#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i5h s THR 2 N 0.00 0.39 0.00 2.03 -4.23 -1.26 -4.94 115.64 107.63 3i5h s THR 2 Ca 0.00 -1.11 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 3i5h s THR 2 Cb 0.00 -0.60 0.00 0.00 1.34 0.00 0.00 72.50 73.24 3i5h s THR 2 CO 0.00 -0.48 0.00 0.23 -0.54 0.00 0.00 174.62 173.83 3i5h n MET 3 N 1.35 0.00 -3.52 3.99 2.81 -1.26 -4.55 117.12 115.93 3i5h n MET 3 Ca -0.22 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.25 3i5h n MET 3 Cb 0.55 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 32.98 3i5h n MET 3 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3i5h s ASP 4 N -4.00 5.81 0.55 7.83 -1.08 -1.26 -4.91 116.67 119.61 3i5h s ASP 4 Ca 0.00 -1.59 0.23 0.00 -0.52 0.00 0.00 52.55 50.68 3i5h s ASP 4 Cb 0.00 -2.05 1.26 0.00 -1.46 0.00 0.00 42.92 40.66 3i5h s ASP 4 CO 0.00 -0.63 1.68 -0.26 0.52 0.00 0.00 175.17 176.48 3i5h h PHE 5 N 8.54 0.00 0.00 -5.34 0.05 -1.96 0.11 116.94 118.33 3i5h h PHE 5 Ca -0.24 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.55 3i5h h PHE 5 Cb 1.09 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.04 3i5h h PHE 5 CO 0.63 0.00 -1.24 0.43 -0.18 0.00 0.00 178.31 177.96 3i5h n SER 6 N -2.59 0.69 -4.69 2.17 7.64 -1.26 -3.83 113.62 111.75 3i5h n SER 6 Ca -0.02 -0.64 -0.44 0.00 1.01 0.00 0.00 58.87 58.78 3i5h n SER 6 Cb 0.38 1.20 -0.04 0.00 -1.01 0.00 0.00 64.21 64.75 3i5h n SER 6 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3i5h n ASP 7 N -1.74 3.58 -0.37 6.43 -0.08 0.37 -4.87 116.55 119.87 3i5h n ASP 7 Ca 0.02 1.06 0.02 0.00 -1.51 0.00 0.00 54.79 54.38 3i5h n ASP 7 Cb 0.40 -1.50 0.09 0.00 2.34 0.00 0.00 41.12 42.45 3i5h n ASP 7 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 3i5h n PRO 8 N 4.03 -0.16 0.06 -0.67 -0.02 -1.26 -2.81 135.00 134.16 3i5h n PRO 8 Ca 0.17 1.55 -0.15 0.00 -2.02 0.00 0.00 63.50 63.04 3i5h n PRO 8 Cb 0.32 -2.30 -0.10 0.00 -0.02 0.00 0.00 33.50 31.40 3i5h n PRO 8 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3i5h h ASP 9 N 0.00 -1.59 0.00 2.55 3.32 -1.96 -3.04 116.42 115.70 3i5h h ASP 9 Ca 0.41 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.64 3i5h h ASP 9 Cb 0.66 0.60 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3i5h h ASP 9 CO -1.01 -0.51 0.00 0.23 -1.72 0.00 0.00 179.24 176.23 3i5h n MET 10 N -5.34 0.00 0.04 3.56 2.81 -1.12 -3.76 117.12 113.30 3i5h n MET 10 Ca -0.07 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.76 3i5h n MET 10 Cb 0.39 -0.96 0.13 0.00 -0.71 0.00 0.00 33.22 32.07 3i5h n MET 10 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3i5h h GLU 11 N 1.05 0.42 -0.48 0.03 4.81 -1.72 -2.23 114.58 116.46 3i5h h GLU 11 Ca 0.00 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 3i5h h GLU 11 Cb 0.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3i5h h GLU 11 CO 0.00 0.80 0.00 1.19 -0.73 0.00 0.00 179.01 180.27 3i5h n PHE 12 N -3.99 1.13 0.00 0.92 3.01 -1.25 -4.58 117.46 112.71 3i5h n PHE 12 Ca -0.02 -0.66 0.00 0.00 1.01 0.00 0.00 57.45 57.78 3i5h n PHE 12 Cb 0.54 -0.22 0.00 0.00 -0.01 0.00 0.00 39.48 39.79 3i5h n PHE 12 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3i5h n LEU 13 N 0.55 0.38 0.00 4.37 4.77 -1.19 -4.56 117.00 121.32 3i5h n LEU 13 Ca 0.21 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3i5h n LEU 13 Cb 0.79 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 3i5h n LEU 13 CO 0.18 0.06 0.00 0.00 -1.33 0.00 0.00 177.39 176.31 3i5h n LEU 15 N 0.00 0.00 0.00 0.00 7.94 -1.26 -4.88 117.00 118.80 3i5h n LEU 15 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3i5h n LEU 15 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3i5h n LEU 15 CO 0.00 0.00 0.00 0.35 -1.11 0.00 0.00 177.39 176.63 3i5h n THR 16 N 0.00 0.00 -0.13 1.96 -2.24 -1.25 -3.58 114.28 109.05 3i5h n THR 16 Ca 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 3i5h n THR 16 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 3i5h n THR 16 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3i5h n ARG 17 N 0.00 -0.13 -0.30 -0.78 0.63 -1.26 0.34 116.66 115.16 3i5h n ARG 17 Ca 0.00 0.86 0.13 0.00 -0.92 0.00 0.00 57.85 57.91 3i5h n ARG 17 Cb 0.00 -1.27 0.29 0.00 0.45 0.00 0.00 32.46 31.93 3i5h n ARG 17 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3i5h h GLN 18 N 0.00 0.34 0.00 -0.14 4.20 -1.99 0.56 115.11 118.07 3i5h h GLN 18 Ca 0.05 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 3i5h h GLN 18 Cb 0.12 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3i5h h GLN 18 CO -0.28 0.22 -0.50 -0.22 -0.67 0.00 0.00 178.83 177.38 3i5h h LYS 19 N 0.35 0.00 0.08 1.46 3.64 -0.36 -2.74 116.57 118.99 3i5h h LYS 19 Ca 0.55 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.92 3i5h h LYS 19 Cb 1.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 3i5h h LYS 19 CO -0.55 0.50 -0.04 1.25 -2.27 0.00 0.00 179.45 178.34 3i5h h LEU 20 N 0.00 -0.09 -0.91 5.20 5.85 0.38 -1.89 115.31 123.85 3i5h h LEU 20 Ca -0.00 0.00 0.33 0.00 0.84 0.00 0.00 57.88 59.05 3i5h h LEU 20 Cb 0.92 0.02 -0.17 0.00 0.37 0.00 0.00 40.66 41.81 3i5h h LEU 20 CO 0.06 0.08 0.31 0.80 -0.34 0.00 0.00 178.44 179.36 3i5h n MET 21 N -3.06 -0.06 0.08 1.25 1.56 0.85 0.15 117.12 117.89 3i5h n MET 21 Ca -0.01 1.30 -0.13 0.00 -0.27 0.00 0.00 57.70 58.59 3i5h n MET 21 Cb 0.04 -2.23 -0.08 0.00 2.15 0.00 0.00 33.22 33.10 3i5h n MET 21 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 3i5h h GLU 22 N 0.00 -0.18 0.00 2.12 4.81 -1.57 -2.58 114.58 117.18 3i5h h GLU 22 Ca 0.69 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.87 3i5h h GLU 22 Cb 1.71 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 31.12 3i5h h GLU 22 CO -0.76 0.11 -0.28 0.00 -0.73 0.00 0.00 179.01 177.34 3i5h h ALA 23 N 0.34 1.19 0.00 2.92 0.00 0.22 -3.08 119.26 120.85 3i5h h ALA 23 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3i5h h ALA 23 Cb 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3i5h h ALA 23 CO 0.03 0.36 0.00 1.15 0.00 0.00 0.00 179.25 180.79 3i5h h THR 24 N 0.00 0.00 -0.22 0.00 2.02 0.16 -3.34 112.91 111.52 3i5h h THR 24 Ca -0.00 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.66 3i5h h THR 24 Cb 0.65 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 3i5h h THR 24 CO 0.04 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.39 3i5h n SER 25 N -2.35 2.66 -4.36 4.18 3.41 -0.99 -4.00 113.62 112.18 3i5h n SER 25 Ca 0.05 -1.79 -0.35 0.00 -0.26 0.00 0.00 58.87 56.53 3i5h n SER 25 Cb 0.43 -0.14 0.08 0.00 -0.26 0.00 0.00 64.21 64.32 3i5h n SER 25 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3i5h n ILE 26 N 0.81 0.74 -1.58 -1.33 -5.35 -1.25 -4.87 119.36 106.53 3i5h n ILE 26 Ca 0.11 -0.34 -0.45 0.00 -0.27 0.00 0.00 62.75 61.80 3i5h n ILE 26 Cb 0.41 -0.53 -0.02 0.00 -1.74 0.00 0.00 39.64 37.76 3i5h n ILE 26 CO 0.00 0.00 0.00 -2.65 -1.76 0.00 0.00 176.55 172.14 3i5h n PRO 27 N -0.44 1.25 -3.58 6.28 -0.02 -1.26 -4.89 135.00 132.33 3i5h n PRO 27 Ca 0.07 0.44 -0.11 0.00 -2.02 0.00 0.00 63.50 61.88 3i5h n PRO 27 Cb 0.52 -1.80 -0.05 0.00 -0.02 0.00 0.00 33.50 32.14 3i5h n PRO 27 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3i5h s PHE 28 N -0.93 -0.41 -0.35 6.00 5.36 -1.26 -4.99 117.98 121.39 3i5h s PHE 28 Ca 0.61 0.76 0.03 0.00 -0.96 0.00 0.00 56.93 57.37 3i5h s PHE 28 Cb -0.73 0.43 0.15 0.00 -0.34 0.00 0.00 43.02 42.53 3i5h s PHE 28 CO 0.59 -0.35 0.38 0.34 -1.46 0.00 0.00 175.22 174.72 3i5h s ASP 29 N -0.90 1.01 0.00 6.13 2.15 -1.26 -4.99 116.67 118.80 3i5h s ASP 29 Ca -0.02 -1.28 0.00 0.00 0.43 0.00 0.00 52.55 51.68 3i5h s ASP 29 Cb -0.01 0.69 0.00 0.00 -0.30 0.00 0.00 42.92 43.30 3i5h s ASP 29 CO 0.01 -0.28 0.64 0.61 -0.17 0.00 0.00 175.17 175.97 3i5h n GLY 30 N 4.54 -0.20 0.14 2.66 0.00 -1.26 -0.40 105.19 110.66 3i5h n GLY 30 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 3i5h n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i5h h LYS 31 N 0.00 0.00 0.00 1.61 1.57 -2.00 -3.42 116.57 114.33 3i5h h LYS 31 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i5h h LYS 31 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3i5h h LYS 31 CO 0.00 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.51 3i5h n LYS 32 N -2.70 2.77 -2.08 3.15 5.02 0.46 -4.93 118.16 119.85 3i5h n LYS 32 Ca 0.02 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.97 3i5h n LYS 32 Cb 0.53 -0.23 0.01 0.00 -0.02 0.00 0.00 35.03 35.32 3i5h n LYS 32 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3i5h s ASN 33 N 0.00 5.63 -0.12 4.39 -0.87 -0.65 -0.08 114.94 123.24 3i5h s ASN 33 Ca 0.00 1.98 -0.33 0.00 -1.57 0.00 0.00 52.86 52.94 3i5h s ASN 33 Cb 0.00 -2.55 0.13 0.00 -0.02 0.00 0.00 41.25 38.80 3i5h s ASN 33 CO 0.00 -1.27 1.16 0.00 -2.57 0.00 0.00 177.10 174.42 3i5h s TRP 35 N -2.56 3.71 -0.07 0.00 0.23 0.52 0.33 118.94 121.10 3i5h s TRP 35 Ca 0.09 1.15 -0.08 0.00 -2.03 0.00 0.00 56.10 55.24 3i5h s TRP 35 Cb -0.00 -2.51 0.02 0.00 0.03 0.00 0.00 33.47 31.01 3i5h s TRP 35 CO -0.05 0.46 0.21 0.54 0.96 0.00 0.00 176.95 179.07 3i5h s VAL 36 N -0.54 0.01 0.21 4.03 0.11 0.13 0.26 120.40 124.61 3i5h s VAL 36 Ca 0.28 -0.08 -0.32 0.00 -2.93 0.00 0.00 61.98 58.93 3i5h s VAL 36 Cb -0.18 -0.32 -0.13 0.00 -1.53 0.00 0.00 36.38 34.21 3i5h s VAL 36 CO 0.16 -0.04 1.53 -0.81 -3.33 0.00 0.00 175.10 172.61 3i5h n PRO 37 N 2.77 2.25 -3.84 1.54 -0.04 -1.26 0.79 135.00 137.21 3i5h n PRO 37 Ca -0.14 0.81 -0.25 0.00 -0.04 0.00 0.00 63.50 63.88 3i5h n PRO 37 Cb 0.58 -2.54 -0.17 0.00 -0.04 0.00 0.00 33.50 31.33 3i5h n PRO 37 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3i5h s ASP 38 N 0.65 1.95 0.62 3.54 -1.08 1.42 -4.74 116.67 119.03 3i5h s ASP 38 Ca 0.72 -0.22 0.32 0.00 -0.52 0.00 0.00 52.55 52.85 3i5h s ASP 38 Cb -0.62 -0.66 1.72 0.00 -1.46 0.00 0.00 42.92 41.90 3i5h s ASP 38 CO 0.43 -0.16 1.96 -0.65 0.52 0.00 0.00 175.17 177.27 3i5h h PRO 39 N 8.25 0.00 0.00 4.34 0.11 -1.96 0.13 132.00 142.87 3i5h h PRO 39 Ca -0.25 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.54 3i5h h PRO 39 Cb 1.13 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 3i5h h PRO 39 CO 0.34 0.00 -2.19 -0.25 -0.21 0.00 0.00 178.00 175.69 3i5h n ASP 40 N -2.84 2.24 -2.10 -2.05 9.92 -1.26 -4.68 116.55 115.78 3i5h n ASP 40 Ca -0.02 -0.04 -0.25 0.00 -0.53 0.00 0.00 54.79 53.95 3i5h n ASP 40 Cb 0.29 -0.39 0.02 0.00 -0.64 0.00 0.00 41.12 40.40 3i5h n ASP 40 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3i5h n PHE 41 N -3.27 2.86 0.00 1.24 3.01 -1.15 -4.85 117.46 115.30 3i5h n PHE 41 Ca -0.38 -2.37 0.00 0.00 1.01 0.00 0.00 57.45 55.71 3i5h n PHE 41 Cb 0.88 -0.32 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 3i5h n PHE 41 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i5h n GLY 42 N -0.68 0.19 3.28 1.37 0.00 0.46 -4.57 105.19 105.23 3i5h n GLY 42 Ca 0.44 0.70 -0.26 0.00 0.00 0.00 0.00 46.02 46.89 3i5h n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i5h s PHE 43 N 0.00 1.93 0.09 1.61 0.40 -1.26 0.42 117.98 121.17 3i5h s PHE 43 Ca 0.00 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 56.00 3i5h s PHE 43 Cb 0.00 -1.14 -0.03 0.00 0.51 0.00 0.00 43.02 42.36 3i5h s PHE 43 CO 0.00 0.12 -0.13 0.08 0.70 0.00 0.00 175.22 175.98 3i5h s VAL 44 N -0.84 1.15 0.26 -0.44 1.01 0.24 -4.79 120.40 116.99 3i5h s VAL 44 Ca 0.08 -1.51 -0.29 0.00 0.00 0.00 0.00 61.98 60.26 3i5h s VAL 44 Cb -0.09 -1.28 -0.09 0.00 0.00 0.00 0.00 36.38 34.92 3i5h s VAL 44 CO 0.02 -0.35 0.99 -0.83 0.00 0.00 0.00 175.10 174.93 3i5h s GLY 45 N -2.11 3.07 0.19 4.51 0.00 -1.26 0.18 107.32 111.90 3i5h s GLY 45 Ca 0.03 0.69 -0.00 0.00 0.00 0.00 0.00 44.72 45.44 3i5h s GLY 45 CO 0.02 1.26 0.25 0.00 0.00 0.00 0.00 173.10 174.63 3i5h n ALA 46 N 1.29 -0.10 -3.54 3.20 0.00 1.02 -3.33 120.51 119.03 3i5h n ALA 46 Ca -0.01 -0.92 -0.21 0.00 0.00 0.00 0.00 53.44 52.30 3i5h n ALA 46 Cb 0.47 0.74 -0.16 0.00 0.00 0.00 0.00 19.45 20.49 3i5h n ALA 46 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i5h s GLU 47 N -2.48 1.12 0.18 0.00 2.02 0.11 0.16 118.70 119.81 3i5h s GLU 47 Ca 0.17 -0.22 -0.30 0.00 0.02 0.00 0.00 54.97 54.64 3i5h s GLU 47 Cb -0.00 -1.02 -0.08 0.00 0.10 0.00 0.00 34.13 33.13 3i5h s GLU 47 CO 0.12 -0.03 0.97 0.42 0.02 0.00 0.00 175.26 176.76 3i5h s ILE 48 N 0.78 4.21 -0.13 -1.63 1.01 0.89 0.89 121.20 127.22 3i5h s ILE 48 Ca -0.12 2.02 -0.11 0.00 0.00 0.00 0.00 60.65 62.44 3i5h s ILE 48 Cb -0.15 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.00 3i5h s ILE 48 CO 0.01 0.40 -0.21 0.00 0.00 0.00 0.00 174.94 175.15 3i5h n GLN 49 N 2.09 0.39 -4.08 2.79 1.13 -0.55 -4.87 117.38 114.27 3i5h n GLN 49 Ca 0.00 0.32 -0.13 0.00 -1.94 0.00 0.00 57.00 55.25 3i5h n GLN 49 Cb 0.48 -1.36 -0.05 0.00 0.11 0.00 0.00 30.24 29.41 3i5h n GLN 49 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3i5h s SER 50 N -5.38 0.50 0.07 1.08 1.04 -1.23 -5.04 113.70 104.74 3i5h s SER 50 Ca -0.17 -1.30 0.02 0.00 0.48 0.00 0.00 55.95 54.97 3i5h s SER 50 Cb 0.02 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.71 3i5h s SER 50 CO 0.26 -1.18 -0.07 -0.89 0.98 0.00 0.00 173.24 172.33 3i5h s THR 51 N -3.51 0.59 -0.29 2.02 2.01 -1.26 -2.60 115.64 112.60 3i5h s THR 51 Ca 0.29 -1.52 -0.16 0.00 0.31 0.00 0.00 61.69 60.61 3i5h s THR 51 Cb 0.01 -1.16 0.18 0.00 0.01 0.00 0.00 72.50 71.53 3i5h s THR 51 CO 0.16 -0.65 1.11 -0.75 -0.69 0.00 0.00 174.62 173.80 3i5h s LYS 52 N -2.77 0.23 0.40 4.92 2.20 -1.24 -5.05 119.74 118.44 3i5h s LYS 52 Ca 0.01 0.39 0.00 0.00 -0.36 0.00 0.00 55.97 56.01 3i5h s LYS 52 Cb -0.02 0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.35 3i5h s LYS 52 CO -0.03 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.33 3i5h n GLY 53 N 3.39 0.92 2.21 5.54 0.00 -1.26 -1.13 105.19 114.87 3i5h n GLY 53 Ca -0.18 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.07 3i5h n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i5h n ASP 54 N -3.68 6.29 -3.39 1.61 9.92 -1.26 -4.71 116.55 121.34 3i5h n ASP 54 Ca 0.00 -3.05 -0.18 0.00 -0.53 0.00 0.00 54.79 51.03 3i5h n ASP 54 Cb 0.00 -1.20 -0.09 0.00 -0.64 0.00 0.00 41.12 39.19 3i5h n ASP 54 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 3i5h s GLU 55 N -1.37 0.48 0.00 -1.24 2.12 -0.28 -4.25 118.70 114.16 3i5h s GLU 55 Ca 0.49 -0.57 -0.12 0.00 0.36 0.00 0.00 54.97 55.13 3i5h s GLU 55 Cb 0.32 -0.74 -0.05 0.00 0.26 0.00 0.00 34.13 33.91 3i5h s GLU 55 CO -0.12 -1.12 0.37 0.08 -0.54 0.00 0.00 175.26 173.93 3i5h s VAL 56 N 1.83 5.11 -0.01 3.70 1.01 -0.37 -3.59 120.40 128.09 3i5h s VAL 56 Ca 0.13 0.65 -0.00 0.00 0.00 0.00 0.00 61.98 62.76 3i5h s VAL 56 Cb -0.15 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3i5h s VAL 56 CO -0.17 0.51 0.06 0.42 0.00 0.00 0.00 175.10 175.93 3i5h s THR 57 N -1.15 4.63 0.20 3.92 -4.23 -1.07 -0.79 115.64 117.15 3i5h s THR 57 Ca 0.25 -0.42 -0.09 0.00 -1.18 0.00 0.00 61.69 60.24 3i5h s THR 57 Cb -0.15 -3.10 -0.01 0.00 1.34 0.00 0.00 72.50 70.58 3i5h s THR 57 CO 0.13 0.37 0.33 -0.69 -0.54 0.00 0.00 174.62 174.22 3i5h s VAL 58 N -1.16 0.03 -0.10 2.29 1.01 0.13 -1.49 120.40 121.11 3i5h s VAL 58 Ca 0.22 -1.51 0.02 0.00 0.00 0.00 0.00 61.98 60.71 3i5h s VAL 58 Cb -0.12 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.17 3i5h s VAL 58 CO 0.13 -0.12 -0.16 -0.75 0.00 0.00 0.00 175.10 174.19 3i5h s LYS 59 N -4.02 2.30 0.76 2.72 2.20 0.26 -0.65 119.74 123.30 3i5h s LYS 59 Ca 0.23 -0.60 -0.13 0.00 -0.36 0.00 0.00 55.97 55.12 3i5h s LYS 59 Cb 0.03 -1.90 0.18 0.00 -1.51 0.00 0.00 37.83 34.63 3i5h s LYS 59 CO 0.06 -0.01 0.80 0.25 -0.36 0.00 0.00 175.35 176.09 3i5h n THR 60 N 4.03 0.00 -3.14 3.43 -2.24 -0.60 0.10 114.28 115.86 3i5h n THR 60 Ca -0.20 -0.46 -0.19 0.00 -2.27 0.00 0.00 64.05 60.93 3i5h n THR 60 Cb 0.52 -1.36 -0.03 0.00 -2.10 0.00 0.00 70.33 67.35 3i5h n THR 60 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3i5h n ASP 61 N -3.99 0.21 0.00 3.42 5.75 -1.21 -4.09 116.55 116.64 3i5h n ASP 61 Ca 0.11 -2.96 0.00 0.00 -0.01 0.00 0.00 54.79 51.93 3i5h n ASP 61 Cb 0.39 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 3i5h n ASP 61 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 3i5h n LYS 62 N 0.74 0.00 -2.20 0.11 4.81 -1.26 -4.83 118.16 115.53 3i5h n LYS 62 Ca 0.22 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.67 3i5h n LYS 62 Cb 0.62 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.70 3i5h n LYS 62 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3i5h n THR 63 N -0.00 0.62 -0.03 3.15 -2.24 -1.26 -5.06 114.28 109.45 3i5h n THR 63 Ca 0.00 -1.88 -0.00 0.00 -2.27 0.00 0.00 64.05 59.90 3i5h n THR 63 Cb 0.00 1.12 -0.00 0.00 -2.10 0.00 0.00 70.33 69.35 3i5h n THR 63 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i5h n GLN 64 N -0.20 0.00 -4.39 -0.78 10.64 -1.26 -4.82 117.38 116.57 3i5h n GLN 64 Ca 0.03 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.85 3i5h n GLN 64 Cb 0.94 -0.03 -0.10 0.00 -0.86 0.00 0.00 30.24 30.19 3i5h n GLN 64 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 3i5h s GLU 65 N 0.16 3.09 -0.34 2.61 2.56 -1.26 -4.77 118.70 120.75 3i5h s GLU 65 Ca 0.00 -0.44 -0.21 0.00 0.00 0.00 0.00 54.97 54.33 3i5h s GLU 65 Cb -0.00 -2.80 -0.00 0.00 2.00 0.00 0.00 34.13 33.32 3i5h s GLU 65 CO 0.00 0.62 0.68 0.99 -0.56 0.00 0.00 175.26 176.99 3i5h s THR 66 N -0.65 4.87 0.25 -1.70 2.01 -1.26 -1.55 115.64 117.60 3i5h s THR 66 Ca 0.10 0.79 0.10 0.00 0.31 0.00 0.00 61.69 63.00 3i5h s THR 66 Cb -0.12 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 3i5h s THR 66 CO 0.02 -0.27 -0.09 -0.13 -0.69 0.00 0.00 174.62 173.46 3i5h s ARG 67 N 2.77 2.04 -0.62 4.92 0.52 0.17 -4.93 118.95 123.82 3i5h s ARG 67 Ca 0.27 -1.48 -0.02 0.00 -0.52 0.00 0.00 55.73 53.98 3i5h s ARG 67 Cb -0.14 -2.04 0.16 0.00 0.52 0.00 0.00 34.95 33.44 3i5h s ARG 67 CO 0.14 0.37 0.42 0.08 0.02 0.00 0.00 175.30 176.34 3i5h s VAL 68 N -2.19 3.59 0.42 3.52 1.01 -1.26 0.21 120.40 125.69 3i5h s VAL 68 Ca 0.29 -3.02 0.01 0.00 0.00 0.00 0.00 61.98 59.26 3i5h s VAL 68 Cb -0.07 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 3i5h s VAL 68 CO 0.17 -0.87 0.62 -0.69 0.00 0.00 0.00 175.10 174.33 3i5h s VAL 69 N -0.12 4.18 0.37 2.92 1.01 0.03 -4.91 120.40 123.88 3i5h s VAL 69 Ca 0.17 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 3i5h s VAL 69 Cb -0.21 -3.53 0.08 0.00 0.00 0.00 0.00 36.38 32.73 3i5h s VAL 69 CO -0.03 -0.34 0.50 0.29 0.00 0.00 0.00 175.10 175.52 3i5h n LYS 70 N -1.97 -0.22 -0.00 2.72 5.02 -1.26 -1.24 118.16 121.21 3i5h n LYS 70 Ca 0.00 -0.96 -0.18 0.00 -2.02 0.00 0.00 58.31 55.15 3i5h n LYS 70 Cb 0.57 -0.46 -0.14 0.00 -0.02 0.00 0.00 35.03 34.99 3i5h n LYS 70 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3i5h h LYS 71 N 0.00 0.18 -1.43 1.97 1.57 -1.93 -3.29 116.57 113.63 3i5h h LYS 71 Ca -0.16 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.30 3i5h h LYS 71 Cb 0.50 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 3i5h h LYS 71 CO 0.13 1.14 0.02 -3.47 -0.57 0.00 0.00 179.45 176.71 3i5h n ASP 72 N -4.29 4.08 0.00 0.86 -0.08 -1.26 -2.32 116.55 113.54 3i5h n ASP 72 Ca -0.15 -2.23 0.00 0.00 -1.51 0.00 0.00 54.79 50.91 3i5h n ASP 72 Cb 0.70 -0.78 0.00 0.00 2.34 0.00 0.00 41.12 43.38 3i5h n ASP 72 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3i5h n ASP 73 N 0.88 0.15 -4.50 1.67 8.00 -1.24 -4.99 116.55 116.53 3i5h n ASP 73 Ca 0.02 -0.56 -0.43 0.00 0.71 0.00 0.00 54.79 54.53 3i5h n ASP 73 Cb 0.52 0.16 -0.04 0.00 -0.02 0.00 0.00 41.12 41.74 3i5h n ASP 73 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3i5h s ILE 74 N -0.16 4.41 -0.20 0.53 -4.36 -0.98 -4.28 121.20 116.15 3i5h s ILE 74 Ca 0.00 0.04 -0.23 0.00 -0.26 0.00 0.00 60.65 60.20 3i5h s ILE 74 Cb 0.00 -4.56 -0.02 0.00 1.25 0.00 0.00 