3i5f h GLU 485 CO 0.00 0.60 -0.03 0.00 -1.18 0.00 0.00 179.01 178.41 3i5f h ARG 486 N 0.94 -0.08 -1.36 1.92 3.08 -0.67 -3.23 114.38 114.98 3i5f h ARG 486 Ca 0.31 0.01 0.46 0.00 0.07 0.00 0.00 59.98 60.83 3i5f h ARG 486 Cb 0.07 0.02 -0.13 0.00 0.08 0.00 0.00 29.97 30.00 3i5f h ARG 486 CO -0.09 -0.05 0.88 1.28 -1.07 0.00 0.00 179.97 180.92 3i5f n LEU 487 N -2.51 0.19 -0.13 3.04 4.77 -0.95 0.33 117.00 121.73 3i5f n LEU 487 Ca -0.01 1.30 -0.04 0.00 -0.03 0.00 0.00 56.01 57.23 3i5f n LEU 487 Cb 0.03 -0.64 0.16 0.00 -2.33 0.00 0.00 43.42 40.65 3i5f n LEU 487 CO 0.02 -1.40 0.93 -0.61 -1.33 0.00 0.00 177.39 175.00 3i5f h GLN 488 N 0.00 0.85 0.00 3.23 5.75 0.50 -2.56 115.11 122.87 3i5f h GLN 488 Ca 0.85 -0.20 -0.19 0.00 -0.15 0.00 0.00 58.65 58.96 3i5f h GLN 488 Cb 2.78 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 31.19 3i5f h GLN 488 CO -0.41 0.80 -0.93 -0.56 -2.65 0.00 0.00 178.83 175.07 3i5f h GLN 489 N 0.80 0.00 -0.98 1.69 3.07 0.53 -1.80 115.11 118.42 3i5f h GLN 489 Ca 0.17 0.00 0.14 0.00 0.09 0.00 0.00 58.65 59.05 3i5f h GLN 489 Cb 0.37 0.00 -0.09 0.00 0.08 0.00 0.00 27.48 27.84 3i5f h GLN 489 CO 0.01 0.82 0.60 0.35 0.09 0.00 0.00 178.83 180.70 3i5f h PHE 490 N 0.00 1.08 0.23 0.06 3.57 -1.12 1.41 116.94 122.18 3i5f h PHE 490 Ca -0.03 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3i5f h PHE 490 Cb 1.68 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 40.09 3i5f h PHE 490 CO 0.00 0.36 -0.11 0.35 -2.23 0.00 0.00 178.31 176.68 3i5f h PHE 491 N 0.89 -0.29 -1.63 0.41 3.57 -1.32 -0.54 116.94 118.04 3i5f h PHE 491 Ca 0.51 -0.01 0.47 0.00 3.53 0.00 0.00 57.97 62.48 3i5f h PHE 491 Cb 0.61 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.38 3i5f h PHE 491 CO -0.01 -0.18 1.35 -0.91 -2.23 0.00 0.00 178.31 176.33 3i5f h ASN 492 N -0.44 0.00 0.07 0.41 2.35 -0.60 0.56 115.58 117.92 3i5f h ASN 492 Ca -0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3i5f h ASN 492 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3i5f h ASN 492 CO 0.05 0.00 -0.04 -0.74 -1.65 0.00 0.00 177.43 175.06 3i5f h HIS 493 N 0.00 -0.09 -0.98 1.19 2.76 0.22 -2.74 115.15 115.51 3i5f h HIS 493 Ca 0.77 -0.00 0.40 0.00 -2.20 0.00 0.00 60.37 59.34 3i5f h HIS 493 Cb 3.46 0.03 -0.16 0.00 1.55 0.00 0.00 27.41 32.28 3i5f h HIS 493 CO 0.00 -0.06 0.54 1.58 -1.30 0.00 0.00 177.93 178.69 3i5f n HIS 494 N -2.60 1.05 0.00 5.26 -0.00 0.16 0.11 115.22 119.21 3i5f n HIS 494 Ca -0.01 1.06 0.00 0.00 -0.00 0.00 0.00 57.72 58.77 3i5f n HIS 494 Cb 0.04 -1.47 0.00 0.00 -0.00 0.00 0.00 29.99 28.56 3i5f n HIS 494 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 3i5f n MET 495 N -5.07 0.00 -0.08 1.57 0.00 0.55 -2.42 117.12 111.68 3i5f n MET 495 Ca 0.36 0.34 0.00 0.00 0.00 0.00 0.00 57.70 58.40 3i5f n MET 495 Cb 1.24 -1.20 0.02 0.00 0.00 0.00 0.00 33.22 33.28 3i5f n MET 495 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3i5f n PHE 496 N -1.52 0.03 0.00 1.12 7.35 0.12 -0.43 117.46 124.12 3i5f n PHE 496 Ca 0.00 0.26 0.00 0.00 -0.76 0.00 0.00 57.45 56.95 3i5f n PHE 496 Cb 0.00 -0.59 0.00 0.00 0.35 0.00 0.00 39.48 39.24 3i5f n PHE 496 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3i5f n VAL 497 N -4.32 0.00 -0.33 -2.13 0.31 -0.75 -1.99 118.33 109.12 3i5f n VAL 497 Ca 0.03 1.47 0.13 0.00 -0.01 0.00 0.00 64.34 65.95 3i5f n VAL 497 Cb 0.09 -2.34 0.31 0.00 -0.91 0.00 0.00 33.84 30.99 3i5f n VAL 497 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3i5f h LEU 498 N 0.00 0.65 -0.86 7.52 5.85 -0.39 0.26 115.31 128.34 3i5f h LEU 498 Ca 0.00 0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.72 3i5f h LEU 498 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3i5f h LEU 498 CO 0.00 0.20 -0.32 -0.08 -0.34 0.00 0.00 178.44 177.89 3i5f h GLU 499 N 0.65 0.46 -0.10 1.25 4.57 -1.13 -0.21 114.58 120.08 3i5f h GLU 499 Ca 0.57 -0.20 -0.16 0.00 -1.18 0.00 0.00 59.36 58.39 3i5f h GLU 499 Cb 0.93 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 29.52 3i5f h GLU 499 CO -0.42 0.74 -0.56 0.37 -1.18 0.00 0.00 179.01 177.96 3i5f h GLN 500 N 0.40 0.56 0.60 1.92 4.15 -0.47 -2.48 115.11 119.79 3i5f h GLN 500 Ca 0.05 -0.46 -0.02 0.00 0.77 0.00 0.00 58.65 58.98 3i5f h GLN 500 Cb 0.76 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.54 3i5f h GLN 500 CO 0.06 1.09 -0.49 1.49 -1.93 0.00 0.00 178.83 179.05 3i5f h GLU 501 N 0.18 -1.02 -0.69 1.69 4.81 -0.37 -2.62 114.58 116.56 3i5f h GLU 501 Ca -0.04 0.07 0.14 0.00 -0.13 0.00 0.00 59.36 59.40 3i5f h GLU 501 Cb 1.20 0.23 -0.13 0.00 0.63 0.00 0.00 28.75 30.68 3i5f h GLU 501 CO 0.11 -0.68 -0.18 0.93 -0.73 0.00 0.00 179.01 178.46 3i5f h GLU 502 N -1.06 -0.01 0.00 1.92 5.08 -1.04 1.01 114.58 120.48 3i5f h GLU 502 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3i5f h GLU 502 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 3i5f h GLU 502 CO -0.00 -0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.66 3i5f n TYR 503 N -5.46 0.00 -0.08 4.33 4.02 -0.94 -1.81 117.16 117.21 3i5f n TYR 503 Ca 0.09 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.87 3i5f n TYR 503 Cb 0.36 -0.22 -0.04 0.00 -0.02 0.00 0.00 39.34 39.41 3i5f n TYR 503 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 3i5f n LYS 504 N -1.22 0.49 -0.54 -0.72 4.81 0.34 -0.26 118.16 121.06 3i5f n LYS 504 Ca 0.04 0.49 0.46 0.00 -0.87 0.00 0.00 58.31 58.43 3i5f n LYS 504 Cb 0.05 -1.67 0.76 0.00 0.02 0.00 0.00 35.03 34.20 3i5f n LYS 504 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 3i5f h LYS 505 N -1.00 0.00 -0.01 1.64 3.64 -0.52 3.70 116.57 124.03 3i5f h LYS 505 Ca -0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3i5f h LYS 505 Cb 0.80 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 3i5f h LYS 505 CO -0.07 0.00 -0.42 0.39 -2.27 0.00 0.00 179.45 177.08 3i5f n GLU 506 N -3.91 1.40 -3.55 1.90 -0.58 -1.06 -4.72 120.64 110.13 3i5f n GLU 506 Ca 0.37 -0.95 -0.19 0.00 -0.42 0.00 0.00 57.16 55.97 3i5f n GLU 506 Cb 1.75 -1.40 0.06 0.00 -0.57 0.00 0.00 31.44 31.28 3i5f n GLU 506 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i5f n GLY 507 N 1.32 -0.38 3.39 0.62 0.00 1.23 -2.72 105.19 108.65 3i5f n GLY 507 Ca 0.08 0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 3i5f n GLY 507 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i5f s ILE 508 N -3.51 4.10 0.23 -0.61 1.01 0.64 -4.93 121.20 118.13 3i5f s ILE 508 Ca 0.03 -0.43 -0.32 0.00 0.00 0.00 0.00 60.65 59.94 3i5f s ILE 508 Cb -0.01 -3.00 -0.13 0.00 0.01 0.00 0.00 42.46 39.33 3i5f s ILE 508 CO 0.77 0.23 1.43 0.52 0.00 0.00 0.00 174.94 177.89 3i5f n VAL 509 N 4.89 0.83 -3.65 2.92 0.31 -1.26 -4.66 118.33 117.71 3i5f n VAL 509 Ca -0.16 -0.21 -0.03 0.00 -0.01 0.00 0.00 64.34 63.93 3i5f n VAL 509 Cb 0.50 -1.49 -0.07 0.00 -0.91 0.00 0.00 33.84 31.88 3i5f n VAL 509 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 3i5f s TRP 510 N 0.06 -0.09 -0.16 3.52 -0.11 -1.26 -5.15 118.94 115.75 3i5f s TRP 510 Ca 0.69 0.21 -0.07 0.00 1.22 0.00 0.00 56.10 58.16 3i5f s TRP 510 Cb -0.65 0.48 -0.04 0.00 -1.50 0.00 0.00 33.47 31.75 3i5f s TRP 510 CO 0.48 -0.05 0.06 -1.21 -4.62 0.00 0.00 176.95 171.62 3i5f s GLU 511 N -0.15 3.77 0.00 5.86 2.02 -1.26 -5.09 118.70 123.85 3i5f s GLU 511 Ca 0.07 -0.32 0.00 0.00 0.02 0.00 0.00 54.97 54.74 3i5f s GLU 511 Cb -0.04 -3.15 0.00 0.00 0.10 0.00 0.00 34.13 31.03 3i5f s GLU 511 CO -0.13 0.40 0.00 1.19 0.02 0.00 0.00 175.26 176.74 3i5f n PHE 512 N 3.12 0.00 -3.34 1.61 3.01 -1.26 -5.17 117.46 115.43 3i5f n PHE 512 Ca -0.17 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.31 3i5f n PHE 512 Cb 0.53 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.96 3i5f n PHE 512 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 3i5f s ILE 513 N 0.65 -0.40 -0.51 4.37 -4.36 -1.26 -5.12 121.20 114.57 3i5f s ILE 513 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 60.65 60.12 3i5f s ILE 513 Cb 0.00 -1.00 -0.04 0.00 1.25 0.00 0.00 42.46 42.67 3i5f s ILE 513 CO 0.00 0.00 2.12 -0.62 0.24 0.00 0.00 174.94 176.68 3i5f s ASP 514 N 2.39 4.96 0.00 4.36 -1.08 -1.26 -4.83 116.67 121.21 3i5f s ASP 514 Ca -0.02 0.85 0.10 0.00 -0.52 0.00 0.00 52.55 52.96 3i5f s ASP 514 Cb -0.05 -2.52 0.57 0.00 -1.46 0.00 0.00 42.92 39.46 3i5f s ASP 514 CO -0.17 -2.52 1.08 0.49 0.52 0.00 0.00 175.17 174.57 3i5f n PHE 515 N 13.88 0.00 0.16 -5.34 3.01 -1.26 -1.76 117.46 126.15 3i5f n PHE 515 Ca 0.28 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.77 3i5f n PHE 515 Cb 0.52 -0.07 0.37 0.00 -0.01 0.00 0.00 39.48 40.30 3i5f n PHE 515 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3i5f h GLY 516 N 1.57 0.10 0.59 1.37 0.00 -1.81 0.21 103.07 105.10 3i5f h GLY 516 Ca 0.00 -0.07 0.17 0.00 0.00 0.00 0.00 47.33 47.43 3i5f h GLY 516 CO 0.00 0.06 0.52 1.41 0.00 0.00 0.00 176.54 178.54 3i5f h LEU 517 N 0.08 0.35 0.57 3.11 3.38 -1.73 -0.53 115.31 120.54 3i5f h LEU 517 Ca 0.01 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3i5f h LEU 517 Cb 0.55 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3i5f h LEU 517 CO 0.04 0.17 -0.39 0.44 0.09 0.00 0.00 178.44 178.79 3i5f h ASP 518 N 0.37 -1.00 0.00 -0.43 3.32 -0.75 -1.08 116.42 116.84 3i5f h ASP 518 Ca 0.39 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.50 3i5f h ASP 518 Cb 0.97 0.30 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3i5f h ASP 518 CO -0.12 -0.59 0.00 0.18 -1.72 0.00 0.00 179.24 176.99 3i5f n LEU 519 N -5.52 0.45 0.15 1.55 4.77 -0.22 -3.94 117.00 114.24 3i5f n LEU 519 Ca -0.12 -0.22 0.12 0.00 -0.03 0.00 0.00 56.01 55.76 3i5f n LEU 519 Cb 0.41 -0.22 0.27 0.00 -2.33 0.00 0.00 43.42 41.55 3i5f n LEU 519 CO 0.33 0.11 0.78 -0.61 -1.33 0.00 0.00 177.39 176.67 3i5f h GLN 520 N 0.49 0.00 0.19 3.23 5.75 -1.04 -3.26 115.11 120.46 3i5f h GLN 520 Ca 0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 3i5f h GLN 520 Cb 0.22 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.78 3i5f h GLN 520 CO 0.00 0.00 -0.09 0.00 -2.65 0.00 0.00 178.83 176.09 3i5f h ALA 521 N 2.28 -0.27 -0.97 3.38 0.00 -1.80 -2.02 119.26 119.86 3i5f h ALA 521 Ca 0.00 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.02 3i5f h ALA 521 Cb 0.86 0.10 -0.17 0.00 0.00 0.00 0.00 17.79 18.58 3i5f h ALA 521 CO 0.00 -0.25 -0.34 0.00 0.00 0.00 0.00 179.25 178.66 3i5f h ILE 523 N -0.01 1.14 0.01 0.00 2.04 -1.63 -2.43 117.51 116.63 3i5f h ILE 523 Ca 0.38 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 3i5f h ILE 523 Cb 0.63 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 3i5f h ILE 523 CO -0.98 0.18 -0.00 -0.33 0.00 0.00 0.00 178.15 177.02 3i5f h GLU 524 N 0.14 -0.01 -0.48 2.37 5.08 0.32 -2.94 114.58 119.07 3i5f h GLU 524 Ca 0.03 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.55 3i5f h GLU 524 Cb 0.29 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.45 3i5f h GLU 524 CO 0.02 -0.01 0.09 -0.11 -1.00 0.00 0.00 179.01 178.00 3i5f n LEU 525 N -2.10 0.02 0.16 1.33 7.94 -0.65 0.80 117.00 124.50 3i5f n LEU 525 Ca -0.00 0.80 -0.14 0.00 -1.11 0.00 0.00 56.01 55.56 3i5f n LEU 525 Cb 0.00 -0.33 -0.08 0.00 0.53 0.00 0.00 43.42 43.55 3i5f n LEU 525 CO 0.00 -0.84 0.67 0.40 -1.11 0.00 0.00 177.39 176.52 3i5f h ILE 526 N 0.00 0.77 0.00 1.96 2.04 -1.48 -2.75 117.51 118.05 3i5f h ILE 526 Ca 0.33 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3i5f h ILE 526 Cb 0.76 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 3i5f h ILE 526 CO -0.42 0.07 -1.51 -1.84 0.00 0.00 0.00 178.15 174.45 3i5f n GLU 527 N -5.17 0.39 -0.68 2.37 0.28 0.24 -2.41 120.64 115.65 3i5f n GLU 527 Ca -0.10 -0.10 -0.32 0.00 -0.16 0.00 0.00 57.16 56.48 3i5f n GLU 527 Cb 0.22 -1.53 0.17 0.00 1.43 0.00 0.00 31.44 31.73 3i5f n GLU 527 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 