42.46 39.13 3i5h s ILE 74 CO 0.00 -1.19 0.72 -0.83 0.24 0.00 0.00 174.94 173.88 3i5h s GLY 75 N 3.07 1.99 -0.17 6.27 0.00 0.14 -4.91 107.32 113.70 3i5h s GLY 75 Ca 0.27 -0.18 -0.29 0.00 0.00 0.00 0.00 44.72 44.51 3i5h s GLY 75 CO 0.16 1.51 1.68 1.20 0.00 0.00 0.00 173.10 177.65 3i5h s GLN 76 N 2.20 3.86 0.42 2.90 -0.21 -1.26 0.19 119.66 127.76 3i5h s GLN 76 Ca 0.32 1.86 -0.20 0.00 0.02 0.00 0.00 55.36 57.36 3i5h s GLN 76 Cb -0.16 -4.05 -0.11 0.00 1.00 0.00 0.00 33.01 29.70 3i5h s GLN 76 CO 0.10 -1.22 0.92 0.50 -2.12 0.00 0.00 175.29 173.47 3i5h s ARG 77 N 4.61 4.19 0.17 2.91 3.52 -1.26 -4.78 118.95 128.30 3i5h s ARG 77 Ca 0.74 1.05 -0.30 0.00 -0.13 0.00 0.00 55.73 57.09 3i5h s ARG 77 Cb -0.28 -2.22 -0.07 0.00 -1.56 0.00 0.00 34.95 30.82 3i5h s ARG 77 CO 0.30 -0.01 1.05 -0.80 -0.81 0.00 0.00 175.30 175.03 3i5h s ASN 78 N -2.22 7.36 0.70 -2.12 -0.87 -1.26 -4.98 114.94 111.56 3i5h s ASN 78 Ca 0.61 2.01 -0.16 0.00 -1.57 0.00 0.00 52.86 53.75 3i5h s ASN 78 Cb -0.09 -2.60 0.02 0.00 -0.02 0.00 0.00 41.25 38.56 3i5h s ASN 78 CO 0.14 -0.15 1.23 -2.16 -2.57 0.00 0.00 177.10 173.59 3i5h s PRO 79 N -0.38 2.27 0.19 -0.60 0.04 -1.26 -4.85 135.00 130.40 3i5h s PRO 79 Ca 0.48 1.85 -0.09 0.00 0.04 0.00 0.00 61.00 63.28 3i5h s PRO 79 Cb -0.28 -1.84 0.27 0.00 0.04 0.00 0.00 34.50 32.70 3i5h s PRO 79 CO 0.34 -1.76 1.14 -2.30 0.04 0.00 0.00 177.00 174.46 3i5h n PRO 80 N -2.46 -0.11 0.17 0.56 -0.02 -1.26 -1.81 135.00 130.06 3i5h n PRO 80 Ca 0.14 1.14 0.02 0.00 -2.02 0.00 0.00 63.50 62.78 3i5h n PRO 80 Cb 0.50 -1.70 0.11 0.00 -0.02 0.00 0.00 33.50 32.39 3i5h n PRO 80 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3i5h h LYS 81 N 0.00 0.00 -0.02 -0.52 3.64 -1.91 1.47 116.57 119.24 3i5h h LYS 81 Ca 0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3i5h h LYS 81 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3i5h h LYS 81 CO -0.74 0.00 -0.31 1.19 -2.27 0.00 0.00 179.45 177.31 3i5h n PHE 82 N -1.85 0.00 -1.18 1.91 3.01 -0.75 -4.86 117.46 113.73 3i5h n PHE 82 Ca -0.00 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.12 3i5h n PHE 82 Cb 0.62 0.00 0.12 0.00 -0.01 0.00 0.00 39.48 40.21 3i5h n PHE 82 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3i5h s GLU 83 N -2.23 1.75 -0.55 -1.08 0.41 0.50 -0.97 118.70 116.54 3i5h s GLU 83 Ca 0.20 1.73 0.00 0.00 -0.41 0.00 0.00 54.97 56.49 3i5h s GLU 83 Cb 0.18 -1.79 0.00 0.00 -1.78 0.00 0.00 34.13 30.74 3i5h s GLU 83 CO 0.46 -2.12 0.00 -1.33 -0.49 0.00 0.00 175.26 171.78 3i5h n MET 84 N -3.20 -1.25 -1.51 1.61 2.81 -1.26 -4.78 117.12 109.54 3i5h n MET 84 Ca 0.13 0.33 -0.42 0.00 -1.81 0.00 0.00 57.70 55.93 3i5h n MET 84 Cb 0.51 -4.29 0.01 0.00 -0.71 0.00 0.00 33.22 28.73 3i5h n MET 84 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3i5h n ASN 85 N 0.53 -0.08 0.04 7.83 4.05 -0.14 -4.91 115.26 122.59 3i5h n ASN 85 Ca -0.05 0.97 -0.13 0.00 0.45 0.00 0.00 54.58 55.81 3i5h n ASN 85 Cb 0.19 -1.20 -0.14 0.00 1.23 0.00 0.00 39.78 39.87 3i5h n ASN 85 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 177.26 174.45 3i5h h MET 86 N 1.08 0.15 -3.96 1.20 2.86 -1.88 -3.43 114.93 110.95 3i5h h MET 86 Ca -0.41 -0.25 -0.59 0.00 -2.06 0.00 0.00 59.70 56.39 3i5h h MET 86 Cb 1.38 0.09 -0.39 0.00 0.06 0.00 0.00 31.60 32.74 3i5h h MET 86 CO 0.54 0.96 -0.76 0.34 1.06 0.00 0.00 176.91 179.05 3i5h s ASP 87 N -6.74 3.87 0.66 1.22 -1.08 -1.25 -2.27 116.67 111.08 3i5h s ASP 87 Ca -0.06 -1.42 0.21 0.00 -0.52 0.00 0.00 52.55 50.76 3i5h s ASP 87 Cb 0.08 -1.02 1.13 0.00 -1.46 0.00 0.00 42.92 41.65 3i5h s ASP 87 CO 0.84 -0.33 1.63 0.24 0.52 0.00 0.00 175.17 178.07 3i5h h MET 88 N 8.01 0.00 -0.36 4.34 2.86 0.01 0.87 114.93 130.67 3i5h h MET 88 Ca -0.14 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.60 3i5h h MET 88 Cb 1.05 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.70 3i5h h MET 88 CO 0.44 0.00 0.33 0.00 1.06 0.00 0.00 176.91 178.74 3i5h h ALA 89 N 0.93 2.11 0.00 6.32 0.00 -1.89 -0.30 119.26 126.42 3i5h h ALA 89 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3i5h h ALA 89 Cb 1.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3i5h h ALA 89 CO -0.00 -0.52 -0.42 -0.91 0.00 0.00 0.00 179.25 177.41 3i5h h ASN 90 N 0.00 0.00 -3.34 0.00 2.35 0.46 -3.40 115.58 111.65 3i5h h ASN 90 Ca 0.17 -0.11 -0.57 0.00 -0.55 0.00 0.00 56.30 55.24 3i5h h ASN 90 Cb 0.84 0.00 0.17 0.00 0.05 0.00 0.00 38.32 39.37 3i5h h ASN 90 CO -0.00 0.05 -0.06 0.18 -1.65 0.00 0.00 177.43 175.95 3i5h n LEU 91 N -2.32 2.61 0.03 1.61 4.77 -0.13 -4.86 117.00 118.71 3i5h n LEU 91 Ca 0.04 0.79 0.11 0.00 -0.03 0.00 0.00 56.01 56.91 3i5h n LEU 91 Cb 0.46 -1.31 -0.07 0.00 -2.33 0.00 0.00 43.42 40.17 3i5h n LEU 91 CO 0.35 -2.29 -0.30 1.07 -1.33 0.00 0.00 177.39 174.89 3i5h n THR 92 N -1.69 0.19 -3.97 -5.08 5.66 -1.26 -4.60 114.28 103.52 3i5h n THR 92 Ca 0.13 -0.39 -0.32 0.00 -3.05 0.00 0.00 64.05 60.42 3i5h n THR 92 Cb 0.47 0.07 -0.14 0.00 -1.55 0.00 0.00 70.33 69.18 3i5h n THR 92 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 3i5h s PHE 93 N -3.34 3.64 -0.79 1.09 2.99 -1.26 0.51 117.98 120.82 3i5h s PHE 93 Ca -0.01 -2.74 -0.03 0.00 0.00 0.00 0.00 56.93 54.15 3i5h s PHE 93 Cb 0.13 -2.82 0.23 0.00 0.00 0.00 0.00 43.02 40.57 3i5h s PHE 93 CO 0.85 -0.94 2.27 1.28 -0.00 0.00 0.00 175.22 178.68 3i5h n LEU 94 N 4.36 7.22 -4.96 -0.37 4.77 -1.26 -4.77 117.00 122.00 3i5h n LEU 94 Ca -0.00 -4.67 -0.23 0.00 -0.03 0.00 0.00 56.01 51.08 3i5h n LEU 94 Cb 0.42 -1.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 3i5h n LEU 94 CO 0.24 1.82 0.22 0.54 -1.33 0.00 0.00 177.39 178.88 3i5h s ASN 95 N -0.53 5.98 0.10 -1.43 2.20 -1.26 -4.90 114.94 115.10 3i5h s ASN 95 Ca 0.53 0.26 -0.28 0.00 -0.94 0.00 0.00 52.86 52.43 3i5h s ASN 95 Cb 0.37 -1.63 -0.10 0.00 -2.00 0.00 0.00 41.25 37.89 3i5h s ASN 95 CO -0.29 -0.55 1.46 -0.08 -2.94 0.00 0.00 177.10 174.70 3i5h h GLU 96 N 0.57 -0.42 -0.91 3.55 4.81 -1.99 0.20 114.58 120.39 3i5h h GLU 96 Ca -0.47 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 58.88 3i5h h GLU 96 Cb 1.24 0.10 -0.12 0.00 0.63 0.00 0.00 28.75 30.60 3i5h h GLU 96 CO 0.58 -0.28 -0.50 0.00 -0.73 0.00 0.00 179.01 178.07 3i5h n ALA 97 N -2.96 -0.49 -0.36 2.92 0.00 -1.26 0.50 120.51 118.86 3i5h n ALA 97 Ca -0.04 0.80 0.03 0.00 0.00 0.00 0.00 53.44 54.22 3i5h n ALA 97 Cb 0.30 -0.18 0.18 0.00 0.00 0.00 0.00 19.45 19.75 3i5h n ALA 97 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3i5h h SER 98 N 0.00 0.99 0.35 0.00 0.02 -1.65 -0.71 113.55 112.55 3i5h h SER 98 Ca 0.18 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 3i5h h SER 98 Cb 0.41 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 3i5h h SER 98 CO -0.87 0.62 -0.27 0.40 -1.14 0.00 0.00 176.83 175.57 3i5h h ILE 99 N 1.12 1.07 0.02 3.27 1.08 0.21 -2.45 117.51 121.82 3i5h h ILE 99 Ca 0.43 -0.97 -0.00 0.00 -0.39 0.00 0.00 64.86 63.93 3i5h h ILE 99 Cb 0.21 1.54 0.00 0.00 -3.07 0.00 0.00 36.82 35.50 3i5h h ILE 99 CO -0.19 0.27 -0.01 0.25 -0.69 0.00 0.00 178.15 177.78 3i5h h LEU 100 N 0.00 -0.02 0.00 1.44 5.85 0.34 -3.16 115.31 119.76 3i5h h LEU 100 Ca -0.00 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.36 3i5h h LEU 100 Cb 0.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3i5h h LEU 100 CO 0.04 0.35 0.00 1.57 -0.34 0.00 0.00 178.44 180.06 3i5h n HIS 101 N -4.92 0.00 -0.46 1.25 -0.00 -0.72 -0.10 115.22 110.26 3i5h n HIS 101 Ca -0.08 0.00 0.40 0.00 0.46 0.00 0.00 57.72 58.50 3i5h n HIS 101 Cb 0.20 -0.28 0.67 0.00 -0.12 0.00 0.00 29.99 30.46 3i5h n HIS 101 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 3i5h n ASN 102 N -1.75 0.22 -0.02 0.26 4.05 -1.02 0.04 115.26 117.05 3i5h n ASN 102 Ca 0.00 1.40 -0.10 0.00 0.45 0.00 0.00 54.58 56.33 3i5h n ASN 102 Cb 0.00 -0.69 -0.08 0.00 1.23 0.00 0.00 39.78 40.24 3i5h n ASN 102 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 3i5h h LEU 103 N 0.00 -0.07 0.00 1.20 3.38 -1.40 -3.07 115.31 115.35 3i5h h LEU 103 Ca 0.88 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3i5h h LEU 103 Cb 2.81 0.02 0.00 0.00 0.09 0.00 0.00 40.66 43.57 3i5h h LEU 103 CO -0.48 0.64 0.00 -1.14 0.09 0.00 0.00 178.44 177.55 3i5h n ARG 104 N -4.77 0.00 -0.29 1.13 0.63 0.11 -0.70 116.66 112.77 3i5h n ARG 104 Ca -0.07 0.52 0.16 0.00 -0.92 0.00 0.00 57.85 57.55 3i5h n ARG 104 Cb 0.29 -1.38 0.31 0.00 0.45 0.00 0.00 32.46 32.13 3i5h n ARG 104 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3i5h n SER 105 N -1.90 -0.00 -0.02 6.15 3.41 0.16 0.21 113.62 121.63 3i5h n SER 105 Ca 0.00 1.44 -0.05 0.00 -0.26 0.00 0.00 58.87 60.00 3i5h n SER 105 Cb 0.00 -0.57 0.15 0.00 -0.26 0.00 0.00 64.21 63.54 3i5h n SER 105 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3i5h h ARG 106 N 0.00 0.59 -0.24 4.33 3.08 -1.35 -1.46 114.38 119.33 3i5h h ARG 106 Ca 0.57 -0.23 -0.15 0.00 0.07 0.00 0.00 59.98 60.23 3i5h h ARG 106 Cb 1.27 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 3i5h h ARG 106 CO -0.77 0.79 -0.48 -0.92 -1.07 0.00 0.00 179.97 177.53 3i5h h TYR 107 N 0.52 0.80 0.00 3.04 3.20 0.48 0.80 116.97 125.80 3i5h h TYR 107 Ca 0.07 -0.26 0.00 0.00 3.14 0.00 0.00 58.73 61.68 3i5h h TYR 107 Cb 0.71 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.82 3i5h h TYR 107 CO 0.03 1.00 0.00 0.39 -1.64 0.00 0.00 178.16 177.94 3i5h n GLU 108 N -4.00 0.83 -0.17 1.82 1.02 0.11 -1.50 120.64 118.75 3i5h n GLU 108 Ca -0.03 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.21 3i5h n GLU 108 Cb 0.57 -1.39 0.17 0.00 -0.02 0.00 0.00 31.44 30.77 3i5h n GLU 108 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3i5h n SER 109 N -0.89 2.76 0.00 1.62 7.64 -0.59 -4.95 113.62 119.21 3i5h n SER 109 Ca 0.16 -3.04 0.00 0.00 1.01 0.00 0.00 58.87 56.99 3i5h n SER 109 Cb 0.07 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 3i5h n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i5h n GLY 110 N -1.16 2.02 3.70 0.23 0.00 -0.56 -5.02 105.19 104.41 3i5h n GLY 110 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3i5h n GLY 110 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i5h s PHE 111 N -3.27 3.46 -0.26 1.61 0.40 0.27 -4.91 117.98 115.29 3i5h s PHE 111 Ca 0.00 0.81 -0.05 0.00 -0.60 0.00 0.00 56.93 57.09 3i5h s PHE 111 Cb 0.00 -2.57 -0.16 0.00 0.51 0.00 0.00 43.02 40.80 3i5h s PHE 111 CO 0.00 0.08 -0.22 0.44 0.70 0.00 0.00 175.22 176.22 3i5h n ILE 112 N 3.97 1.53 -2.50 0.64 -5.35 -1.26 -1.96 119.36 114.42 3i5h n ILE 112 Ca -0.07 -0.49 -0.42 0.00 -0.27 0.00 0.00 62.75 61.50 3i5h n ILE 112 Cb 0.51 -1.63 -0.03 0.00 -1.74 0.00 0.00 39.64 36.75 3i5h n ILE 112 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 3i5h s TYR 113 N -2.51 3.48 -0.18 4.28 4.12 -1.26 -2.59 117.35 122.69 3i5h s TYR 113 Ca -0.35 1.40 -0.13 0.00 0.02 0.00 0.00 57.07 58.01 3i5h s TYR 113 Cb 0.11 -3.34 0.05 0.00 -1.52 0.00 0.00 41.96 37.26 3i5h s TYR 113 CO 0.57 -0.93 0.45 0.99 0.02 0.00 0.00 175.55 176.65 3i5h s THR 114 N 1.15 -0.01 0.01 -0.71 2.01 -0.64 -4.76 115.64 112.68 3i5h s THR 114 Ca 0.57 0.04 -0.07 0.00 0.31 0.00 0.00 61.69 62.53 3i5h s THR 114 Cb -0.27 -0.64 -0.05 0.00 0.01 0.00 0.00 72.50 71.55 3i5h s THR 114 CO 0.28 0.02 0.28 -0.31 -0.69 0.00 0.00 174.62 174.20 3i5h s TYR 115 N 0.77 3.59 -0.45 4.92 1.51 -0.96 0.78 117.35 127.51 3i5h s TYR 115 Ca -0.04 0.61 0.05 0.00 -1.01 0.00 0.00 57.07 56.68 3i5h s TYR 115 Cb -0.05 -2.02 0.19 0.00 -0.11 0.00 0.00 41.96 39.97 3i5h s TYR 115 CO -0.06 0.61 0.51 0.45 -1.11 0.00 0.00 175.55 175.95 3i5h n SER 116 N 1.17 -1.53 0.00 2.29 2.88 -0.78 0.72 113.62 118.37 3i5h n SER 116 Ca -0.11 -2.62 0.00 0.00 -1.33 0.00 0.00 58.87 54.81 3i5h n SER 116 Cb 0.53 0.31 0.00 0.00 -0.75 0.00 0.00 64.21 64.30 3i5h n SER 116 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i5h n GLY 117 N 2.70 -0.16 0.28 0.46 0.00 -1.26 -2.92 105.19 104.29 3i5h n GLY 117 Ca 0.24 -1.30 0.19 0.00 0.00 0.00 0.00 46.02 45.15 3i5h n GLY 117 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i5h h LEU 118 N 0.00 0.00 -9.95 0.99 3.38 -1.98 -3.44 115.31 104.32 3i5h h LEU 118 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 3i5h h LEU 118 Cb 0.00 0.00 0.08 0.00 0.09 0.00 0.00 40.66 40.83 3i5h h LEU 118 CO 0.00 0.00 0.58 -0.36 0.09 0.00 0.00 178.44 178.75 3i5h s PHE 119 N -3.88 2.88 -0.50 1.13 2.99 -1.15 -4.56 117.98 114.90 3i5h s PHE 119 Ca -0.03 1.45 0.04 0.00 0.00 0.00 0.00 56.93 58.39 3i5h s PHE 119 Cb 0.11 -3.59 0.13 0.00 0.00 0.00 0.00 43.02 39.66 3i5h s PHE 119 CO 0.38 -1.89 0.24 0.00 -0.00 0.00 0.00 175.22 173.96 3i5h s ILE 121 N -0.13 3.63 -0.14 0.00 1.01 0.23 -2.30 121.20 123.49 3i5h s ILE 121 Ca 0.16 0.94 -0.07 0.00 0.00 0.00 0.00 60.65 61.69 3i5h s ILE 121 Cb -0.25 -3.38 0.06 0.00 0.01 0.00 0.00 42.46 38.90 3i5h s ILE 121 CO -0.01 -0.29 0.33 0.00 0.00 0.00 0.00 174.94 174.97 3i5h s ALA 122 N -2.07 -0.81 0.04 9.38 0.00 0.21 -1.63 121.76 126.89 3i5h s ALA 122 Ca 0.68 1.25 0.03 0.00 0.00 0.00 0.00 51.96 53.91 3i5h s ALA 122 Cb -0.18 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 3i5h s ALA 122 CO 0.26 -0.37 0.01 0.42 0.00 0.00 0.00 175.76 176.09 3i5h s ILE 123 N 1.69 4.18 0.00 0.00 1.01 -1.07 -0.54 121.20 126.47 3i5h s ILE 123 Ca -0.07 -0.76 -0.30 0.00 0.00 0.00 0.00 60.65 59.52 3i5h s ILE 123 Cb -0.10 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 3i5h s ILE 123 CO -0.11 0.25 1.14 0.21 0.00 0.00 0.00 174.94 176.43 3i5h s ASN 124 N -1.96 7.14 0.28 3.58 3.84 -0.89 -4.81 114.94 122.12 3i5h s ASN 124 Ca 0.23 1.85 0.18 0.00 0.21 0.00 0.00 52.86 55.33 3i5h s ASN 124 Cb -0.12 -2.57 0.10 0.00 -0.55 0.00 0.00 41.25 38.11 3i5h s ASN 124 CO 0.15 -0.47 1.37 1.55 -2.79 0.00 0.00 177.10 176.92 3i5h h PRO 125 N 7.04 0.00 -5.51 0.43 0.13 -1.95 -3.43 132.00 128.72 3i5h h PRO 125 Ca -0.38 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.46 3i5h h PRO 125 Cb 1.19 0.00 0.18 0.00 0.13 0.00 0.00 31.00 32.50 3i5h h PRO 125 CO 0.83 0.32 -0.80 0.66 -0.23 0.00 0.00 178.00 178.77 3i5h n TYR 126 N -3.11 -2.28 0.00 1.56 4.02 -1.26 -4.12 117.16 111.97 3i5h n TYR 126 Ca 0.01 0.89 0.00 0.00 -0.01 0.00 0.00 57.90 58.79 3i5h n TYR 126 Cb 0.69 -4.61 0.00 0.00 -0.02 0.00 0.00 39.34 35.40 3i5h n TYR 126 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 3i5h n ARG 127 N -3.67 0.00 -2.11 -0.72 1.85 -1.26 -4.40 116.66 106.35 3i5h n ARG 127 Ca -0.19 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.26 3i5h n ARG 127 Cb 0.64 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 32.03 3i5h n ARG 127 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3i5h s ARG 128 N -1.27 4.34 0.16 2.89 0.52 -1.26 -5.02 118.95 119.31 3i5h s ARG 128 Ca 0.00 2.21 0.07 0.00 -0.52 0.00 0.00 55.73 57.50 3i5h s ARG 128 Cb 0.00 -3.10 -0.04 0.00 0.52 0.00 0.00 34.95 32.33 3i5h s ARG 128 CO 0.00 -0.25 -0.15 -0.51 0.02 0.00 0.00 175.30 174.41 3i5h s LEU 129 N -1.22 2.46 0.10 2.53 1.43 -1.26 -5.07 118.68 117.65 3i5h s LEU 129 Ca 0.52 -0.90 -0.34 0.00 -1.03 0.00 0.00 54.13 52.39 3i5h s LEU 129 Cb -0.40 -0.67 -0.14 0.00 0.03 0.00 0.00 46.19 45.01 3i5h s LEU 129 CO 0.49 -0.12 1.57 1.55 0.23 0.00 0.00 176.35 180.06 3i5h h PRO 130 N 3.13 -0.78 0.00 1.29 0.13 -1.95 -3.40 132.00 130.43 3i5h h PRO 130 Ca -0.40 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3i5h h PRO 130 Cb 1.21 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.51 3i5h h PRO 130 CO 0.54 -0.52 0.00 -0.89 -0.23 0.00 0.00 178.00 176.91 3i5h n ILE 131 N -5.51 0.00 -2.18 -3.56 5.41 -1.26 -3.79 119.36 108.48 3i5h n ILE 131 Ca -0.09 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.35 3i5h n ILE 131 Cb 0.42 0.00 0.02 0.00 -0.71 0.00 0.00 39.64 39.37 3i5h n ILE 131 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 3i5h n TYR 132 N 0.00 3.20 -2.83 1.39 4.02 -1.26 -4.96 117.16 116.72 3i5h n TYR 132 Ca 0.00 -2.77 -0.39 0.00 -0.01 0.00 0.00 57.90 54.73 3i5h n TYR 132 Cb 0.00 -0.52 -0.06 0.00 -0.02 0.00 0.00 39.34 38.73 3i5h n TYR 132 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3i5h s THR 133 N -5.24 4.20 -1.63 -0.72 2.01 -1.25 -4.92 115.64 108.10 3i5h s THR 133 Ca 0.51 1.88 0.13 0.00 0.31 0.00 0.00 61.69 64.52 3i5h s THR 133 Cb 0.42 -4.17 0.27 0.00 0.01 0.00 0.00 72.50 69.03 3i5h s THR 133 CO -0.21 0.38 1.28 0.00 -0.69 0.00 0.00 174.62 175.38 3i5h n GLN 134 N 1.19 0.26 -0.03 4.92 6.02 -1.26 -0.14 117.38 128.34 3i5h n GLN 134 Ca -0.02 0.11 -0.22 0.00 -0.01 0.00 0.00 57.00 56.87 3i5h n GLN 134 Cb 0.48 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 30.11 3i5h n GLN 134 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3i5h h GLY 135 N 2.06 0.19 1.00 1.08 0.00 -2.01 -3.35 103.07 102.05 3i5h h GLY 135 Ca 0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 3i5h h GLY 135 CO 0.00 0.43 0.31 1.41 0.00 0.00 0.00 176.54 178.69 3i5h h LEU 136 N -0.39 0.80 -0.78 3.11 3.38 -1.08 -2.99 115.31 117.36 3i5h h LEU 136 Ca -0.37 -0.12 0.16 0.00 0.09 0.00 0.00 57.88 57.63 3i5h h LEU 136 Cb 1.72 -0.21 -0.15 0.00 0.09 0.00 0.00 40.66 42.11 3i5h h LEU 136 CO -0.02 0.70 -0.20 0.58 0.09 0.00 0.00 178.44 179.59 3i5h h VAL 137 N 0.85 0.21 -0.48 1.22 2.07 -0.69 1.23 116.25 120.66 3i5h h VAL 137 Ca 0.21 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.71 3i5h h VAL 137 Cb 0.10 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 3i5h h VAL 137 CO -0.03 0.00 0.20 0.44 0.02 0.00 0.00 177.57 178.20 3i5h h ASP 138 N -0.00 0.61 -0.75 0.57 3.32 -1.65 0.53 116.42 119.04 3i5h h ASP 138 Ca 0.37 -0.06 0.07 0.00 0.02 0.00 0.00 57.03 57.43 3i5h h ASP 138 Cb 0.57 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.90 3i5h h ASP 138 CO -0.81 0.55 0.43 0.11 -1.72 0.00 0.00 179.24 177.80 3i5h h LYS 139 N 0.67 0.74 -0.02 3.56 1.57 0.15 -0.35 116.57 122.90 3i5h h LYS 139 Ca 0.16 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3i5h h LYS 139 Cb 0.12 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3i5h h LYS 139 CO -0.02 0.49 -0.04 0.66 -0.57 0.00 0.00 179.45 179.97 3i5h n TYR 140 N -4.75 0.00 -0.01 -1.35 4.02 -0.34 -4.73 117.16 110.00 3i5h n TYR 140 Ca 0.11 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 58.00 3i5h n TYR 140 Cb 0.21 -0.01 -0.00 0.00 -0.02 0.00 0.00 39.34 39.52 3i5h n TYR 140 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 3i5h n ARG 141 N 0.52 -0.01 -0.06 -0.72 3.00 0.17 -3.34 116.66 116.23 3i5h n ARG 141 Ca 0.16 0.68 0.07 0.00 -0.00 0.00 0.00 57.85 58.76 3i5h n ARG 141 Cb 0.44 -1.01 0.09 0.00 0.00 0.00 0.00 32.46 31.99 3i5h n ARG 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i5h n GLY 142 N -1.01 4.18 3.72 5.14 0.00 -1.26 -4.89 105.19 111.08 3i5h n GLY 142 Ca 0.00 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 3i5h n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i5h s LYS 143 N -2.24 4.53 0.57 1.61 1.02 -1.21 -5.03 119.74 118.98 3i5h s LYS 143 Ca 0.22 1.68 -0.19 0.00 0.02 0.00 0.00 55.97 57.69 3i5h s LYS 143 Cb 0.19 -3.34 -0.05 0.00 -0.52 0.00 0.00 37.83 34.12 3i5h s LYS 143 CO 0.02 -0.07 1.19 -0.98 -0.92 0.00 0.00 175.35 174.59 3i5h s ARG 144 N 0.42 3.16 0.11 1.68 1.70 -1.26 -4.80 118.95 119.95 3i5h s ARG 144 Ca 0.53 1.77 -0.21 0.00 -0.47 0.00 0.00 55.73 57.36 3i5h s ARG 144 Cb -0.28 -2.00 -0.05 0.00 -0.57 0.00 0.00 34.95 32.05 3i5h s ARG 144 CO 0.31 -1.04 1.22 -2.13 -1.08 0.00 0.00 175.30 172.58 3i5h n ARG 145 N -1.39 -0.29 -0.54 3.89 0.63 -1.26 -0.71 116.66 116.98 3i5h n ARG 145 Ca 0.12 1.20 0.46 0.00 -0.92 0.00 0.00 57.85 58.71 3i5h n ARG 145 Cb 0.50 -1.76 0.78 0.00 0.45 0.00 0.00 32.46 32.42 3i5h n ARG 145 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i5h h ALA 146 N 0.14 3.55 -0.08 5.13 0.00 -1.94 -1.92 119.26 124.14 3i5h h ALA 146 Ca 0.11 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3i5h h ALA 146 Cb 0.27 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3i5h h ALA 146 CO -0.63 -2.05 -0.32 0.93 0.00 0.00 0.00 179.25 177.19 3i5h h GLU 147 N 0.00 0.15 -6.20 0.00 5.08 -1.26 -3.45 114.58 108.90 3i5h h GLU 147 Ca 0.78 -0.06 -0.59 0.00 -1.00 0.00 0.00 59.36 58.49 3i5h h GLU 147 Cb 3.18 -0.01 -0.13 0.00 0.50 0.00 0.00 28.75 32.30 3i5h h GLU 147 CO -0.01 0.46 -0.72 -1.64 -1.00 0.00 0.00 179.01 176.10 3i5h s MET 148 N -4.33 1.87 0.00 2.33 -1.94 -0.72 -4.57 119.30 111.93 3i5h s MET 148 Ca -0.04 -1.67 0.00 0.00 -1.71 0.00 0.00 55.69 52.27 3i5h s MET 148 Cb 0.14 -1.89 0.00 0.00 2.01 0.00 0.00 34.83 35.10 3i5h s MET 148 CO 0.74 0.34 0.00 -0.35 -0.01 0.00 0.00 175.02 175.74 3i5h n PRO 149 N -0.71 0.03 0.00 2.03 -0.04 -1.26 -4.88 135.00 130.17 3i5h n PRO 149 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 3i5h n PRO 149 Cb 0.60 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.06 3i5h n PRO 149 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3i5h n PRO 150 N -0.67 0.00 -0.58 0.54 -0.02 -1.26 -4.99 135.00 128.02 3i5h n PRO 150 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3i5h n PRO 150 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3i5h n PRO 150 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3i5h n HIS 151 N 0.00 -1.59 0.23 6.00 -0.00 -1.26 -4.61 115.22 113.99 3i5h n HIS 151 Ca 0.00 0.84 0.09 0.00 0.46 0.00 0.00 57.72 59.12 3i5h n HIS 151 Cb 0.00 -1.93 0.53 0.00 -0.12 0.00 0.00 29.99 28.47 3i5h n HIS 151 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 3i5h h LEU 152 N 0.62 0.00 -0.86 0.27 5.85 -1.95 -3.11 115.31 116.12 3i5h h LEU 152 Ca 0.00 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 3i5h h LEU 152 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3i5h h LEU 152 CO 0.00 0.23 -0.56 -0.26 -0.34 0.00 0.00 178.44 177.51 3i5h h PHE 153 N 0.00 0.00 0.79 1.25 0.05 -1.97 -2.25 116.94 114.81 3i5h h PHE 153 Ca -0.00 0.00 -0.04 0.00 3.82 0.00 0.00 57.97 61.75 3i5h h PHE 153 Cb 0.59 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.54 3i5h h PHE 153 CO 0.00 0.56 -0.44 0.66 -0.18 0.00 0.00 178.31 178.91 3i5h h SER 154 N 0.00 -1.08 -0.88 2.17 4.64 -1.79 1.32 113.55 117.93 3i5h h SER 154 Ca -0.01 0.05 0.21 0.00 -0.47 0.00 0.00 61.79 61.57 3i5h h SER 154 Cb 1.00 0.30 -0.12 0.00 -0.31 0.00 0.00 62.40 63.28 3i5h h SER 154 CO 0.07 -0.70 0.39 -0.29 -0.87 0.00 0.00 176.83 175.43 3i5h h ILE 155 N -1.14 0.52 -0.16 0.95 6.09 -1.67 0.06 117.51 122.16 3i5h h ILE 155 Ca -0.11 -0.15 -0.19 0.00 -1.37 0.00 0.00 64.86 63.05 3i5h h ILE 155 Cb 0.89 0.05 -0.00 0.00 0.47 0.00 0.00 36.82 38.23 3i5h h ILE 155 CO 0.14 0.08 -0.66 0.00 -3.07 0.00 0.00 178.15 174.63 3i5h h ALA 156 N 1.68 0.54 0.67 0.18 0.00 -0.83 -2.58 119.26 118.92 3i5h h ALA 156 Ca 0.54 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3i5h h ALA 156 Cb 0.98 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.72 3i5h h ALA 156 CO -0.50 0.71 -0.32 0.22 0.00 0.00 0.00 179.25 179.36 3i5h h ASP 157 N 0.44 -0.76 -0.67 0.00 1.82 0.35 -1.91 116.42 115.69 3i5h h ASP 157 Ca -0.02 0.01 0.14 0.00 -0.39 0.00 0.00 57.03 56.77 3i5h h ASP 157 Cb 1.25 0.20 -0.12 0.00 0.68 0.00 0.00 39.33 41.33 3i5h h ASP 157 CO 0.13 -0.38 -0.12 0.78 -1.61 0.00 0.00 179.24 178.04 3i5h h ASN 158 N -1.22 -0.53 -1.00 2.28 2.35 -1.28 3.04 115.58 119.22 3i5h h ASN 158 Ca -0.09 0.19 0.35 0.00 -0.55 0.00 0.00 56.30 56.20 3i5h h ASN 158 Cb 0.70 0.38 -0.18 0.00 0.05 0.00 0.00 38.32 39.27 3i5h h ASN 158 CO 0.15 -0.20 0.30 0.00 -1.65 0.00 0.00 177.43 176.03 3i5h h ALA 159 N 1.66 1.70 0.07 -0.83 0.00 -1.35 1.10 119.26 121.61 3i5h h ALA 159 Ca 0.33 0.31 -0.00 0.00 0.00 0.00 0.00 54.91 55.54 3i5h h ALA 159 Cb 0.53 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3i5h h ALA 159 CO -0.66 -0.78 -0.03 -0.92 0.00 0.00 0.00 179.25 176.86 3i5h h TYR 160 N 0.00 -0.09 -0.68 0.00 3.20 0.62 -2.85 116.97 117.17 3i5h h TYR 160 Ca 0.73 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.75 3i5h h TYR 160 Cb 1.77 0.03 -0.11 0.00 1.54 0.00 0.00 36.73 39.96 3i5h h TYR 160 CO -0.24 0.41 0.05 1.96 -1.64 0.00 0.00 178.16 178.70 3i5h h GLN 161 N -0.65 0.15 -0.99 1.82 4.20 0.37 0.17 115.11 120.19 3i5h h GLN 161 Ca -0.01 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.72 3i5h h GLN 161 Cb 0.54 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.23 3i5h h GLN 161 CO 0.02 0.10 0.65 1.88 -0.67 0.00 0.00 178.83 180.81 3i5h h TYR 162 N 0.16 1.23 0.00 2.96 -1.99 -0.09 0.74 116.97 119.97 3i5h h TYR 162 Ca 0.37 0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.13 3i5h h TYR 162 Cb 0.62 -0.41 0.00 0.00 2.00 0.00 0.00 36.73 38.93 3i5h h TYR 162 CO -0.35 0.74 0.00 -0.12 -0.00 0.00 0.00 178.16 178.43 3i5h n MET 163 N -4.41 0.00 -0.32 4.88 1.56 0.59 0.32 117.12 119.73 3i5h n MET 163 Ca 0.13 0.44 0.14 0.00 -0.27 0.00 0.00 57.70 58.14 3i5h n MET 163 Cb 0.06 -1.26 0.37 0.00 2.15 0.00 0.00 33.22 34.54 3i5h n MET 163 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 3i5h h LEU 164 N 0.00 0.69 0.00 -0.89 3.38 -1.40 0.58 115.31 117.66 3i5h h LEU 164 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3i5h h LEU 164 Cb 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3i5h h LEU 164 CO 0.00 0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.81 3i5h n GLN 165 N -4.65 0.00 0.08 1.13 6.02 0.26 -3.87 117.38 116.34 3i5h n GLN 165 Ca 0.21 0.34 0.12 0.00 -0.01 0.00 0.00 57.00 57.66 3i5h n GLN 165 Cb 0.57 -1.16 0.45 0.00 1.02 0.00 0.00 30.24 31.12 3i5h n GLN 165 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3i5h n ASP 166 N -1.53 0.50 -3.04 1.08 8.00 0.15 -4.94 116.55 116.78 3i5h n ASP 166 Ca 0.00 0.59 -0.06 0.00 0.71 0.00 0.00 54.79 56.03 3i5h n ASP 166 Cb 0.00 -0.71 0.03 0.00 -0.02 0.00 0.00 41.12 40.42 3i5h n ASP 166 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3i5h n ARG 167 N -2.01 -1.61 -3.64 -1.24 1.74 0.20 -5.05 116.66 105.05 3i5h n ARG 167 Ca 0.04 1.18 -0.04 0.00 -0.77 0.00 0.00 57.85 58.26 3i5h n ARG 167 Cb 0.30 -5.54 -0.07 0.00 -1.02 0.00 0.00 32.46 26.13 3i5h n ARG 167 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3i5h s GLU 168 N -3.55 0.50 0.26 5.56 -1.05 -1.22 -5.07 118.70 114.13 3i5h s GLU 168 Ca 0.18 0.86 -0.17 0.00 -0.15 0.00 0.00 54.97 55.70 3i5h s GLU 168 Cb -0.02 0.10 -0.12 0.00 -0.44 0.00 0.00 34.13 33.65 3i5h s GLU 168 CO 0.70 -0.11 0.13 0.09 0.95 0.00 0.00 175.26 177.03 3i5h n ASN 169 N 3.93 -1.86 -4.26 0.83 3.02 -1.26 -4.58 115.26 111.08 3i5h n ASN 169 Ca -0.19 0.65 -0.29 0.00 -0.03 0.00 0.00 54.58 54.72 3i5h n ASN 169 Cb 0.58 -0.66 -0.16 0.00 -0.61 0.00 0.00 39.78 38.93 3i5h n ASN 169 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3i5h s GLN 170 N -0.74 1.85 0.09 3.52 -1.52 0.23 -1.93 119.66 121.16 3i5h s GLN 170 Ca 0.44 -0.83 0.09 0.00 -1.95 0.00 0.00 55.36 53.12 3i5h s GLN 170 Cb -0.52 -1.79 -0.04 0.00 -0.22 0.00 0.00 33.01 30.44 3i5h s GLN 170 CO 0.45 0.49 -0.20 -1.54 -0.25 0.00 0.00 175.29 174.24 3i5h s SER 171 N -0.56 3.70 -0.24 5.90 1.04 -0.02 0.14 113.70 123.66 3i5h s SER 171 Ca 0.09 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.97 3i5h s SER 171 Cb -0.09 -0.49 0.07 0.00 0.10 0.00 0.00 66.02 65.61 3i5h s SER 171 CO -0.01 0.21 -0.01 -0.04 0.98 0.00 0.00 173.24 174.37 3i5h s MET 172 N -1.82 1.33 -0.36 4.02 -1.94 0.29 -1.58 119.30 119.25 3i5h s MET 172 Ca 0.16 -0.95 -0.16 0.00 -1.71 0.00 0.00 55.69 53.03 3i5h s MET 172 Cb -0.10 -2.47 -0.01 0.00 2.01 0.00 0.00 34.83 34.26 3i5h s MET 172 CO 0.07 -0.67 0.38 -0.51 -0.01 0.00 0.00 175.02 174.28 3i5h s LEU 173 N 1.47 4.50 -0.11 -0.03 1.43 -0.07 0.17 118.68 126.04 3i5h s LEU 173 Ca -0.02 -0.29 -0.00 0.00 -1.03 0.00 0.00 54.13 52.79 3i5h s LEU 173 Cb -0.18 -2.36 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 3i5h s LEU 173 CO -0.09 -0.39 -0.11 -0.63 0.23 0.00 0.00 176.35 175.37 3i5h s ILE 174 N 2.06 3.31 0.50 -0.59 1.01 -1.17 -0.23 121.20 126.09 3i5h s ILE 174 Ca 0.12 -0.59 0.06 0.00 0.00 0.00 0.00 60.65 60.24 3i5h s ILE 174 Cb -0.17 -2.38 0.01 0.00 0.01 0.00 0.00 42.46 39.93 3i5h s ILE 174 CO 0.12 0.54 0.31 0.42 0.00 0.00 0.00 174.94 176.33 3i5h s THR 175 N 0.02 1.82 0.00 2.92 -4.23 0.19 -4.65 115.64 111.71 3i5h s THR 175 Ca -0.03 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 3i5h s THR 175 Cb -0.14 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.31 3i5h s THR 175 CO 0.04 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 3i5h n GLY 176 N -1.59 3.90 3.76 3.99 0.00 -1.26 -0.55 105.19 113.45 3i5h n GLY 176 Ca -0.03 -1.57 -0.22 0.00 0.00 0.00 0.00 46.02 44.19 3i5h n GLY 176 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i5h s GLU 177 N -3.83 2.65 0.00 1.61 0.41 -1.26 -4.89 118.70 113.38 3i5h s GLU 177 Ca 0.00 -1.23 0.00 0.00 -0.41 0.00 0.00 54.97 53.33 3i5h s GLU 177 Cb 0.00 -2.39 0.00 0.00 -1.78 0.00 0.00 34.13 29.96 3i5h s GLU 177 CO 0.00 0.35 0.00 -1.13 -0.49 0.00 0.00 175.26 173.99 3i5h n SER 178 N -1.09 0.00 -1.27 -0.19 3.41 -1.26 0.78 113.62 114.00 3i5h n SER 178 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 3i5h n SER 178 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 3i5h n SER 178 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i5h n GLY 179 N 0.00 1.17 0.03 5.00 0.00 -1.26 -3.25 105.19 106.88 3i5h n GLY 179 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3i5h n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5h n ALA 180 N 1.11 3.68 -1.40 4.61 0.00 0.23 -4.71 120.51 124.04 3i5h n ALA 180 Ca 0.00 -0.40 -0.14 0.00 0.00 0.00 0.00 53.44 52.91 3i5h n ALA 180 Cb 0.25 -1.07 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 3i5h n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5h n GLY 181 N 1.48 1.41 0.32 0.00 0.00 -1.20 -4.66 105.19 102.55 3i5h n GLY 181 Ca 0.06 -0.26 0.15 0.00 0.00 0.00 0.00 46.02 45.96 3i5h n GLY 181 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3i5h h LYS 182 N 0.03 0.07 0.26 1.61 3.64 -1.88 0.22 116.57 120.50 3i5h h LYS 182 Ca -0.28 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.09 3i5h h LYS 182 Cb 0.97 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 3i5h h LYS 182 CO 0.41 0.04 -0.29 1.79 -2.27 0.00 0.00 179.45 179.14 3i5h h THR 183 N 0.07 0.00 -0.44 1.00 1.35 -1.90 -1.87 112.91 111.12 3i5h h THR 183 Ca 0.59 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 66.49 3i5h h THR 183 Cb 1.23 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 67.60 3i5h h THR 183 CO -0.81 0.00 -0.26 -0.62 -0.25 0.00 0.00 175.52 173.58 3i5h n GLU 184 N -4.11 -0.19 -0.02 4.72 1.02 0.65 -0.61 120.64 122.10 3i5h n GLU 184 Ca -0.07 1.02 -0.01 0.00 -0.02 0.00 0.00 57.16 58.08 3i5h n GLU 184 Cb 0.26 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.17 3i5h n GLU 184 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3i5h h ASN 185 N 0.00 -0.16 -1.00 1.62 2.35 -1.08 0.60 115.58 117.91 3i5h h ASN 185 Ca 0.07 0.02 0.33 0.00 -0.55 0.00 0.00 56.30 56.17 3i5h h ASN 185 Cb 0.18 0.07 -0.15 0.00 0.05 0.00 0.00 38.32 38.47 3i5h h ASN 185 CO -0.41 -0.02 0.56 0.74 -1.65 0.00 0.00 177.43 176.65 3i5h h THR 186 N -0.01 0.29 0.17 2.81 2.02 -0.37 0.50 112.91 118.31 3i5h h THR 186 Ca 0.01 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 3i5h h THR 186 Cb 0.04 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.39 3i5h h THR 186 CO -0.06 0.06 -0.15 0.50 0.37 0.00 0.00 175.52 176.23 3i5h h LYS 187 N 0.31 -0.31 -0.23 6.66 3.64 0.24 -1.57 116.57 125.31 3i5h h LYS 187 Ca 0.74 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 60.21 3i5h h LYS 187 Cb 1.69 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.57 3i5h h LYS 187 CO -0.62 -0.21 0.39 0.87 -2.27 0.00 0.00 179.45 177.62 3i5h h LYS 188 N -0.32 0.00 0.00 1.90 1.57 0.40 0.62 116.57 120.73 3i5h h LYS 188 Ca -0.02 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.60 3i5h h LYS 188 Cb 0.27 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 3i5h h LYS 188 CO -0.01 0.00 -0.74 0.28 -0.57 0.00 0.00 179.45 178.41 3i5h h VAL 189 N 0.00 1.36 -0.01 0.50 2.07 0.13 -1.83 116.25 118.47 3i5h h VAL 189 Ca 0.11 -2.70 -0.23 0.00 0.82 0.00 0.00 66.70 64.71 3i5h h VAL 189 Cb 0.89 2.53 0.02 0.00 -1.52 0.00 0.00 31.29 33.21 3i5h h VAL 189 CO -0.00 0.73 -0.88 0.40 0.02 0.00 0.00 177.57 177.84 3i5h h ILE 190 N 0.00 1.33 -0.20 4.57 2.04 0.11 -2.54 117.51 122.83 3i5h h ILE 190 Ca -0.01 -2.17 0.04 0.00 1.00 0.00 0.00 64.86 63.72 3i5h h ILE 190 Cb 1.47 2.43 -0.03 0.00 -0.74 0.00 0.00 36.82 39.95 3i5h h ILE 190 CO 0.10 0.66 -0.03 1.56 0.00 0.00 0.00 178.15 180.44 3i5h h GLN 191 N 0.23 0.03 0.46 2.37 4.20 -0.97 -2.15 115.11 119.28 3i5h h GLN 191 Ca -0.11 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 3i5h h GLN 191 Cb 1.55 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.31 3i5h h GLN 191 CO 0.17 0.02 -0.43 -0.92 -0.67 0.00 0.00 178.83 177.00 3i5h h TYR 192 N 0.03 -1.17 -0.64 2.96 5.03 -1.31 0.56 116.97 122.42 3i5h h TYR 192 Ca 0.09 0.01 0.19 0.00 2.58 0.00 0.00 58.73 61.60 3i5h h TYR 192 Cb 0.13 0.45 -0.03 0.00 1.55 0.00 0.00 36.73 38.84 3i5h h TYR 192 CO -0.20 -0.57 0.78 0.74 -1.32 0.00 0.00 178.16 177.59 3i5h h PHE 193 N -0.87 0.00 0.11 -3.82 0.04 -1.33 -0.15 116.94 110.92 3i5h h PHE 193 Ca -0.06 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 3i5h h PHE 193 Cb 0.75 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.90 3i5h h PHE 193 CO -0.21 0.00 -0.05 0.00 -0.60 0.00 0.00 178.31 177.45 3i5h h ALA 194 N 1.04 -0.35 -1.12 2.45 0.00 -0.29 -3.14 119.26 117.85 3i5h h ALA 194 Ca 0.30 -0.03 0.36 0.00 0.00 0.00 0.00 54.91 55.54 3i5h h ALA 194 Cb 1.86 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 19.58 3i5h h ALA 194 CO -0.00 -0.34 0.68 -0.07 0.00 0.00 0.00 179.25 179.53 3i5h h LEU 195 N -0.40 0.40 -0.75 0.00 3.38 0.62 0.26 115.31 118.82 3i5h h LEU 195 Ca -0.02 0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3i5h h LEU 195 Cb 0.11 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3i5h h LEU 195 CO 0.03 -0.13 -0.18 -0.37 0.09 0.00 0.00 178.44 177.87 3i5h h VAL 196 N 0.23 0.37 -0.46 1.22 -1.51 -1.38 -2.72 116.25 112.01 3i5h h VAL 196 Ca 0.75 -1.16 -0.06 0.00 -1.23 0.00 0.00 66.70 64.99 3i5h h VAL 196 Cb 2.00 1.88 -0.02 0.00 -2.13 0.00 0.00 31.29 33.02 3i5h h VAL 196 CO -0.50 0.18 0.04 0.00 -1.23 0.00 0.00 177.57 176.06 3i5h h ALA 197 N 1.82 0.62 -0.04 5.19 0.00 -0.42 -2.59 119.26 123.85 3i5h h ALA 197 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3i5h h ALA 197 Cb 0.86 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3i5h h ALA 197 CO 0.02 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.65 3i5h n ALA 198 N -2.41 2.56 -0.20 0.00 0.00 -1.22 -4.15 120.51 115.09 3i5h n ALA 198 Ca 0.00 -0.48 -0.06 0.00 0.00 0.00 0.00 53.44 52.91 3i5h n ALA 198 Cb 0.27 -1.13 0.16 0.00 0.00 0.00 0.00 19.45 18.76 3i5h n ALA 198 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3i5h n SER 199 N 0.29 3.58 -0.06 0.00 7.64 -0.97 -4.39 113.62 119.71 3i5h n SER 199 Ca 0.18 -2.75 -0.02 0.00 1.01 0.00 0.00 58.87 57.29 3i5h n SER 199 Cb 0.37 -0.66 -0.01 0.00 -1.01 0.00 0.00 64.21 62.91 3i5h n SER 199 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3i5h h LEU 200 N 1.60 0.00 0.00 -3.43 3.38 -1.72 -3.49 115.31 111.64 3i5h h LEU 200 Ca 0.20 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3i5h h LEU 200 Cb 1.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.50 3i5h h LEU 200 CO 0.48 0.61 0.00 0.00 0.09 0.00 0.00 178.44 179.62 3i5h n ALA 201 N -3.05 0.00 -0.26 1.53 0.00 -1.26 -5.21 120.51 112.25 3i5h n ALA 201 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3i5h n ALA 201 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 3i5h n ALA 201 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5h n GLY 202 N 0.00 0.31 3.39 0.00 0.00 -1.26 -5.26 105.19 102.37 3i5h n GLY 202 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3i5h n GLY 202 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i5h n LYS 217 N 0.00 -1.52 0.00 1.61 4.76 -1.26 -5.00 118.16 116.76 3i5h n LYS 217 Ca 0.00 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 3i5h n LYS 217 Cb 0.00 -4.01 0.00 0.00 -1.84 0.00 0.00 35.03 29.18 3i5h n LYS 217 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i5h n GLY 218 N -0.77 3.31 3.89 0.72 0.00 -1.26 -4.94 105.19 106.15 3i5h n GLY 218 Ca 0.06 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.18 3i5h n GLY 218 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i5h s THR 219 N -1.37 4.83 0.10 2.61 2.01 -1.26 -4.72 115.64 117.84 3i5h s THR 219 Ca 0.00 0.46 -0.26 0.00 0.31 0.00 0.00 61.69 62.21 3i5h s THR 219 Cb 0.00 -3.86 -0.09 0.00 0.01 0.00 0.00 72.50 68.56 3i5h s THR 219 CO 0.00 -0.94 1.42 0.25 -0.69 0.00 0.00 174.62 174.67 3i5h h LEU 220 N 0.09 -1.46 -0.76 4.42 5.85 -1.98 1.12 115.31 122.59 3i5h h LEU 220 Ca -0.46 0.19 0.12 0.00 0.84 0.00 0.00 57.88 58.57 3i5h h LEU 220 Cb 1.20 0.60 -0.13 0.00 0.37 0.00 0.00 40.66 42.69 3i5h h LEU 220 CO 0.62 -0.31 -0.37 -0.33 -0.34 0.00 0.00 178.44 177.71 3i5h h GLU 221 N -0.30 -0.10 -0.11 1.25 3.07 -1.91 -1.70 114.58 114.78 3i5h h GLU 221 Ca 0.06 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.91 3i5h h GLU 221 Cb 0.46 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.39 3i5h h GLU 221 CO -0.47 -0.07 0.01 -0.44 -1.40 0.00 0.00 179.01 176.64 3i5h h ASP 222 N -0.10 0.18 -0.95 1.42 3.32 -1.52 0.39 116.42 119.16 3i5h h ASP 222 Ca 0.27 -0.29 0.27 0.00 0.02 0.00 0.00 57.03 57.30 3i5h h ASP 222 Cb 0.57 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 3i5h h ASP 222 CO -0.81 0.43 0.68 1.56 -1.72 0.00 0.00 179.24 179.37 3i5h h GLN 223 N -0.06 0.07 0.01 3.56 4.20 0.21 0.36 115.11 123.45 3i5h h GLN 223 Ca 0.03 -0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.43 3i5h h GLN 223 Cb 0.33 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 3i5h h GLN 223 CO 0.00 0.04 -1.71 -0.89 -0.67 0.00 0.00 178.83 175.60 3i5h n ILE 224 N -4.30 1.56 0.18 2.54 5.41 -0.76 -3.86 119.36 120.12 3i5h n ILE 224 Ca 0.20 -0.20 0.11 0.00 1.00 0.00 0.00 62.75 63.87 3i5h n ILE 224 Cb 0.98 -1.95 0.60 0.00 -0.71 0.00 0.00 39.64 38.56 3i5h n ILE 224 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3i5h h VAL 225 N -0.87 0.00 -0.43 1.39 2.07 0.14 -1.31 116.25 117.25 3i5h h VAL 225 Ca -0.46 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 3i5h h VAL 225 Cb 1.48 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3i5h h VAL 225 CO -0.24 0.00 0.13 -0.61 0.02 0.00 0.00 177.57 176.87 3i5h h GLN 226 N 0.00 0.67 0.00 1.57 4.15 -0.40 -3.22 115.11 117.88 3i5h h GLN 226 Ca 0.00 -0.15 -0.05 0.00 0.77 0.00 0.00 58.65 59.22 3i5h h GLN 226 Cb 0.14 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 3i5h h GLN 226 CO 0.00 0.66 -0.72 0.00 -1.93 0.00 0.00 178.83 176.84 3i5h h ASN 228 N 0.00 0.00 -0.04 0.00 4.21 -1.54 -0.88 115.58 117.33 3i5h h ASN 228 Ca -0.03 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.28 3i5h h ASN 228 Cb 1.17 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 38.39 3i5h h ASN 228 CO 0.02 0.00 -0.77 -0.65 -1.29 0.00 0.00 177.43 174.74 3i5h h PRO 229 N 0.00 0.60 -0.40 0.81 0.11 -1.79 -2.26 132.00 129.07 3i5h h PRO 229 Ca 0.36 -0.58 -0.03 0.00 0.11 0.00 0.00 66.00 65.86 3i5h h PRO 229 Cb 2.28 0.15 -0.02 0.00 0.11 0.00 0.00 31.00 33.52 3i5h h PRO 229 CO -0.00 1.20 0.14 0.28 -0.21 0.00 0.00 178.00 179.41 3i5h h VAL 230 N 0.22 1.21 -0.25 3.15 2.07 -1.45 -1.43 116.25 119.76 3i5h h VAL 230 Ca -0.08 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 3i5h h VAL 230 Cb 1.43 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 3i5h h VAL 230 CO 0.15 0.24 0.06 -0.07 0.02 0.00 0.00 177.57 177.97 3i5h h LEU 231 N 0.50 0.38 -1.19 2.57 