3i5f n LYS 528 N -1.97 -1.42 -0.34 3.44 2.85 0.70 -4.84 118.16 116.58 3i5f n LYS 528 Ca -0.00 -0.39 0.26 0.00 -1.05 0.00 0.00 58.31 57.13 3i5f n LYS 528 Cb 0.47 -1.76 0.55 0.00 -0.65 0.00 0.00 35.03 33.64 3i5f n LYS 528 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 3i5f h PRO 529 N -2.02 0.29 -1.73 -1.58 0.11 -1.95 -3.19 132.00 121.93 3i5f h PRO 529 Ca -0.52 -0.02 -0.45 0.00 0.11 0.00 0.00 66.00 65.12 3i5f h PRO 529 Cb 1.34 -0.07 -0.37 0.00 0.11 0.00 0.00 31.00 32.02 3i5f h PRO 529 CO 0.38 0.20 -1.09 -1.33 -0.21 0.00 0.00 178.00 175.94 3i5f n MET 530 N -4.60 0.96 -4.77 1.05 2.81 -1.26 -4.75 117.12 106.57 3i5f n MET 530 Ca 0.27 -3.18 -0.33 0.00 -1.81 0.00 0.00 57.70 52.66 3i5f n MET 530 Cb 1.00 -1.60 -0.07 0.00 -0.71 0.00 0.00 33.22 31.84 3i5f n MET 530 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3i5f s GLY 531 N -2.22 3.07 0.00 3.03 0.00 -1.21 -4.84 107.32 105.16 3i5f s GLY 531 Ca 0.37 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.88 3i5f s GLY 531 CO -0.08 -2.19 0.00 1.39 0.00 0.00 0.00 173.10 172.22 3i5f n ILE 532 N -1.28 0.00 -0.34 0.90 5.41 -1.04 -0.23 119.36 122.78 3i5f n ILE 532 Ca -0.20 0.00 0.28 0.00 1.00 0.00 0.00 62.75 63.83 3i5f n ILE 532 Cb 0.67 0.00 0.45 0.00 -0.71 0.00 0.00 39.64 40.05 3i5f n ILE 532 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3i5f n LEU 533 N 0.00 0.10 -0.03 1.39 4.77 -1.01 -1.23 117.00 120.98 3i5f n LEU 533 Ca 0.00 0.81 -0.13 0.00 -0.03 0.00 0.00 56.01 56.66 3i5f n LEU 533 Cb 0.00 -0.40 -0.08 0.00 -2.33 0.00 0.00 43.42 40.61 3i5f n LEU 533 CO 0.00 -0.86 0.66 0.77 -1.33 0.00 0.00 177.39 176.63 3i5f h SER 534 N 0.00 0.14 -0.60 -1.43 4.64 -0.78 -2.62 113.55 112.89 3i5f h SER 534 Ca 0.57 -0.42 -0.09 0.00 -0.47 0.00 0.00 61.79 61.37 3i5f h SER 534 Cb 1.96 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.99 3i5f h SER 534 CO -0.21 0.53 0.01 0.40 -0.87 0.00 0.00 176.83 176.69 3i5f h ILE 535 N -0.26 1.26 -0.01 0.95 2.04 -0.55 -1.59 117.51 119.36 3i5f h ILE 535 Ca 0.01 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.74 3i5f h ILE 535 Cb 0.48 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3i5f h ILE 535 CO 0.01 0.41 0.02 0.25 0.00 0.00 0.00 178.15 178.84 3i5f h LEU 536 N 0.97 0.00 0.03 1.44 5.85 -1.06 -0.63 115.31 121.91 3i5f h LEU 536 Ca 0.17 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.67 3i5f h LEU 536 Cb 0.54 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 3i5f h LEU 536 CO 0.03 0.00 -1.07 -0.33 -0.34 0.00 0.00 178.44 176.73 3i5f h GLU 537 N 0.00 0.07 0.00 1.25 4.39 -0.91 -2.81 114.58 116.57 3i5f h GLU 537 Ca 0.00 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.59 3i5f h GLU 537 Cb 0.03 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3i5f h GLU 537 CO -0.00 1.05 0.00 0.39 -1.16 0.00 0.00 179.01 179.29 3i5f n GLU 538 N -3.39 0.00 -0.23 2.33 1.02 -0.29 -2.69 120.64 117.39 3i5f n GLU 538 Ca -0.02 0.11 -0.02 0.00 -0.02 0.00 0.00 57.16 57.21 3i5f n GLU 538 Cb 0.96 -0.98 0.00 0.00 -0.02 0.00 0.00 31.44 31.40 3i5f n GLU 538 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3i5f n GLU 539 N -0.84 -0.17 0.30 3.49 -0.58 -0.91 0.46 120.64 122.38 3i5f n GLU 539 Ca 0.00 0.88 0.09 0.00 -0.42 0.00 0.00 57.16 57.71 3i5f n GLU 539 Cb 0.00 -1.30 0.50 0.00 -0.57 0.00 0.00 31.44 30.07 3i5f n GLU 539 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i5f n MET 541 N -2.59 0.54 -3.26 0.00 2.81 1.64 -4.79 117.12 111.48 3i5f n MET 541 Ca -0.01 -0.15 -0.45 0.00 -1.81 0.00 0.00 57.70 55.28 3i5f n MET 541 Cb 0.54 -1.53 -0.01 0.00 -0.71 0.00 0.00 33.22 31.51 3i5f n MET 541 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3i5f s PHE 542 N -3.42 4.01 0.00 2.03 0.40 -0.63 -4.94 117.98 115.43 3i5f s PHE 542 Ca -0.05 -2.42 0.00 0.00 -0.60 0.00 0.00 56.93 53.86 3i5f s PHE 542 Cb 0.14 -3.93 0.00 0.00 0.51 0.00 0.00 43.02 39.74 3i5f s PHE 542 CO 0.89 -1.05 0.00 -2.30 0.70 0.00 0.00 175.22 173.46 3i5f n PRO 543 N 3.56 0.00 -0.15 0.24 -0.02 -1.26 0.63 135.00 138.00 3i5f n PRO 543 Ca 0.24 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.72 3i5f n PRO 543 Cb 0.42 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.89 3i5f n PRO 543 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3i5f n LYS 544 N -1.99 0.30 -3.25 -0.52 2.85 -1.26 -4.80 118.16 109.50 3i5f n LYS 544 Ca 0.00 -0.03 -0.39 0.00 -1.05 0.00 0.00 58.31 56.84 3i5f n LYS 544 Cb 0.00 -1.39 -0.06 0.00 -0.65 0.00 0.00 35.03 32.92 3i5f n LYS 544 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i5f s ALA 545 N 1.56 3.51 0.10 0.58 0.00 0.21 -5.06 121.76 122.67 3i5f s ALA 545 Ca 0.02 -0.29 0.10 0.00 0.00 0.00 0.00 51.96 51.79 3i5f s ALA 545 Cb 0.01 -2.78 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 3i5f s ALA 545 CO 0.00 -0.29 -0.26 -1.54 0.00 0.00 0.00 175.76 173.68 3i5f s SER 546 N 0.96 3.36 0.05 0.00 1.04 -1.26 -4.98 113.70 112.88 3i5f s SER 546 Ca 0.26 -0.68 -0.25 0.00 0.48 0.00 0.00 55.95 55.76 3i5f s SER 546 Cb -0.15 -0.29 -0.17 0.00 0.10 0.00 0.00 66.02 65.51 3i5f s SER 546 CO 0.10 0.20 1.56 0.44 0.98 0.00 0.00 173.24 176.52 3i5f h ASP 547 N 4.11 -0.16 -1.10 7.02 3.32 -1.98 0.54 116.42 128.16 3i5f h ASP 547 Ca -0.50 -0.12 0.31 0.00 0.02 0.00 0.00 57.03 56.75 3i5f h ASP 547 Cb 1.16 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.70 3i5f h ASP 547 CO 0.41 0.02 0.78 0.74 -1.72 0.00 0.00 179.24 179.46 3i5f h THR 548 N -0.34 0.46 0.10 0.35 2.02 -1.96 1.13 112.91 114.68 3i5f h THR 548 Ca -0.02 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 3i5f h THR 548 Cb 0.27 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 3i5f h THR 548 CO 0.03 0.01 -0.05 -1.28 0.37 0.00 0.00 175.52 174.61 3i5f h SER 549 N 0.08 -0.12 -0.09 4.18 0.87 -1.18 -2.74 113.55 114.54 3i5f h SER 549 Ca 0.54 -0.16 0.03 0.00 -1.23 0.00 0.00 61.79 60.97 3i5f h SER 549 Cb 2.01 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 64.00 3i5f h SER 549 CO -0.06 0.09 0.10 0.15 -0.53 0.00 0.00 176.83 176.58 3i5f h PHE 550 N -0.33 0.00 0.00 2.24 3.57 0.63 -0.97 116.94 122.08 3i5f h PHE 550 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3i5f h PHE 550 Cb 0.27 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.01 3i5f h PHE 550 CO -0.01 0.00 -1.14 0.36 -2.23 0.00 0.00 178.31 175.29 3i5f n LYS 551 N -3.81 0.61 0.18 1.11 2.85 -0.87 -2.60 118.16 115.63 3i5f n LYS 551 Ca -0.01 0.08 -0.14 0.00 -1.05 0.00 0.00 58.31 57.19 3i5f n LYS 551 Cb 0.20 -1.79 -0.08 0.00 -0.65 0.00 0.00 35.03 32.72 3i5f n LYS 551 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 3i5f h ASN 552 N 0.00 -0.38 0.52 -5.58 2.35 -0.89 0.66 115.58 112.26 3i5f h ASN 552 Ca 0.00 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 3i5f h ASN 552 Cb 1.00 0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.45 3i5f h ASN 552 CO 0.00 -0.06 -0.46 0.50 -1.65 0.00 0.00 177.43 175.76 3i5f h LYS 553 N -0.72 -0.93 0.01 0.81 3.64 -1.57 0.54 116.57 118.35 3i5f h LYS 553 Ca -0.05 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3i5f h LYS 553 Cb 0.49 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 3i5f h LYS 553 CO 0.08 -0.62 -0.06 -0.07 -2.27 0.00 0.00 179.45 176.50 3i5f h LEU 554 N -0.97 -0.18 -0.85 5.20 3.38 -1.47 -2.09 115.31 118.33 3i5f h LEU 554 Ca -0.06 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.07 3i5f h LEU 554 Cb 0.83 0.07 -0.14 0.00 0.09 0.00 0.00 40.66 41.51 3i5f h LEU 554 CO -0.03 -0.06 -0.32 -1.22 0.09 0.00 0.00 178.44 176.90 3i5f n TYR 555 N -2.79 0.05 0.00 1.13 0.53 0.23 -2.28 117.16 114.03 3i5f n TYR 555 Ca -0.01 1.05 0.00 0.00 -1.02 0.00 0.00 57.90 57.92 3i5f n TYR 555 Cb 0.05 -0.84 0.00 0.00 -1.03 0.00 0.00 39.34 37.52 3i5f n TYR 555 CO 0.00 0.00 0.00 -3.47 -1.02 0.00 0.00 176.86 172.37 3i5f n ASP 556 N -5.27 0.00 -0.14 7.72 -0.08 0.18 0.12 116.55 119.08 3i5f n ASP 556 Ca 0.09 0.67 -0.05 0.00 -1.51 0.00 0.00 54.79 54.00 3i5f n ASP 556 Cb 0.35 -0.17 -0.04 0.00 2.34 0.00 0.00 41.12 43.60 3i5f n ASP 556 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 3i5f h ASN 557 N 0.00 -0.81 0.34 1.67 2.35 -0.96 -3.30 115.58 114.87 3i5f h ASN 557 Ca 0.00 0.12 -0.33 0.00 -0.55 0.00 0.00 56.30 55.54 3i5f h ASN 557 Cb 0.00 0.35 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3i5f h ASN 557 CO 0.00 -0.10 -1.69 0.45 -1.65 0.00 0.00 177.43 174.43 3i5f h HIS 558 N -0.04 0.46 0.00 1.19 3.86 -1.51 -3.46 115.15 115.66 3i5f h HIS 558 Ca 0.05 -0.34 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 3i5f h HIS 558 Cb 0.18 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.63 3i5f h HIS 558 CO -0.90 1.48 0.00 -0.11 0.86 0.00 0.00 177.93 179.26 3i5f n LEU 559 N -3.44 0.00 -3.57 2.43 7.94 0.33 0.55 117.00 121.24 3i5f n LEU 559 Ca -0.21 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.29 3i5f n LEU 559 Cb 1.05 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.98 3i5f n LEU 559 CO 0.48 0.00 2.76 0.61 -1.11 0.00 0.00 177.39 180.13 3i5f n GLY 560 N 0.00 4.00 0.00 -3.96 0.00 -1.26 -3.81 105.19 100.16 3i5f n GLY 560 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.56 3i5f n GLY 560 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i5f n LYS 561 N 5.46 0.00 -2.70 1.61 5.02 0.19 -4.93 118.16 122.81 3i5f n LYS 561 Ca 0.58 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.78 3i5f n LYS 561 Cb 0.33 -0.26 0.06 0.00 -0.02 0.00 0.00 35.03 35.14 3i5f n LYS 561 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3i5f n ASN 562 N 0.00 0.03 0.00 4.39 2.85 -1.17 -5.03 115.26 116.33 3i5f n ASN 562 Ca 0.00 -2.67 0.00 0.00 -0.11 0.00 0.00 54.58 51.80 3i5f n ASN 562 Cb 0.17 0.13 0.00 0.00 1.24 0.00 0.00 39.78 41.32 3i5f n ASN 562 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3i5f n PRO 563 N -0.23 0.00 0.00 1.20 -0.02 -1.26 -2.07 135.00 132.62 3i5f n PRO 563 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3i5f n PRO 563 Cb 0.82 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.30 3i5f n PRO 563 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3i5f n MET 564 N 0.00 0.14 -3.87 -0.52 2.81 -1.26 -4.32 117.12 110.11 3i5f n MET 564 Ca 0.00 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 55.66 3i5f n MET 564 Cb 0.00 -1.01 -0.17 0.00 -0.71 0.00 0.00 33.22 31.33 3i5f n MET 564 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 3i5f s PHE 565 N -1.85 0.83 0.36 2.03 5.36 -0.88 -3.41 117.98 120.43 3i5f s PHE 565 Ca 0.00 -0.28 -0.14 0.00 -0.96 0.00 0.00 56.93 55.55 3i5f s PHE 565 Cb 0.00 -0.86 0.06 0.00 -0.34 0.00 0.00 43.02 41.88 3i5f s PHE 565 CO 0.00 -0.34 0.75 0.41 -1.46 0.00 0.00 175.22 174.58 3i5f n GLY 566 N 4.92 1.03 3.69 13.12 0.00 -1.12 -4.65 105.19 122.18 3i5f n GLY 566 Ca -0.11 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 3i5f n GLY 566 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i5f s LYS 567 N -2.08 4.15 0.38 1.61 1.02 -1.26 0.30 119.74 123.85 3i5f s LYS 567 Ca 0.15 2.52 -0.25 0.00 0.02 0.00 0.00 55.97 58.41 3i5f s LYS 567 Cb -0.04 -3.55 -0.09 0.00 -0.52 0.00 0.00 37.83 33.63 3i5f s LYS 567 CO 0.11 -0.80 1.09 -1.25 -0.92 0.00 0.00 175.35 173.57 3i5f s PRO 568 N 2.56 4.23 0.53 -1.68 0.04 -1.24 -4.49 135.00 134.95 3i5f s PRO 568 Ca 0.78 1.65 -0.11 0.00 0.04 0.00 0.00 61.00 63.36 3i5f s PRO 568 Cb -0.45 -2.70 -0.05 0.00 0.04 0.00 0.00 34.50 31.34 3i5f s PRO 568 CO 0.35 -0.12 0.93 0.15 0.04 0.00 0.00 177.00 178.35 3i5f s LYS 569 N -2.24 3.70 0.35 4.56 1.02 -1.26 -4.92 119.74 120.95 3i5f s LYS 569 Ca 0.55 0.64 0.06 0.00 0.02 0.00 0.00 55.97 57.24 3i5f s LYS 569 Cb -0.26 -2.21 -0.01 0.00 -0.52 0.00 0.00 37.83 34.84 3i5f s LYS 569 CO 0.33 -0.34 0.49 -1.25 -0.92 0.00 0.00 175.35 173.67 3i5f s PRO 570 N -4.61 3.11 0.00 -1.68 0.05 -1.26 -4.73 135.00 125.88 3i5f s PRO 570 Ca 0.54 -0.96 0.00 0.00 0.05 0.00 0.00 61.00 60.62 3i5f s PRO 570 Cb -0.10 -2.79 0.00 0.00 0.05 0.00 0.00 34.50 31.65 3i5f s PRO 570 CO 0.43 0.02 0.00 -2.30 0.05 0.00 0.00 177.00 175.20 3i5f n PRO 571 N -1.69 0.00 0.11 0.56 -0.02 -1.26 -5.09 135.00 127.61 3i5f n PRO 571 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3i5f n PRO 571 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.06 3i5f n PRO 571 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3i5f n LYS 572 N 0.00 0.00 -0.21 -0.52 4.81 -1.26 -4.90 118.16 116.08 3i5f n LYS 572 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3i5f n LYS 572 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3i5f n LYS 572 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i5f n ALA 573 N -3.12 0.94 -2.65 3.14 0.00 -1.26 -5.14 120.51 112.44 3i5f n ALA 573 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3i5f n ALA 573 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 3i5f n ALA 573 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i5f s GLY 574 N 0.00 2.75 0.00 0.00 0.00 -1.26 -4.88 107.32 103.93 3i5f s GLY 574 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.66 3i5f s GLY 574 CO 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 173.10 171.05 3i5f n ALA 576 N 0.17 0.00 -2.03 0.00 0.00 -1.26 -5.04 120.51 112.35 3i5f n ALA 576 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3i5f n ALA 576 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3i5f n ALA 576 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3i5f s GLU 577 N -1.50 4.20 0.40 0.00 2.12 -1.26 -4.76 118.70 117.90 3i5f s GLU 577 Ca 0.00 2.18 0.06 0.00 0.36 0.00 0.00 54.97 57.57 3i5f s GLU 577 Cb 0.00 -3.80 0.00 0.00 0.26 0.00 0.00 34.13 30.60 3i5f s GLU 577 CO 0.00 -0.76 0.56 0.00 -0.54 0.00 0.00 175.26 174.52 3i5f s ALA 578 N 3.33 4.25 0.12 6.30 0.00 -1.26 -4.70 121.76 129.81 3i5f s ALA 578 Ca 0.72 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 51.20 3i5f s ALA 578 Cb -0.35 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.02 3i5f s ALA 578 CO 0.30 -0.25 0.00 0.72 0.00 0.00 0.00 175.76 176.53 3i5f n HIS 579 N -1.85 -0.82 -4.47 0.00 -0.00 -0.33 -4.82 115.22 102.93 3i5f n HIS 579 Ca 0.04 0.15 -0.21 0.00 -0.00 0.00 0.00 57.72 57.69 3i5f n HIS 579 Cb 0.59 0.30 -0.16 0.00 -0.00 0.00 0.00 29.99 30.72 3i5f n HIS 579 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 3i5f s PHE 580 N -2.00 1.09 -0.45 4.41 -0.12 -1.25 -3.62 117.98 116.03 3i5f s PHE 580 Ca 0.00 -0.28 -0.16 0.00 -0.05 0.00 0.00 56.93 56.44 3i5f s PHE 580 Cb 0.00 -0.77 0.05 0.00 -0.63 0.00 0.00 43.02 41.68 3i5f s PHE 580 CO 0.00 -0.11 0.38 0.00 -0.05 0.00 0.00 175.22 175.44 3i5f s LEU 582 N 1.72 3.74 -0.06 0.00 2.96 -0.79 -2.79 118.68 123.45 3i5f s LEU 582 Ca 0.05 -1.92 -0.35 0.00 -0.22 0.00 0.00 54.13 51.69 3i5f s LEU 582 Cb -0.22 -2.56 -0.13 0.00 0.50 0.00 0.00 46.19 43.78 3i5f s LEU 582 CO 0.08 -1.33 1.79 1.41 -1.32 0.00 0.00 176.35 176.97 3i5f n HIS 583 N 8.51 2.25 -0.86 5.38 8.25 -1.22 -3.47 115.22 134.06 3i5f n HIS 583 Ca 0.39 0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.99 3i5f n HIS 583 Cb 0.49 -2.60 0.00 0.00 1.12 0.00 0.00 29.99 28.99 3i5f n HIS 583 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3i5f n HIS 584 N 5.72 0.00 0.00 4.41 8.25 -0.56 -4.76 115.22 128.28 3i5f n HIS 584 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 3i5f n HIS 584 Cb 0.27 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.38 3i5f n HIS 584 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 3i5f n TYR 585 N 0.00 0.00 -0.01 4.41 9.36 -1.26 -4.51 117.16 125.15 3i5f n TYR 585 Ca 0.00 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.22 3i5f n TYR 585 Cb 0.00 -0.21 -0.00 0.00 -0.63 0.00 0.00 39.34 38.50 3i5f n TYR 585 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3i5f n ALA 586 N -1.96 -0.02 -1.71 2.98 0.00 -1.26 -4.83 120.51 113.70 3i5f n ALA 586 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3i5f n ALA 586 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.79 3i5f n ALA 586 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5f n GLY 587 N -1.01 0.43 3.64 0.00 0.00 -1.26 -4.89 105.19 102.11 3i5f n GLY 587 Ca 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 3i5f n GLY 587 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i5f s SER 588 N 1.57 -0.38 0.22 1.61 1.04 -1.26 -1.50 113.70 115.01 3i5f s SER 588 Ca 0.00 0.66 0.11 0.00 0.48 0.00 0.00 55.95 57.20 3i5f s SER 588 Cb 0.00 0.93 -0.04 0.00 0.10 0.00 0.00 66.02 67.01 3i5f s SER 588 CO 0.00 -0.11 -0.16 -0.69 0.98 0.00 0.00 173.24 173.26 3i5f s VAL 589 N 0.77 2.76 -0.17 5.02 1.01 -1.23 -4.89 120.40 123.67 3i5f s VAL 589 Ca -0.03 -2.02 -0.01 0.00 0.00 0.00 0.00 61.98 59.92 3i5f s VAL 589 Cb -0.04 -2.39 -0.00 0.00 0.00 0.00 0.00 36.38 33.94 3i5f s VAL 589 CO -0.12 -0.23 -0.12 -0.44 0.00 0.00 0.00 175.10 174.20 3i5f s SER 590 N -3.08 3.86 0.16 3.32 0.01 -1.26 -1.89 113.70 114.82 3i5f s SER 590 Ca 0.26 -0.44 0.05 0.00 1.31 0.00 0.00 55.95 57.13 3i5f s SER 590 Cb -0.07 -1.62 -0.04 0.00 0.21 0.00 0.00 66.02 64.50 3i5f s SER 590 CO 0.14 0.05 0.13 -0.31 0.41 0.00 0.00 173.24 173.67 3i5f s TYR 591 N 1.01 3.15 -0.18 2.43 1.51 -1.00 -4.08 117.35 120.20 3i5f s TYR 591 Ca -0.01 -0.01 -0.06 0.00 -1.01 0.00 0.00 57.07 55.98 3i5f s TYR 591 Cb -0.15 -1.52 -0.03 0.00 -0.11 0.00 0.00 41.96 40.15 3i5f s TYR 591 CO -0.02 0.52 0.02 -1.54 -1.11 0.00 0.00 175.55 173.42 3i5f s SER 592 N -3.07 5.27 0.35 2.29 1.04 0.67 -1.18 113.70 119.08 3i5f s SER 592 Ca 0.31 -0.02 0.27 0.00 0.48 0.00 0.00 55.95 56.99 3i5f s SER 592 Cb -0.10 -1.89 1.00 0.00 0.10 0.00 0.00 66.02 65.13 3i5f s SER 592 CO 0.23 0.16 1.79 0.40 0.98 0.00 0.00 173.24 176.81 3i5f h ILE 593 N 5.01 0.00 0.00 -1.02 2.04 -1.88 -3.38 117.51 118.29 3i5f h ILE 593 Ca -0.35 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.08 3i5f h ILE 593 Cb 1.18 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 3i5f h ILE 593 CO 0.67 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.82 3i5f n ALA 594 N -1.90 0.00 -1.23 1.87 0.00 -1.26 -2.00 120.51 115.99 3i5f n ALA 594 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3i5f n ALA 594 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 3i5f n ALA 594 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5f n GLY 595 N 0.00 1.03 0.35 0.00 0.00 -1.26 -4.96 105.19 100.35 3i5f n GLY 595 Ca 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 46.02 45.64 3i5f n GLY 595 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3i5f h TRP 596 N 0.00 0.90 -0.62 1.61 4.06 -1.71 0.67 115.95 120.86 3i5f h TRP 596 Ca 0.00 0.02 0.03 0.00 2.06 0.00 0.00 58.89 61.00 3i5f h TRP 596 Cb 0.53 -0.30 -0.04 0.00 -1.00 0.00 0.00 29.16 28.34 3i5f h TRP 596 CO 0.00 0.56 0.38 -0.07 -3.56 0.00 0.00 178.44 175.76 3i5f h LEU 597 N 0.97 0.62 0.22 -4.49 3.38 -1.93 2.97 115.31 117.05 3i5f h LEU 597 Ca 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 3i5f h LEU 597 Cb -0.09 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3i5f h LEU 597 CO -0.06 0.43 -0.11 0.44 0.09 0.00 0.00 178.44 179.24 3i5f h ASP 598 N 0.75 -0.25 -0.31 -0.43 3.32 -1.63 -3.08 116.42 114.79 3i5f h ASP 598 Ca 0.25 -0.23 0.07 0.00 0.02 0.00 0.00 57.03 57.14 3i5f h ASP 598 Cb 0.02 0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.56 3i5f h ASP 598 CO -0.10 0.12 -0.30 0.11 -1.72 0.00 0.00 179.24 177.35 3i5f h LYS 599 N -0.66 -0.27 0.01 3.56 1.57 -0.04 -3.26 116.57 117.48 3i5f h LYS 599 Ca -0.03 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3i5f h LYS 599 Cb 0.47 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 3i5f h LYS 599 CO 0.05 -0.18 -0.04 -0.97 -0.57 0.00 0.00 179.45 177.75 3i5f h ASN 600 N -0.28 -0.11 -3.35 0.86 -0.73 0.53 -3.43 115.58 109.07 3i5f h ASN 600 Ca 0.15 0.01 -0.55 0.00 1.87 0.00 0.00 56.30 57.78 3i5f h ASN 600 Cb 0.52 0.04 -0.03 0.00 0.27 0.00 0.00 38.32 39.12 3i5f h ASN 600 CO -0.47 -0.04 0.40 -1.59 -0.37 0.00 0.00 177.43 175.37 3i5f s LYS 601 N -3.19 4.49 0.06 6.67 -2.85 -1.17 -1.21 119.74 122.55 3i5f s LYS 601 Ca -0.01 1.34 -0.31 0.00 -1.00 0.00 0.00 55.97 55.99 3i5f s LYS 601 Cb 0.00 -3.49 -0.07 0.00 -2.06 0.00 0.00 37.83 32.21 3i5f s LYS 601 CO 0.04 -0.14 1.48 0.34 0.10 0.00 0.00 175.35 177.17 3i5f s ASP 602 N 1.02 6.76 0.17 0.03 -1.08 -1.26 -4.84 116.67 117.47 3i5f s ASP 602 Ca 0.49 2.31 0.00 0.00 -0.52 0.00 0.00 52.55 54.83 3i5f s ASP 602 Cb -0.20 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.69 3i5f s ASP 602 CO 0.23 -0.75 0.00 -2.65 0.52 0.00 0.00 175.17 172.52 3i5f n PRO 603 N 4.92 1.51 0.00 4.34 -0.02 -1.26 -5.03 135.00 139.45 3i5f n PRO 603 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3i5f n PRO 603 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 3i5f n PRO 603 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3i5f n ILE 604 N -0.61 0.00 -1.53 4.25 5.41 -1.26 -4.88 119.36 120.74 3i5f n ILE 604 Ca 0.00 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.43 3i5f n ILE 604 Cb 0.00 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 38.83 3i5f n ILE 604 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3i5f n ASN 605 N 0.00 1.04 0.19 4.38 3.02 -1.26 -4.61 115.26 118.02 3i5f n ASN 605 Ca 0.00 -0.46 0.06 0.00 -0.03 0.00 0.00 54.58 54.15 3i5f n ASN 605 Cb 0.00 -1.23 0.30 0.00 -0.61 0.00 0.00 39.78 38.24 3i5f n ASN 605 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3i5f h GLU 606 N 14.83 0.00 -0.25 3.52 5.08 -1.95 3.26 114.58 139.06 3i5f h GLU 606 Ca -0.10 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 3i5f h GLU 606 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3i5f h GLU 606 CO 1.28 0.00 -0.03 -0.91 -1.00 0.00 0.00 179.01 178.34 3i5f h ASN 607 N 0.00 0.46 -0.26 1.42 2.35 -1.89 -0.13 115.58 117.54 3i5f h ASN 607 Ca 0.00 -0.34 -0.09 0.00 -0.55 0.00 0.00 56.30 55.32 3i5f h ASN 607 Cb 0.89 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 3i5f h ASN 607 CO 0.00 0.69 -0.17 0.58 -1.65 0.00 0.00 177.43 176.88 3i5f h VAL 608 N 0.22 1.31 -0.02 2.81 2.07 0.56 -1.41 116.25 121.78 3i5f h VAL 608 Ca 0.07 -1.29 0.01 0.00 0.82 0.00 0.00 66.70 66.31 3i5f h VAL 608 Cb 0.48 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 3i5f h VAL 608 CO 0.02 0.41 -0.33 0.58 0.02 0.00 0.00 177.57 178.26 3i5f h VAL 609 N 0.29 0.00 -0.44 2.57 2.07 -0.69 0.75 116.25 120.79 3i5f h VAL 609 Ca 0.05 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.70 3i5f h VAL 609 Cb 0.70 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3i5f h VAL 609 CO 0.05 0.00 0.31 -0.33 0.02 0.00 0.00 177.57 177.62 3i5f h GLU 610 N -0.40 0.00 0.00 1.57 4.39 -0.95 0.18 114.58 119.37 3i5f h GLU 610 Ca 0.01 -0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 3i5f h GLU 610 Cb 0.44 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 3i5f h GLU 610 CO -0.24 0.00 -0.30 1.25 -1.16 0.00 0.00 179.01 178.56 3i5f h LEU 611 N 0.00 0.00 -0.07 1.33 5.85 -0.00 -3.22 115.31 119.21 3i5f h LEU 611 Ca 0.21 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.77 3i5f h LEU 611 Cb 0.83 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.87 3i5f h LEU 611 CO -0.00 0.30 -0.57 -0.07 -0.34 0.00 0.00 178.44 177.77 3i5f h LEU 612 N 0.00 0.62 -1.56 2.25 3.38 0.16 -3.23 115.31 116.92 3i5f h LEU 612 Ca -0.00 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.29 3i5f h LEU 612 Cb 0.98 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3i5f h LEU 612 CO 0.04 1.20 0.00 0.00 0.09 0.00 0.00 178.44 179.77 3i5f n GLN 613 N -4.20 0.00 -3.70 1.13 6.02 -0.84 -4.07 117.38 111.72 3i5f n GLN 613 Ca -0.09 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.80 3i5f n GLN 613 Cb 0.64 -0.84 -0.11 0.00 1.02 0.00 0.00 