3.38 -1.64 -2.38 115.31 116.93 3i5h h LEU 231 Ca 0.13 -0.23 0.14 0.00 0.09 0.00 0.00 57.88 58.00 3i5h h LEU 231 Cb 0.23 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 3i5h h LEU 231 CO -0.01 0.52 0.59 -0.33 0.09 0.00 0.00 178.44 179.30 3i5h h GLU 232 N 0.23 0.77 -0.78 1.13 5.08 -1.28 2.26 114.58 121.99 3i5h h GLU 232 Ca 0.08 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.44 3i5h h GLU 232 Cb 0.29 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 3i5h h GLU 232 CO 0.00 0.51 0.51 0.00 -1.00 0.00 0.00 179.01 179.03 3i5h h ALA 233 N 1.58 1.59 0.00 3.43 0.00 -0.73 -0.66 119.26 124.47 3i5h h ALA 233 Ca 0.47 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.25 3i5h h ALA 233 Cb 0.65 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3i5h h ALA 233 CO -0.23 0.32 -1.93 0.66 0.00 0.00 0.00 179.25 178.06 3i5h n TYR 234 N -4.47 0.00 0.97 0.00 4.02 0.26 -0.52 117.16 117.42 3i5h n TYR 234 Ca 0.11 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.11 3i5h n TYR 234 Cb 0.16 -0.55 0.04 0.00 -0.02 0.00 0.00 39.34 38.97 3i5h n TYR 234 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i5h n GLY 235 N 1.62 0.40 2.86 2.72 0.00 0.74 -4.89 105.19 108.64 3i5h n GLY 235 Ca -0.11 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 3i5h n GLY 235 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i5h n ASN 236 N 0.52 3.03 0.00 1.61 4.13 -0.27 0.31 115.26 124.60 3i5h n ASN 236 Ca 0.11 -2.72 0.00 0.00 1.68 0.00 0.00 54.58 53.65 3i5h n ASN 236 Cb 0.51 0.25 0.00 0.00 -1.54 0.00 0.00 39.78 38.99 3i5h n ASN 236 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i5h n ALA 237 N -1.77 0.00 -2.65 5.41 0.00 -0.92 -3.13 120.51 117.45 3i5h n ALA 237 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 3i5h n ALA 237 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.90 3i5h n ALA 237 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3i5h s LYS 238 N -2.00 4.18 0.11 0.00 2.20 -1.24 0.10 119.74 123.10 3i5h s LYS 238 Ca 0.00 0.72 0.03 0.00 -0.36 0.00 0.00 55.97 56.36 3i5h s LYS 238 Cb 0.00 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.67 3i5h s LYS 238 CO 0.00 -0.37 0.15 0.95 -0.36 0.00 0.00 175.35 175.72 3i5h s THR 239 N 2.33 4.77 0.13 3.43 -4.23 0.82 -1.91 115.64 120.98 3i5h s THR 239 Ca 0.30 -0.79 -0.06 0.00 -1.18 0.00 0.00 61.69 59.97 3i5h s THR 239 Cb -0.16 -3.37 0.20 0.00 1.34 0.00 0.00 72.50 70.51 3i5h s THR 239 CO 0.09 0.03 0.79 0.41 -0.54 0.00 0.00 174.62 175.40 3i5h n THR 240 N 0.04 -0.23 -1.31 3.99 -1.04 -1.26 0.41 114.28 114.88 3i5h n THR 240 Ca -0.08 1.17 -0.18 0.00 -2.04 0.00 0.00 64.05 62.92 3i5h n THR 240 Cb 0.53 -1.60 0.18 0.00 -1.82 0.00 0.00 70.33 67.63 3i5h n THR 240 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3i5h n ARG 241 N -4.80 2.13 -3.42 -2.82 1.74 -1.26 -4.93 116.66 103.30 3i5h n ARG 241 Ca 0.07 -3.08 0.01 0.00 -0.77 0.00 0.00 57.85 54.08 3i5h n ARG 241 Cb 0.24 -2.07 -0.04 0.00 -1.02 0.00 0.00 32.46 29.57 3i5h n ARG 241 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3i5h s ASN 242 N -1.72 -0.55 0.36 0.55 3.04 0.17 -5.04 114.94 111.74 3i5h s ASN 242 Ca 0.53 0.77 0.03 0.00 0.04 0.00 0.00 52.86 54.23 3i5h s ASN 242 Cb 0.46 1.60 0.66 0.00 -1.54 0.00 0.00 41.25 42.43 3i5h s ASN 242 CO 0.07 -0.11 2.01 0.78 -3.04 0.00 0.00 177.10 176.81 3i5h h ASN 243 N 7.35 0.69 -3.02 -4.21 2.35 -1.87 0.23 115.58 117.10 3i5h h ASN 243 Ca -0.17 -0.02 -0.57 0.00 -0.55 0.00 0.00 56.30 54.99 3i5h h ASN 243 Cb 1.12 -0.17 -0.40 0.00 0.05 0.00 0.00 38.32 38.92 3i5h h ASN 243 CO 0.09 0.51 -0.78 0.21 -1.65 0.00 0.00 177.43 175.81 3i5h s ASN 244 N -6.51 3.64 -0.28 5.81 3.04 -1.26 -3.65 114.94 115.73 3i5h s ASN 244 Ca -0.10 -1.84 -0.01 0.00 0.04 0.00 0.00 52.86 50.95 3i5h s ASN 244 Cb 0.18 -0.68 0.05 0.00 -1.54 0.00 0.00 41.25 39.25 3i5h s ASN 244 CO 0.76 -0.37 -0.03 -0.55 -3.04 0.00 0.00 177.10 173.86 3i5h s SER 245 N 1.39 4.70 -0.15 -4.21 0.15 0.28 -4.80 113.70 111.07 3i5h s SER 245 Ca 0.13 -1.23 -0.29 0.00 0.70 0.00 0.00 55.95 55.26 3i5h s SER 245 Cb -0.19 -1.67 -0.06 0.00 -1.71 0.00 0.00 66.02 62.39 3i5h s SER 245 CO -0.18 -0.22 2.11 -0.94 1.20 0.00 0.00 173.24 175.20 3i5h s SER 246 N 1.24 5.80 -0.39 5.45 1.04 -1.26 -2.17 113.70 123.40 3i5h s SER 246 Ca -0.05 2.09 0.01 0.00 0.48 0.00 0.00 55.95 58.47 3i5h s SER 246 Cb -0.19 -2.52 0.41 0.00 0.10 0.00 0.00 66.02 63.82 3i5h s SER 246 CO -0.02 -1.66 1.82 0.54 0.98 0.00 0.00 173.24 174.90 3i5h n ARG 247 N 8.35 2.04 -4.07 4.02 5.12 0.90 -4.61 116.66 128.41 3i5h n ARG 247 Ca 0.26 -2.24 -0.10 0.00 -1.93 0.00 0.00 57.85 53.84 3i5h n ARG 247 Cb 0.44 -1.88 -0.07 0.00 -1.16 0.00 0.00 32.46 29.79 3i5h n ARG 247 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 3i5h s PHE 248 N -2.53 0.65 -0.21 -1.55 -0.71 -1.25 -0.67 117.98 111.70 3i5h s PHE 248 Ca 0.43 -0.96 -0.04 0.00 -1.04 0.00 0.00 56.93 55.33 3i5h s PHE 248 Cb 0.35 -0.06 -0.01 0.00 -1.21 0.00 0.00 43.02 42.09 3i5h s PHE 248 CO 0.04 -0.89 -0.04 0.20 -1.34 0.00 0.00 175.22 173.19 3i5h s GLY 249 N -3.07 1.63 -0.09 1.99 0.00 0.30 -4.45 107.32 103.62 3i5h s GLY 249 Ca 0.28 -1.11 0.01 0.00 0.00 0.00 0.00 44.72 43.90 3i5h s GLY 249 CO 0.11 0.35 -0.11 -1.59 0.00 0.00 0.00 173.10 171.85 3i5h s LYS 250 N 1.31 2.97 -0.30 2.90 -2.85 0.32 0.36 119.74 124.44 3i5h s LYS 250 Ca 0.04 -0.65 -0.02 0.00 -1.00 0.00 0.00 55.97 54.34 3i5h s LYS 250 Cb -0.14 -2.56 0.05 0.00 -2.06 0.00 0.00 37.83 33.12 3i5h s LYS 250 CO -0.01 0.46 0.01 0.12 0.10 0.00 0.00 175.35 176.02 3i5h s PHE 251 N -0.27 3.27 -0.62 1.78 5.36 -0.45 0.14 117.98 127.19 3i5h s PHE 251 Ca 0.02 -1.88 -0.20 0.00 -0.96 0.00 0.00 56.93 53.91 3i5h s PHE 251 Cb -0.13 -2.14 0.09 0.00 -0.34 0.00 0.00 43.02 40.50 3i5h s PHE 251 CO 0.03 -0.81 0.81 0.42 -1.46 0.00 0.00 175.22 174.21 3i5h s ILE 252 N 1.25 4.63 -0.15 3.12 1.01 -0.40 -1.73 121.20 128.93 3i5h s ILE 252 Ca -0.05 -0.77 -0.22 0.00 0.00 0.00 0.00 60.65 59.61 3i5h s ILE 252 Cb -0.20 -4.57 -0.03 0.00 0.01 0.00 0.00 42.46 37.68 3i5h s ILE 252 CO -0.01 -1.26 0.68 -0.13 0.00 0.00 0.00 174.94 174.22 3i5h s ARG 253 N 3.20 4.30 -0.15 2.79 0.52 -0.50 -1.92 118.95 127.19 3i5h s ARG 253 Ca 0.16 0.76 -0.04 0.00 -0.52 0.00 0.00 55.73 56.09 3i5h s ARG 253 Cb -0.21 -3.54 -0.03 0.00 0.52 0.00 0.00 34.95 31.69 3i5h s ARG 253 CO 0.07 -0.16 -0.00 0.42 0.02 0.00 0.00 175.30 175.65 3i5h s ILE 254 N 1.61 4.21 0.28 1.52 1.01 -0.60 -1.95 121.20 127.27 3i5h s ILE 254 Ca 0.33 -0.25 0.06 0.00 0.00 0.00 0.00 60.65 60.79 3i5h s ILE 254 Cb -0.16 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 3i5h s ILE 254 CO 0.13 0.50 0.32 -1.00 0.00 0.00 0.00 174.94 174.88 3i5h s HIS 255 N 0.18 3.20 0.05 3.97 3.76 0.14 -0.80 115.29 125.79 3i5h s HIS 255 Ca 0.00 -0.13 -0.03 0.00 -0.15 0.00 0.00 55.06 54.75 3i5h s HIS 255 Cb -0.13 -1.63 -0.02 0.00 1.11 0.00 0.00 32.58 31.91 3i5h s HIS 255 CO 0.02 0.34 0.04 -0.06 -0.85 0.00 0.00 174.74 174.23 3i5h s PHE 256 N -2.11 0.36 0.32 1.40 0.40 -0.73 -1.43 117.98 116.18 3i5h s PHE 256 Ca 0.37 -0.80 0.08 0.00 -0.60 0.00 0.00 56.93 55.97 3i5h s PHE 256 Cb -0.08 -0.25 -0.03 0.00 0.51 0.00 0.00 43.02 43.16 3i5h s PHE 256 CO 0.28 -0.39 0.25 0.20 0.70 0.00 0.00 175.22 176.26 3i5h s GLY 257 N -2.59 1.74 0.45 4.36 0.00 0.40 -2.34 107.32 109.32 3i5h s GLY 257 Ca 0.02 -1.64 0.40 0.00 0.00 0.00 0.00 44.72 43.50 3i5h s GLY 257 CO -0.08 -1.59 1.24 2.41 0.00 0.00 0.00 173.10 175.08 3i5h n THR 258 N -1.30 0.00 -0.07 0.90 -1.04 -1.26 0.17 114.28 111.68 3i5h n THR 258 Ca -0.03 1.18 0.04 0.00 -2.04 0.00 0.00 64.05 63.20 3i5h n THR 258 Cb 0.60 -1.98 0.23 0.00 -1.82 0.00 0.00 70.33 67.36 3i5h n THR 258 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i5h n GLN 259 N -3.51 3.21 -1.25 -2.82 1.13 -1.26 -4.82 117.38 108.07 3i5h n GLN 259 Ca 0.35 -1.80 -0.09 0.00 -1.94 0.00 0.00 57.00 53.52 3i5h n GLN 259 Cb 1.60 -1.93 -0.04 0.00 0.11 0.00 0.00 30.24 29.99 3i5h n GLN 259 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i5h n GLY 260 N 0.38 1.03 3.71 1.08 0.00 0.45 -4.96 105.19 106.88 3i5h n GLY 260 Ca 0.16 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 3i5h n GLY 260 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i5h s LYS 261 N -2.57 4.57 0.19 1.61 -2.85 -1.03 -4.56 119.74 115.10 3i5h s LYS 261 Ca 0.00 1.46 -0.31 0.00 -1.00 0.00 0.00 55.97 56.12 3i5h s LYS 261 Cb 0.00 -3.43 -0.09 0.00 -2.06 0.00 0.00 37.83 32.24 3i5h s LYS 261 CO 0.00 -0.02 1.45 0.42 0.10 0.00 0.00 175.35 177.30 3i5h s ILE 262 N 0.82 2.86 -0.01 3.79 1.01 -1.26 0.15 121.20 128.56 3i5h s ILE 262 Ca 0.52 0.67 0.02 0.00 0.00 0.00 0.00 60.65 61.85 3i5h s ILE 262 Cb -0.22 -3.43 0.03 0.00 0.01 0.00 0.00 42.46 38.85 3i5h s ILE 262 CO 0.29 0.08 0.79 0.00 0.00 0.00 0.00 174.94 176.10 3i5h n ALA 263 N 3.16 1.58 0.00 9.38 0.00 -0.52 -4.80 120.51 129.31 3i5h n ALA 263 Ca 0.10 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.58 3i5h n ALA 263 Cb 0.41 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.71 3i5h n ALA 263 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5h n GLY 264 N -0.28 1.57 3.32 0.00 0.00 -1.26 -4.14 105.19 104.41 3i5h n GLY 264 Ca 0.02 -1.89 -0.15 0.00 0.00 0.00 0.00 46.02 44.00 3i5h n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5h n ALA 265 N -1.25 -0.21 0.00 4.61 0.00 -1.26 0.25 120.51 122.65 3i5h n ALA 265 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 53.44 51.79 3i5h n ALA 265 Cb 0.00 1.33 0.00 0.00 0.00 0.00 0.00 19.45 20.78 3i5h n ALA 265 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i5h n ASP 266 N -1.64 0.00 -4.18 0.00 5.75 -0.82 -4.34 116.55 111.32 3i5h n ASP 266 Ca 0.02 0.00 -0.32 0.00 -0.01 0.00 0.00 54.79 54.47 3i5h n ASP 266 Cb 0.58 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.51 3i5h n ASP 266 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3i5h s ILE 267 N -2.00 2.03 0.06 2.12 1.01 -1.26 -1.41 121.20 121.76 3i5h s ILE 267 Ca 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.68 3i5h s ILE 267 Cb 0.00 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 3i5h s ILE 267 CO 0.00 0.55 0.15 -1.61 0.00 0.00 0.00 174.94 174.03 3i5h s GLU 268 N 0.68 3.21 -0.02 2.79 2.02 -0.70 -4.89 118.70 121.78 3i5h s GLU 268 Ca -0.11 -0.53 0.02 0.00 0.02 0.00 0.00 54.97 54.37 3i5h s GLU 268 Cb -0.16 -2.92 0.01 0.00 0.10 0.00 0.00 34.13 31.16 3i5h s GLU 268 CO 0.01 0.60 -0.06 0.95 0.02 0.00 0.00 175.26 176.78 3i5h s THR 269 N -1.44 0.59 0.17 3.63 -4.23 -1.26 -1.34 115.64 111.77 3i5h s THR 269 Ca 0.32 -0.25 0.07 0.00 -1.18 0.00 0.00 61.69 60.66 3i5h s THR 269 Cb -0.13 -0.54 -0.04 0.00 1.34 0.00 0.00 72.50 73.13 3i5h s THR 269 CO 0.24 0.20 -0.15 -0.31 -0.54 0.00 0.00 174.62 174.06 3i5h s TYR 270 N 0.30 1.66 -0.57 3.99 1.51 0.16 -4.95 117.35 119.45 3i5h s TYR 270 Ca -0.04 -0.54 -0.25 0.00 -1.01 0.00 0.00 57.07 55.23 3i5h s TYR 270 Cb -0.08 -0.81 0.04 0.00 -0.11 0.00 0.00 41.96 40.99 3i5h s TYR 270 CO 0.00 0.29 0.65 1.28 -1.11 0.00 0.00 175.55 176.66 3i5h n LEU 271 N 0.03 -2.91 -4.79 -1.29 4.77 -1.26 0.11 117.00 111.66 3i5h n LEU 271 Ca -0.11 -0.34 -0.39 0.00 -0.03 0.00 0.00 56.01 55.14 3i5h n LEU 271 Cb 0.59 -1.82 -0.06 0.00 -2.33 0.00 0.00 43.42 39.80 3i5h n LEU 271 CO 0.31 -0.12 0.31 -0.22 -1.33 0.00 0.00 177.39 176.34 3i5h s LEU 272 N -3.26 4.49 -1.14 2.23 2.96 -1.26 -3.83 118.68 118.87 3i5h s LEU 272 Ca 0.25 1.27 -0.22 0.00 -0.22 0.00 0.00 54.13 55.21 3i5h s LEU 272 Cb -0.03 -2.96 -0.03 0.00 0.50 0.00 0.00 46.19 43.67 3i5h s LEU 272 CO 0.87 0.19 1.83 -0.70 -1.32 0.00 0.00 176.35 177.23 3i5h s GLU 273 N -0.72 2.99 0.07 1.98 2.12 0.15 -4.81 118.70 120.48 3i5h s GLU 273 Ca 0.31 -1.19 -0.21 0.00 0.36 0.00 0.00 54.97 54.24 3i5h s GLU 273 Cb -0.19 -5.29 -0.08 0.00 0.26 0.00 0.00 34.13 28.82 3i5h s GLU 273 CO 0.19 -3.25 1.33 0.87 -0.54 0.00 0.00 175.26 173.86 3i5h h LYS 274 N 9.53 -0.39 -0.33 4.30 1.57 -1.92 -2.87 116.57 126.45 3i5h h LYS 274 Ca 0.25 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.12 3i5h h LYS 274 Cb 0.94 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 33.28 3i5h h LYS 274 CO 1.30 -0.26 -0.07 0.43 -0.57 0.00 0.00 179.45 180.28 3i5h n SER 275 N -4.28 -0.10 -0.37 0.86 7.64 -1.26 0.83 113.62 116.94 3i5h n SER 275 Ca -0.04 0.56 0.33 0.00 1.01 0.00 0.00 58.87 60.73 3i5h n SER 275 Cb 0.24 -0.18 0.67 0.00 -1.01 0.00 0.00 64.21 63.93 3i5h n SER 275 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3i5h h ARG 276 N 0.00 0.13 0.00 1.43 2.43 -1.71 0.28 114.38 116.94 3i5h h ARG 276 Ca 0.16 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3i5h h ARG 276 Cb 0.27 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3i5h h ARG 276 CO -0.33 0.08 -0.01 0.28 -1.51 0.00 0.00 179.97 178.48 3i5h h VAL 277 N 0.13 0.06 0.00 0.20 2.07 0.24 -3.13 116.25 115.83 3i5h h VAL 277 Ca 0.63 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 68.02 3i5h h VAL 277 Cb 2.19 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 3i5h h VAL 277 CO -0.15 0.01 0.00 0.35 0.02 0.00 0.00 177.57 177.80 3i5h n THR 278 N -3.16 0.45 -3.79 2.57 -2.24 0.91 -4.80 114.28 104.22 3i5h n THR 278 Ca -0.02 -0.46 -0.13 0.00 -2.27 0.00 0.00 64.05 61.17 3i5h n THR 278 Cb 0.13 0.79 -0.12 0.00 -2.10 0.00 0.00 70.33 69.04 3i5h n THR 278 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3i5h s TYR 279 N -0.45 -0.25 -0.04 4.78 5.04 -0.70 -4.86 117.35 120.88 3i5h s TYR 279 Ca 0.00 0.62 0.02 0.00 -2.44 0.00 0.00 57.07 55.26 3i5h s TYR 279 Cb 0.00 0.09 0.01 0.00 0.35 0.00 0.00 41.96 42.41 3i5h s TYR 279 CO 0.00 -0.12 -0.07 -0.65 -1.34 0.00 0.00 175.55 173.37 3i5h s GLN 280 N 0.12 0.92 -1.19 4.97 1.11 -1.26 -4.40 119.66 119.93 3i5h s GLN 280 Ca -0.00 -0.21 -0.14 0.00 0.01 0.00 0.00 55.36 55.02 3i5h s GLN 280 Cb -0.02 -0.87 0.17 0.00 -1.01 0.00 0.00 33.01 31.28 3i5h s GLN 280 CO 0.00 0.01 1.41 -0.65 0.01 0.00 0.00 175.29 176.08 3i5h s GLN 281 N 0.55 4.05 0.00 2.91 -0.21 -1.26 -4.21 119.66 121.48 3i5h s GLN 281 Ca -0.08 -2.52 0.00 0.00 0.02 0.00 0.00 55.36 52.78 3i5h s GLN 281 Cb -0.12 -5.05 0.00 0.00 1.00 0.00 0.00 33.01 28.84 3i5h s GLN 281 CO 0.01 -1.77 0.00 0.45 -2.12 0.00 0.00 175.29 171.86 3i5h n SER 282 N 5.72 0.00 -1.46 5.90 2.88 -1.26 -1.35 113.62 124.05 3i5h n SER 282 Ca 0.36 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.93 3i5h n SER 282 Cb 0.43 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 64.15 3i5h n SER 282 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i5h n ALA 283 N 0.33 3.53 -2.72 -1.46 0.00 -1.26 -2.96 120.51 115.95 3i5h n ALA 283 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.11 3i5h n ALA 283 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.35 3i5h n ALA 283 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i5h n GLU 284 N 0.33 3.73 -3.52 0.00 1.02 -0.46 -4.04 120.64 117.70 3i5h n GLU 284 Ca 0.20 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.21 3i5h n GLU 284 Cb 0.92 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 32.29 3i5h n GLU 284 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3i5h s ARG 285 N 1.57 0.93 1.06 3.49 3.52 -0.80 -1.25 118.95 127.46 3i5h s ARG 285 Ca 0.00 0.03 -0.16 0.00 -0.13 0.00 0.00 55.73 55.47 3i5h s ARG 285 Cb 0.00 0.43 0.22 0.00 -1.56 0.00 0.00 34.95 34.05 3i5h s ARG 285 CO 0.00 -0.33 1.14 1.21 -0.81 0.00 0.00 175.30 176.51 3i5h s ASN 286 N -1.61 2.15 0.60 -2.12 3.84 -1.26 -4.41 114.94 112.12 3i5h s ASN 286 Ca -0.04 0.76 -0.18 0.00 0.21 0.00 0.00 52.86 53.60 3i5h s ASN 286 Cb -0.00 -1.13 -0.05 0.00 -0.55 0.00 0.00 41.25 39.51 3i5h s ASN 286 CO 0.01 -3.38 0.94 -1.22 -2.79 0.00 0.00 177.10 170.66 3i5h n TYR 287 N -4.28 0.74 -0.28 0.43 4.01 -1.26 -4.60 117.16 111.92 3i5h n TYR 287 Ca 0.10 0.44 0.07 0.00 -0.16 0.00 0.00 57.90 58.35 3i5h n TYR 287 Cb 0.59 -2.13 0.21 0.00 -0.31 0.00 0.00 39.34 37.70 3i5h n TYR 287 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3i5h h HIS 288 N 0.49 0.63 -0.41 -0.72 3.86 -1.57 -2.90 115.15 114.53 3i5h h HIS 288 Ca -0.48 0.04 0.12 0.00 -1.16 0.00 0.00 60.37 58.88 3i5h h HIS 288 Cb 1.37 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 29.66 3i5h h HIS 288 CO 0.37 0.10 0.32 0.97 0.86 0.00 0.00 177.93 180.56 3i5h h ILE 289 N 0.51 0.67 0.58 2.45 2.10 -1.12 -1.57 117.51 121.13 3i5h h ILE 289 Ca 0.45 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 66.36 3i5h h ILE 289 Cb 0.68 0.77 0.01 0.00 -1.09 0.00 0.00 36.82 37.18 3i5h h ILE 289 CO -0.40 0.00 -0.28 -0.26 -1.08 0.00 0.00 178.15 176.13 3i5h h PHE 290 N 0.00 -0.72 -0.65 2.19 0.04 -1.78 -2.59 116.94 113.43 3i5h h PHE 290 Ca 0.20 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 3i5h h PHE 290 Cb 0.84 0.24 -0.03 0.00 2.20 0.00 0.00 35.95 39.20 3i5h h PHE 290 CO 0.00 -0.40 0.39 1.88 -0.60 0.00 0.00 178.31 179.58 3i5h h TYR 291 N -0.92 0.85 0.12 -0.55 -1.99 -1.54 -3.09 116.97 109.86 3i5h h TYR 291 Ca -0.08 -0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.67 3i5h h TYR 291 Cb 0.65 -0.28 -0.05 0.00 2.00 0.00 0.00 36.73 39.05 3i5h h TYR 291 CO -0.01 0.57 -0.44 1.96 -0.00 0.00 0.00 178.16 180.25 3i5h h GLN 292 N 0.88 -0.65 -1.41 4.88 4.20 -1.32 -1.80 115.11 119.90 3i5h h GLN 292 Ca 0.23 0.04 0.45 0.00 0.06 0.00 0.00 58.65 59.44 3i5h h GLN 292 Cb -0.03 0.15 -0.12 0.00 0.30 0.00 0.00 27.48 27.78 3i5h h GLN 292 CO -0.04 -0.43 0.93 -0.07 -0.67 0.00 0.00 178.83 178.54 3i5h h LEU 293 N -0.67 0.20 -4.95 1.46 3.38 -1.37 -2.22 115.31 111.14 3i5h h LEU 293 Ca 0.02 0.12 -0.65 0.00 0.09 0.00 0.00 57.88 57.45 3i5h h LEU 293 Cb 0.70 0.11 -0.22 0.00 0.09 0.00 0.00 40.66 41.34 3i5h h LEU 293 CO -0.25 -0.16 0.88 0.18 0.09 0.00 0.00 178.44 179.18 3i5h n LEU 294 N -4.58 7.09 -4.18 1.67 4.77 -0.68 -4.71 117.00 116.39 3i5h n LEU 294 Ca 0.38 -4.54 -0.13 0.00 -0.03 0.00 0.00 56.01 51.69 3i5h n LEU 294 Cb 1.52 -1.18 -0.10 0.00 -2.33 0.00 0.00 43.42 41.33 3i5h n LEU 294 CO 0.24 1.80 -0.40 -0.94 -1.33 0.00 0.00 177.39 176.76 3i5h s SER 295 N -0.33 1.36 -1.00 -1.43 1.04 -0.84 -4.63 113.70 107.88 3i5h s SER 295 Ca 0.54 -0.89 -0.23 0.00 0.48 0.00 0.00 55.95 55.85 3i5h s SER 295 Cb 0.37 0.04 -0.14 0.00 0.10 0.00 0.00 66.02 66.39 3i5h s SER 295 CO -0.28 -0.34 1.93 -0.81 0.98 0.00 0.00 173.24 174.72 3i5h n PRO 296 N 0.31 1.36 0.00 4.02 -0.04 -1.26 -3.80 135.00 135.59 3i5h n PRO 296 Ca -0.14 -2.15 0.00 0.00 -0.04 0.00 0.00 63.50 61.16 3i5h n PRO 296 Cb 0.59 -3.45 0.00 0.00 -0.04 0.00 0.00 33.50 30.60 3i5h n PRO 296 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i5h n ALA 297 N 12.61 2.16 -2.98 0.55 0.00 -1.26 -4.96 120.51 126.63 3i5h n ALA 297 Ca 0.46 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.75 3i5h n ALA 297 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.89 3i5h n ALA 297 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i5h n PHE 298 N -1.76 0.57 -0.31 0.00 3.01 -1.25 -4.99 117.46 112.72 3i5h n PHE 298 Ca 0.00 -3.42 0.01 0.00 1.01 0.00 0.00 57.45 55.05 3i5h n PHE 298 Cb 0.00 -0.40 0.06 0.00 -0.01 0.00 0.00 39.48 39.13 3i5h n PHE 298 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3i5h n PRO 299 N 0.15 -0.16 -0.29 -1.08 -0.02 -1.26 -1.33 135.00 131.02 3i5h n PRO 299 Ca 0.19 1.28 -0.02 0.00 -2.02 0.00 0.00 63.50 62.93 3i5h n PRO 299 Cb 0.72 -1.90 0.01 0.00 -0.02 0.00 0.00 33.50 32.31 3i5h n PRO 299 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3i5h n GLU 300 N -5.26 -0.20 -0.03 -0.52 0.28 -1.26 0.94 120.64 114.58 3i5h n GLU 300 Ca 0.10 1.12 -0.09 0.00 -0.16 0.00 0.00 57.16 58.13 3i5h n GLU 300 Cb 0.36 -1.66 -0.03 0.00 1.43 0.00 0.00 31.44 31.54 3i5h n GLU 300 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 3i5h h ASN 301 N 0.00 -0.03 -1.50 -1.84 2.35 -1.62 0.13 115.58 113.08 3i5h h ASN 301 Ca 0.23 0.03 0.43 0.00 -0.55 0.00 0.00 56.30 56.44 3i5h h ASN 301 Cb 