30.24 30.94 3i5f n GLN 613 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3i5f s ASN 614 N -0.12 -0.48 0.00 1.08 0.01 -1.22 -4.99 114.94 109.22 3i5f s ASN 614 Ca 0.00 0.84 0.00 0.00 -0.71 0.00 0.00 52.86 52.99 3i5f s ASN 614 Cb 0.00 0.73 0.00 0.00 0.41 0.00 0.00 41.25 42.39 3i5f s ASN 614 CO 0.00 -0.19 0.00 -1.54 -1.51 0.00 0.00 177.10 173.86 3i5f n SER 615 N 4.27 0.00 -3.85 -1.22 3.41 -1.26 -4.61 113.62 110.36 3i5f n SER 615 Ca -0.24 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.23 3i5f n SER 615 Cb 0.55 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.35 3i5f n SER 615 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3i5f s LYS 616 N 0.00 0.17 0.00 4.33 2.20 -1.26 -4.90 119.74 120.27 3i5f s LYS 616 Ca 0.00 0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 3i5f s LYS 616 Cb 0.00 -0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.05 3i5f s LYS 616 CO 0.00 -0.05 0.32 0.39 -0.36 0.00 0.00 175.35 175.65 3i5f n GLU 617 N 3.59 0.00 -0.37 4.03 4.71 -1.26 -2.04 120.64 129.31 3i5f n GLU 617 Ca -0.20 0.32 0.34 0.00 -0.01 0.00 0.00 57.16 57.61 3i5f n GLU 617 Cb 0.55 -0.65 0.59 0.00 -1.01 0.00 0.00 31.44 30.92 3i5f n GLU 617 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 3i5f n PRO 618 N -0.81 -0.04 0.06 3.49 -0.02 -1.26 0.36 135.00 136.78 3i5f n PRO 618 Ca 0.00 1.22 -0.15 0.00 -2.02 0.00 0.00 63.50 62.56 3i5f n PRO 618 Cb 0.00 -2.30 -0.09 0.00 -0.02 0.00 0.00 33.50 31.09 3i5f n PRO 618 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3i5f h ILE 619 N 0.00 0.00 0.00 4.25 1.08 -1.76 0.62 117.51 121.70 3i5f h ILE 619 Ca 0.81 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 65.28 3i5f h ILE 619 Cb 2.37 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 36.12 3i5f h ILE 619 CO -0.57 0.00 0.00 0.52 -0.69 0.00 0.00 178.15 177.41 3i5f n VAL 620 N -5.21 0.00 -0.28 1.67 0.31 1.12 -0.91 118.33 115.03 3i5f n VAL 620 Ca -0.07 0.84 0.27 0.00 -0.01 0.00 0.00 64.34 65.37 3i5f n VAL 620 Cb 0.37 -1.44 0.50 0.00 -0.91 0.00 0.00 33.84 32.36 3i5f n VAL 620 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3i5f n LYS 621 N -0.61 -0.05 -0.13 5.55 5.02 -0.74 -0.79 118.16 126.41 3i5f n LYS 621 Ca 0.00 1.16 -0.09 0.00 -2.02 0.00 0.00 58.31 57.36 3i5f n LYS 621 Cb 0.00 -2.09 -0.01 0.00 -0.02 0.00 0.00 35.03 32.91 3i5f n LYS 621 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 3i5f h MET 622 N 0.00 0.58 -0.01 1.97 2.86 0.20 -3.31 114.93 117.22 3i5f h MET 622 Ca 0.72 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 58.25 3i5f h MET 622 Cb 1.93 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.50 3i5f h MET 622 CO -0.63 0.56 -0.21 1.28 1.06 0.00 0.00 176.91 178.97 3i5f n LEU 623 N -4.65 1.57 -1.16 1.22 4.77 0.03 -4.66 117.00 114.12 3i5f n LEU 623 Ca -0.00 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 3i5f n LEU 623 Cb 0.15 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3i5f n LEU 623 CO 0.37 0.30 0.51 0.49 -1.33 0.00 0.00 177.39 177.74 3i5f n PHE 624 N 0.02 0.00 0.00 -1.77 3.01 -0.08 -4.88 117.46 113.77 3i5f n PHE 624 Ca 0.06 -0.51 0.00 0.00 1.01 0.00 0.00 57.45 58.00 3i5f n PHE 624 Cb 0.29 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 3i5f n PHE 624 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3i5f n THR 625 N 0.87 0.00 -2.65 4.37 -2.24 -1.26 -4.95 114.28 108.41 3i5f n THR 625 Ca 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 3i5f n THR 625 Cb 0.40 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.75 3i5f n THR 625 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3i5f n PRO 626 N 0.05 0.03 0.00 -0.78 -0.04 -1.26 -5.20 135.00 127.80 3i5f n PRO 626 Ca 0.00 -0.55 0.00 0.00 -0.04 0.00 0.00 63.50 62.91 3i5f n PRO 626 Cb 0.00 -0.04 0.00 0.00 -0.04 0.00 0.00 33.50 33.42 3i5f n PRO 626 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i5f n ALA 643 N 0.66 0.00 -3.59 0.55 0.00 -1.26 -5.30 120.51 111.57 3i5f n ALA 643 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.07 3i5f n ALA 643 Cb 0.76 -0.02 -0.08 0.00 0.00 0.00 0.00 19.45 20.11 3i5f n ALA 643 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i5f n PHE 644 N -0.41 3.57 -0.52 0.00 3.01 -1.26 -4.71 117.46 117.14 3i5f n PHE 644 Ca 0.00 -4.05 0.08 0.00 1.01 0.00 0.00 57.45 54.48 3i5f n PHE 644 Cb 0.00 -0.80 0.25 0.00 -0.01 0.00 0.00 39.48 38.92 3i5f n PHE 644 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 3i5f n GLN 645 N 1.61 3.13 -1.63 -1.08 -0.06 -1.26 -4.73 117.38 113.35 3i5f n GLN 645 Ca 0.24 -2.53 -0.50 0.00 -2.00 0.00 0.00 57.00 52.22 3i5f n GLN 645 Cb 0.37 -1.61 -0.05 0.00 -4.06 0.00 0.00 30.24 24.89 3i5f n GLN 645 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49 3i5f n THR 646 N 0.49 0.45 0.23 1.69 5.66 -1.26 -4.30 114.28 117.24 3i5f n THR 646 Ca 0.19 -0.16 0.11 0.00 -3.05 0.00 0.00 64.05 61.13 3i5f n THR 646 Cb 0.69 -1.82 0.39 0.00 -1.55 0.00 0.00 70.33 68.04 3i5f n THR 646 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 175.07 171.73 3i5f h ILE 647 N 5.93 0.04 0.00 1.09 6.09 -1.48 -0.62 117.51 128.56 3i5f h ILE 647 Ca -0.43 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.05 3i5f h ILE 647 Cb 1.28 0.26 -0.00 0.00 0.47 0.00 0.00 36.82 38.84 3i5f h ILE 647 CO 0.97 0.00 -0.04 0.77 -3.07 0.00 0.00 178.15 176.77 3i5f h SER 648 N 0.00 0.00 -0.90 2.19 4.64 -1.82 -2.65 113.55 115.00 3i5f h SER 648 Ca 0.09 -0.13 0.20 0.00 -0.47 0.00 0.00 61.79 61.49 3i5f h SER 648 Cb 1.65 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.57 3i5f h SER 648 CO -0.00 0.58 -0.14 0.77 -0.87 0.00 0.00 176.83 177.17 3i5f h SER 649 N -1.00 -0.70 -0.84 4.97 4.64 -1.47 1.89 113.55 121.04 3i5f h SER 649 Ca -0.00 0.26 -0.02 0.00 -0.47 0.00 0.00 61.79 61.57 3i5f h SER 649 Cb 0.16 0.52 -0.04 0.00 -0.31 0.00 0.00 62.40 62.73 3i5f h SER 649 CO -0.00 -0.30 0.46 0.58 -0.87 0.00 0.00 176.83 176.71 3i5f h VAL 650 N 0.02 1.24 0.07 0.95 2.07 -1.61 -0.04 116.25 118.96 3i5f h VAL 650 Ca 0.47 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3i5f h VAL 650 Cb 0.79 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3i5f h VAL 650 CO -0.90 0.27 -0.03 -0.74 0.02 0.00 0.00 177.57 176.19 3i5f h HIS 651 N 1.17 -0.09 -0.96 1.57 2.76 0.32 -1.51 115.15 118.41 3i5f h HIS 651 Ca 0.30 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.57 3i5f h HIS 651 Cb 0.02 0.03 -0.07 0.00 1.55 0.00 0.00 27.41 28.94 3i5f h HIS 651 CO 0.01 0.33 0.62 0.87 -1.30 0.00 0.00 177.93 178.46 3i5f h LYS 652 N -0.53 0.95 0.00 5.26 1.57 -0.44 1.01 116.57 124.39 3i5f h LYS 652 Ca -0.01 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3i5f h LYS 652 Cb 0.46 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3i5f h LYS 652 CO 0.02 0.63 0.00 0.39 -0.57 0.00 0.00 179.45 179.92 3i5f n GLU 653 N -4.56 0.00 -0.34 3.15 1.02 -0.04 -2.52 120.64 117.34 3i5f n GLU 653 Ca 0.17 0.18 0.21 0.00 -0.02 0.00 0.00 57.16 57.70 3i5f n GLU 653 Cb 0.31 -0.96 0.44 0.00 -0.02 0.00 0.00 31.44 31.21 3i5f n GLU 653 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3i5f h SER 654 N 0.00 0.58 -0.75 1.62 4.64 -0.98 -1.35 113.55 117.31 3i5f h SER 654 Ca 0.00 0.14 0.14 0.00 -0.47 0.00 0.00 61.79 61.60 3i5f h SER 654 Cb 0.00 0.05 -0.10 0.00 -0.31 0.00 0.00 62.40 62.05 3i5f h SER 654 CO 0.00 0.04 0.29 0.25 -0.87 0.00 0.00 176.83 176.54 3i5f h LEU 655 N 0.47 0.26 0.50 5.97 5.85 0.12 -2.42 115.31 126.06 3i5f h LEU 655 Ca 0.66 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 59.47 3i5f h LEU 655 Cb 1.43 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.56 3i5f h LEU 655 CO -0.47 0.09 -0.24 0.78 -0.34 0.00 0.00 178.44 178.27 3i5f h ASN 656 N 0.43 -0.57 -1.00 1.25 2.35 -0.94 -1.96 115.58 115.14 3i5f h ASN 656 Ca 0.41 0.02 0.29 0.00 -0.55 0.00 0.00 56.30 56.48 3i5f h ASN 656 Cb 0.64 0.15 -0.04 0.00 0.05 0.00 0.00 38.32 39.11 3i5f h ASN 656 CO -0.41 -0.37 0.84 1.17 -1.65 0.00 0.00 177.43 177.01 3i5f n LYS 657 N -4.00 0.00 -0.02 0.81 4.81 -1.11 0.19 118.16 118.85 3i5f n LYS 657 Ca -0.08 0.66 -0.01 0.00 -0.87 0.00 0.00 58.31 58.01 3i5f n LYS 657 Cb 0.26 -1.56 -0.00 0.00 0.02 0.00 0.00 35.03 33.75 3i5f n LYS 657 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 3i5f h LEU 658 N 0.00 -0.04 -1.84 3.14 5.85 -0.86 -3.25 115.31 118.31 3i5f h LEU 658 Ca 0.48 0.00 0.17 0.00 0.84 0.00 0.00 57.88 59.37 3i5f h LEU 658 Cb 2.15 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 43.17 3i5f h LEU 658 CO -0.01 0.36 0.60 0.24 -0.34 0.00 0.00 178.44 179.29 3i5f h MET 659 N -0.82 0.00 0.19 1.25 2.86 0.24 0.66 114.93 119.31 3i5f h MET 659 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3i5f h MET 659 Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 3i5f h MET 659 CO 0.01 0.00 -0.09 0.87 1.06 0.00 0.00 176.91 178.76 3i5f h LYS 660 N 0.00 -0.25 -0.48 1.72 1.57 -1.48 -0.77 116.57 116.88 3i5f h LYS 660 Ca 0.27 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 59.16 3i5f h LYS 660 Cb 1.47 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.76 3i5f h LYS 660 CO -0.00 0.15 0.06 -0.91 -0.57 0.00 0.00 179.45 178.18 3i5f h ASN 661 N -0.78 -0.09 0.81 0.86 2.35 -0.01 -1.69 115.58 117.03 3i5f h ASN 661 Ca -0.03 0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.76 3i5f h ASN 661 Cb 0.52 0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 3i5f h ASN 661 CO 0.04 -0.01 -0.30 -0.07 -1.65 0.00 0.00 177.43 175.44 3i5f h LEU 662 N 0.18 0.00 -0.74 1.61 3.38 0.00 -1.79 115.31 117.96 3i5f h LEU 662 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3i5f h LEU 662 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3i5f h LEU 662 CO -0.35 0.30 0.00 -1.22 0.09 0.00 0.00 178.44 177.26 3i5f n TYR 663 N -3.52 0.05 -0.72 1.13 4.02 -0.30 -2.99 117.16 114.84 3i5f n TYR 663 Ca -0.00 -0.03 0.09 0.00 -0.01 0.00 0.00 57.90 57.94 3i5f n TYR 663 Cb 0.45 0.00 0.35 0.00 -0.02 0.00 0.00 39.34 40.12 3i5f n TYR 663 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3i5f n SER 664 N -0.09 4.83 -4.28 7.72 3.41 -0.67 -4.96 113.62 119.58 3i5f n SER 664 Ca 0.19 -2.62 -0.15 0.00 -0.26 0.00 0.00 58.87 56.03 3i5f n SER 664 Cb 0.28 -0.58 -0.10 0.00 -0.26 0.00 0.00 64.21 63.54 3i5f n SER 664 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3i5f s THR 665 N -2.15 0.81 -0.23 6.66 -4.23 -1.16 -4.11 115.64 111.21 3i5f s THR 665 Ca 0.50 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.76 3i5f s THR 665 Cb 0.34 -2.22 -0.01 0.00 1.34 0.00 0.00 72.50 71.96 3i5f s THR 665 CO 0.20 -0.40 0.80 -2.28 -0.54 0.00 0.00 174.62 172.40 3i5f s HIS 666 N -3.57 3.33 0.28 3.99 2.46 0.59 -4.82 115.29 117.54 3i5f s HIS 666 Ca 0.26 1.12 -0.19 0.00 0.47 0.00 0.00 55.06 56.72 3i5f s HIS 666 Cb 0.06 -3.02 -0.09 0.00 -0.13 0.00 0.00 32.58 29.40 3i5f s HIS 666 CO 0.06 -0.36 0.77 -1.25 -2.47 0.00 0.00 174.74 171.49 3i5f s PRO 667 N 2.67 4.22 -0.04 2.88 0.04 -1.26 0.40 135.00 143.91 3i5f s PRO 667 Ca 0.34 0.89 -0.01 0.00 0.04 0.00 0.00 61.00 62.25 3i5f s PRO 667 Cb -0.15 -2.68 0.03 0.00 0.04 0.00 0.00 34.50 31.74 3i5f s PRO 667 CO 0.08 0.28 0.07 -1.01 0.04 0.00 0.00 177.00 176.46 3i5f s HIS 668 N -1.72 -0.01 -0.37 0.56 3.76 0.10 -4.91 115.29 112.70 3i5f s HIS 668 Ca 0.49 0.28 -0.06 0.00 -0.15 0.00 0.00 55.06 55.61 3i5f s HIS 668 Cb -0.14 -0.31 0.06 0.00 1.11 0.00 0.00 32.58 33.30 3i5f s HIS 668 CO 0.20 -0.16 0.16 -0.06 -0.85 0.00 0.00 174.74 174.03 3i5f s PHE 669 N 1.64 3.33 -0.55 1.40 0.40 -1.26 -0.28 117.98 122.66 3i5f s PHE 669 Ca -0.02 -1.64 -0.20 0.00 -0.60 0.00 0.00 56.93 54.47 3i5f s PHE 669 Cb -0.12 -2.62 0.07 0.00 0.51 0.00 0.00 43.02 40.86 3i5f s PHE 669 CO -0.04 -0.81 0.70 0.08 0.70 0.00 0.00 175.22 175.86 3i5f s VAL 670 N 1.36 4.77 -0.98 -0.44 1.01 -1.24 -0.36 120.40 124.51 3i5f s VAL 670 Ca 0.01 -0.57 -0.19 0.00 0.00 0.00 0.00 61.98 61.23 3i5f s VAL 670 Cb -0.21 -4.41 0.12 0.00 0.00 0.00 0.00 36.38 31.88 3i5f s VAL 670 CO 0.01 -0.98 1.22 -0.13 0.00 0.00 0.00 175.10 175.21 3i5f s ARG 671 N 2.88 3.66 0.68 2.72 1.81 0.70 -2.04 118.95 129.37 3i5f s ARG 671 Ca 0.16 -1.78 -0.17 0.00 -1.72 0.00 0.00 55.73 52.22 3i5f s ARG 671 Cb -0.20 -5.00 0.01 0.00 -0.45 0.00 0.00 34.95 29.31 3i5f s ARG 671 CO 0.11 -1.84 1.26 0.00 -0.68 0.00 0.00 175.30 174.15 3i5f s ILE 673 N -1.64 -0.02 -0.18 0.00 1.01 -0.26 -4.06 121.20 116.05 3i5f s ILE 673 Ca 0.79 0.08 -0.17 0.00 0.00 0.00 0.00 60.65 61.35 3i5f s ILE 673 Cb -0.34 -0.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.98 3i5f s ILE 673 CO 0.42 0.03 0.45 -0.51 0.00 0.00 0.00 174.94 175.33 3i5f s ILE 674 N 0.46 5.17 0.05 2.92 2.07 -1.26 -1.69 121.20 128.92 3i5f s ILE 674 Ca -0.04 0.83 -0.19 0.00 -1.41 0.00 0.00 60.65 59.84 3i5f s ILE 674 Cb -0.05 -3.78 -0.13 0.00 0.13 0.00 0.00 42.46 38.63 3i5f s ILE 674 CO -0.02 0.25 1.34 1.55 -1.91 0.00 0.00 174.94 176.15 3i5f h PRO 675 N 7.25 0.45 -2.79 3.50 0.14 -1.86 -3.42 132.00 135.27 3i5f h PRO 675 Ca -0.36 -0.25 0.10 0.00 0.14 0.00 0.00 66.00 65.62 3i5f h PRO 675 Cb 1.16 0.02 -0.06 0.00 0.14 0.00 0.00 31.00 32.25 3i5f h PRO 675 CO 0.73 0.83 0.31 0.54 0.14 0.00 0.00 178.00 180.56 3i5f s ASN 676 N -6.28 -0.25 0.00 1.44 2.20 -1.26 -2.25 114.94 108.54 3i5f s ASN 676 Ca -0.14 -0.51 0.00 0.00 -0.94 0.00 0.00 52.86 51.27 3i5f s ASN 676 Cb 0.06 0.65 0.00 0.00 -2.00 0.00 0.00 41.25 39.96 3i5f s ASN 676 CO 0.78 -1.19 0.29 -0.62 -2.94 0.00 0.00 177.10 173.43 3i5f n GLU 677 N -0.46 0.00 -0.98 3.55 -0.58 -1.26 -4.65 120.64 116.26 3i5f n GLU 677 Ca -0.05 0.00 -0.45 0.00 -0.42 0.00 0.00 57.16 56.24 3i5f n GLU 677 Cb 0.60 -0.77 -0.08 0.00 -0.57 0.00 0.00 31.44 30.61 3i5f n GLU 677 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3i5f n LEU 678 N -0.41 0.61 -3.13 -4.62 4.77 -1.26 -4.48 117.00 108.47 3i5f n LEU 678 Ca 0.00 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 3i5f n LEU 678 Cb 0.00 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 3i5f n LEU 678 CO 0.00 -0.57 0.53 0.29 -1.33 0.00 0.00 177.39 176.31 3i5f n LYS 679 N 5.00 0.00 -4.77 3.23 4.01 -1.26 -4.80 118.16 119.56 3i5f n LYS 679 Ca 0.37 -0.24 -0.33 0.00 -0.51 0.00 0.00 58.31 57.60 3i5f n LYS 679 Cb -0.03 -1.50 -0.16 0.00 -0.51 0.00 0.00 35.03 32.83 3i5f n LYS 679 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 3i5f s THR 680 N 3.07 2.36 0.73 -0.18 2.01 -1.26 -4.98 115.64 117.39 3i5f s THR 680 Ca 0.00 -0.89 -0.18 0.00 0.31 0.00 0.00 61.69 60.94 3i5f s THR 680 Cb 0.00 -1.96 -0.15 0.00 0.01 0.00 0.00 72.50 70.40 3i5f s THR 680 CO 0.00 0.54 -0.44 -2.65 -0.69 0.00 0.00 174.62 171.38 3i5f n PRO 681 N 3.87 0.00 -0.93 4.92 -0.02 -1.25 -3.79 135.00 137.80 3i5f n PRO 681 Ca -0.19 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.28 3i5f n PRO 681 Cb 0.52 -1.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.00 3i5f n PRO 681 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i5f n GLY 682 N 2.95 0.00 3.30 -1.23 0.00 -1.26 -4.97 105.19 103.99 3i5f n GLY 682 Ca 0.03 0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.10 3i5f n GLY 682 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i5f s LEU 683 N -0.16 -0.74 -0.43 0.99 2.96 -1.25 -5.08 118.68 114.97 3i5f s LEU 683 Ca 0.01 0.73 -0.11 0.00 -0.22 0.00 0.00 54.13 54.54 3i5f s LEU 683 Cb -0.00 1.73 0.07 0.00 0.50 0.00 0.00 46.19 48.49 3i5f s LEU 683 CO 0.01 -0.14 0.28 -0.63 -1.32 0.00 0.00 176.35 174.55 3i5f s ILE 684 N 2.71 4.46 -1.03 6.68 -1.09 -1.26 -4.10 121.20 127.57 3i5f s ILE 684 Ca 0.02 -1.28 -0.23 0.00 -2.23 0.00 0.00 60.65 56.93 3i5f s ILE 684 Cb -0.09 -3.69 0.01 0.00 -1.58 0.00 0.00 42.46 37.10 3i5f s ILE 684 CO -0.16 -0.50 1.68 -0.62 -1.23 0.00 0.00 174.94 174.11 3i5f s ASP 685 N 2.16 6.00 0.24 3.58 -1.08 -0.96 -4.78 116.67 121.84 3i5f s ASP 685 Ca 0.03 -1.35 -0.11 0.00 -0.52 0.00 0.00 52.55 50.60 3i5f s ASP 685 Cb -0.23 -2.57 0.33 0.00 -1.46 0.00 0.00 42.92 38.99 3i5f s ASP 685 CO 0.03 -1.98 1.60 0.00 0.52 0.00 0.00 175.17 175.34 3i5f h ALA 686 N 9.99 0.52 -0.41 3.66 0.00 -1.86 -0.88 119.26 130.28 3i5f h ALA 686 Ca 0.20 0.31 0.07 0.00 0.00 0.00 0.00 54.91 55.49 3i5f h ALA 686 Cb 0.99 0.60 -0.09 0.00 0.00 0.00 0.00 17.79 19.29 3i5f h ALA 686 CO 1.35 -0.41 -0.41 0.00 0.00 0.00 0.00 179.25 179.79 3i5f h ALA 687 N 1.79 -0.37 0.33 0.00 0.00 -1.89 0.54 119.26 119.67 3i5f h ALA 687 Ca 0.38 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 3i5f h ALA 687 Cb 0.58 0.85 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3i5f h ALA 687 CO -0.81 -0.83 -0.21 1.25 0.00 0.00 0.00 179.25 178.64 3i5f h LEU 688 N -0.31 -0.54 0.32 0.00 5.85 -1.56 -2.28 115.31 116.79 3i5f h LEU 688 Ca 0.15 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3i5f h LEU 688 Cb 0.58 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3i5f h LEU 688 CO -0.57 -0.34 -0.26 0.58 -0.34 0.00 0.00 178.44 177.52 3i5f h VAL 689 N -0.53 0.46 0.00 1.05 2.07 -0.91 0.80 116.25 119.20 3i5f h VAL 689 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3i5f h VAL 689 Cb 0.44 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3i5f h VAL 689 CO 0.03 0.00 0.11 0.25 0.02 0.00 0.00 177.57 177.97 3i5f h LEU 690 N -0.58 0.00 0.09 2.57 5.85 0.06 -0.41 115.31 122.89 3i5f h LEU 690 Ca -0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3i5f h LEU 690 Cb 0.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3i5f h LEU 690 CO -0.02 0.00 -0.04 -0.74 -0.34 0.00 0.00 178.44 177.30 3i5f h HIS 691 N 0.00 -0.11 0.17 1.25 2.76 -0.25 -3.15 115.15 115.82 3i5f h HIS 691 Ca 0.00 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.18 3i5f h HIS 691 Cb 0.21 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.19 3i5f h HIS 691 CO 0.00 0.43 -0.20 1.96 -1.30 0.00 0.00 177.93 178.82 3i5f h GLN 692 N -0.79 -0.40 -1.54 5.26 4.20 -0.61 0.11 115.11 121.33 3i5f h GLN 692 Ca -0.01 0.03 0.45 0.00 0.06 0.00 0.00 58.65 59.18 3i5f h GLN 692 Cb 0.59 0.09 -0.07 0.00 0.30 0.00 0.00 27.48 28.39 3i5f h GLN 692 CO 0.02 -0.27 1.10 -0.07 -0.67 0.00 0.00 178.83 178.94 3i5f h LEU 693 N -0.41 0.04 -1.58 1.46 3.38 -1.15 0.21 115.31 117.26 3i5f h LEU 693 Ca 0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3i5f h LEU 693 Cb 0.40 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3i5f h LEU 693 CO -0.07 -0.01 0.00 0.54 0.09 0.00 0.00 178.44 178.98 3i5f n ARG 694 N -4.14 2.05 -0.79 1.13 1.74 0.36 -2.47 116.66 114.55 3i5f n ARG 694 Ca 0.35 -1.49 0.00 0.00 -0.77 0.00 0.00 57.85 55.94 3i5f n ARG 694 Cb 1.59 -1.37 -0.00 0.00 -1.02 0.00 0.00 32.46 31.66 3i5f n ARG 694 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i5f n ASN 696 N 0.12 1.77 0.00 0.00 3.02 -0.97 -4.85 115.26 114.35 3i5f n ASN 696 Ca -0.01 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 3i5f n ASN 696 Cb 0.77 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 3i5f n ASN 696 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i5f n GLY 697 N 1.51 0.78 0.29 7.41 0.00 -1.26 -5.01 105.19 108.91 3i5f n GLY 697 Ca -0.48 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.48 3i5f n GLY 697 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i5f h VAL 698 N 0.00 1.21 0.00 1.61 2.07 -1.89 0.05 116.25 119.30 3i5f h VAL 698 Ca 0.00 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3i5f h VAL 698 Cb 0.00 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 3i5f h VAL 698 CO 0.00 0.22 0.00 0.18 0.02 0.00 0.00 177.57 177.99 3i5f n LEU 699 N -4.52 0.00 0.02 2.57 4.77 -1.03 -3.41 117.00 115.41 3i5f n LEU 699 Ca 0.06 0.50 -0.19 0.00 -0.03 0.00 0.00 56.01 56.35 3i5f n LEU 699 Cb 0.07 -0.50 -0.14 0.00 -2.33 0.00 0.00 43.42 40.52 3i5f n LEU 699 CO 0.37 -0.04 0.09 -0.08 -1.33 0.00 0.00 177.39 176.40 3i5f h GLU 700 N 0.00 0.23 0.17 3.23 4.81 -1.32 -1.72 114.58 119.97 3i5f h GLU 700 Ca 0.00 -0.39 0.01 0.00 -0.13 0.00 0.00 59.36 58.85 3i5f h GLU 700 Cb 0.46 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 3i5f h GLU 700 CO 0.00 1.19 -0.49 0.78 -0.73 0.00 0.00 179.01 179.76 3i5f h GLY 701 N -0.49 -1.05 -0.31 1.92 0.00 -1.29 0.40 103.07 102.25 3i5f h GLY 701 Ca -0.12 0.58 0.28 0.00 0.00 0.00 0.00 47.33 48.08 3i5f h GLY 701 CO 0.11 -0.28 0.63 -2.22 0.00 0.00 0.00 176.54 174.78 3i5f h ILE 702 N -0.75 0.44 -0.35 2.60 2.04 -1.66 1.30 117.51 121.14 3i5f h ILE 702 Ca -0.00 -0.15 -0.16 0.00 1.00 0.00 0.00 64.86 65.55 3i5f h ILE 702 Cb 0.75 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3i5f h ILE 702 CO -0.25 0.08 -0.42 -0.09 0.00 0.00 0.00 178.15 177.47 3i5f h ARG 703 N 0.43 0.88 0.01 2.37 2.43 -0.01 -2.82 114.38 117.67 3i5f h ARG 703 Ca 0.67 -0.48 -0.04 0.00 -0.81 0.00 0.00 59.98 59.32 3i5f h ARG 703 Cb 1.52 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.10 3i5f h ARG 703 CO -0.45 1.12 -0.15 0.82 -1.51 0.00 0.00 179.97 179.80 3i5f h ILE 704 N 0.71 1.65 -0.42 1.20 2.04 0.25 -3.33 117.51 119.62 3i5f h ILE 704 Ca 0.05 -2.12 0.08 0.00 1.00 0.00 0.00 64.86 63.87 3i5f h ILE 704 Cb 1.01 3.06 -0.08 0.00 -0.74 0.00 0.00 36.82 40.07 3i5f h ILE 704 CO 0.10 0.56 -0.10 0.00 0.00 0.00 0.00 178.15 178.71 3i5f h ARG 706 N 0.01 0.17 -1.56 0.00 3.08 -1.60 1.02 114.38 115.49 3i5f h ARG 706 Ca 0.20 -0.01 -0.38 0.00 0.07 0.00 0.00 59.98 59.86 3i5f h ARG 706 Cb 0.30 -0.04 -0.16 0.00 0.08 0.00 0.00 29.97 30.16 3i5f h ARG 706 CO -0.42 0.11 0.45 0.36 -1.07 0.00 0.00 179.97 179.40 3i5f n LYS 707 N -4.95 1.97 0.00 0.04 2.85 -0.85 -4.69 118.16 112.54 3i5f n LYS 707 Ca 0.35 -1.83 0.00 0.00 -1.05 0.00 0.00 58.31 55.77 3i5f n LYS 707 Cb 1.20 -1.76 0.00 0.00 -0.65 0.00 0.00 35.03 33.83 3i5f n LYS 707 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3i5f n GLY 708 N 0.33 4.60 2.81 2.58 0.00 0.35 -5.08 105.19 110.79 3i5f n GLY 708 Ca 0.36 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 3i5f n GLY 708 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i5f s PHE 709 N 0.34 2.68 0.21 1.61 0.40 -1.24 -4.67 117.98 117.31 3i5f s PHE 709 Ca 0.00 -2.88 0.26 0.00 -0.60 0.00 0.00 56.93 53.71 3i5f s PHE 709 Cb 0.00 -2.33 1.12 0.00 0.51 0.00 0.00 43.02 42.32 3i5f s PHE 709 CO 0.00 -0.72 1.91 -1.00 0.70 0.00 0.00 175.22 176.11 3i5f h PRO 710 N 6.30 0.00 -5.10 0.24 0.13 -1.68 -3.41 132.00 128.48 3i5f h PRO 710 Ca 0.01 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.47 3i5f h PRO 710 Cb 0.88 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.84 3i5f h PRO 710 CO 0.60 0.18 0.01 -0.80 -0.23 0.00 0.00 178.00 177.76 3i5f s ASN 711 N -6.12 6.25 -0.33 1.44 0.01 -0.88 -4.89 114.94 110.43 3i5f s ASN 711 Ca -0.00 -0.65 0.03 0.00 -0.71 0.00 0.00 52.86 51.52 3i5f s ASN 711 Cb 0.11 -2.28 0.09 0.00 0.41 0.00 0.00 41.25 39.57 3i5f s ASN 711 CO 0.61 -0.78 0.03 -0.13 -1.51 0.00 0.00 177.10 175.32 3i5f s ARG 712 N 2.58 1.77 -0.20 -0.60 0.52 -1.26 0.81 118.95 122.56 3i5f s ARG 712 Ca 0.17 -1.71 -0.12 0.00 -0.52 0.00 0.00 55.73 53.55 3i5f s ARG 712 Cb -0.17 -3.17 -0.05 0.00 0.52 0.00 0.00 34.95 32.08 3i5f s ARG 712 CO 0.15 -0.85 0.21 0.42 0.02 0.00 0.00 175.30 175.25 3i5f s ILE 713 N 0.99 5.34 -0.20 1.52 -1.09 -0.24 -4.87 121.20 122.65 3i5f s ILE 713 Ca 0.05 0.34 -0.29 0.00 -2.23 0.00 0.00 60.65 58.52 3i5f s ILE 713 Cb -0.20 -3.55 -0.02 0.00 -1.58 0.00 0.00 42.46 37.11 3i5f s ILE 713 CO -0.06 0.37 1.47 -0.63 -1.23 0.00 0.00 174.94 174.86 3i5f s ILE 714 N 0.74 3.91 0.10 2.92 1.01 -1.26 -0.15 121.20 128.47 3i5f s ILE 714 Ca 0.11 1.06 -0.05 0.00 0.00 0.00 0.00 60.65 61.77 3i5f s ILE 714 Cb -0.13 -3.83 0.13 0.00 0.01 0.00 0.00 42.46 38.64 3i5f s ILE 714 CO 0.03 -0.26 0.61 -1.22 0.00 0.00 0.00 174.94 174.10 3i5f n TYR 715 N 7.61 0.06 0.03 3.97 4.02 -1.07 -1.31 117.16 130.48 3i5f n TYR 715 