0.41 0.05 -0.06 0.00 0.05 0.00 0.00 38.32 38.77 3i5h h ASN 301 CO -0.72 0.01 1.15 0.40 -1.65 0.00 0.00 177.43 176.62 3i5h h ILE 302 N 0.09 0.17 0.00 2.81 2.04 0.58 1.29 117.51 124.49 3i5h h ILE 302 Ca 0.08 0.00 -0.32 0.00 1.00 0.00 0.00 64.86 65.62 3i5h h ILE 302 Cb 0.09 0.18 -0.06 0.00 -0.74 0.00 0.00 36.82 36.29 3i5h h ILE 302 CO -0.13 0.00 -2.08 -0.62 0.00 0.00 0.00 178.15 175.32 3i5h n GLU 303 N -3.92 0.66 -0.24 2.37 -0.58 -0.14 -0.88 120.64 117.91 3i5h n GLU 303 Ca 0.33 0.11 -0.08 0.00 -0.42 0.00 0.00 57.16 57.10 3i5h n GLU 303 Cb 1.61 -1.63 0.04 0.00 -0.57 0.00 0.00 31.44 30.89 3i5h n GLU 303 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3i5h h LYS 304 N 0.00 1.08 0.00 3.49 1.57 0.27 -2.16 116.57 120.82 3i5h h LYS 304 Ca -0.42 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.08 3i5h h LYS 304 Cb 2.10 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 34.27 3i5h h LYS 304 CO 0.05 0.97 -0.06 0.82 -0.57 0.00 0.00 179.45 180.66 3i5h h ILE 305 N 1.01 0.28 -2.07 1.86 2.04 0.10 -3.47 117.51 117.26 3i5h h ILE 305 Ca 0.21 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.60 3i5h h ILE 305 Cb 0.38 1.32 0.02 0.00 -0.74 0.00 0.00 36.82 37.80 3i5h h ILE 305 CO 0.00 0.06 -0.10 0.18 0.00 0.00 0.00 178.15 178.29 3i5h n LEU 306 N -3.35 -2.24 -4.16 1.44 4.77 -0.81 -4.76 117.00 107.88 3i5h n LEU 306 Ca -0.01 -0.08 -0.10 0.00 -0.03 0.00 0.00 56.01 55.78 3i5h n LEU 306 Cb 0.22 -0.86 -0.10 0.00 -2.33 0.00 0.00 43.42 40.35 3i5h n LEU 306 CO 0.27 0.07 -0.29 0.00 -1.33 0.00 0.00 177.39 176.12 3i5h s ALA 307 N -3.05 0.95 -0.15 -1.18 0.00 -0.06 -5.03 121.76 113.24 3i5h s ALA 307 Ca 0.04 -1.52 0.02 0.00 0.00 0.00 0.00 51.96 50.50 3i5h s ALA 307 Cb -0.02 0.94 0.01 0.00 0.00 0.00 0.00 23.12 24.05 3i5h s ALA 307 CO 0.10 -0.50 -0.20 0.14 0.00 0.00 0.00 175.76 175.31 3i5h s VAL 308 N -4.04 2.22 0.00 0.00 -7.23 -1.26 -4.24 120.40 105.84 3i5h s VAL 308 Ca 0.27 -0.92 0.00 0.00 -1.81 0.00 0.00 61.98 59.52 3i5h s VAL 308 Cb 0.07 -1.91 0.00 0.00 0.56 0.00 0.00 36.38 35.11 3i5h s VAL 308 CO 0.04 0.54 0.00 -0.81 -0.31 0.00 0.00 175.10 174.56 3i5h n PRO 309 N 4.14 0.00 -3.90 4.82 -0.04 -1.26 -4.42 135.00 134.34 3i5h n PRO 309 Ca -0.20 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.96 3i5h n PRO 309 Cb 0.51 -0.74 -0.13 0.00 -0.04 0.00 0.00 33.50 33.11 3i5h n PRO 309 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3i5h s ASP 310 N 0.48 4.64 0.23 3.54 -1.08 -1.26 -4.78 116.67 118.43 3i5h s ASP 310 Ca 0.00 -3.32 -0.11 0.00 -0.52 0.00 0.00 52.55 48.61 3i5h s ASP 310 Cb 0.00 -1.67 0.32 0.00 -1.46 0.00 0.00 42.92 40.11 3i5h s ASP 310 CO 0.00 -0.19 1.63 1.55 0.52 0.00 0.00 175.17 178.68 3i5h h PRO 311 N 6.15 0.05 -0.10 4.34 0.13 -1.84 -1.62 132.00 139.11 3i5h h PRO 311 Ca 0.01 -0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.17 3i5h h PRO 311 Cb 0.85 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 3i5h h PRO 311 CO 0.71 0.03 0.64 0.78 -0.23 0.00 0.00 178.00 179.93 3i5h h GLY 312 N 0.05 0.00 -2.62 1.56 0.00 -1.95 -2.95 103.07 97.17 3i5h h GLY 312 Ca 0.35 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.59 3i5h h GLY 312 CO -0.65 0.00 0.12 1.04 0.00 0.00 0.00 176.54 177.05 3i5h n LEU 313 N -2.84 4.36 -3.37 3.11 4.77 -0.61 -4.65 117.00 117.77 3i5h n LEU 313 Ca 0.01 -2.15 -0.12 0.00 -0.03 0.00 0.00 56.01 53.73 3i5h n LEU 313 Cb 0.69 -0.75 -0.08 0.00 -2.33 0.00 0.00 43.42 40.95 3i5h n LEU 313 CO 0.10 0.76 -0.10 -0.31 -1.33 0.00 0.00 177.39 176.52 3i5h s TYR 314 N -0.56 -0.74 0.66 -1.77 1.51 -1.12 -5.03 117.35 110.31 3i5h s TYR 314 Ca 0.10 0.48 0.18 0.00 -1.01 0.00 0.00 57.07 56.81 3i5h s TYR 314 Cb 0.08 -0.15 0.97 0.00 -0.11 0.00 0.00 41.96 42.75 3i5h s TYR 314 CO 0.01 -0.80 1.55 0.78 -1.11 0.00 0.00 175.55 175.98 3i5h h GLY 315 N 8.21 0.00 0.96 0.71 0.00 -1.83 0.58 103.07 111.70 3i5h h GLY 315 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.17 3i5h h GLY 315 CO 0.28 0.00 -0.16 0.69 0.00 0.00 0.00 176.54 177.35 3i5h n PHE 316 N -2.74 0.00 0.00 5.60 0.99 -1.26 -3.92 117.46 116.13 3i5h n PHE 316 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.44 3i5h n PHE 316 Cb 0.64 -0.22 0.00 0.00 -1.00 0.00 0.00 39.48 38.90 3i5h n PHE 316 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 3i5h n ILE 317 N -1.05 0.00 0.75 4.37 5.41 0.19 -4.53 119.36 124.51 3i5h n ILE 317 Ca 0.12 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.99 3i5h n ILE 317 Cb 0.30 -0.53 0.49 0.00 -0.71 0.00 0.00 39.64 39.19 3i5h n ILE 317 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3i5h n ASN 318 N -2.23 0.21 -0.34 4.38 0.23 -0.53 -3.90 115.26 113.08 3i5h n ASN 318 Ca 0.00 0.53 0.23 0.00 -0.53 0.00 0.00 54.58 54.81 3i5h n ASN 318 Cb 0.43 -0.58 0.46 0.00 -2.08 0.00 0.00 39.78 38.01 3i5h n ASN 318 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3i5h h GLN 319 N 0.00 0.37 0.00 -3.83 4.20 -1.82 -3.40 115.11 110.63 3i5h h GLN 319 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3i5h h GLN 319 Cb 0.47 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3i5h h GLN 319 CO 0.00 0.24 0.00 0.41 -0.67 0.00 0.00 178.83 178.81 3i5h n GLY 320 N -1.31 0.52 3.54 3.46 0.00 -1.25 -4.08 105.19 106.06 3i5h n GLY 320 Ca 0.31 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.14 3i5h n GLY 320 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i5h n THR 321 N 0.00 0.00 -0.12 2.61 -1.04 -0.38 -4.82 114.28 110.54 3i5h n THR 321 Ca 0.00 -1.68 -0.24 0.00 -2.04 0.00 0.00 64.05 60.09 3i5h n THR 321 Cb 0.00 -0.65 -0.08 0.00 -1.82 0.00 0.00 70.33 67.78 3i5h n THR 321 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3i5h n LEU 322 N 0.00 1.74 -4.11 -4.42 4.77 -1.26 -4.78 117.00 108.94 3i5h n LEU 322 Ca 0.15 0.30 -0.11 0.00 -0.03 0.00 0.00 56.01 56.32 3i5h n LEU 322 Cb 0.54 -0.72 -0.08 0.00 -2.33 0.00 0.00 43.42 40.83 3i5h n LEU 322 CO 0.35 0.40 -0.10 0.42 -1.33 0.00 0.00 177.39 177.14 3i5h s THR 323 N -2.49 0.02 0.27 -5.08 -4.23 -1.26 -5.02 115.64 97.84 3i5h s THR 323 Ca -0.33 -1.75 0.10 0.00 -1.18 0.00 0.00 61.69 58.53 3i5h s THR 323 Cb 0.12 -2.29 -0.05 0.00 1.34 0.00 0.00 72.50 71.63 3i5h s THR 323 CO 0.42 -0.08 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.65 3i5h s VAL 324 N -4.08 3.10 -0.12 2.29 1.01 -1.26 -5.09 120.40 116.24 3i5h s VAL 324 Ca 0.30 -2.09 -0.30 0.00 0.00 0.00 0.00 61.98 59.90 3i5h s VAL 324 Cb 0.04 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 3i5h s VAL 324 CO 0.09 -0.38 1.29 -1.81 0.00 0.00 0.00 175.10 174.28 3i5h s ASP 325 N -3.60 6.94 0.00 3.32 1.01 -1.26 -3.24 116.67 119.84 3i5h s ASP 325 Ca 0.31 1.80 0.00 0.00 0.71 0.00 0.00 52.55 55.36 3i5h s ASP 325 Cb -0.06 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.33 3i5h s ASP 325 CO 0.18 -0.72 0.00 0.61 0.21 0.00 0.00 175.17 175.45 3i5h n GLY 326 N 3.59 0.88 2.70 0.21 0.00 -1.26 -5.07 105.19 106.24 3i5h n GLY 326 Ca 0.13 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 3i5h n GLY 326 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i5h s ILE 327 N -2.40 0.05 -1.02 -0.61 2.07 -1.20 -5.07 121.20 113.03 3i5h s ILE 327 Ca 0.00 0.31 -0.05 0.00 -1.41 0.00 0.00 60.65 59.51 3i5h s ILE 327 Cb 0.00 -0.29 0.27 0.00 0.13 0.00 0.00 42.46 42.57 3i5h s ILE 327 CO 0.00 0.20 1.07 -0.67 -1.91 0.00 0.00 174.94 173.62 3i5h n ASP 328 N 5.25 5.19 0.00 4.50 -0.08 -1.26 -4.77 116.55 125.38 3i5h n ASP 328 Ca -0.04 -3.17 0.00 0.00 -1.51 0.00 0.00 54.79 50.07 3i5h n ASP 328 Cb 0.50 -1.22 0.00 0.00 2.34 0.00 0.00 41.12 42.74 3i5h n ASP 328 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3i5h n ASP 329 N 2.19 0.00 0.00 1.67 8.00 -1.26 -1.72 116.55 125.43 3i5h n ASP 329 Ca 0.24 0.28 0.00 0.00 0.71 0.00 0.00 54.79 56.02 3i5h n ASP 329 Cb 0.37 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 3i5h n ASP 329 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3i5h n GLU 330 N -1.22 0.00 -0.27 -1.24 1.02 -1.26 0.22 120.64 117.89 3i5h n GLU 330 Ca 0.00 0.00 0.27 0.00 -0.02 0.00 0.00 57.16 57.41 3i5h n GLU 330 Cb 0.00 -0.00 0.49 0.00 -0.02 0.00 0.00 31.44 31.91 3i5h n GLU 330 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3i5h n GLU 331 N -1.00 -0.05 0.01 3.49 2.13 -0.70 0.14 120.64 124.65 3i5h n GLU 331 Ca 0.00 1.13 -0.13 0.00 0.66 0.00 0.00 57.16 58.83 3i5h n GLU 331 Cb 0.00 -2.05 -0.10 0.00 0.27 0.00 0.00 31.44 29.57 3i5h n GLU 331 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3i5h h GLU 332 N 0.00 -0.05 -0.07 5.31 4.39 0.27 -0.68 114.58 123.75 3i5h h GLU 332 Ca 0.70 0.00 0.02 0.00 0.34 0.00 0.00 59.36 60.43 3i5h h GLU 332 Cb 1.89 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 30.54 3i5h h GLU 332 CO -0.62 0.42 0.44 1.98 -1.16 0.00 0.00 179.01 180.07 3i5h h MET 333 N -0.55 0.00 0.00 2.33 4.05 0.18 0.13 114.93 121.08 3i5h h MET 333 Ca -0.01 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 3i5h h MET 333 Cb 0.50 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 3i5h h MET 333 CO 0.01 0.00 0.00 0.41 0.23 0.00 0.00 176.91 177.56 3i5h n GLY 334 N -1.30 -0.18 0.39 1.39 0.00 0.26 -2.49 105.19 103.27 3i5h n GLY 334 Ca -0.00 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.29 3i5h n GLY 334 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i5h h LEU 335 N 0.00 0.43 0.59 0.99 3.38 -0.50 0.27 115.31 120.46 3i5h h LEU 335 Ca 0.00 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3i5h h LEU 335 Cb 0.00 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3i5h h LEU 335 CO 0.00 -0.06 -0.38 0.74 0.09 0.00 0.00 178.44 178.83 3i5h h THR 336 N 0.30 0.23 -0.72 0.22 2.02 -0.89 1.18 112.91 115.25 3i5h h THR 336 Ca 0.71 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.87 3i5h h THR 336 Cb 1.84 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 3i5h h THR 336 CO -0.45 0.00 0.39 -0.78 0.37 0.00 0.00 175.52 175.05 3i5h h ASP 337 N -0.92 0.89 -0.61 4.18 1.82 -0.39 0.86 116.42 122.26 3i5h h ASP 337 Ca -0.07 -0.08 -0.07 0.00 -0.39 0.00 0.00 57.03 56.43 3i5h h ASP 337 Cb 0.75 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.51 3i5h h ASP 337 CO 0.06 0.73 0.12 0.74 -1.61 0.00 0.00 179.24 179.28 3i5h h THR 338 N 1.01 1.26 0.00 2.25 2.02 -0.16 -2.56 112.91 116.72 3i5h h THR 338 Ca 0.25 -0.96 -0.09 0.00 0.77 0.00 0.00 66.41 66.39 3i5h h THR 338 Cb 0.04 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3i5h h THR 338 CO -0.04 0.36 -0.41 0.00 0.37 0.00 0.00 175.52 175.80 3i5h h ALA 339 N 1.03 1.29 0.00 6.16 0.00 0.23 -2.49 119.26 125.49 3i5h h ALA 339 Ca 0.19 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3i5h h ALA 339 Cb 0.39 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3i5h h ALA 339 CO 0.01 0.51 -0.02 0.74 0.00 0.00 0.00 179.25 180.48 3i5h h PHE 340 N 0.00 0.00 0.00 0.00 0.04 -0.43 -1.37 116.94 115.18 3i5h h PHE 340 Ca -0.00 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 3i5h h PHE 340 Cb 0.74 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.87 3i5h h PHE 340 CO 0.00 0.02 -1.64 -0.25 -0.60 0.00 0.00 178.31 175.85 3i5h n ASP 341 N -3.30 0.44 -0.07 2.17 9.92 -0.95 -2.03 116.55 122.73 3i5h n ASP 341 Ca -0.02 0.18 -0.12 0.00 -0.53 0.00 0.00 54.79 54.30 3i5h n ASP 341 Cb 0.15 0.99 -0.05 0.00 -0.64 0.00 0.00 41.12 41.57 3i5h n ASP 341 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3i5h h VAL 342 N 0.00 1.29 0.00 2.53 2.07 -1.11 0.60 116.25 121.62 3i5h h VAL 342 Ca -0.11 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.36 3i5h h VAL 342 Cb 1.31 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 3i5h h VAL 342 CO 0.02 0.32 0.00 -0.07 0.02 0.00 0.00 177.57 177.85 3i5h h LEU 343 N 0.11 0.00 -2.75 2.57 3.38 -1.54 -3.47 115.31 113.61 3i5h h LEU 343 Ca 0.05 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 3i5h h LEU 343 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3i5h h LEU 343 CO 0.02 0.00 -0.52 0.61 0.09 0.00 0.00 178.44 178.64 3i5h n GLY 344 N -0.16 -1.07 3.02 0.83 0.00 0.21 -4.92 105.19 103.10 3i5h n GLY 344 Ca 0.01 0.85 -0.21 0.00 0.00 0.00 0.00 46.02 46.68 3i5h n GLY 344 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i5h s PHE 345 N -2.65 1.03 0.00 1.61 0.40 -0.86 -4.97 117.98 112.53 3i5h s PHE 345 Ca 0.14 -0.25 0.00 0.00 -0.60 0.00 0.00 56.93 56.22 3i5h s PHE 345 Cb -0.03 -0.72 0.00 0.00 0.51 0.00 0.00 43.02 42.79 3i5h s PHE 345 CO 0.80 -0.09 0.00 2.41 0.70 0.00 0.00 175.22 179.04 3i5h n THR 346 N 3.21 0.00 0.26 0.64 -1.04 -1.26 -4.48 114.28 111.61 3i5h n THR 346 Ca -0.17 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.86 3i5h n THR 346 Cb 0.54 0.00 0.13 0.00 -1.82 0.00 0.00 70.33 69.18 3i5h n THR 346 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3i5h n ASP 347 N 0.00 0.00 -0.12 8.00 8.00 -1.26 0.54 116.55 131.71 3i5h n ASP 347 Ca 0.00 0.04 -0.25 0.00 0.71 0.00 0.00 54.79 55.29 3i5h n ASP 347 Cb 0.00 -0.15 -0.11 0.00 -0.02 0.00 0.00 41.12 40.84 3i5h n ASP 347 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3i5h n GLU 348 N -1.15 0.58 -0.01 -1.24 4.07 -1.26 -2.95 120.64 118.67 3i5h n GLU 348 Ca 0.03 0.46 -0.09 0.00 -0.06 0.00 0.00 57.16 57.50 3i5h n GLU 348 Cb 0.03 -1.65 -0.03 0.00 -0.06 0.00 0.00 31.44 29.73 3i5h n GLU 348 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 3i5h h GLU 349 N -0.98 -0.24 -1.48 5.31 5.08 -1.01 0.60 114.58 121.87 3i5h h GLU 349 Ca -0.48 0.02 0.43 0.00 -1.00 0.00 0.00 59.36 58.33 3i5h h GLU 349 Cb 1.43 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 30.66 3i5h h GLU 349 CO -0.29 -0.16 1.05 -0.22 -1.00 0.00 0.00 179.01 178.39 3i5h h LYS 350 N -0.24 0.03 0.00 2.33 3.64 -0.05 0.31 116.57 122.59 3i5h h LYS 350 Ca 0.11 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3i5h h LYS 350 Cb 0.40 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3i5h h LYS 350 CO -0.30 0.02 0.00 -0.11 -2.27 0.00 0.00 179.45 176.79 3i5h n LEU 351 N -4.17 0.17 -0.26 5.20 7.94 0.19 -2.58 117.00 123.50 3i5h n LEU 351 Ca 0.34 0.63 -0.00 0.00 -1.11 0.00 0.00 56.01 55.86 3i5h n LEU 351 Cb 1.52 -0.46 0.03 0.00 0.53 0.00 0.00 43.42 45.05 3i5h n LEU 351 CO 0.39 -0.46 0.40 -1.20 -1.11 0.00 0.00 177.39 175.41 3i5h n SER 352 N -1.87 -0.43 -0.01 1.96 7.64 0.60 0.14 113.62 121.65 3i5h n SER 352 Ca 0.00 1.18 -0.13 0.00 1.01 0.00 0.00 58.87 60.92 3i5h n SER 352 Cb 0.00 -0.27 -0.09 0.00 -1.01 0.00 0.00 64.21 62.84 3i5h n SER 352 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 3i5h h MET 353 N 0.00 -0.48 0.22 1.43 1.85 -0.66 0.38 114.93 117.67 3i5h h MET 353 Ca 0.24 0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 59.36 3i5h h MET 353 Cb 0.41 0.11 -0.02 0.00 0.43 0.00 0.00 31.60 32.53 3i5h h MET 353 CO -0.67 -0.32 -0.35 1.88 -0.40 0.00 0.00 176.91 177.05 3i5h h TYR 354 N -0.50 -0.99 -0.96 1.39 0.99 0.15 -0.52 116.97 116.53 3i5h h TYR 354 Ca 0.03 0.02 0.16 0.00 2.00 0.00 0.00 58.73 60.93 3i5h h TYR 354 Cb 0.59 0.40 -0.16 0.00 1.00 0.00 0.00 36.73 38.56 3i5h h TYR 354 CO -0.58 -0.43 -0.35 1.63 -0.00 0.00 0.00 178.16 178.43 3i5h n LYS 355 N -4.47 -0.20 -0.10 4.88 5.02 0.11 0.23 118.16 123.64 3i5h n LYS 355 Ca -0.07 1.48 -0.07 0.00 -2.02 0.00 0.00 58.31 57.62 3i5h n LYS 355 Cb 0.30 -2.19 -0.01 0.00 -0.02 0.00 0.00 35.03 33.10 3i5h n LYS 355 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i5h h THR 357 N -0.24 0.41 -0.52 0.00 2.02 0.45 -0.22 112.91 114.80 3i5h h THR 357 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.35 3i5h h THR 357 Cb 0.51 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 3i5h h THR 357 CO -0.49 0.00 0.33 1.23 0.37 0.00 0.00 175.52 176.96 3i5h h GLY 358 N -0.08 0.75 -0.10 2.16 0.00 0.28 -1.37 103.07 104.70 3i5h h GLY 358 Ca 0.22 -0.29 0.30 0.00 0.00 0.00 0.00 47.33 47.56 3i5h h GLY 358 CO -0.53 0.29 0.74 0.00 0.00 0.00 0.00 176.54 177.04 3i5h h ILE 360 N 0.08 0.81 0.00 0.00 2.04 -0.65 -2.27 117.51 117.52 3i5h h ILE 360 Ca 0.52 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 3i5h h ILE 360 Cb 1.90 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 39.47 3i5h h ILE 360 CO -0.06 0.21 -0.08 -0.07 0.00 0.00 0.00 178.15 178.14 3i5h h LEU 361 N 0.00 0.00 0.00 1.44 3.38 0.48 -3.23 115.31 117.38 3i5h h LEU 361 Ca -0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.63 3i5h h LEU 361 Cb 0.48 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 3i5h h LEU 361 CO 0.03 0.08 -2.12 1.41 0.09 0.00 0.00 178.44 177.93 3i5h n HIS 362 N -3.19 0.39 0.33 1.13 8.25 -0.88 -4.06 115.22 117.19 3i5h n HIS 362 Ca 0.01 0.14 0.22 0.00 -0.26 0.00 0.00 57.72 57.83 3i5h n HIS 362 Cb 0.38 -1.07 1.11 0.00 1.12 0.00 0.00 29.99 31.53 3i5h n HIS 362 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3i5h h LEU 363 N 0.00 0.00 0.00 2.41 3.38 -1.52 0.48 115.31 120.06 3i5h h LEU 363 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3i5h h LEU 363 Cb 2.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.89 3i5h h LEU 363 CO 0.05 0.00 -0.51 1.23 0.09 0.00 0.00 178.44 179.30 3i5h h GLY 364 N 0.46 0.00 0.87 0.83 0.00 -1.70 -3.35 103.07 100.18 3i5h h GLY 364 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 3i5h h GLY 364 CO 0.00 0.00 -1.80 0.83 0.00 0.00 0.00 176.54 175.57 3i5h h GLU 365 N 0.00 0.28 -6.08 4.80 4.39 -0.21 -3.43 114.58 114.32 3i5h h GLU 365 Ca 0.00 -0.47 -0.80 0.00 0.34 0.00 0.00 59.36 58.43 3i5h h GLU 365 Cb 0.77 0.18 0.01 0.00 -0.10 0.00 0.00 28.75 29.61 3i5h h GLU 365 CO 0.00 1.15 0.80 -1.33 -1.16 0.00 0.00 179.01 178.47 3i5h n MET 366 N -3.47 0.66 -3.18 2.33 2.81 -0.76 -4.94 117.12 110.57 3i5h n MET 366 Ca -0.25 0.24 -0.18 0.00 -1.81 0.00 0.00 57.70 55.70 3i5h n MET 366 Cb 1.06 -1.85 0.01 0.00 -0.71 0.00 0.00 33.22 31.73 3i5h n MET 366 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3i5h s LYS 367 N 3.23 2.95 0.17 0.03 3.01 -1.26 -5.05 119.74 122.82 3i5h s LYS 367 Ca 1.01 -1.06 -0.11 0.00 -1.01 0.00 0.00 55.97 54.80 3i5h s LYS 367 Cb -1.25 -2.76 -0.00 0.00 -1.01 0.00 0.00 37.83 32.81 3i5h s LYS 367 CO 0.72 -0.16 0.33 -1.58 0.51 0.00 0.00 175.35 175.18 3i5h s TRP 368 N -2.31 0.30 0.30 3.18 0.52 -1.26 -3.19 118.94 116.47 3i5h s TRP 368 Ca 0.50 -0.66 -0.13 0.00 0.02 0.00 0.00 56.10 55.84 3i5h s TRP 368 Cb -0.10 0.03 0.01 0.00 -1.15 0.00 0.00 33.47 32.27 3i5h s TRP 368 CO 0.33 -0.76 0.58 0.21 0.02 0.00 0.00 176.95 177.33 3i5h s LYS 369 N -3.95 1.80 0.02 4.98 2.47 -0.56 -4.85 119.74 119.65 3i5h s LYS 369 Ca 0.16 -1.35 -0.07 0.00 -1.56 0.00 0.00 55.97 53.15 3i5h s LYS 369 Cb 0.02 0.52 -0.00 0.00 -1.46 0.00 0.00 37.83 36.91 3i5h s LYS 369 CO -0.01 -0.78 0.14 1.14 0.16 0.00 0.00 175.35 176.00 3i5h s GLN 370 N -3.47 0.57 -0.31 4.03 -2.07 -1.26 0.60 119.66 117.75 3i5h s GLN 370 Ca 0.21 -0.57 -0.03 0.00 -1.82 0.00 0.00 55.36 53.15 3i5h s GLN 370 Cb -0.02 0.23 0.05 0.00 -1.09 0.00 0.00 33.01 32.18 3i5h s GLN 370 CO 0.11 -0.15 0.03 1.03 -1.32 0.00 0.00 175.29 174.99 3i5h s ARG 371 N -2.08 2.50 0.11 9.60 1.81 0.41 -4.87 118.95 126.44 3i5h s ARG 371 Ca -0.09 -1.23 0.00 0.00 -1.72 0.00 0.00 55.73 52.69 3i5h s ARG 371 Cb -0.04 -3.25 0.00 0.00 -0.45 0.00 0.00 34.95 31.21 3i5h s ARG 371 CO -0.02 -0.62 0.00 0.41 -0.68 0.00 0.00 175.30 174.39 3i5h n GLY 372 N 4.68 1.34 2.72 -3.53 0.00 -1.26 -2.37 105.19 106.77 3i5h n GLY 372 Ca -0.13 0.42 -0.08 0.00 0.00 0.00 0.00 46.02 46.22 3i5h n GLY 372 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i5h n GLU 373 N 0.00 1.03 -3.46 1.61 1.02 -1.26 -5.08 120.64 114.51 3i5h n GLU 373 Ca 0.00 -1.83 -0.02 0.00 -0.02 0.00 0.00 57.16 55.29 3i5h n GLU 373 Cb 0.00 -0.66 -0.04 0.00 -0.02 0.00 0.00 31.44 30.72 3i5h n GLU 373 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3i5h s GLN 374 N 0.24 0.51 0.28 3.49 2.00 -1.00 -4.62 119.66 120.55 3i5h s GLN 374 Ca 0.22 1.14 -0.19 0.00 -2.00 0.00 0.00 55.36 54.53 3i5h s GLN 374 Cb 0.32 0.53 -0.09 0.00 0.80 0.00 0.00 33.01 34.58 3i5h s GLN 374 CO -0.07 -0.39 0.76 0.00 -0.50 0.00 0.00 175.29 175.09 3i5h s ALA 375 N 2.80 3.34 0.10 1.58 0.00 -1.25 -0.45 121.76 127.89 3i5h s ALA 375 Ca 0.05 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.19 3i5h s ALA 375 Cb -0.13 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 3i5h s ALA 375 CO -0.18 0.30 -0.02 -1.83 0.00 0.00 0.00 175.76 174.03 3i5h s GLU 376 N -2.39 0.84 0.91 0.00 -1.05 0.20 -4.84 118.70 112.37 3i5h s GLU 376 Ca 0.49 -1.36 -0.10 0.00 -0.15 0.00 0.00 54.97 53.84 3i5h s GLU 376 Cb -0.14 -0.03 0.14 0.00 -0.44 0.00 0.00 34.13 33.66 3i5h s GLU 376 CO 0.19 -0.10 1.14 0.00 0.95 0.00 0.00 175.26 177.44 3i5h n ALA 377 N -0.05 -0.80 -2.60 -0.84 0.00 -1.26 -1.50 120.51 113.46 3i5h n ALA 377 Ca -0.10 -0.54 -0.12 0.00 0.00 0.00 0.00 53.44 52.67 3i5h n ALA 377 Cb 0.62 -2.19 0.03 0.00 0.00 0.00 0.00 19.45 17.90 3i5h n ALA 377 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i5h n ASP 378 N -4.13 2.47 0.00 0.00 -0.08 -1.19 -4.62 116.55 108.99 3i5h n ASP 378 Ca 0.12 -2.88 0.00 0.00 -1.51 0.00 0.00 54.79 50.52 3i5h n ASP 378 Cb 0.52 -0.49 0.00 0.00 2.34 0.00 0.00 41.12 43.49 3i5h n ASP 378 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i5h n GLY 379 N -0.32 -0.30 0.00 0.27 0.00 -1.26 -4.66 105.19 98.92 3i5h n GLY 379 Ca 0.18 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.80 3i5h n GLY 379 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i5h n THR 380 N 9.00 0.00 0.09 2.61 -1.04 -1.26 -4.95 114.28 118.73 3i5h n THR 380 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 3i5h n THR 380 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 3i5h n THR 380 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i5h h ALA 381 N 0.00 -0.30 -0.09 2.41 0.00 -1.99 -1.74 119.26 117.55 3i5h h ALA 381 Ca 0.00 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.75 3i5h h ALA 381 Cb 0.07 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 3i5h h ALA 381 CO 0.00 -0.37 -0.28 0.93 0.00 0.00 0.00 179.25 179.53 3i5h h GLU 382 N -0.89 -0.35 -0.47 0.00 3.07 -1.93 0.19 114.58 114.18 3i5h h GLU 382 Ca -0.03 0.02 0.05 0.00 -0.50 0.00 0.00 59.36 58.90 3i5h h GLU 382 Cb 0.50 0.08 -0.07 0.00 -0.84 0.00 0.00 28.75 28.42 3i5h h GLU 382 CO 0.05 -0.24 -0.43 0.00 -1.40 0.00 0.00 179.01 176.99 3i5h h ALA 383 N 0.50 -0.57 -0.41 3.43 0.00 -1.91 0.42 119.26 120.72 3i5h h ALA 383 Ca 0.09 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3i5h h ALA 383 Cb 0.50 1.