Ca 0.16 0.48 -0.02 0.00 -0.01 0.00 0.00 57.90 58.52 3i5f n TYR 715 Cb 0.45 -0.68 -0.01 0.00 -0.02 0.00 0.00 39.34 39.08 3i5f n TYR 715 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 3i5f h SER 716 N 0.00 -0.19 -0.92 7.72 0.02 -1.92 -0.94 113.55 117.33 3i5f h SER 716 Ca 0.16 0.02 0.13 0.00 -0.84 0.00 0.00 61.79 61.25 3i5f h SER 716 Cb 0.26 0.06 -0.14 0.00 0.14 0.00 0.00 62.40 62.72 3i5f h SER 716 CO -0.40 -0.08 -0.39 -0.62 -1.14 0.00 0.00 176.83 174.20 3i5f n GLU 717 N -2.71 -0.25 0.02 3.45 1.02 -0.42 0.17 120.64 121.91 3i5f n GLU 717 Ca -0.01 1.41 0.17 0.00 -0.02 0.00 0.00 57.16 58.70 3i5f n GLU 717 Cb 0.06 -2.08 0.65 0.00 -0.02 0.00 0.00 31.44 30.05 3i5f n GLU 717 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3i5f h PHE 718 N 0.00 0.07 0.20 -0.32 3.57 -0.94 -1.64 116.94 117.88 3i5f h PHE 718 Ca 0.29 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 3i5f h PHE 718 Cb 0.51 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.24 3i5f h PHE 718 CO -0.83 0.03 -0.10 -0.22 -2.23 0.00 0.00 178.31 174.96 3i5f h LYS 719 N 0.06 -0.26 0.00 1.11 3.64 0.30 -2.81 116.57 118.61 3i5f h LYS 719 Ca 0.22 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3i5f h LYS 719 Cb 0.81 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 3i5f h LYS 719 CO -0.02 0.13 0.00 0.94 -2.27 0.00 0.00 179.45 178.23 3i5f n GLN 720 N -4.98 0.00 0.00 1.90 7.27 -0.43 -3.12 117.38 118.02 3i5f n GLN 720 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.99 3i5f n GLN 720 Cb 0.26 -1.39 0.00 0.00 2.41 0.00 0.00 30.24 31.52 3i5f n GLN 720 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 3i5f n ARG 721 N -0.78 0.87 -0.26 3.69 0.63 -1.15 -4.87 116.66 114.79 3i5f n ARG 721 Ca 0.00 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 56.99 3i5f n ARG 721 Cb 0.00 -0.71 0.18 0.00 0.45 0.00 0.00 32.46 32.39 3i5f n ARG 721 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3i5f n TYR 722 N -1.49 0.61 -0.15 -0.14 4.02 -1.07 -4.55 117.16 114.39 3i5f n TYR 722 Ca 0.00 -0.63 -0.08 0.00 -0.01 0.00 0.00 57.90 57.18 3i5f n TYR 722 Cb 0.21 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.40 3i5f n TYR 722 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 3i5f h SER 723 N 1.87 0.57 -1.84 7.72 0.02 -1.76 -1.51 113.55 118.61 3i5f h SER 723 Ca 0.00 -0.12 0.55 0.00 -0.84 0.00 0.00 61.79 61.38 3i5f h SER 723 Cb 0.97 -0.15 -0.09 0.00 0.14 0.00 0.00 62.40 63.27 3i5f h SER 723 CO 0.08 0.53 1.30 -0.29 -1.14 0.00 0.00 176.83 177.30 3i5f h ILE 724 N 0.56 0.02 -0.70 3.27 2.10 -1.87 1.10 117.51 121.99 3i5f h ILE 724 Ca 0.15 -0.00 0.01 0.00 1.08 0.00 0.00 64.86 66.10 3i5f h ILE 724 Cb 0.11 0.01 -0.04 0.00 -1.09 0.00 0.00 36.82 35.82 3i5f h ILE 724 CO -0.02 0.00 0.46 -0.07 -1.08 0.00 0.00 178.15 177.44 3i5f h LEU 725 N 0.00 0.78 -6.83 2.19 3.38 -1.59 -3.38 115.31 109.86 3i5f h LEU 725 Ca 0.92 -0.02 -0.55 0.00 0.09 0.00 0.00 57.88 58.32 3i5f h LEU 725 Cb 3.55 -0.19 -0.40 0.00 0.09 0.00 0.00 40.66 43.71 3i5f h LEU 725 CO -0.11 0.56 -0.79 0.00 0.09 0.00 0.00 178.44 178.20 3i5f s ALA 726 N -6.13 0.93 0.00 1.53 0.00 0.38 -5.08 121.76 113.38 3i5f s ALA 726 Ca -0.13 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.40 3i5f s ALA 726 Cb 0.15 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.76 3i5f s ALA 726 CO 0.77 -1.76 0.00 -0.35 0.00 0.00 0.00 175.76 174.42 3i5f n PRO 727 N 4.86 2.66 -2.42 0.00 -0.05 -1.19 -4.86 135.00 134.00 3i5f n PRO 727 Ca -0.01 0.00 -0.05 0.00 -0.05 0.00 0.00 63.50 63.39 3i5f n PRO 727 Cb 0.41 0.00 0.01 0.00 -0.05 0.00 0.00 33.50 33.87 3i5f n PRO 727 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 175.50 175.72 3i5f n ASN 728 N -0.67 -1.16 0.26 3.54 0.23 -1.26 -5.05 115.26 111.15 3i5f n ASN 728 Ca 0.00 -1.81 0.15 0.00 -0.53 0.00 0.00 54.58 52.38 3i5f n ASN 728 Cb 0.00 1.94 0.63 0.00 -2.08 0.00 0.00 39.78 40.27 3i5f n ASN 728 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i5f h ALA 729 N 1.99 1.03 -1.59 -2.53 0.00 -2.05 -3.45 119.26 112.66 3i5f h ALA 729 Ca -0.17 -0.08 -0.54 0.00 0.00 0.00 0.00 54.91 54.13 3i5f h ALA 729 Cb 0.63 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3i5f h ALA 729 CO 0.22 0.10 1.21 0.08 0.00 0.00 0.00 179.25 180.86 3i5f s VAL 730 N -3.72 3.60 0.23 0.00 1.01 -1.26 -4.95 120.40 115.30 3i5f s VAL 730 Ca 0.00 0.48 -0.07 0.00 0.00 0.00 0.00 61.98 62.40 3i5f s VAL 730 Cb 0.10 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 3i5f s VAL 730 CO 0.57 -1.01 -0.09 -2.65 0.00 0.00 0.00 175.10 171.93 3i5f n PRO 731 N 8.83 0.00 -0.05 2.72 -0.02 -1.26 -4.66 135.00 140.56 3i5f n PRO 731 Ca 0.16 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.51 3i5f n PRO 731 Cb 0.50 -0.39 -0.07 0.00 -0.02 0.00 0.00 33.50 33.51 3i5f n PRO 731 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3i5f h SER 732 N -0.06 0.39 0.00 2.55 0.87 -1.95 -3.19 113.55 112.15 3i5f h SER 732 Ca -0.16 -0.51 0.00 0.00 -1.23 0.00 0.00 61.79 59.89 3i5f h SER 732 Cb 0.55 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 3i5f h SER 732 CO 0.15 0.82 0.16 1.23 -0.53 0.00 0.00 176.83 178.67 3i5f h GLY 733 N -0.03 0.00 -0.20 5.77 0.00 -2.04 0.15 103.07 106.71 3i5f h GLY 733 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3i5f h GLY 733 CO 0.04 0.00 -0.76 0.69 0.00 0.00 0.00 176.54 176.51 3i5f n PHE 734 N -2.34 0.00 -3.13 5.60 0.99 -1.21 -4.97 117.46 112.41 3i5f n PHE 734 Ca -0.01 0.00 -0.32 0.00 -0.00 0.00 0.00 57.45 57.12 3i5f n PHE 734 Cb 0.20 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.62 3i5f n PHE 734 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3i5f s ALA 735 N -2.60 3.36 -0.23 4.37 0.00 0.51 -5.05 121.76 122.11 3i5f s ALA 735 Ca 0.09 -0.05 -0.08 0.00 0.00 0.00 0.00 51.96 51.92 3i5f s ALA 735 Cb 0.14 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.51 3i5f s ALA 735 CO 0.69 0.30 0.10 0.34 0.00 0.00 0.00 175.76 177.18 3i5f s ASP 736 N -2.44 5.55 0.00 0.00 2.15 -1.26 -5.02 116.67 115.64 3i5f s ASP 736 Ca 0.53 -0.04 0.00 0.00 0.43 0.00 0.00 52.55 53.46 3i5f s ASP 736 Cb -0.10 -1.99 0.00 0.00 -0.30 0.00 0.00 42.92 40.53 3i5f s ASP 736 CO 0.20 0.05 0.87 0.61 -0.17 0.00 0.00 175.17 176.73 3i5f n GLY 737 N 4.40 -2.80 0.52 2.66 0.00 -1.26 -0.07 105.19 108.63 3i5f n GLY 737 Ca -0.16 0.53 0.32 0.00 0.00 0.00 0.00 46.02 46.71 3i5f n GLY 737 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3i5f h LYS 738 N 0.00 0.00 -0.17 1.61 3.64 -1.96 0.17 116.57 119.87 3i5f h LYS 738 Ca 0.00 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.18 3i5f h LYS 738 Cb 0.00 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3i5f h LYS 738 CO 0.00 0.00 -0.66 0.28 -2.27 0.00 0.00 179.45 176.80 3i5f h VAL 739 N 0.00 1.30 0.00 2.00 2.07 -0.90 -2.81 116.25 117.90 3i5f h VAL 739 Ca 0.49 -1.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.13 3i5f h VAL 739 Cb 2.28 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 34.02 3i5f h VAL 739 CO -0.01 0.59 -0.00 0.58 0.02 0.00 0.00 177.57 178.76 3i5f h VAL 740 N 0.46 0.00 -0.72 2.57 2.07 -0.22 -1.10 116.25 119.31 3i5f h VAL 740 Ca -0.04 -0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.57 3i5f h VAL 740 Cb 1.29 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.96 3i5f h VAL 740 CO 0.14 0.00 -0.36 0.41 0.02 0.00 0.00 177.57 177.78 3i5f n THR 741 N -2.00 -0.44 -0.36 2.57 -1.04 -0.96 0.18 114.28 112.23 3i5f n THR 741 Ca -0.00 1.71 0.03 0.00 -2.04 0.00 0.00 64.05 63.76 3i5f n THR 741 Cb 0.00 -2.18 0.19 0.00 -1.82 0.00 0.00 70.33 66.53 3i5f n THR 741 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 3i5f h ASP 742 N 0.00 1.01 -0.12 8.00 1.82 -1.48 0.02 116.42 125.67 3i5f h ASP 742 Ca 0.17 0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.78 3i5f h ASP 742 Cb 0.35 -0.20 -0.00 0.00 0.68 0.00 0.00 39.33 40.16 3i5f h ASP 742 CO -0.69 0.64 -0.07 0.11 -1.61 0.00 0.00 179.24 177.61 3i5f h LYS 743 N 1.14 0.26 -0.57 0.28 1.79 0.32 -2.22 116.57 117.58 3i5f h LYS 743 Ca 0.43 -0.12 0.11 0.00 -2.18 0.00 0.00 60.65 58.89 3i5f h LYS 743 Cb 0.20 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.81 3i5f h LYS 743 CO -0.17 0.62 0.38 0.00 -1.08 0.00 0.00 179.45 179.20 3i5f h ALA 744 N 0.63 2.14 0.00 3.86 0.00 0.90 -1.98 119.26 124.81 3i5f h ALA 744 Ca 0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3i5f h ALA 744 Cb 0.55 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3i5f h ALA 744 CO 0.02 -0.27 -0.50 -0.07 0.00 0.00 0.00 179.25 178.43 3i5f h LEU 745 N 0.29 0.00 -0.91 0.00 3.38 -1.00 -3.30 115.31 113.77 3i5f h LEU 745 Ca 0.27 -0.22 0.19 0.00 0.09 0.00 0.00 57.88 58.21 3i5f h LEU 745 Cb 0.65 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.23 3i5f h LEU 745 CO -0.06 0.89 -0.17 0.28 0.09 0.00 0.00 178.44 179.46 3i5f h SER 746 N -1.00 -0.76 -0.06 -0.43 0.02 -1.32 0.28 113.55 110.28 3i5f h SER 746 Ca -0.08 0.27 0.03 0.00 -0.84 0.00 0.00 61.79 61.17 3i5f h SER 746 Cb 0.62 0.54 -0.04 0.00 0.14 0.00 0.00 62.40 63.66 3i5f h SER 746 CO -0.05 -0.30 -0.16 0.00 -1.14 0.00 0.00 176.83 175.18 3i5f h ALA 747 N 1.91 -0.14 0.00 3.77 0.00 -1.54 -1.90 119.26 121.35 3i5f h ALA 747 Ca 0.46 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3i5f h ALA 747 Cb 0.75 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3i5f h ALA 747 CO -0.92 -0.63 0.00 1.28 0.00 0.00 0.00 179.25 178.98 3i5f n LEU 748 N -5.29 0.36 0.00 0.00 4.77 0.03 -4.86 117.00 112.00 3i5f n LEU 748 Ca -0.04 0.67 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 3i5f n LEU 748 Cb 0.21 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 3i5f n LEU 748 CO 0.24 -0.79 0.00 0.00 -1.33 0.00 0.00 177.39 175.51 3i5f n GLN 749 N -1.99 0.00 -1.18 3.23 1.13 -0.71 -5.01 117.38 112.85 3i5f n GLN 749 Ca -0.01 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.63 3i5f n GLN 749 Cb 0.02 -1.52 -0.04 0.00 0.11 0.00 0.00 30.24 28.82 3i5f n GLN 749 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 3i5f n LEU 750 N 0.00 -0.77 -4.73 1.08 7.94 -1.24 -4.89 117.00 114.39 3i5f n LEU 750 Ca 0.00 0.94 -0.42 0.00 -1.11 0.00 0.00 56.01 55.43 3i5f n LEU 750 Cb 0.00 -0.78 -0.03 0.00 0.53 0.00 0.00 43.42 43.14 3i5f n LEU 750 CO 0.00 -2.25 1.05 -0.62 -1.11 0.00 0.00 177.39 174.46 3i5f s ASP 751 N -0.62 6.80 0.60 1.96 -1.08 -1.26 -4.88 116.67 118.18 3i5f s ASP 751 Ca 0.59 2.48 0.39 0.00 -0.52 0.00 0.00 52.55 55.48 3i5f s ASP 751 Cb -0.84 -2.61 1.93 0.00 -1.46 0.00 0.00 42.92 39.94 3i5f s ASP 751 CO 0.47 -0.62 2.18 1.55 0.52 0.00 0.00 175.17 179.27 3i5f h PRO 752 N 5.62 0.00 -0.64 4.34 0.13 -1.90 -2.10 132.00 137.46 3i5f h PRO 752 Ca -0.44 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.69 3i5f h PRO 752 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 3i5f h PRO 752 CO 0.80 0.00 0.42 -0.91 -0.23 0.00 0.00 178.00 178.08 3i5f h ASN 753 N 0.00 0.73 0.82 1.44 2.35 -2.02 -2.86 115.58 116.05 3i5f h ASN 753 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3i5f h ASN 753 Cb 0.21 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.39 3i5f h ASN 753 CO 0.00 0.53 0.00 -0.33 -1.65 0.00 0.00 177.43 175.98 3i5f h GLU 754 N 0.86 0.00 -4.64 0.81 4.39 -1.76 -3.46 114.58 110.79 3i5f h GLU 754 Ca 0.24 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.69 3i5f h GLU 754 Cb -0.09 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 28.41 3i5f h GLU 754 CO -0.05 0.00 -0.65 1.52 -1.16 0.00 0.00 179.01 178.67 3i5f s TYR 755 N -3.74 1.10 -0.08 4.33 -0.00 -1.08 -0.44 117.35 117.44 3i5f s TYR 755 Ca 0.00 -1.15 -0.03 0.00 -0.00 0.00 0.00 57.07 55.90 3i5f s TYR 755 Cb 0.10 -0.62 0.04 0.00 -0.00 0.00 0.00 41.96 41.48 3i5f s TYR 755 CO 0.51 -0.38 0.06 1.03 -0.00 0.00 0.00 175.55 176.77 3i5f s ARG 756 N -4.00 0.07 -0.34 -3.49 1.81 0.23 -4.88 118.95 