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 3i5h h ALA 383 CO -0.30 -0.82 0.27 1.05 0.00 0.00 0.00 179.25 179.45 3i5h h GLU 384 N -0.19 0.44 -0.15 0.00 4.11 -0.82 1.30 114.58 119.27 3i5h h GLU 384 Ca 0.08 -0.03 0.02 0.00 0.07 0.00 0.00 59.36 59.50 3i5h h GLU 384 Cb 0.40 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3i5h h GLU 384 CO -0.55 0.29 0.01 0.87 0.07 0.00 0.00 179.01 179.70 3i5h h LYS 385 N 0.45 0.06 -0.21 1.06 1.57 0.28 1.07 116.57 120.86 3i5h h LYS 385 Ca 0.16 -0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.73 3i5h h LYS 385 Cb 0.09 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.39 3i5h h LYS 385 CO -0.04 0.04 -0.67 -0.39 -0.57 0.00 0.00 179.45 177.82 3i5h h VAL 386 N 0.06 1.28 -0.84 0.50 -1.51 0.52 -1.23 116.25 115.03 3i5h h VAL 386 Ca 0.07 -1.86 0.12 0.00 -1.23 0.00 0.00 66.70 63.80 3i5h h VAL 386 Cb 0.08 1.85 -0.08 0.00 -2.13 0.00 0.00 31.29 31.00 3i5h h VAL 386 CO -0.11 0.60 0.46 0.00 -1.23 0.00 0.00 177.57 177.28 3i5h h ALA 387 N 0.60 1.23 0.14 5.19 0.00 0.23 -1.89 119.26 124.75 3i5h h ALA 387 Ca -0.03 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3i5h h ALA 387 Cb 1.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3i5h h ALA 387 CO 0.14 0.00 -0.07 0.35 0.00 0.00 0.00 179.25 179.68 3i5h h PHE 388 N 0.71 -0.17 -1.85 0.00 3.57 0.13 0.10 116.94 119.42 3i5h h PHE 388 Ca 0.43 -0.00 0.54 0.00 3.53 0.00 0.00 57.97 62.47 3i5h h PHE 388 Cb 0.51 0.06 -0.08 0.00 2.79 0.00 0.00 35.95 39.23 3i5h h PHE 388 CO -0.08 -0.11 1.33 -0.07 -2.23 0.00 0.00 178.31 177.16 3i5h h LEU 389 N -0.97 0.01 0.05 0.59 3.38 -1.17 1.36 115.31 118.57 3i5h h LEU 389 Ca -0.02 0.01 -0.33 0.00 0.09 0.00 0.00 57.88 57.63 3i5h h LEU 389 Cb 0.14 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3i5h h LEU 389 CO 0.03 -0.01 -1.88 0.18 0.09 0.00 0.00 178.44 176.84 3i5h n LEU 390 N -4.01 1.67 -0.47 1.67 4.77 -0.72 -4.82 117.00 115.09 3i5h n LEU 390 Ca 0.42 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 3i5h n LEU 390 Cb 1.90 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 42.58 3i5h n LEU 390 CO 0.43 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 3i5h n GLY 391 N 1.78 0.69 3.45 -0.72 0.00 0.47 -4.51 105.19 106.35 3i5h n GLY 391 Ca -0.25 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 3i5h n GLY 391 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i5h s VAL 392 N -2.07 0.01 -0.37 1.61 1.01 -0.10 -4.14 120.40 116.35 3i5h s VAL 392 Ca 0.00 -1.58 -0.16 0.00 0.00 0.00 0.00 61.98 60.24 3i5h s VAL 392 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 34.12 3i5h s VAL 392 CO 0.00 -0.03 0.39 0.20 0.00 0.00 0.00 175.10 175.66 3i5h s ASN 393 N -3.06 6.18 0.12 3.32 0.01 -1.26 -4.30 114.94 115.96 3i5h s ASN 393 Ca 0.27 -0.41 -0.12 0.00 -0.71 0.00 0.00 52.86 51.88 3i5h s ASN 393 Cb 0.02 -2.21 0.09 0.00 0.41 0.00 0.00 41.25 39.57 3i5h s ASN 393 CO 0.09 -0.43 0.91 0.00 -1.51 0.00 0.00 177.10 176.16 3i5h n ALA 394 N 5.45 -0.16 -0.10 0.60 0.00 -1.26 -0.78 120.51 124.27 3i5h n ALA 394 Ca -0.08 0.56 -0.05 0.00 0.00 0.00 0.00 53.44 53.86 3i5h n ALA 394 Cb 0.49 -0.21 -0.04 0.00 0.00 0.00 0.00 19.45 19.68 3i5h n ALA 394 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i5h h GLY 395 N 0.00 -1.69 0.01 0.00 0.00 -1.98 0.37 103.07 99.79 3i5h h GLY 395 Ca 0.17 0.86 0.12 0.00 0.00 0.00 0.00 47.33 48.48 3i5h h GLY 395 CO -0.57 -0.52 -0.01 -0.55 0.00 0.00 0.00 176.54 174.89 3i5h h ASP 396 N -0.11 -0.26 0.11 0.19 3.32 -1.38 0.25 116.42 118.54 3i5h h ASP 396 Ca 0.04 0.14 0.01 0.00 0.02 0.00 0.00 57.03 57.24 3i5h h ASP 396 Cb 0.22 0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 3i5h h ASP 396 CO -0.29 -0.10 -0.46 0.25 -1.72 0.00 0.00 179.24 176.92 3i5h h LEU 397 N 0.11 -1.37 -1.47 1.55 5.85 -0.22 0.96 115.31 120.72 3i5h h LEU 397 Ca 0.30 0.14 0.14 0.00 0.84 0.00 0.00 57.88 59.30 3i5h h LEU 397 Cb 0.47 0.51 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 3i5h h LEU 397 CO -0.49 -0.48 0.53 -0.07 -0.34 0.00 0.00 178.44 177.58 3i5h h LEU 398 N -0.65 0.49 0.58 2.25 3.38 0.33 1.99 115.31 123.68 3i5h h LEU 398 Ca -0.01 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3i5h h LEU 398 Cb 0.66 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.34 3i5h h LEU 398 CO -0.24 0.26 -0.28 0.11 0.09 0.00 0.00 178.44 178.37 3i5h h LYS 399 N 0.53 -0.75 0.00 1.13 1.79 0.13 1.43 116.57 120.83 3i5h h LYS 399 Ca 0.39 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.92 3i5h h LYS 399 Cb 0.78 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 3i5h h LYS 399 CO -0.15 -0.50 0.00 0.00 -1.08 0.00 0.00 179.45 177.72 3i5h h LEU 401 N 0.00 0.01 0.04 0.00 3.38 0.36 -3.36 115.31 115.74 3i5h h LEU 401 Ca 0.00 -0.62 -0.26 0.00 0.09 0.00 0.00 57.88 57.09 3i5h h LEU 401 Cb 0.13 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3i5h h LEU 401 CO 0.00 1.40 -1.33 -0.07 0.09 0.00 0.00 178.44 178.53 3i5h h LEU 402 N -0.98 0.14 -6.12 1.67 3.38 0.23 -3.45 115.31 110.18 3i5h h LEU 402 Ca -0.28 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.40 3i5h h LEU 402 Cb 1.26 -0.05 -0.24 0.00 0.09 0.00 0.00 40.66 41.73 3i5h h LEU 402 CO -0.16 1.15 -0.48 -1.59 0.09 0.00 0.00 178.44 177.45 3i5h s LYS 403 N -2.65 0.62 0.65 1.13 -2.85 0.68 -4.59 119.74 112.73 3i5h s LYS 403 Ca -0.03 -0.01 -0.02 0.00 -1.00 0.00 0.00 55.97 54.91 3i5h s LYS 403 Cb 0.08 -0.07 0.07 0.00 -2.06 0.00 0.00 37.83 35.86 3i5h s LYS 403 CO 0.83 -1.11 0.92 -1.25 0.10 0.00 0.00 175.35 174.84 3i5h s PRO 404 N 2.25 2.13 -0.06 1.78 0.04 -1.17 -3.87 135.00 136.11 3i5h s PRO 404 Ca 0.13 -0.72 0.00 0.00 0.04 0.00 0.00 61.00 60.45 3i5h s PRO 404 Cb -0.09 -2.33 0.02 0.00 0.04 0.00 0.00 34.50 32.13 3i5h s PRO 404 CO -0.18 -1.13 -0.04 0.15 0.04 0.00 0.00 177.00 175.84 3i5h s LYS 405 N -5.04 0.90 0.00 4.56 1.02 -1.26 -1.75 119.74 118.16 3i5h s LYS 405 Ca 0.61 -0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.51 3i5h s LYS 405 Cb -0.09 -0.97 0.00 0.00 -0.52 0.00 0.00 37.83 36.25 3i5h s LYS 405 CO 0.42 -0.14 0.00 -0.89 -0.92 0.00 0.00 175.35 173.82 3i5h n ILE 406 N 4.36 0.00 -1.25 2.17 5.41 0.34 -4.90 119.36 125.49 3i5h n ILE 406 Ca -0.20 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.55 3i5h n ILE 406 Cb 0.51 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.44 3i5h n ILE 406 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3i5h n LYS 407 N 0.00 0.00 0.00 0.38 5.02 -1.26 -3.12 118.16 119.18 3i5h n LYS 407 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i5h n LYS 407 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3i5h n LYS 407 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3i5h n VAL 408 N 0.00 0.00 0.00 -0.18 0.31 -1.26 -4.58 118.33 112.62 3i5h n VAL 408 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i5h n VAL 408 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i5h n VAL 408 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i5h n GLY 409 N 0.00 0.05 3.77 2.92 0.00 -1.26 -5.10 105.19 105.56 3i5h n GLY 409 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3i5h n GLY 409 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i5h s THR 410 N 0.00 2.03 -0.29 2.61 -4.23 -1.26 -5.13 115.64 109.36 3i5h s THR 410 Ca 0.00 -1.71 0.02 0.00 -1.18 0.00 0.00 61.69 58.82 3i5h s THR 410 Cb 0.00 -2.74 0.08 0.00 1.34 0.00 0.00 72.50 71.18 3i5h s THR 410 CO 0.00 0.00 0.02 -1.61 -0.54 0.00 0.00 174.62 172.49 3i5h s GLU 411 N -3.96 1.41 0.49 3.99 2.02 -1.25 -3.99 118.70 117.42 3i5h s GLU 411 Ca 0.35 -1.39 -0.09 0.00 0.02 0.00 0.00 54.97 53.86 3i5h s GLU 411 Cb 0.03 -2.72 -0.05 0.00 0.10 0.00 0.00 34.13 31.49 3i5h s GLU 411 CO 0.20 -0.82 0.85 -0.47 0.02 0.00 0.00 175.26 175.04 3i5h s TYR 412 N 1.23 3.54 -1.15 1.61 5.04 -1.18 -4.74 117.35 121.70 3i5h s TYR 412 Ca 0.04 1.05 -0.18 0.00 -2.44 0.00 0.00 57.07 55.54 3i5h s TYR 412 Cb -0.19 -2.48 0.11 0.00 0.35 0.00 0.00 41.96 39.75 3i5h s TYR 412 CO -0.11 -0.32 1.47 0.08 -1.34 0.00 0.00 175.55 175.33 3i5h s VAL 413 N -2.71 4.47 -1.10 3.14 1.01 -1.26 -0.50 120.40 123.45 3i5h s VAL 413 Ca 0.51 -1.85 0.00 0.00 0.00 0.00 0.00 61.98 60.65 3i5h s VAL 413 Cb -0.10 -5.01 0.00 0.00 0.00 0.00 0.00 36.38 31.27 3i5h s VAL 413 CO 0.41 -1.79 0.00 0.35 0.00 0.00 0.00 175.10 174.08 3i5h n THR 414 N 5.78 0.00 0.00 3.92 -2.24 -0.72 -4.07 114.28 116.96 3i5h n THR 414 Ca 0.37 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.15 3i5h n THR 414 Cb 0.47 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 3i5h n THR 414 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3i5h n GLN 415 N -0.18 0.00 -0.01 -0.78 7.27 -1.20 -3.94 117.38 118.53 3i5h n GLN 415 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 57.00 57.16 3i5h n GLN 415 Cb 0.00 -1.83 0.13 0.00 2.41 0.00 0.00 30.24 30.95 3i5h n GLN 415 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i5h n GLY 416 N -0.83 -0.31 2.22 1.69 0.00 -1.26 -4.61 105.19 102.08 3i5h n GLY 416 Ca 0.00 0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 3i5h n GLY 416 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i5h n ARG 417 N -1.93 0.00 -1.24 1.61 5.12 -1.25 -4.84 116.66 114.13 3i5h n ARG 417 Ca 0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 3i5h n ARG 417 Cb 0.63 -0.70 0.00 0.00 -1.16 0.00 0.00 32.46 31.23 3i5h n ARG 417 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 3i5h n ASN 418 N 1.97 0.00 -0.03 0.55 0.23 -1.26 -3.77 115.26 112.94 3i5h n ASN 418 Ca 0.03 -0.80 -0.14 0.00 -0.53 0.00 0.00 54.58 53.14 3i5h n ASN 418 Cb 0.35 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.94 3i5h n ASN 418 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3i5h h LYS 419 N 0.00 0.06 -0.02 -3.83 3.64 -1.89 -2.96 116.57 111.57 3i5h h LYS 419 Ca 0.00 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3i5h h LYS 419 Cb 0.00 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3i5h h LYS 419 CO 0.00 0.71 0.03 -0.44 -2.27 0.00 0.00 179.45 177.49 3i5h h ASP 420 N -0.57 0.00 0.83 4.20 3.32 -1.98 -1.83 116.42 120.38 3i5h h ASP 420 Ca -0.00 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.81 3i5h h ASP 420 Cb 0.72 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 3i5h h ASP 420 CO 0.01 0.00 -1.19 1.56 -1.72 0.00 0.00 179.24 177.90 3i5h h GLN 421 N 0.00 0.05 0.03 3.56 4.20 -1.96 -3.14 115.11 117.84 3i5h h GLN 421 Ca 0.01 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 3i5h h GLN 421 Cb 0.08 0.03 0.01 0.00 0.30 0.00 0.00 27.48 27.89 3i5h h GLN 421 CO -0.00 0.94 -0.20 -0.39 -0.67 0.00 0.00 178.83 178.50 3i5h h VAL 422 N 0.01 1.69 -0.44 -0.54 -1.51 -1.22 -1.73 116.25 112.52 3i5h h VAL 422 Ca -0.09 -2.30 0.08 0.00 -1.23 0.00 0.00 66.70 63.16 3i5h h VAL 422 Cb 1.85 3.24 -0.09 0.00 -2.13 0.00 0.00 31.29 34.16 3i5h h VAL 422 CO 0.13 0.61 -0.40 0.71 -1.23 0.00 0.00 177.57 177.39 3i5h h THR 423 N -0.79 0.14 0.14 7.19 1.35 -1.51 0.98 112.91 120.41 3i5h h THR 423 Ca -0.03 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.84 3i5h h THR 423 Cb 1.12 0.14 -0.03 0.00 -1.73 0.00 0.00 68.15 67.64 3i5h h THR 423 CO 0.04 0.00 -0.29 -1.13 -0.25 0.00 0.00 175.52 173.89 3i5h h ASN 424 N -0.29 -0.83 -0.68 5.36 -0.73 -1.63 -2.78 115.58 113.99 3i5h h ASN 424 Ca 0.16 0.09 0.12 0.00 1.87 0.00 0.00 56.30 58.54 3i5h h ASN 424 Cb 0.57 0.31 -0.13 0.00 0.27 0.00 0.00 38.32 39.35 3i5h h ASN 424 CO -0.59 -0.39 -0.32 0.28 -0.37 0.00 0.00 177.43 176.05 3i5h h SER 425 N -0.52 -1.12 -0.56 1.15 0.02 0.66 -1.04 113.55 112.14 3i5h h SER 425 Ca 0.03 0.24 0.04 0.00 -0.84 0.00 0.00 61.79 61.26 3i5h h SER 425 Cb 0.54 0.58 -0.04 0.00 0.14 0.00 0.00 62.40 63.62 3i5h h SER 425 CO -0.16 -0.29 0.31 0.40 -1.14 0.00 0.00 176.83 175.96 3i5h h ILE 426 N -0.11 1.00 0.13 3.27 2.04 0.98 -2.23 117.51 122.60 3i5h h ILE 426 Ca 0.27 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.94 3i5h h ILE 426 Cb 0.56 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 36.93 3i5h h ILE 426 CO -0.75 0.11 -0.52 0.00 0.00 0.00 0.00 178.15 177.00 3i5h h ALA 427 N 1.28 -0.97 -0.92 1.87 0.00 -0.97 -1.82 119.26 117.73 3i5h h ALA 427 Ca 0.24 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.13 3i5h h ALA 427 Cb 0.10 0.87 -0.11 0.00 0.00 0.00 0.00 17.79 18.65 3i5h h ALA 427 CO -0.14 -1.11 -0.52 0.00 0.00 0.00 0.00 179.25 177.47 3i5h n ALA 428 N -2.92 -0.54 -0.27 0.00 0.00 -0.56 -0.99 120.51 115.24 3i5h n ALA 428 Ca -0.08 0.80 -0.08 0.00 0.00 0.00 0.00 53.44 54.07 3i5h n ALA 428 Cb 0.41 -0.16 -0.04 0.00 0.00 0.00 0.00 19.45 19.66 3i5h n ALA 428 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3i5h h LEU 429 N 0.00 -1.64 -0.28 0.00 5.85 -0.77 0.19 115.31 118.66 3i5h h LEU 429 Ca 0.17 0.27 0.06 0.00 0.84 0.00 0.00 57.88 59.22 3i5h h LEU 429 Cb 0.40 0.75 -0.08 0.00 0.37 0.00 0.00 40.66 42.10 3i5h h LEU 429 CO -0.87 -0.31 -0.40 0.00 -0.34 0.00 0.00 178.44 176.52 3i5h h ALA 430 N 0.67 -0.44 -0.03 1.25 0.00 -0.54 0.78 119.26 120.95 3i5h h ALA 430 Ca 0.19 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3i5h h ALA 430 Cb 0.54 0.80 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 3i5h h ALA 430 CO -0.78 -0.86 -0.43 0.87 0.00 0.00 0.00 179.25 178.05 3i5h h LYS 431 N -0.38 -0.51 -0.91 0.00 1.57 0.07 0.76 116.57 117.17 3i5h h LYS 431 Ca 0.12 0.03 0.18 0.00 -1.87 0.00 0.00 60.65 59.11 3i5h h LYS 431 Cb 0.59 0.11 -0.11 0.00 0.08 0.00 0.00 32.23 32.91 3i5h h LYS 431 CO -0.48 -0.34 0.49 1.03 -0.57 0.00 0.00 179.45 179.58 3i5h h SER 432 N -0.52 0.57 -0.13 0.86 0.87 -0.04 0.53 113.55 115.68 3i5h h SER 432 Ca 0.01 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 3i5h h SER 432 Cb 0.57 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 3i5h h SER 432 CO -0.30 0.18 0.08 0.25 -0.53 0.00 0.00 176.83 176.51 3i5h h LEU 433 N 0.61 0.13 -1.26 2.23 5.85 0.27 -0.81 115.31 122.33 3i5h h LEU 433 Ca 0.53 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 59.28 3i5h h LEU 433 Cb 0.85 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 3i5h h LEU 433 CO -0.41 0.10 0.51 0.22 -0.34 0.00 0.00 178.44 178.52 3i5h h TYR 434 N 0.17 0.93 0.49 1.25 3.20 0.44 -1.16 116.97 122.29 3i5h h TYR 434 Ca 0.05 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 3i5h h TYR 434 Cb -0.01 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 37.95 3i5h h TYR 434 CO -0.08 0.56 -0.23 0.22 -1.64 0.00 0.00 178.16 176.98 3i5h h ASP 435 N 0.98 -0.55 -0.79 -2.11 3.58 0.46 -2.15 116.42 115.83 3i5h h ASP 435 Ca 0.30 0.02 0.18 0.00 0.42 0.00 0.00 57.03 57.95 3i5h h ASP 435 Cb -0.00 0.14 -0.14 0.00 1.72 0.00 0.00 39.33 41.05 3i5h h ASP 435 CO -0.08 -0.17 0.04 0.03 -2.88 0.00 0.00 179.24 176.18 3i5h h ARG 436 N -1.11 0.11 -0.12 0.28 3.08 -1.13 0.15 114.38 115.64 3i5h h ARG 436 Ca -0.07 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.01 3i5h h ARG 436 Cb 0.50 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.46 3i5h h ARG 436 CO 0.11 0.07 -0.52 0.52 -1.07 0.00 0.00 179.97 179.08 3i5h h MET 437 N 0.11 -0.56 -0.49 0.04 2.86 -1.19 0.39 114.93 116.09 3i5h h MET 437 Ca 0.44 0.04 0.06 0.00 -2.06 0.00 0.00 59.70 58.18 3i5h h MET 437 Cb 0.80 0.13 -0.05 0.00 0.06 0.00 0.00 31.60 32.53 3i5h h MET 437 CO -0.68 -0.37 0.19 0.35 1.06 0.00 0.00 176.91 177.46 3i5h h PHE 438 N -0.58 0.34 0.29 -0.22 3.57 -0.09 0.19 116.94 120.43 3i5h h PHE 438 Ca 0.04 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3i5h h PHE 438 Cb 0.68 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 3i5h h PHE 438 CO -0.56 0.12 -0.51 -0.91 -2.23 0.00 0.00 178.31 174.23 3i5h h ASN 439 N 0.38 -1.46 0.00 0.41 2.35 -0.62 -1.64 115.58 114.99 3i5h h ASN 439 Ca 0.23 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 3i5h h ASN 439 Cb 0.23 0.52 0.00 0.00 0.05 0.00 0.00 38.32 39.11 3i5h h ASN 439 CO -0.22 -0.60 0.00 1.87 -1.65 0.00 0.00 177.43 176.83 3i5h n TRP 440 N -5.52 0.00 -0.17 1.19 -0.00 0.09 -0.73 117.44 112.30 3i5h n TRP 440 Ca -0.10 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.51 3i5h n TRP 440 Cb 0.43 -0.50 0.21 0.00 -0.00 0.00 0.00 31.31 31.45 3i5h n TRP 440 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 3i5h n LEU 441 N -2.75 0.03 0.32 5.87 7.94 0.55 0.13 117.00 129.10 3i5h n LEU 441 Ca 0.00 0.87 -0.14 0.00 -1.11 0.00 0.00 56.01 55.63 3i5h n LEU 441 Cb 0.00 -0.36 -0.07 0.00 0.53 0.00 0.00 43.42 43.52 3i5h n LEU 441 CO 0.00 -0.92 0.39 0.58 -1.11 0.00 0.00 177.39 176.33 3i5h h VAL 442 N 0.00 0.09 -0.76 1.96 2.07 0.05 -2.93 116.25 116.74 3i5h h VAL 442 Ca 0.36 -0.35 0.17 0.00 0.82 0.00 0.00 66.70 67.69 3i5h h VAL 442 Cb 0.83 0.13 -0.14 0.00 -1.52 0.00 0.00 31.29 30.58 3i5h h VAL 442 CO -0.46 0.01 -0.14 0.54 0.02 0.00 0.00 177.57 177.55 3i5h n ARG 443 N -5.36 -0.07 -0.20 1.57 1.74 0.36 0.25 116.66 114.95 3i5h n ARG 443 Ca -0.11 1.17 -0.07 0.00 -0.77 0.00 0.00 57.85 58.06 3i5h n ARG 443 Cb 0.35 -1.77 0.03 0.00 -1.02 0.00 0.00 32.46 30.05 3i5h n ARG 443 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3i5h h ARG 444 N 0.00 0.81 -0.17 5.56 9.65 -1.38 -1.42 114.38 127.43 3i5h h ARG 444 Ca 0.39 -0.10 -0.07 0.00 -1.10 0.00 0.00 59.98 59.10 3i5h h ARG 444 Cb 0.65 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.06 3i5h h ARG 444 CO -0.76 0.62 -0.20 -0.39 2.80 0.00 0.00 179.97 182.04 3i5h h VAL 445 N 0.78 1.22 -0.54 0.20 -1.51 -0.01 0.04 116.25 116.44 3i5h h VAL 445 Ca 0.20 -1.03 -0.04 0.00 -1.23 0.00 0.00 66.70 64.61 3i5h h VAL 445 Cb 0.05 1.32 -0.02 0.00 -2.13 0.00 0.00 31.29 30.51 3i5h h VAL 445 CO -0.03 0.32 0.19 0.78 -1.23 0.00 0.00 177.57 177.60 3i5h h ASN 446 N 0.26 0.77 -0.79 4.19 2.35 -0.48 0.11 115.58 122.00 3i5h h ASN 446 Ca 0.05 -0.19 0.04 0.00 -0.55 0.00 0.00 56.30 55.65 3i5h h ASN 446 Cb 0.51 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.63 3i5h h ASN 446 CO 0.03 0.75 0.49 1.56 -1.65 0.00 0.00 177.43 178.62 3i5h h GLN 447 N 0.74 0.92 -0.88 0.81 4.20 -0.28 1.17 115.11 121.80 3i5h h GLN 447 Ca 0.18 -0.06 0.15 0.00 0.06 0.00 0.00 58.65 58.98 3i5h h GLN 447 Cb 0.24 -0.21 -0.10 0.00 0.30 0.00 0.00 27.48 27.72 3i5h h GLN 447 CO -0.01 0.61 0.47 1.15 -0.67 0.00 0.00 178.83 180.37 3i5h h THR 448 N 0.94 0.73 0.14 -0.54 2.02 0.47 -2.75 112.91 113.93 3i5h h THR 448 Ca 0.32 -0.23 -0.26 0.00 0.77 0.00 0.00 66.41 67.02 3i5h h THR 448 Cb 0.06 0.02 0.03 0.00 -1.74 0.00 0.00 68.15 66.52 3i5h h THR 448 CO -0.13 0.12 -1.11 -0.07 0.37 0.00 0.00 175.52 174.70 3i5h h LEU 449 N 0.66 0.72 -1.94 2.58 3.38 0.18 -3.37 115.31 117.53 3i5h h LEU 449 Ca 0.48 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3i5h h LEU 449 Cb 0.68 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3i5h h LEU 449 CO -0.36 1.53 0.00 -0.67 0.09 0.00 0.00 178.44 179.03 3i5h n ASP 450 N -3.92 0.00 -3.46 -0.43 -0.08 0.37 -4.26 116.55 104.77 3i5h n ASP 450 Ca -0.14 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.74 3i5h n ASP 450 Cb 0.93 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 44.37 3i5h n ASP 450 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 3i5h n THR 451 N 0.69 3.98 -3.99 5.18 -1.04 -1.26 -4.83 114.28 113.02 3i5h n THR 451 Ca 0.00 -2.73 -0.18 0.00 -2.04 0.00 0.00 64.05 59.11 3i5h n THR 451 Cb 0.00 -2.61 -0.01 0.00 -1.82 0.00 0.00 70.33 65.88 3i5h n THR 451 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 3i5h n LYS 452 N 4.52 1.07 0.00 -2.82 2.85 -1.26 -4.93 118.16 117.59 3i5h n LYS 452 Ca 0.69 -2.18 0.00 0.00 -1.05 0.00 0.00 58.31 55.77 3i5h n LYS 452 Cb 0.29 0.36 0.00 0.00 -0.65 0.00 0.00 35.03 35.03 3i5h n LYS 452 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i5h n ALA 453 N -2.19 0.98 -3.71 0.58 0.00 -1.26 -5.12 120.51 109.78 3i5h n ALA 453 Ca -0.12 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.17 3i5h n ALA 453 Cb 0.39 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.69 3i5h n ALA 453 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3i5h s LYS 454 N 0.02 0.05 -0.09 0.00 2.20 -1.26 -5.16 119.74 115.49 3i5h s LYS 454 Ca 0.00 0.44 -0.07 0.00 -0.36 0.00 0.00 55.97 55.98 3i5h s LYS 454 Cb 0.00 -0.24 -0.04 0.00 -1.51 0.00 0.00 37.83 36.04 3i5h s LYS 454 CO 0.00 -0.23 0.16 1.03 -0.36 0.00 0.00 175.35 175.95 3i5h s ARG 455 N 1.67 3.47 0.00 4.03 0.52 -1.26 -4.70 118.95 122.68 3i5h s ARG 455 Ca -0.04 -0.13 0.00 0.00 -0.52 0.00 0.00 55.73 55.04 3i5h s ARG 455 Cb -0.12 -3.17 0.00 0.00 0.52 0.00 0.00 34.95 32.18 3i5h s ARG 455 CO -0.06 0.76 0.00 1.04 0.02 0.00 0.00 175.30 177.06 3i5h n GLN 456 N 1.80 0.00 -4.37 3.54 6.02 -0.99 -5.04 117.38 118.33 3i5h n GLN 456 Ca -0.18 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.59 3i5h n GLN 456 Cb 0.54 -0.84 -0.08 0.00 1.02 0.00 0.00 30.24 30.89 3i5h n GLN 456 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3i5h s PHE 457 N -1.85 1.78 0.20 1.08 0.08 -1.09 -4.97 117.98 113.21 3i5h s PHE 457 Ca 0.00 -1.56 -0.22 0.00 0.12 0.00 0.00 56.93 55.28 3i5h s PHE 457 Cb 0.00 -0.87 0.05 0.00 -0.57 0.00 0.00 43.02 41.63 3i5h s PHE 457 CO 0.00 -0.69 0.63 -0.59 -0.10 0.00 0.00 175.22 174.47 3i5h s PHE 458 N -3.33 -0.39 -0.17 0.36 -0.12 -1.26 -1.78 117.98 111.29 3i5h s PHE 458 Ca 0.34 0.09 -0.02 0.00 -0.05 0.00 0.00 56.93 57.29 3i5h s PHE 458 Cb 0.02 0.58 0.05 0.00 -0.63 0.00 0.00 43.02 43.04 3i5h s PHE 458 CO 0.23 -0.97 0.01 0.42 -0.05 0.00 0.00 175.22 174.86 3i5h s ILE 459 N -3.81 0.64 0.38 -4.49 1.01 0.02 0.75 121.20 115.69 3i5h s ILE 459 Ca 0.05 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.29 3i5h s ILE 459 Cb -0.02 -1.02 -0.00 0.00 0.01 0.00 0.00 42.46 41.43 3i5h s ILE 459 CO -0.06 -0.06 0.53 -0.83 0.00 0.00 0.00 174.94 174.52 3i5h s GLY 460 N 1.82 1.73 -0.12 6.18 0.00 0.38 -1.56 107.32 115.75 3i5h s GLY 460 Ca 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 44.72 43.20 3i5h s GLY 460 CO -0.07 -1.37 0.01 0.14 0.00 0.00 0.00 173.10 171.81 3i5h s VAL 461 N -2.28 0.46 -0.19 1.40 1.01 -0.81 0.11 120.40 120.10 3i5h s VAL 461 Ca 0.49 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.17 3i5h s VAL 461 Cb -0.10 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 3i5h s VAL 461 CO 0.32 0.10 0.38 -0.22 0.00 0.00 0.00 175.10 175.68 3i5h s LEU 462 N 1.92 4.18 -0.17 3.92 2.96 0.13 -1.28 118.68 130.32 3i5h s LEU 462 Ca 0.03 0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 54.44 3i5h s LEU 462 Cb -0.14 -2.49 -0.01 0.00 0.50 0.00 0.00 46.19 44.04 3i5h s LEU 462 CO -0.06 -0.04 -0.08 -0.62 -1.32 0.00 0.00 176.35 174.23 3i5h s ASP 463 N 0.92 4.28 -0.09 3.68 -1.08 0.12 -3.02 116.67 121.49 3i5h s ASP 463 Ca 0.19 -0.32 -0.11 0.00 -0.52 0.00 0.00 52.55 51.79 3i5h s ASP 463 Cb -0.14 -1.70 0.03 0.00 -1.46 0.00 0.00 42.92 39.64 3i5h s ASP 463 CO 0.07 0.08 0.29 -0.51 0.52 0.00 0.00 175.17 175.63 3i5h s ILE 464 N 0.85 0.01 0.19 4.11 1.10 -1.26 -0.52 121.20 125.68 3i5h s ILE 464 Ca -0.02 -0.12 -0.33 0.00 -0.51 0.00 0.00 60.65 59.67 3i5h s ILE 464 Cb -0.15 -0.46 -0.13 0.00 0.15 0.00 0.00 42.46 41.87 3i5h s ILE 464 CO 0.01 -0.07 1.65 0.00 -2.11 0.00 0.00 174.94 174.42 3i5h n ALA 465 N 2.54 2.11 -1.62 1.50 0.00 -1.26 -4.94 120.51 118.83 3i5h n ALA 465 Ca -0.15 0.42 -0.30 0.00 0.00 0.00 0.00 53.44 53.42 3i5h n ALA 465 Cb 0.57 -2.44 0.09 0.00 0.00 0.00 0.00 19.45 17.68 3i5h n ALA 465 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i5h s GLY 466 N 1.02 1.62 0.23 0.00 0.00 -1.26 -4.84 107.32 104.09 3i5h s GLY 466 Ca 0.77 -0.30 -0.29 0.00 0.00 0.00 0.00 44.72 44.90 3i5h s GLY 466 CO 0.35 0.14 0.85 0.33 0.00 0.00 0.00 173.10 174.78 3i5h n PHE 467 N -3.41 0.59 -4.57 1.90 7.35 -1.26 -4.94 117.46 113.12 3i5h n PHE 467 Ca 0.07 0.82 -0.29 0.00 -0.76 0.00 0.00 57.45 57.28 3i5h n PHE 467 Cb 0.57 -2.14 -0.14 0.00 0.35 0.00 0.00 39.48 38.13 3i5h n PHE 467 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3i5h s GLU 468 N -1.12 1.54 -0.25 -4.13 2.02 -1.26 -4.99 118.70 110.51 3i5h s GLU 468 Ca 0.64 -1.27 -0.05 0.00 0.02 0.00 0.00 54.97 54.31 3i5h s GLU 468 Cb -0.83 -1.93 0.13 0.00 0.10 0.00 0.00 34.13 31.60 3i5h s GLU 468 CO 0.57 0.47 0.49 0.42 0.02 0.00 0.00 175.26 177.23 3i5h s ILE 469 N -0.97 -0.78 0.14 -1.63 1.01 -1.26 -4.86 121.20 112.85 3i5h s ILE 469 Ca 0.13 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.82 3i5h s ILE 469 Cb -0.10 -0.84 -0.00 0.00 0.01 0.00 0.00 42.46 41.53 3i5h s ILE 469 CO 0.05 -0.01 0.00 0.49 0.00 0.00 0.00 174.94 175.47 3i5h n PHE 470 N 5.40 0.29 0.04 3.97 0.99 -1.26 -5.02 117.46 121.88 3i5h n PHE 470 Ca -0.06 -0.70 -0.15 0.00 -0.00 0.00 0.00 57.45 56.53 3i5h n PHE 470 Cb 0.50 -0.08 -0.05 0.00 -1.00 0.00 0.00 39.48 38.84 3i5h n PHE 470 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 3i5h h ASP 471 N 0.35 0.72 -3.79 4.37 3.32 -2.02 -3.39 116.42 115.99 3i5h h ASP 471 Ca -0.11 -0.53 -0.67 0.00 0.02 0.00 0.00 57.03 55.73 3i5h h ASP 471 Cb 0.35 -0.22 -0.36 0.00 0.22 0.00 0.00 39.33 39.33 3i5h h ASP 471 CO 0.19 1.32 -0.74 0.12 -1.72 0.00 0.00 179.24 178.41 3i5h s PHE 472 N -3.46 3.35 -0.20 4.55 5.36 -1.26 -4.96 117.98 121.36 3i5h s PHE 472 Ca -0.08 -2.26 -0.08 0.00 -0.96 0.00 0.00 56.93 53.56 3i5h s PHE 472 Cb 0.09 -2.20 -0.04 0.00 -0.34 0.00 0.00 43.02 40.53 3i5h s PHE 472 CO 0.89 -0.87 0.08 -0.80 -1.46 0.00 0.00 175.22 173.06 3i5h s ASN 473 N 1.17 5.64 0.15 6.13 0.01 -1.26 -5.02 114.94 121.77 3i5h s ASN 473 Ca -0.04 0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.16 3i5h s ASN 473 Cb -0.20 -1.98 -0.00 0.00 0.41 0.00 0.00 41.25 39.48 3i5h s ASN 473 CO -0.04 0.13 0.02 -0.24 -1.51 0.00 0.00 177.10 175.46 3i5h n SER 474 N 3.81 1.95 0.14 -1.22 2.88 -1.26 -1.55 113.62 118.37 3i5h n SER 474 Ca -0.16 -1.71 0.16 0.00 -1.33 0.00 0.00 58.87 55.83 3i5h n SER 474 Cb 0.52 0.19 0.50 0.00 -0.75 0.00 0.00 64.21 64.67 3i5h n SER 474 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 3i5h h PHE 475 N 1.13 0.00 0.13 0.66 3.57 -1.94 0.66 116.94 121.15 3i5h h PHE 475 Ca -0.12 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 3i5h h PHE 475 Cb 0.40 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.14 3i5h h PHE 475 CO 0.00 0.00 -0.06 0.93 -2.23 0.00 0.00 178.31 176.95 3i5h h GLU 476 N 0.00 -0.17 -0.15 1.11 3.07 -1.97 -2.65 114.58 113.82 3i5h h GLU 476 Ca 0.17 0.01 0.05 0.00 -0.50 0.00 0.00 59.36 59.09 3i5h h GLU 476 Cb 1.66 0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 29.55 3i5h h GLU 476 CO -0.00 0.30 -0.25 1.96 -1.40 0.00 0.00 179.01 179.62 3i5h h GLN 477 N -0.80 -0.29 -0.54 2.33 7.50 -0.05 0.05 115.11 123.31 3i5h h GLN 477 Ca -0.02 0.02 0.11 0.00 0.50 0.00 0.00 58.65 59.26 3i5h h GLN 477 Cb 0.55 0.07 -0.09 0.00 0.05 0.00 0.00 27.48 28.05 3i5h h GLN 477 CO 0.03 -0.20 -0.01 1.25 -1.50 0.00 0.00 178.83 178.40 3i5h h LEU 478 N -0.31 -0.26 -0.94 1.46 5.85 -1.50 -0.45 115.31 119.17 3i5h h LEU 478 Ca 0.11 0.13 0.20 0.00 0.84 0.00 0.00 57.88 59.15 3i5h h LEU 478 Cb 0.46 0.24 -0.11 0.00 0.37 0.00 0.00 40.66 41.63 3i5h h LEU 478 CO -0.32 -0.10 0.51 0.00 -0.34 0.00 0.00 178.44 178.19 3i5h h ILE 480 N 0.61 1.30 -0.49 0.00 2.04 -0.21 -3.17 117.51 117.58 3i5h h ILE 480 Ca 0.56 -1.70 0.09 0.00 1.00 0.00 0.00 64.86 64.80 3i5h h ILE 480 Cb 0.93 2.33 -0.10 0.00 -0.74 0.00 0.00 36.82 39.24 3i5h h ILE 480 CO -0.43 0.39 -0.34 0.78 0.00 0.00 0.00 178.15 178.55 3i5h h ASN 481 N -0.88 -1.15 -0.99 1.72 2.35 -0.81 0.41 115.58 116.23 3i5h h ASN 481 Ca -0.01 0.21 0.12 0.00 -0.55 0.00 0.00 56.30 56.08 3i5h h ASN 481 Cb 0.69 0.55 -0.14 0.00 0.05 0.00 0.00 38.32 39.47 3i5h h ASN 481 CO 0.01 -0.32 -0.48 0.00 -1.65 0.00 0.00 177.43 174.99 3i5h n TYR 482 N -5.42 -0.20 0.04 1.19 9.36 0.74 0.14 117.16 123.00 3i5h n TYR 482 Ca 0.02 1.23 -0.02 0.00 3.32 0.00 0.00 57.90 62.44 3i5h n TYR 482 Cb 0.35 -0.72 -0.01 0.00 -0.63 0.00 0.00 39.34 38.32 3i5h n TYR 482 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 3i5h h THR 483 N 0.00 0.00 -0.97 2.97 2.02 -0.31 -1.81 112.91 114.81 3i5h h THR 483 Ca 0.25 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.74 3i5h h THR 483 Cb 0.50 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.73 3i5h h THR 483 CO -0.95 0.00 0.23 0.78 0.37 0.00 0.00 175.52 175.94 3i5h h ASN 484 N -0.13 -0.13 -0.13 4.18 2.35 0.10 1.67 115.58 123.49 3i5h h ASN 484 Ca -0.01 0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3i5h h ASN 484 Cb 0.12 0.37 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 3i5h h ASN 484 CO -0.01 -0.33 0.08 -0.08 -1.65 0.00 0.00 177.43 175.44 3i5h h GLU 485 N 0.06 0.18 0.00 0.81 4.57 0.17 0.32 114.58 120.68 3i5h h GLU 485 Ca 0.66 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.83 3i5h h GLU 485 Cb 1.49 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 30.04 3i5h h GLU 485 CO -0.82 0.12 -0.07 0.54 -1.18 0.00 0.00 179.01 177.60 3i5h n ARG 486 N -4.51 0.16 0.03 1.92 1.74 0.56 -2.68 116.66 113.88 3i5h n ARG 486 Ca -0.01 0.12 -0.22 0.00 -0.77 0.00 0.00 57.85 56.97 3i5h n ARG 486 Cb 0.09 -1.68 -0.14 0.00 -1.02 0.00 0.00 32.46 29.71 3i5h n ARG 486 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3i5h h LEU 487 N 0.00 0.47 -1.16 0.55 3.38 0.54 -2.90 115.31 116.19 3i5h h LEU 487 Ca 0.00 -0.94 -0.02 0.00 0.09 0.00 0.00 57.88 57.01 3i5h h LEU 487 Cb 0.65 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3i5h h LEU 487 CO 0.00 1.82 0.28 -0.61 0.09 0.00 0.00 178.44 180.02 3i5h h GLN 488 N 0.04 0.87 -0.78 1.13 5.75 -0.84 0.31 115.11 121.58 3i5h h GLN 488 Ca -0.39 -0.12 -0.02 0.00 -0.15 0.00 0.00 58.65 57.97 3i5h h GLN 488 Cb 2.03 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 30.38 3i5h h GLN 488 CO 0.11 0.68 0.40 0.37 -2.65 0.00 0.00 178.83 177.75 3i5h h GLN 489 N 0.86 1.11 -0.38 1.69 4.15 -1.62 0.29 115.11 121.21 3i5h h GLN 489 Ca 0.21 -0.15 0.07 0.00 0.77 0.00 0.00 58.65 59.56 3i5h h GLN 489 Cb 0.11 -0.21 -0.06 0.00 0.21 0.00 0.00 27.48 27.53 3i5h h GLN 489 CO -0.03 0.84 -0.02 0.35 -1.93 0.00 0.00 178.83 178.04 3i5h h PHE 490 N 1.09 -0.06 0.00 3.99 3.57 -0.29 0.16 116.94 125.41 3i5h h PHE 490 Ca 0.27 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.80 3i5h h PHE 490 Cb 0.07 0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.90 3i5h h PHE 490 CO 0.01 -0.09 0.00 0.34 -2.23 0.00 0.00 178.31 176.33 3i5h n PHE 491 N -5.21 0.00 -0.28 0.41 7.35 0.07 -2.32 117.46 117.48 3i5h n PHE 491 Ca 0.02 0.00 0.27 0.00 -0.76 0.00 0.00 57.45 56.98 3i5h n PHE 491 Cb 0.20 -0.28 0.49 0.00 0.35 0.00 0.00 39.48 40.24 3i5h n PHE 491 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3i5h n ASN 492 N -1.42 0.27 0.01 -2.13 4.13 0.91 0.22 115.26 117.24 3i5h n ASN 492 Ca 0.00 1.31 -0.12 0.00 1.68 0.00 0.00 54.58 57.45 3i5h n ASN 492 Cb 0.00 -0.64 -0.06 0.00 -1.54 0.00 0.00 39.78 37.54 3i5h n ASN 492 CO 0.00 0.00 0.00 -0.74 0.28 0.00 0.00 177.26 176.80 3i5h h HIS 493 N 0.00 0.08 0.11 3.10 2.76 -0.74 -1.10 115.15 119.36 3i5h h HIS 493 Ca 0.69 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.86 3i5h h HIS 493 Cb 1.89 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 30.79 3i5h h HIS 493 CO -0.01 0.12 -0.35 1.25 -1.30 0.00 0.00 177.93 177.64 3i5h h HIS 494 N 0.01 -1.02 -0.93 5.26 6.17 0.30 -1.31 115.15 123.63 3i5h h HIS 494 Ca 0.02 0.02 0.14 0.00 0.71 0.00 0.00 60.37 61.27 3i5h h HIS 494 Cb 0.07 0.43 -0.15 0.00 2.52 0.00 0.00 27.41 30.28 3i5h h HIS 494 CO -0.05 -0.41 -0.39 1.98 0.71 0.00 0.00 177.93 179.77 3i5h h MET 495 N -0.53 -0.03 -0.40 5.26 -1.53 -1.24 -0.64 114.93 115.83 3i5h h MET 495 Ca -0.01 0.00 0.05 0.00 -3.44 0.00 0.00 59.70 56.30 3i5h h MET 495 Cb 0.52 0.01 -0.08 0.00 -0.55 0.00 0.00 31.60 31.50 3i5h h MET 495 CO -0.17 -0.02 -0.50 0.35 0.14 0.00 0.00 176.91 176.70 3i5h h PHE 496 N -0.03 -1.55 0.13 1.39 3.57 -0.23 0.21 116.94 120.43 3i5h h PHE 496 Ca 0.32 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.90 3i5h h PHE 496 Cb 0.58 0.73 -0.03 0.00 2.79 0.00 0.00 35.95 40.02 3i5h h PHE 496 CO -0.84 -0.44 -0.35 0.28 -2.23 0.00 0.00 178.31 174.73 3i5h h VAL 497 N -0.34 0.00 -0.06 1.41 2.07 -0.09 0.12 116.25 119.37 3i5h h VAL 497 Ca 0.07 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.60 3i5h h VAL 497 Cb 0.53 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3i5h h VAL 497 CO -0.55 0.00 -0.08 -0.07 0.02 0.00 0.00 177.57 176.89 3i5h h LEU 498 N -0.53 -0.26 -0.92 2.57 3.38 -0.93 -0.97 115.31 117.66 3i5h h LEU 498 Ca -0.01 0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.18 3i5h h LEU 498 Cb 0.52 0.10 -0.17 0.00 0.09 0.00 0.00 40.66 41.20 3i5h h LEU 498 CO -0.16 -0.06 -0.20 -0.33 0.09 0.00 0.00 178.44 177.78 3i5h h GLU 499 N -0.06 0.00 -1.08 1.13 4.39 -0.52 2.08 114.58 120.53 3i5h h GLU 499 Ca 0.01 -0.00 0.29 0.00 0.34 0.00 0.00 59.36 60.00 3i5h h GLU 499 Cb 0.08 -0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.64 3i5h h GLU 499 CO -0.08 0.00 0.70 0.37 -1.16 0.00 0.00 179.01 178.85 3i5h h GLN 500 N 0.00 0.31 0.05 2.33 4.15 0.36 0.31 115.11 122.62 3i5h h GLN 500 Ca 0.45 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.85 3i5h h GLN 500 Cb 0.72 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.34 3i5h h GLN 500 CO -0.93 0.21 -0.02 1.49 -1.93 0.00 0.00 178.83 177.64 3i5h h GLU 501 N 0.32 -0.06 -1.12 1.69 4.81 0.40 -2.64 114.58 117.98 3i5h h GLU 501 Ca 0.62 0.00 0.32 0.00 -0.13 0.00 0.00 59.36 60.18 3i5h h GLU 501 Cb 1.70 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 31.04 3i5h h GLU 501 CO -0.29 0.56 0.89 1.49 -0.73 0.00 0.00 179.01 180.93 3i5h h GLU 502 N -0.80 0.00 0.00 1.92 4.57 0.22 0.22 114.58 120.71 3i5h h GLU 502 Ca -0.01 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.04 3i5h h GLU 502 Cb 0.65 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.22 3i5h h GLU 502 CO 0.01 0.00 -0.76 1.88 -1.18 0.00 0.00 179.01 178.96 3i5h h TYR 503 N 0.00 0.00 -0.93 0.92 -1.99 -1.09 -3.26 116.97 110.62 3i5h h TYR 503 Ca 0.53 0.00 0.18 0.00 2.00 0.00 0.00 58.73 61.44 3i5h h TYR 503 Cb 2.31 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 40.93 3i5h h TYR 503 CO 0.00 1.15 0.51 -0.22 -0.00 0.00 0.00 178.16 179.60 3i5h h LYS 504 N -1.00 0.63 -0.44 4.88 3.64 -0.81 0.85 116.57 124.32 3i5h h LYS 504 Ca -0.20 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.23 3i5h h LYS 504 Cb 1.08 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 3i5h h LYS 504 CO -0.12 0.41 0.30 -0.22 -2.27 0.00 0.00 179.45 177.56 3i5h h LYS 505 N 0.65 0.24 -0.44 1.90 3.64 -0.75 0.57 116.57 122.38 3i5h h LYS 505 Ca 0.53 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.76 3i5h h LYS 505 Cb 0.84 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.53 3i5h h LYS 505 CO -0.40 0.16 0.07 0.39 -2.27 0.00 0.00 179.45 177.40 3i5h n GLU 506 N -4.46 2.71 -2.67 1.90 -0.58 0.26 -4.73 120.64 113.06 3i5h n GLU 506 Ca 0.07 -3.02 -0.11 0.00 -0.42 0.00 0.00 57.16 53.68 3i5h n GLU 506 Cb 0.34 -1.94 -0.01 0.00 -0.57 0.00 0.00 31.44 29.26 3i5h n GLU 506 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i5h n GLY 507 N -0.67 -0.49 3.86 0.62 0.00 0.74 -3.30 105.19 105.95 3i5h n GLY 507 Ca 0.32 0.02 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 3i5h n GLY 507 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i5h s ILE 508 N -2.48 5.00 0.06 -0.61 1.01 -0.54 -4.97 121.20 118.67 3i5h s ILE 508 Ca 0.09 0.56 -0.31 0.00 0.00 0.00 0.00 60.65 60.99 3i5h s ILE 508 Cb -0.05 -3.67 -0.06 0.00 0.01 0.00 0.00 42.46 38.69 3i5h s ILE 508 CO 0.11 0.21 1.33 -0.69 0.00 0.00 0.00 174.94 175.90 3i5h s VAL 509 N -1.49 3.65 -0.36 2.92 1.01 -1.26 -4.34 120.40 120.53 3i5h s VAL 509 Ca 0.37 1.15 -0.14 0.00 0.00 0.00 0.00 61.98 63.36 3i5h s VAL 509 Cb -0.14 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.50 3i5h s VAL 509 CO 0.19 0.06 0.26 0.86 0.00 0.00 0.00 175.10 176.48 3i5h s TRP 510 N 1.49 3.23 -0.60 5.22 -0.00 -1.26 -5.00 118.94 122.03 3i5h s TRP 510 Ca 0.62 -0.33 0.05 0.00 -0.00 0.00 0.00 56.10 56.44 3i5h s TRP 510 Cb -0.33 -2.52 0.31 0.00 -0.00 0.00 0.00 33.47 30.93 3i5h s TRP 510 CO 0.29 -0.44 0.87 -0.85 -0.00 0.00 0.00 176.95 176.82 3i5h n GLU 511 N 5.13 2.96 -3.70 5.86 0.28 -1.26 -5.04 120.64 124.87 3i5h n GLU 511 Ca -0.12 -4.78 -0.10 0.00 -0.16 0.00 0.00 57.16 51.99 3i5h n GLU 511 Cb 0.49 -2.24 -0.11 0.00 1.43 0.00 0.00 31.44 31.01 3i5h n GLU 511 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 3i5h s PHE 512 N -3.09 -0.62 0.19 -1.84 2.99 -1.26 -5.13 117.98 109.21 3i5h s PHE 512 Ca 0.46 1.32 -0.28 0.00 0.00 0.00 0.00 56.93 58.42 3i5h s PHE 512 Cb 0.23 0.28 -0.08 0.00 0.00 0.00 0.00 43.02 43.45 3i5h s PHE 512 CO -0.09 -0.34 0.88 -1.50 -0.00 0.00 0.00 175.22 174.17 3i5h s ILE 513 N 1.30 4.27 0.00 0.64 2.07 -1.26 -4.91 121.20 123.31 3i5h s ILE 513 Ca -0.09 1.94 -0.16 0.00 -1.41 0.00 0.00 60.65 60.93 3i5h s ILE 513 Cb -0.08 -4.26 -0.08 0.00 0.13 0.00 0.00 42.46 38.18 3i5h s ILE 513 CO -0.12 0.47 0.43 -0.67 -1.91 0.00 0.00 174.94 173.14 3i5h n ASP 514 N 1.79 -0.03 -0.09 4.50 -0.08 -1.26 -4.84 116.55 116.55 3i5h n ASP 514 Ca -0.03 0.47 -0.04 0.00 -1.51 0.00 0.00 54.79 53.69 3i5h n ASP 514 Cb 0.48 -0.38 0.19 0.00 2.34 0.00 0.00 41.12 43.75 3i5h n ASP 514 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 3i5h h PHE 515 N 1.18 0.78 -0.79 -0.67 0.04 -1.89 -2.78 116.94 112.82 3i5h h PHE 515 Ca -0.20 -0.10 0.17 0.00 2.80 0.00 0.00 57.97 60.64 3i5h h PHE 515 Cb 0.58 -0.22 -0.05 0.00 2.20 0.00 0.00 35.95 38.47 3i5h h PHE 515 CO 0.23 0.73 0.53 0.78 -0.60 0.00 0.00 178.31 179.98 3i5h h GLY 516 N 0.95 0.64 0.35 -1.45 0.00 -1.80 -0.21 103.07 101.55 3i5h h GLY 516 Ca 0.14 -0.15 0.21 0.00 0.00 0.00 0.00 47.33 47.52 3i5h h GLY 516 CO 0.02 0.03 0.62 1.41 0.00 0.00 0.00 176.54 178.62 3i5h h LEU 517 N 0.35 0.00 -2.18 3.11 3.38 -1.83 0.14 115.31 118.27 3i5h h LEU 517 Ca 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 3i5h h LEU 517 Cb 1.