108.36 3i5f s ARG 756 Ca 0.26 0.20 -0.19 0.00 -1.72 0.00 0.00 55.73 54.28 3i5f s ARG 756 Cb 0.07 -0.97 -0.00 0.00 -0.45 0.00 0.00 34.95 33.59 3i5f s ARG 756 CO 0.05 -0.43 0.58 -0.51 -0.68 0.00 0.00 175.30 174.31 3i5f s LEU 757 N 2.12 4.25 0.00 2.53 1.43 -1.26 0.17 118.68 127.92 3i5f s LEU 757 Ca 0.04 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 3i5f s LEU 757 Cb -0.13 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.38 3i5f s LEU 757 CO -0.05 -0.50 0.00 0.61 0.23 0.00 0.00 176.35 176.64 3i5f n GLY 758 N 4.65 1.31 0.11 -3.19 0.00 0.13 -4.97 105.19 103.24 3i5f n GLY 758 Ca -0.03 -1.88 0.12 0.00 0.00 0.00 0.00 46.02 44.23 3i5f n GLY 758 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3i5f h ASN 759 N 0.00 0.00 0.00 1.61 2.35 -1.80 -3.41 115.58 114.33 3i5f h ASN 759 Ca 0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3i5f h ASN 759 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3i5f h ASN 759 CO 0.00 0.02 -0.32 0.41 -1.65 0.00 0.00 177.43 175.89 3i5f n THR 760 N -2.61 0.00 -4.32 2.81 -1.04 -1.26 -5.04 114.28 102.82 3i5f n THR 760 Ca 0.01 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 3i5f n THR 760 Cb 0.53 0.06 -0.10 0.00 -1.82 0.00 0.00 70.33 69.00 3i5f n THR 760 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3i5f s LYS 761 N -0.78 1.34 -0.11 -2.82 1.02 -1.26 -2.60 119.74 114.54 3i5f s LYS 761 Ca 0.00 -1.70 0.02 0.00 0.02 0.00 0.00 55.97 54.31 3i5f s LYS 761 Cb 0.00 -0.42 -0.01 0.00 -0.52 0.00 0.00 37.83 36.88 3i5f s LYS 761 CO 0.00 -0.19 -0.20 0.54 -0.92 0.00 0.00 175.35 174.58 3i5f s VAL 762 N -3.59 2.47 -0.23 3.17 0.11 0.79 0.21 120.40 123.33 3i5f s VAL 762 Ca 0.32 -0.87 -0.14 0.00 -2.93 0.00 0.00 61.98 58.35 3i5f s VAL 762 Cb 0.07 -1.98 -0.04 0.00 -1.53 0.00 0.00 36.38 32.89 3i5f s VAL 762 CO 0.10 0.55 0.32 -0.36 -3.33 0.00 0.00 175.10 172.37 3i5f s PHE 763 N 0.31 3.33 0.01 1.54 0.40 0.45 -1.08 117.98 122.94 3i5f s PHE 763 Ca -0.15 0.44 0.06 0.00 -0.60 0.00 0.00 56.93 56.69 3i5f s PHE 763 Cb -0.17 -2.45 -0.03 0.00 0.51 0.00 0.00 43.02 40.88 3i5f s PHE 763 CO 0.07 -0.03 -0.18 -0.06 0.70 0.00 0.00 175.22 175.72 3i5f s PHE 764 N 1.40 2.56 0.00 0.36 0.40 0.24 0.74 117.98 123.68 3i5f s PHE 764 Ca 0.14 -0.26 0.00 0.00 -0.60 0.00 0.00 56.93 56.22 3i5f s PHE 764 Cb -0.15 -1.51 0.00 0.00 0.51 0.00 0.00 43.02 41.88 3i5f s PHE 764 CO 0.07 0.20 0.00 1.63 0.70 0.00 0.00 175.22 177.82 3i5f n LYS 765 N 1.84 1.51 0.00 0.44 4.76 0.42 -2.08 118.16 125.05 3i5f n LYS 765 Ca -0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 3i5f n LYS 765 Cb 0.52 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.71 3i5f n LYS 765 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i5f n ALA 766 N -3.00 -0.07 0.06 7.82 0.00 -1.26 -4.28 120.51 119.78 3i5f n ALA 766 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3i5f n ALA 766 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 3i5f n ALA 766 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5f n GLY 767 N 1.44 -0.47 0.00 0.00 0.00 -1.26 -3.90 105.19 101.00 3i5f n GLY 767 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3i5f n GLY 767 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i5f n VAL 768 N -1.61 0.00 0.28 1.61 0.24 -1.26 -0.28 118.33 117.30 3i5f n VAL 768 Ca -0.00 1.35 0.11 0.00 -2.04 0.00 0.00 64.34 63.75 3i5f n VAL 768 Cb 0.18 -2.20 0.57 0.00 -1.47 0.00 0.00 33.84 30.93 3i5f n VAL 768 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3i5f h LEU 769 N 0.00 0.00 0.48 1.34 3.38 -1.86 0.82 115.31 119.47 3i5f h LEU 769 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3i5f h LEU 769 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i5f h LEU 769 CO 0.00 0.00 -0.23 1.23 0.09 0.00 0.00 178.44 179.53 3i5f h GLY 770 N 0.00 -0.67 0.73 0.83 0.00 -1.35 -2.44 103.07 100.18 3i5f h GLY 770 Ca 0.00 0.25 0.03 0.00 0.00 0.00 0.00 47.33 47.61 3i5f h GLY 770 CO 0.00 -0.24 0.06 1.98 0.00 0.00 0.00 176.54 178.34 3i5f h MET 771 N -1.11 0.15 -0.12 4.80 1.85 0.10 0.25 114.93 120.85 3i5f h MET 771 Ca -0.07 -0.01 0.05 0.00 -0.61 0.00 0.00 59.70 59.06 3i5f h MET 771 Cb 0.49 -0.03 -0.06 0.00 0.43 0.00 0.00 31.60 32.42 3i5f h MET 771 CO 0.11 0.10 -0.30 -0.07 -0.40 0.00 0.00 176.91 176.35 3i5f h LEU 772 N 0.16 -0.93 -0.66 3.39 3.38 -1.02 0.89 115.31 120.52 3i5f h LEU 772 Ca 0.11 0.14 0.13 0.00 0.09 0.00 0.00 57.88 58.36 3i5f h LEU 772 Cb 0.11 0.40 -0.10 0.00 0.09 0.00 0.00 40.66 41.15 3i5f h LEU 772 CO -0.14 -0.34 0.13 -0.33 0.09 0.00 0.00 178.44 177.85 3i5f h GLU 773 N -0.38 0.24 0.00 1.13 4.39 -1.00 0.28 114.58 119.25 3i5f h GLU 773 Ca 0.10 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.78 3i5f h GLU 773 Cb 0.52 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 3i5f h GLU 773 CO -0.34 0.16 0.00 -3.47 -1.16 0.00 0.00 179.01 174.20 3i5f n ASP 774 N -5.16 0.00 -0.24 1.42 -0.08 0.98 -1.62 116.55 111.85 3i5f n ASP 774 Ca 0.11 0.88 0.30 0.00 -1.51 0.00 0.00 54.79 54.58 3i5f n ASP 774 Cb 0.38 -0.38 0.51 0.00 2.34 0.00 0.00 41.12 43.97 3i5f n ASP 774 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 3i5f h MET 775 N 0.00 0.00 0.11 -0.67 2.86 0.94 -0.88 114.93 117.29 3i5f h MET 775 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3i5f h MET 775 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3i5f h MET 775 CO 0.00 0.00 -0.05 -0.09 1.06 0.00 0.00 176.91 177.83 3i5f h ARG 776 N 0.00 -0.15 -0.88 1.72 2.43 0.34 -2.91 114.38 114.93 3i5f h ARG 776 Ca 0.51 0.01 0.23 0.00 -0.81 0.00 0.00 59.98 59.92 3i5f h ARG 776 Cb 2.85 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 32.38 3i5f h ARG 776 CO -0.01 -0.10 0.61 -0.44 -1.51 0.00 0.00 179.97 178.53 3i5f h ASP 777 N -0.53 0.17 0.00 -3.80 3.32 -0.21 2.48 116.42 117.85 3i5f h ASP 777 Ca -0.02 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i5f h ASP 777 Cb 0.12 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3i5f h ASP 777 CO 0.03 0.07 0.00 1.21 -1.72 0.00 0.00 179.24 178.82 3i5f n GLU 778 N -4.38 0.66 -0.03 3.56 2.13 -0.70 -2.02 120.64 119.86 3i5f n GLU 778 Ca 0.19 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.97 3i5f n GLU 778 Cb 0.83 -1.49 -0.01 0.00 0.27 0.00 0.00 31.44 31.04 3i5f n GLU 778 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 3i5f n ARG 779 N -0.99 0.18 -0.43 5.31 3.00 0.82 -3.98 116.66 120.58 3i5f n ARG 779 Ca 0.15 0.07 0.38 0.00 -0.00 0.00 0.00 57.85 58.45 3i5f n ARG 779 Cb 0.07 -0.76 0.65 0.00 0.00 0.00 0.00 32.46 32.42 3i5f n ARG 779 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3i5f n LEU 780 N -3.29 0.24 0.03 6.15 7.94 -0.52 0.11 117.00 127.66 3i5f n LEU 780 Ca -0.05 1.43 -0.01 0.00 -1.11 0.00 0.00 56.01 56.27 3i5f n LEU 780 Cb 0.18 -0.70 -0.00 0.00 0.53 0.00 0.00 43.42 43.42 3i5f n LEU 780 CO 0.07 -1.56 0.46 -1.28 -1.11 0.00 0.00 177.39 173.97 3i5f h SER 781 N 0.00 -0.06 -0.86 1.96 0.87 -1.62 -1.52 113.55 112.32 3i5f h SER 781 Ca 0.86 0.00 0.23 0.00 -1.23 0.00 0.00 61.79 61.65 3i5f h SER 781 Cb 2.66 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 64.58 3i5f h SER 781 CO -0.53 -0.04 0.60 0.50 -0.53 0.00 0.00 176.83 176.83 3i5f h LYS 782 N -0.07 0.16 0.51 2.24 3.64 0.66 -0.79 116.57 122.93 3i5f h LYS 782 Ca -0.01 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3i5f h LYS 782 Cb 0.05 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3i5f h LYS 782 CO 0.01 0.10 -0.25 0.82 -2.27 0.00 0.00 179.45 177.87 3i5f h ILE 783 N 0.16 0.42 -0.46 2.00 2.04 0.93 -1.09 117.51 121.52 3i5f h ILE 783 Ca 0.43 -0.32 0.11 0.00 1.00 0.00 0.00 64.86 66.07 3i5f h ILE 783 Cb 1.43 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 3i5f h ILE 783 CO -0.08 0.05 0.32 0.40 0.00 0.00 0.00 178.15 178.84 3i5f h ILE 784 N -0.91 0.84 -0.52 -0.67 2.04 -0.12 0.43 117.51 118.60 3i5f h ILE 784 Ca -0.07 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 3i5f h ILE 784 Cb 0.61 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 3i5f h ILE 784 CO 0.12 0.03 0.20 0.28 0.00 0.00 0.00 178.15 178.77 3i5f h SER 785 N 0.14 0.73 -0.80 1.72 0.02 -0.89 -0.86 113.55 113.61 3i5f h SER 785 Ca 0.21 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3i5f h SER 785 Cb 0.66 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.98 3i5f h SER 785 CO -0.03 0.71 0.48 0.24 -1.14 0.00 0.00 176.83 177.10 3i5f h MET 786 N 0.71 1.09 0.72 3.45 2.86 0.11 0.24 114.93 124.10 3i5f h MET 786 Ca 0.17 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 3i5f h MET 786 Cb 0.22 -0.23 0.01 0.00 0.06 0.00 0.00 31.60 31.66 3i5f h MET 786 CO -0.01 0.77 -0.35 0.35 1.06 0.00 0.00 176.91 178.72 3i5f h PHE 787 N 1.10 -0.92 0.00 -0.22 3.57 -0.62 0.19 116.94 120.04 3i5f h PHE 787 Ca 0.29 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.77 3i5f h PHE 787 Cb -0.04 0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.00 3i5f h PHE 787 CO -0.01 -0.57 0.10 1.04 -2.23 0.00 0.00 178.31 176.65 3i5f n GLN 788 N -5.51 0.00 -0.02 1.11 6.02 -0.38 0.21 117.38 118.81 3i5f n GLN 788 Ca -0.14 0.35 0.02 0.00 -0.01 0.00 0.00 57.00 57.22 3i5f n GLN 788 Cb 0.40 -1.60 -0.13 0.00 1.02 0.00 0.00 30.24 29.93 3i5f n GLN 788 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i5f n ALA 789 N -1.35 2.14 0.37 -1.58 0.00 0.79 -2.37 120.51 118.52 3i5f n ALA 789 Ca 0.00 -0.74 0.12 0.00 0.00 0.00 0.00 53.44 52.82 3i5f n ALA 789 Cb 0.10 -0.67 0.23 0.00 0.00 0.00 0.00 19.45 19.11 3i5f n ALA 789 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i5f h HIS 790 N 0.00 0.00 0.15 0.00 3.86 0.50 -3.01 115.15 116.65 3i5f h HIS 790 Ca -0.21 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.69 3i5f h HIS 790 Cb 1.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.01 3i5f h HIS 790 CO 0.00 0.00 -1.52 0.82 0.86 0.00 0.00 177.93 178.09 3i5f h ILE 791 N 0.00 1.19 0.00 2.45 2.04 -0.65 -2.05 117.51 120.49 3i5f h ILE 791 Ca 0.00 -2.78 0.00 0.00 1.00 0.00 0.00 64.86 63.08 3i5f h ILE 791 Cb 0.89 2.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.81 3i5f h ILE 791 CO 0.00 0.84 0.00 0.54 0.00 0.00 0.00 178.15 179.53 3i5f n ARG 792 N -3.53 0.71 -0.03 2.37 1.74 -1.00 -2.34 116.66 114.57 3i5f n ARG 792 Ca -0.17 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.88 3i5f n ARG 792 Cb 1.06 -1.22 -0.06 0.00 -1.02 0.00 0.00 32.46 31.22 3i5f n ARG 792 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i5f n GLY 793 N 0.30 -0.35 0.09 -0.13 0.00 -1.14 -3.83 105.19 100.12 3i5f n GLY 793 Ca 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 3i5f n GLY 793 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3i5f h TYR 794 N 0.00 -0.20 -0.51 1.61 3.20 -0.97 -1.42 116.97 118.67 3i5f h TYR 794 Ca -0.18 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.79 3i5f h TYR 794 Cb 1.37 0.07 -0.10 0.00 1.54 0.00 0.00 36.73 39.60 3i5f h TYR 794 CO 0.00 -0.12 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.05 3i5f h LEU 795 N -0.28 -0.94 -1.15 2.82 3.38 -1.76 0.23 115.31 117.62 3i5f h LEU 795 Ca -0.02 0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3i5f h LEU 795 Cb 0.17 0.48 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3i5f h LEU 795 CO 0.04 -0.28 0.50 -0.03 0.09 0.00 0.00 178.44 178.76 3i5f h MET 796 N -0.15 1.08 -0.35 1.13 4.05 -1.66 -2.03 114.93 117.00 3i5f h MET 796 Ca 0.23 -0.08 -0.03 0.00 -0.28 0.00 0.00 59.70 59.53 3i5f h MET 796 Cb 0.51 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 31.06 3i5f h MET 796 CO -0.60 0.74 0.08 0.00 0.23 0.00 0.00 176.91 177.36 3i5f h ARG 797 N 1.10 0.51 -0.61 0.39 3.08 0.56 -2.49 114.38 116.91 3i5f h ARG 797 Ca 0.29 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 3i5f h ARG 797 Cb -0.07 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.86 3i5f h ARG 797 CO -0.06 0.48 0.20 -0.22 -1.07 0.00 0.00 179.97 179.30 3i5f h LYS 798 N 0.50 0.94 0.00 0.04 3.64 -0.43 -2.36 116.57 118.90 3i5f h LYS 798 Ca 0.12 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3i5f h LYS 798 Cb 0.21 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3i5f h LYS 798 CO -0.00 0.83 -0.02 0.00 -2.27 0.00 0.00 179.45 177.99 3i5f h ALA 799 N 1.07 0.99 -0.22 5.00 0.00 -1.39 -2.59 119.26 122.12 3i5f h ALA 799 Ca 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3i5f h ALA 799 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3i5f h ALA 799 CO -0.01 0.00 0.10 -0.92 0.00 0.00 0.00 179.25 178.42 3i5f h TYR 800 N 0.00 0.29 0.00 0.00 3.20 -0.97 0.46 116.97 119.95 3i5f h TYR 800 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3i5f h TYR 800 Cb 0.80 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.98 3i5f h TYR 800 CO 0.00 0.22 0.00 1.17 -1.64 0.00 0.00 178.16 177.91 3i5f n LYS 801 N -4.46 0.00 -0.33 1.82 0.00 -0.98 -2.03 118.16 112.18 3i5f n LYS 801 Ca 0.00 0.37 0.20 0.00 0.00 0.00 0.00 58.31 58.88 3i5f n LYS 801 Cb 0.11 -1.27 0.38 0.00 0.00 0.00 0.00 35.03 34.25 3i5f n LYS 801 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 3i5f h LYS 802 N 0.00 0.02 0.00 1.64 3.64 -1.35 0.98 116.57 121.51 3i5f h LYS 802 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i5f h LYS 802 Cb 0.00 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3i5f h LYS 802 CO 0.00 0.02 0.00 1.28 -2.27 0.00 0.00 179.45 178.48 3i5f n LEU 803 N -5.40 0.00 -0.01 5.20 4.77 0.15 -0.95 117.00 120.77 3i5f n LEU 803 Ca 0.28 0.15 -0.16 0.00 -0.03 0.00 0.00 56.01 56.25 3i5f n LEU 803 Cb 0.92 -0.15 -0.14 0.00 -2.33 0.00 0.00 43.42 41.72 3i5f n LEU 803 CO -0.03 -0.03 -0.69 0.00 -1.33 0.00 0.00 177.39 175.31 3i5f n GLN 804 N -1.15 0.71 0.13 3.23 6.02 0.34 -3.70 117.38 122.96 3i5f n GLN 804 Ca 0.15 0.28 -0.07 0.00 -0.01 0.00 0.00 57.00 57.34 3i5f n GLN 804 Cb 0.14 -1.74 -0.04 0.00 1.02 0.00 0.00 30.24 29.62 3i5f n GLN 804 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 3i5f h ASP 805 N 0.04 -0.36 0.00 1.08 3.32 -1.11 -3.28 116.42 116.11 3i5f h ASP 805 Ca -0.37 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.66 3i5f h ASP 805 Cb 2.03 0.09 0.00 0.00 0.22 0.00 0.00 39.33 41.67 3i5f h ASP 805 CO 0.08 0.10 0.03 0.00 -1.72 0.00 0.00 179.24 177.73 3i5f n GLN 806 N -5.06 0.00 -0.02 3.56 6.02 -0.12 0.99 117.38 122.75 3i5f n GLN 806 Ca -0.06 0.05 0.07 0.00 -0.01 0.00 0.00 57.00 57.06 3i5f n GLN 806 Cb 0.18 -1.53 -0.16 0.00 1.02 0.00 0.00 30.24 29.75 3i5f n GLN 806 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3i5f n ARG 807 N -0.91 0.66 -0.04 -1.09 0.63 -1.24 -2.84 116.66 111.84 3i5f n ARG 807 Ca 0.00 -0.16 -0.09 0.00 -0.92 0.00 0.00 57.85 56.68 3i5f n ARG 807 Cb 0.03 -1.51 -0.08 0.00 0.45 0.00 0.00 32.46 31.35 3i5f n ARG 807 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 3i5f h ILE 808 N 0.00 1.03 -0.43 5.15 2.04 0.53 -1.46 117.51 124.36 3i5f h ILE 808 Ca -0.09 -1.69 0.04 0.00 1.00 0.00 0.00 64.86 64.13 3i5f h ILE 808 Cb 1.18 1.91 -0.07 0.00 -0.74 0.00 0.00 36.82 39.10 3i5f h ILE 808 CO 0.00 0.34 -0.41 1.23 0.00 0.00 0.00 178.15 179.32 3i5f h GLY 809 N -0.97 -1.32 0.31 5.37 0.00 -1.57 -1.38 103.07 103.50 3i5f h GLY 809 Ca -0.00 0.81 0.07 0.00 0.00 0.00 0.00 47.33 48.20 3i5f h GLY 809 CO 0.01 -0.29 -0.07 -2.00 0.00 0.00 0.00 176.54 174.18 3i5f h LEU 810 N -0.19 -0.30 -1.84 3.11 5.85 -1.62 -0.20 115.31 120.12 3i5f h LEU 810 Ca 0.07 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3i5f h LEU 810 Cb 0.38 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.62 3i5f h LEU 810 CO -0.51 -0.10 0.00 0.74 -0.34 0.00 0.00 178.44 178.23 3i5f h THR 811 N 0.02 0.00 0.00 1.05 2.02 -0.47 0.33 112.91 115.85 3i5f h THR 811 Ca 0.17 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.27 3i5f h THR 811 Cb 0.26 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 3i5f h THR 811 CO -0.36 0.00 0.00 0.18 0.37 0.00 0.00 175.52 175.71 3i5f n LEU 812 N -2.61 0.46 0.00 2.58 4.77 -0.15 -2.10 117.00 119.95 3i5f n LEU 812 Ca -0.01 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 3i5f n LEU 812 Cb 0.10 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 3i5f n LEU 812 CO 0.16 -0.37 0.30 -0.38 -1.33 0.00 0.00 177.39 175.78 3i5f n ILE 813 N -1.60 0.00 0.00 -0.08 5.41 -0.82 0.40 119.36 122.68 3i5f n ILE 813 Ca 0.00 1.04 0.00 0.00 1.00 0.00 0.00 62.75 64.79 3i5f n ILE 813 Cb 0.00 -1.47 0.00 0.00 -0.71 0.00 0.00 39.64 37.46 3i5f n ILE 813 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 3i5f n GLN 814 N -1.70 0.00 0.00 0.38 7.27 0.11 0.06 117.38 123.51 3i5f n GLN 814 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3i5f n GLN 814 Cb 0.00 -1.34 0.00 0.00 2.41 0.00 0.00 30.24 31.31 3i5f n GLN 814 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 3i5f n ARG 815 N -0.43 2.38 -0.11 3.69 1.85 0.16 -4.58 116.66 119.62 3i5f n ARG 815 Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.62 3i5f n ARG 815 Cb 0.00 -0.77 -0.11 0.00 -1.05 0.00 0.00 32.46 30.52 3i5f n ARG 815 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3i5f n ASN 816 N -0.93 1.88 0.28 2.89 3.02 0.11 -2.55 115.26 119.95 3i5f n ASN 816 Ca 0.00 0.41 0.18 0.00 -0.03 0.00 0.00 54.58 55.14 3i5f n ASN 816 Cb 0.00 -0.94 0.93 0.00 -0.61 0.00 0.00 39.78 39.15 3i5f n ASN 816 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3i5f h VAL 817 N -1.00 0.19 0.14 2.41 2.07 -1.48 0.59 116.25 119.16 3i5f h VAL 817 Ca -0.41 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 66.77 3i5f h VAL 817 Cb 1.36 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 3i5f h VAL 817 CO -0.25 0.00 -1.79 0.03 0.02 0.00 0.00 177.57 175.58 3i5f h ARG 818 N 0.00 0.29 -0.20 1.57 3.08 -1.76 -2.94 114.38 114.42 3i5f h ARG 818 Ca 0.04 -0.49 -0.03 0.00 0.07 0.00 0.00 59.98 59.57 3i5f h ARG 818 Cb 0.45 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 3i5f h ARG 818 CO -0.00 1.17 -0.03 -0.22 -1.07 0.00 0.00 179.97 179.82 3i5f h LYS 819 N 0.08 0.29 -0.12 0.04 1.63 0.15 -2.74 116.57 115.91 3i5f h LYS 819 Ca -0.35 -0.05 -0.08 0.00 -0.85 0.00 0.00 60.65 59.32 3i5f h LYS 819 Cb 2.05 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 33.64 3i5f h LYS 819 CO 0.13 0.34 -0.26 2.35 -3.45 0.00 0.00 179.45 178.57 3i5f h TRP 820 N 0.29 0.49 -0.99 1.91 7.01 -0.18 -2.83 115.95 121.65 3i5f h TRP 820 Ca 0.07 -0.18 0.23 0.00 2.11 0.00 0.00 58.89 61.11 3i5f h TRP 820 Cb 0.24 -0.09 -0.09 0.00 -2.10 0.00 0.00 29.16 27.12 3i5f h TRP 820 CO 0.00 0.87 0.63 -0.07 -2.79 0.00 0.00 178.44 177.09 3i5f h LEU 821 N -0.04 0.53 -1.15 0.65 3.38 -1.29 0.71 115.31 118.11 3i5f h LEU 821 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3i5f h LEU 821 Cb 0.85 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3i5f h LEU 821 CO 0.06 0.16 0.00 0.52 0.09 0.00 0.00 178.44 179.27 3i5f n VAL 822 N -4.63 0.44 0.00 1.22 0.31 -1.07 -3.85 118.33 110.75 3i5f n VAL 822 Ca 0.23 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3i5f n VAL 822 Cb 0.74 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 3i5f n VAL 822 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3i5f n LEU 823 N 0.06 0.00 0.16 7.52 4.77 0.23 -4.73 117.00 125.02 3i5f n LEU 823 Ca 0.06 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.13 3i5f n LEU 823 Cb 0.32 0.00 0.50 0.00 -2.33 0.00 0.00 43.42 41.91 3i5f n LEU 823 CO 0.06 0.00 0.82 -2.11 -1.33 0.00 0.00 177.39 174.82 3i5f n ARG 824 N -0.78 0.12 -0.87 3.23 1.85 -0.34 -1.42 116.66 118.44 3i5f n ARG 824 Ca 0.00 0.61 0.02 0.00 -1.00 0.00 0.00 57.85 57.49 3i5f n ARG 824 Cb 0.08 -2.01 0.17 0.00 -1.05 0.00 0.00 32.46 29.66 3i5f n ARG 824 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3i5f n ASN 825 N -2.18 1.98 -4.31 2.89 3.02 -1.26 -4.90 115.26 110.50 3i5f n ASN 825 Ca -0.01 -3.68 -0.39 0.00 -0.03 0.00 0.00 54.58 50.47 3i5f n ASN 825 Cb 0.14 -0.49 -0.12 0.00 -0.61 0.00 0.00 39.78 38.70 3i5f n ASN 825 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3i5f s TRP 826 N -2.96 3.26 0.26 3.10 -0.00 -0.50 -5.00 118.94 117.09 3i5f s TRP 826 Ca 0.39 -1.25 -0.07 0.00 -0.00 0.00 0.00 56.10 55.17 3i5f s TRP 826 Cb 0.38 -2.38 0.47 0.00 -0.00 0.00 0.00 33.47 31.93 3i5f s TRP 826 CO -0.07 -0.71 1.60 1.49 -0.00 0.00 0.00 176.95 179.27 3i5f h GLU 827 N 8.32 0.04 -0.45 5.86 4.57 -1.94 0.47 114.58 131.45 3i5f h GLU 827 Ca -0.24 -0.00 0.04 0.00 -1.18 0.00 0.00 59.36 57.98 3i5f h GLU 827 Cb 1.09 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.63 3i5f h GLU 827 CO 0.64 0.02 0.20 -1.49 -1.18 0.00 0.00 179.01 177.20 3i5f h TRP 828 N 0.04 0.36 0.26 0.92 4.06 -1.96 -2.84 115.95 116.78 3i5f h TRP 828 Ca 0.45 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 61.41 3i5f h TRP 828 Cb 0.77 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.82 3i5f h TRP 828 CO -0.55 0.17 -0.29 2.35 -3.56 0.00 0.00 178.44 176.55 3i5f h TRP 829 N 0.40 -0.81 -0.87 0.49 7.01 -0.40 -1.01 115.95 120.75 3i5f h TRP 829 Ca 0.20 0.01 0.25 0.00 2.11 0.00 0.00 58.89 61.45 3i5f h TRP 829 Cb 0.14 0.32 -0.04 0.00 -2.10 0.00 0.00 29.16 27.48 3i5f h TRP 829 CO -0.12 -0.38 0.62 -0.09 -2.79 0.00 0.00 178.44 175.68 3i5f h ARG 830 N -0.56 0.04 0.00 2.65 2.43 -1.41 -1.38 114.38 116.15 3i5f h ARG 830 Ca -0.03 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3i5f h ARG 830 Cb 0.49 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3i5f h ARG 830 CO -0.05 0.03 0.00 -0.11 -1.51 0.00 0.00 179.97 178.33 3i5f n LEU 831 N -4.30 0.19 -0.19 3.80 7.94 -0.93 -2.93 117.00 120.58 3i5f n LEU 831 Ca 0.18 0.75 0.04 0.00 -1.11 0.00 0.00 56.01 55.87 3i5f n LEU 831 Cb 0.91 -0.38 0.09 0.00 0.53 0.00 0.00 43.42 44.57 3i5f n LEU 831 CO 0.38 -0.38 0.36 0.33 -1.11 0.00 0.00 177.39 176.97 3i5f n PHE 832 N -1.64 0.22 -0.15 1.96 7.35 -0.43 -1.12 117.46 123.64 3i5f n PHE 832 Ca 0.00 0.64 -0.07 0.00 -0.76 0.00 0.00 57.45 57.27 3i5f n PHE 832 Cb 0.00 -0.82 -0.01 0.00 0.35 0.00 0.00 39.48 39.00 3i5f n PHE 832 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 3i5f h ASN 833 N 0.00 -1.13 1.17 -2.13 2.35 -1.16 -0.76 115.58 113.91 3i5f h ASN 833 Ca 0.26 0.21 0.00 0.00 -0.55 0.00 0.00 56.30 56.22 3i5f h ASN 833 Cb 0.43 0.54 0.00 0.00 0.05 0.00 0.00 38.32 39.34 3i5f h ASN 833 CO -0.54 -0.32 -0.37 0.50 -1.65 0.00 0.00 177.43 175.05 3i5f h LYS 834 N -0.22 0.00 -0.01 0.81 1.63 -1.08 -3.01 116.57 114.69 3i5f h LYS 834 Ca 0.19 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 3i5f h LYS 834 Cb 0.54 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 3i5f h LYS 834 CO -0.59 0.00 -0.03 0.28 -3.45 0.00 0.00 179.45 175.66 3i5f n VAL 835 N -2.26 0.00 0.06 2.00 0.31 -0.86 -3.93 118.33 113.65 3i5f n VAL 835 Ca 0.04 -0.12 -0.03 0.00 -0.01 0.00 0.00 64.34 64.22 3i5f n VAL 835 Cb 0.45 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.36 3i5f n VAL 835 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3i5f h LYS 836 N 1.09 -0.19 0.00 5.55 3.64 -1.01 -3.11 116.57 122.53 3i5f h LYS 836 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3i5f h LYS 836 Cb 0.28 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3i5f h LYS 836 CO 0.00 -0.13 0.23 -0.35 -2.27 0.00 0.00 179.45 176.93 3i5f n PRO 837 N -3.77 0.00 -1.12 1.90 -0.04 -1.25 -3.44 135.00 127.29 3i5f n PRO 837 Ca -0.02 0.19 -0.33 0.00 -0.04 0.00 0.00 63.50 63.30 3i5f n PRO 837 Cb 0.08 -1.73 -0.03 0.00 -0.04 0.00 0.00 33.50 31.78 3i5f n PRO 837 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3i5f n LEU 838 N -1.15 7.47 0.00 1.53 7.94 -1.18 -5.19 117.00 126.43 3i5f n LEU 838 Ca 0.00 -3.87 0.00 0.00 -1.11 0.00 0.00 56.01 51.03 3i5f n LEU 838 Cb 0.23 -1.41 0.00 0.00 0.53 0.00 0.00 43.42 42.77 3i5f n LEU 838 CO 0.00 1.60 0.00 0.18 -1.11 0.00 0.00 177.39 178.06