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 3i5h h LEU 517 CO -0.12 0.00 -0.03 0.44 0.09 0.00 0.00 178.44 178.82 3i5h h ASP 518 N 0.00 0.00 -0.01 -0.43 5.19 -1.21 -2.14 116.42 117.82 3i5h h ASP 518 Ca 0.34 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.75 3i5h h ASP 518 Cb 1.59 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.10 3i5h h ASP 518 CO -0.00 0.03 -0.60 0.18 -3.12 0.00 0.00 179.24 175.73 3i5h n LEU 519 N -4.12 1.54 -0.36 1.55 4.77 0.46 -4.35 117.00 116.50 3i5h n LEU 519 Ca -0.03 -0.67 0.10 0.00 -0.03 0.00 0.00 56.01 55.39 3i5h n LEU 519 Cb 0.11 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.49 3i5h n LEU 519 CO 0.31 0.31 1.21 -0.61 -1.33 0.00 0.00 177.39 177.28 3i5h h GLN 520 N 1.43 0.85 0.00 3.23 5.75 -1.30 -2.49 115.11 122.58 3i5h h GLN 520 Ca 0.00 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 3i5h h GLN 520 Cb 0.60 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.96 3i5h h GLN 520 CO 0.00 0.56 0.00 0.00 -2.65 0.00 0.00 178.83 176.74 3i5h n ALA 521 N -2.34 -0.04 -0.18 3.38 0.00 -1.26 0.19 120.51 120.26 3i5h n ALA 521 Ca 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.55 3i5h n ALA 521 Cb 0.47 0.27 -0.08 0.00 0.00 0.00 0.00 19.45 20.11 3i5h n ALA 521 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i5h h ILE 523 N -0.21 0.04 -0.74 0.00 2.04 -1.29 0.62 117.51 117.97 3i5h h ILE 523 Ca 0.08 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.96 3i5h h ILE 523 Cb 0.41 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.49 3i5h h ILE 523 CO -0.55 0.00 0.47 -0.33 0.00 0.00 0.00 178.15 177.75 3i5h h GLU 524 N -0.02 0.91 0.00 2.37 5.08 0.13 0.63 114.58 123.68 3i5h h GLU 524 Ca 0.36 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3i5h h GLU 524 Cb 0.62 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3i5h h GLU 524 CO -0.94 0.60 0.00 -0.11 -1.00 0.00 0.00 179.01 177.56 3i5h n LEU 525 N -4.62 0.00 -0.02 1.33 7.94 0.21 -2.68 117.00 119.16 3i5h n LEU 525 Ca 0.08 0.07 -0.03 0.00 -1.11 0.00 0.00 56.01 55.02 3i5h n LEU 525 Cb 0.07 -0.07 -0.01 0.00 0.53 0.00 0.00 43.42 43.93 3i5h n LEU 525 CO 0.34 -0.07 -0.24 -0.38 -1.11 0.00 0.00 177.39 175.93 3i5h n ILE 526 N -1.07 0.92 0.08 1.96 5.41 0.13 -1.37 119.36 125.41 3i5h n ILE 526 Ca 0.01 0.27 -0.03 0.00 1.00 0.00 0.00 62.75 63.99 3i5h n ILE 526 Cb 0.01 -1.75 -0.02 0.00 -0.71 0.00 0.00 39.64 37.17 3i5h n ILE 526 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3i5h h GLU 527 N -0.36 -0.21 -5.15 0.38 5.08 -1.09 -2.86 114.58 110.37 3i5h h GLU 527 Ca 0.00 0.01 -0.52 0.00 -1.00 0.00 0.00 59.36 57.85 3i5h h GLU 527 Cb 0.36 0.05 0.15 0.00 0.50 0.00 0.00 28.75 29.80 3i5h h GLU 527 CO 0.00 -0.14 -0.92 0.36 -1.00 0.00 0.00 179.01 177.31 3i5h n LYS 528 N -2.77 0.00 -1.64 2.33 2.85 -1.13 -4.51 118.16 113.30 3i5h n LYS 528 Ca -0.03 0.00 -0.46 0.00 -1.05 0.00 0.00 58.31 56.78 3i5h n LYS 528 Cb 0.09 -0.86 -0.03 0.00 -0.65 0.00 0.00 35.03 33.58 3i5h n LYS 528 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3i5h n PRO 529 N 1.23 1.71 -1.08 -1.58 -0.02 -1.26 0.13 135.00 134.13 3i5h n PRO 529 Ca 0.08 0.61 -0.03 0.00 -2.02 0.00 0.00 63.50 62.14 3i5h n PRO 529 Cb 0.38 -2.17 -0.01 0.00 -0.02 0.00 0.00 33.50 31.68 3i5h n PRO 529 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3i5h n MET 530 N 1.65 -0.39 -2.10 -0.52 2.81 -1.26 -5.02 117.12 112.28 3i5h n MET 530 Ca 0.12 0.43 -0.23 0.00 -1.81 0.00 0.00 57.70 56.20 3i5h n MET 530 Cb 0.30 -3.98 0.14 0.00 -0.71 0.00 0.00 33.22 28.97 3i5h n MET 530 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i5h n GLY 531 N -2.25 -0.25 0.41 3.03 0.00 0.34 -4.81 105.19 101.65 3i5h n GLY 531 Ca -0.03 -1.89 -0.15 0.00 0.00 0.00 0.00 46.02 43.95 3i5h n GLY 531 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3i5h h ILE 532 N -1.06 0.00 0.43 -0.61 2.04 -1.05 -2.03 117.51 115.22 3i5h h ILE 532 Ca -0.34 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 3i5h h ILE 532 Cb 1.09 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3i5h h ILE 532 CO 0.30 0.00 -0.46 -0.07 0.00 0.00 0.00 178.15 177.92 3i5h h LEU 533 N -0.91 -1.27 -0.79 1.44 3.38 -1.78 -1.77 115.31 113.60 3i5h h LEU 533 Ca -0.08 0.11 0.12 0.00 0.09 0.00 0.00 57.88 58.12 3i5h h LEU 533 Cb 0.74 0.43 -0.13 0.00 0.09 0.00 0.00 40.66 41.79 3i5h h LEU 533 CO 0.05 -0.61 -0.39 -1.28 0.09 0.00 0.00 178.44 176.29 3i5h h SER 534 N -0.91 -1.40 -0.43 -0.43 0.87 -1.74 0.60 113.55 110.11 3i5h h SER 534 Ca -0.04 0.27 0.09 0.00 -1.23 0.00 0.00 61.79 60.88 3i5h h SER 534 Cb 0.81 0.70 -0.09 0.00 -0.44 0.00 0.00 62.40 63.38 3i5h h SER 534 CO -0.08 -0.30 -0.19 0.40 -0.53 0.00 0.00 176.83 176.13 3i5h h ILE 535 N -0.09 0.41 -0.71 2.23 2.04 -1.07 0.48 117.51 120.80 3i5h h ILE 535 Ca 0.27 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.27 3i5h h ILE 535 Cb 0.56 0.41 -0.10 0.00 -0.74 0.00 0.00 36.82 36.96 3i5h h ILE 535 CO -0.83 0.00 0.23 0.25 0.00 0.00 0.00 178.15 177.79 3i5h h LEU 536 N -0.11 0.14 0.55 1.44 5.85 0.93 -0.07 115.31 124.04 3i5h h LEU 536 Ca 0.21 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 59.02 3i5h h LEU 536 Cb 0.43 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3i5h h LEU 536 CO -0.50 0.05 -0.37 -0.33 -0.34 0.00 0.00 178.44 176.95 3i5h h GLU 537 N 0.35 -0.83 -0.68 1.25 5.08 0.15 -2.08 114.58 117.82 3i5h h GLU 537 Ca 0.39 0.06 0.14 0.00 -1.00 0.00 0.00 59.36 58.94 3i5h h GLU 537 Cb 0.60 0.19 -0.10 0.00 0.50 0.00 0.00 28.75 29.94 3i5h h GLU 537 CO -0.43 -0.56 0.18 0.93 -1.00 0.00 0.00 179.01 178.13 3i5h h GLU 538 N -0.86 0.29 0.00 2.33 5.08 -0.84 0.87 114.58 121.45 3i5h h GLU 538 Ca -0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3i5h h GLU 538 Cb 0.70 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3i5h h GLU 538 CO 0.05 0.19 0.00 -1.91 -1.00 0.00 0.00 179.01 176.34 3i5h n GLU 539 N -5.12 0.16 -0.01 2.33 4.07 -0.08 -1.66 120.64 120.33 3i5h n GLU 539 Ca 0.12 0.12 -0.03 0.00 -0.06 0.00 0.00 57.16 57.31 3i5h n GLU 539 Cb 0.39 -1.50 -0.11 0.00 -0.06 0.00 0.00 31.44 30.16 3i5h n GLU 539 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i5h n MET 541 N -2.86 1.13 -3.89 0.00 2.81 -0.66 -4.68 117.12 108.97 3i5h n MET 541 Ca -0.15 -0.16 -0.34 0.00 -1.81 0.00 0.00 57.70 55.25 3i5h n MET 541 Cb 0.92 -1.18 -0.13 0.00 -0.71 0.00 0.00 33.22 32.12 3i5h n MET 541 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3i5h s PHE 542 N -1.70 3.61 0.01 2.03 0.40 -1.26 -5.03 117.98 116.05 3i5h s PHE 542 Ca 0.03 -2.58 -0.02 0.00 -0.60 0.00 0.00 56.93 53.76 3i5h s PHE 542 Cb 0.02 -2.96 -0.00 0.00 0.51 0.00 0.00 43.02 40.58 3i5h s PHE 542 CO 0.02 -0.95 0.31 -2.30 0.70 0.00 0.00 175.22 173.00 3i5h n PRO 543 N 4.46 -0.03 -0.00 0.24 -0.02 -1.26 0.16 135.00 138.55 3i5h n PRO 543 Ca -0.01 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 3i5h n PRO 543 Cb 0.42 -0.46 0.00 0.00 -0.02 0.00 0.00 33.50 33.44 3i5h n PRO 543 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3i5h n LYS 544 N -2.76 1.02 -2.06 -0.52 4.76 -1.26 -4.86 118.16 112.48 3i5h n LYS 544 Ca 0.00 -0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 55.01 3i5h n LYS 544 Cb 0.02 -1.39 -0.03 0.00 -1.84 0.00 0.00 35.03 31.79 3i5h n LYS 544 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i5h s ALA 545 N -1.23 3.66 0.30 7.82 0.00 0.43 -5.00 121.76 127.74 3i5h s ALA 545 Ca 0.00 1.25 0.08 0.00 0.00 0.00 0.00 51.96 53.29 3i5h s ALA 545 Cb 0.00 -3.57 -0.06 0.00 0.00 0.00 0.00 23.12 19.49 3i5h s ALA 545 CO 0.00 -0.69 -0.08 0.45 0.00 0.00 0.00 175.76 175.44 3i5h s SER 546 N 0.94 3.15 0.31 0.00 0.15 -1.26 -4.99 113.70 112.00 3i5h s SER 546 Ca 0.65 -1.19 0.08 0.00 0.70 0.00 0.00 55.95 56.20 3i5h s SER 546 Cb -0.40 -0.24 0.85 0.00 -1.71 0.00 0.00 66.02 64.52 3i5h s SER 546 CO 0.33 -0.27 1.71 0.44 1.20 0.00 0.00 173.24 176.65 3i5h h ASP 547 N 2.19 0.56 -0.28 5.45 3.32 -1.95 0.21 116.42 125.92 3i5h h ASP 547 Ca -0.41 0.15 -0.07 0.00 0.02 0.00 0.00 57.03 56.72 3i5h h ASP 547 Cb 1.24 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 3i5h h ASP 547 CO 0.68 0.06 -0.11 0.74 -1.72 0.00 0.00 179.24 178.88 3i5h h THR 548 N 0.51 1.29 0.00 0.35 2.02 -1.95 -2.13 112.91 113.00 3i5h h THR 548 Ca 0.63 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 66.63 3i5h h THR 548 Cb 1.21 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 3i5h h THR 548 CO -0.50 0.37 0.07 0.77 0.37 0.00 0.00 175.52 176.61 3i5h h SER 549 N 0.32 0.00 0.02 4.18 4.64 -1.01 -1.76 113.55 119.95 3i5h h SER 549 Ca 0.07 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.21 3i5h h SER 549 Cb 0.61 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 3i5h h SER 549 CO 0.04 0.00 -0.95 0.15 -0.87 0.00 0.00 176.83 175.20 3i5h h PHE 550 N 0.00 0.07 0.17 4.77 3.57 -0.88 -3.28 116.94 121.37 3i5h h PHE 550 Ca 0.00 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.46 3i5h h PHE 550 Cb 0.15 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 3i5h h PHE 550 CO 0.00 1.37 -0.49 -0.22 -2.23 0.00 0.00 178.31 176.74 3i5h h LYS 551 N -0.88 -0.73 -0.58 1.11 3.64 -0.75 -0.90 116.57 117.48 3i5h h LYS 551 Ca -0.25 0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.25 3i5h h LYS 551 Cb 1.30 0.17 -0.10 0.00 -0.41 0.00 0.00 32.23 33.19 3i5h h LYS 551 CO -0.11 -0.49 -0.51 -0.91 -2.27 0.00 0.00 179.45 175.16 3i5h h ASN 552 N -0.76 -1.76 -0.91 4.20 2.35 -1.54 0.63 115.58 117.79 3i5h h ASN 552 Ca -0.00 0.26 0.17 0.00 -0.55 0.00 0.00 56.30 56.18 3i5h h ASN 552 Cb 0.75 0.76 -0.07 0.00 0.05 0.00 0.00 38.32 39.81 3i5h h ASN 552 CO -0.25 -0.35 0.59 0.50 -1.65 0.00 0.00 177.43 176.27 3i5h h LYS 553 N -0.27 0.58 0.15 0.81 3.64 -1.46 1.36 116.57 121.38 3i5h h LYS 553 Ca 0.13 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3i5h h LYS 553 Cb 0.56 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3i5h h LYS 553 CO -0.69 0.38 -0.07 -0.07 -2.27 0.00 0.00 179.45 176.73 3i5h h LEU 554 N 0.59 -0.17 -0.19 5.20 3.38 0.11 -1.15 115.31 123.08 3i5h h LEU 554 Ca 0.47 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 58.22 3i5h h LEU 554 Cb 0.91 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 3i5h h LEU 554 CO -0.22 0.19 -0.08 1.88 0.09 0.00 0.00 178.44 180.30 3i5h h TYR 555 N -0.56 -0.20 -0.25 1.13 0.99 0.27 -0.03 116.97 118.32 3i5h h TYR 555 Ca -0.02 0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.76 3i5h h TYR 555 Cb 0.43 0.12 -0.05 0.00 1.00 0.00 0.00 36.73 38.23 3i5h h TYR 555 CO 0.04 -0.13 -0.32 -0.44 -0.00 0.00 0.00 178.16 177.30 3i5h h ASP 556 N -0.06 -1.08 0.39 3.88 5.19 0.17 -2.02 116.42 122.89 3i5h h ASP 556 Ca 0.10 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 3i5h h ASP 556 Cb 0.21 0.44 0.00 0.00 0.18 0.00 0.00 39.33 40.17 3i5h h ASP 556 CO -0.23 -0.23 0.00 0.78 -3.12 0.00 0.00 179.24 176.44 3i5h h ASN 557 N -0.22 0.00 0.00 6.45 2.35 -0.82 -3.40 115.58 119.94 3i5h h ASN 557 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3i5h h ASN 557 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 3i5h h ASN 557 CO -0.35 0.00 0.00 1.41 -1.65 0.00 0.00 177.43 176.84 3i5h n HIS 558 N -2.40 0.00 0.00 1.19 8.25 -0.06 -4.89 115.22 117.31 3i5h n HIS 558 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3i5h n HIS 558 Cb 0.14 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.25 3i5h n HIS 558 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3i5h n LEU 559 N -0.09 0.00 0.24 2.41 -0.00 -0.81 -1.89 117.00 116.86 3i5h n LEU 559 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.13 3i5h n LEU 559 Cb 0.00 0.00 0.54 0.00 -0.00 0.00 0.00 43.42 43.96 3i5h n LEU 559 CO 0.00 0.00 0.86 1.23 -0.00 0.00 0.00 177.39 179.48 3i5h h GLY 560 N 0.00 0.00 2.00 -3.96 0.00 -1.89 -3.26 103.07 95.96 3i5h h GLY 560 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i5h h GLY 560 CO 0.00 0.00 -0.01 0.50 0.00 0.00 0.00 176.54 177.03 3i5h h LYS 561 N 0.00 0.00 -3.10 4.80 1.57 -1.76 -3.42 116.57 114.66 3i5h h LYS 561 Ca -0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 3i5h h LYS 561 Cb 0.64 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 32.61 3i5h h LYS 561 CO 0.02 0.01 -0.59 1.21 -0.57 0.00 0.00 179.45 179.53 3i5h s ASN 562 N -5.49 0.33 0.45 0.86 3.84 -0.79 -5.02 114.94 109.11 3i5h s ASN 562 Ca -0.04 0.38 0.20 0.00 0.21 0.00 0.00 52.86 53.61 3i5h s ASN 562 Cb 0.13 0.32 1.16 0.00 -0.55 0.00 0.00 41.25 42.31 3i5h s ASN 562 CO 0.47 -0.21 1.89 1.55 -2.79 0.00 0.00 177.10 178.01 3i5h h PRO 563 N 7.90 0.31 -0.41 0.43 0.13 -1.86 -1.88 132.00 136.61 3i5h h PRO 563 Ca -0.25 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 64.75 3i5h h PRO 563 Cb 1.13 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 3i5h h PRO 563 CO 0.25 0.20 -0.18 0.52 -0.23 0.00 0.00 178.00 178.56 3i5h h MET 564 N 0.32 0.79 -5.63 0.86 2.86 -1.95 -3.42 114.93 108.75 3i5h h MET 564 Ca 0.42 -0.30 -0.59 0.00 -2.06 0.00 0.00 59.70 57.18 3i5h h MET 564 Cb 1.16 -0.05 -0.09 0.00 0.06 0.00 0.00 31.60 32.68 3i5h h MET 564 CO -0.12 0.91 -0.09 0.12 1.06 0.00 0.00 176.91 178.78 3i5h s PHE 565 N -4.68 3.44 0.00 -0.22 5.36 -0.71 -2.98 117.98 118.20 3i5h s PHE 565 Ca -0.09 0.83 0.00 0.00 -0.96 0.00 0.00 56.93 56.70 3i5h s PHE 565 Cb 0.13 -2.61 0.00 0.00 -0.34 0.00 0.00 43.02 40.20 3i5h s PHE 565 CO 0.83 0.03 0.00 0.41 -1.46 0.00 0.00 175.22 175.04 3i5h n GLY 566 N 3.58 4.37 2.88 13.12 0.00 -0.07 -4.72 105.19 124.35 3i5h n GLY 566 Ca -0.06 -1.75 -0.14 0.00 0.00 0.00 0.00 46.02 44.07 3i5h n GLY 566 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i5h s LYS 567 N -1.48 0.06 0.00 1.61 2.20 -1.26 -2.65 119.74 118.22 3i5h s LYS 567 Ca 0.00 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.95 3i5h s LYS 567 Cb 0.00 -0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.11 3i5h s LYS 567 CO 0.00 -0.18 0.00 -0.35 -0.36 0.00 0.00 175.35 174.46 3i5h n PRO 568 N 4.28 0.30 -3.70 4.03 -0.04 -1.26 -4.96 135.00 133.65 3i5h n PRO 568 Ca -0.25 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.08 3i5h n PRO 568 Cb 0.51 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.84 3i5h n PRO 568 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3i5h s LYS 569 N -2.05 0.18 -0.06 0.54 0.00 -1.26 -5.02 119.74 112.06 3i5h s LYS 569 Ca 0.00 0.63 -0.08 0.00 0.00 0.00 0.00 55.97 56.52 3i5h s LYS 569 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 37.83 37.71 3i5h s LYS 569 CO 0.00 -0.22 0.27 -2.30 0.00 0.00 0.00 175.35 173.10 3i5h n PRO 570 N 4.74 0.00 0.00 1.78 -0.02 -1.26 -4.97 135.00 135.27 3i5h n PRO 570 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 3i5h n PRO 570 Cb 0.51 -0.28 0.00 0.00 -0.02 0.00 0.00 33.50 33.72 3i5h n PRO 570 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3i5h n PRO 571 N 0.60 0.00 0.00 0.52 -0.02 -1.26 -5.08 135.00 129.76 3i5h n PRO 571 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3i5h n PRO 571 Cb -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3i5h n PRO 571 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3i5h n LYS 572 N 0.00 2.33 -0.12 -0.52 4.76 -1.26 -4.98 118.16 118.37 3i5h n LYS 572 Ca 0.00 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 3i5h n LYS 572 Cb 0.00 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.11 3i5h n LYS 572 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i5h n ALA 573 N -3.00 1.02 0.06 7.82 0.00 -1.26 -4.48 120.51 120.66 3i5h n ALA 573 Ca 0.00 -0.91 -0.08 0.00 0.00 0.00 0.00 53.44 52.45 3i5h n ALA 573 Cb 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 19.45 19.34 3i5h n ALA 573 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i5h h GLY 574 N -1.00 0.02 -7.21 0.00 0.00 -2.05 -3.43 103.07 89.40 3i5h h GLY 574 Ca -0.44 -0.06 -0.08 0.00 0.00 0.00 0.00 47.33 46.75 3i5h h GLY 574 CO -0.26 0.05 0.53 0.00 0.00 0.00 0.00 176.54 176.86 3i5h n ALA 576 N 15.14 -1.03 -2.61 0.00 0.00 -1.26 -4.15 120.51 126.61 3i5h n ALA 576 Ca 0.49 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.52 3i5h n ALA 576 Cb 0.37 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.78 3i5h n ALA 576 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3i5h s GLU 577 N 0.00 4.51 0.30 0.00 2.12 -1.26 -4.60 118.70 119.77 3i5h s GLU 577 Ca 0.00 1.13 0.01 0.00 0.36 0.00 0.00 54.97 56.47 3i5h s GLU 577 Cb 0.00 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.93 3i5h s GLU 577 CO 0.00 0.09 0.49 0.00 -0.54 0.00 0.00 175.26 175.30 3i5h s ALA 578 N 0.62 3.76 0.00 6.30 0.00 -1.26 -4.63 121.76 126.54 3i5h s ALA 578 Ca 0.43 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.44 3i5h s ALA 578 Cb -0.20 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 20.90 3i5h s ALA 578 CO 0.23 0.10 0.00 0.72 0.00 0.00 0.00 175.76 176.81 3i5h n HIS 579 N -1.53 0.00 0.00 0.00 -0.00 0.17 -4.87 115.22 108.98 3i5h n HIS 579 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.66 3i5h n HIS 579 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.55 3i5h n HIS 579 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.34 178.31 3i5h n PHE 580 N -0.96 0.00 -4.22 4.41 1.16 -1.12 -4.80 117.46 111.93 3i5h n PHE 580 Ca 0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.39 3i5h n PHE 580 Cb 0.00 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 37.75 3i5h n PHE 580 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3i5h s LEU 582 N -1.60 2.92 -0.67 0.00 1.43 -0.52 -0.89 118.68 119.35 3i5h s LEU 582 Ca -0.01 -1.14 -0.07 0.00 -1.03 0.00 0.00 54.13 51.89 3i5h s LEU 582 Cb -0.09 -1.18 0.17 0.00 0.03 0.00 0.00 46.19 45.11 3i5h s LEU 582 CO 0.02 -0.33 0.53 -2.28 0.23 0.00 0.00 176.35 174.52 3i5h s HIS 583 N -2.59 3.51 0.23 0.29 5.65 -1.16 -2.26 115.29 118.96 3i5h s HIS 583 Ca 0.35 -2.44 -0.15 0.00 0.25 0.00 0.00 55.06 53.07 3i5h s HIS 583 Cb 0.03 -3.40 -0.08 0.00 -1.18 0.00 0.00 32.58 27.95 3i5h s HIS 583 CO 0.19 -0.90 0.65 -1.01 -0.65 0.00 0.00 174.74 173.02 3i5h s HIS 584 N 0.12 3.52 0.62 3.88 3.76 0.56 -4.74 115.29 123.01 3i5h s HIS 584 Ca 0.16 1.16 0.23 0.00 -0.15 0.00 0.00 55.06 56.47 3i5h s HIS 584 Cb -0.18 -2.47 0.99 0.00 1.11 0.00 0.00 32.58 32.03 3i5h s HIS 584 CO -0.05 0.28 1.46 0.10 -0.85 0.00 0.00 174.74 175.69 3i5h h TYR 585 N 2.99 0.00 -0.20 1.40 -0.00 -1.96 2.55 116.97 121.74 3i5h h TYR 585 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.25 3i5h h TYR 585 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.91 3i5h h TYR 585 CO 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.79 3i5h n ALA 586 N -2.12 2.49 0.00 0.10 0.00 -1.26 -4.90 120.51 114.82 3i5h n ALA 586 Ca 0.14 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3i5h n ALA 586 Cb 1.13 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.54 3i5h n ALA 586 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5h n GLY 587 N 0.94 0.05 3.36 0.00 0.00 0.86 -4.83 105.19 105.56 3i5h n GLY 587 Ca 0.11 -2.14 -0.38 0.00 0.00 0.00 0.00 46.02 43.60 3i5h n GLY 587 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i5h s SER 588 N -4.00 5.39 -0.12 1.61 0.15 -1.26 -0.32 113.70 115.14 3i5h s SER 588 Ca 0.00 -0.80 -0.06 0.00 0.70 0.00 0.00 55.95 55.79 3i5h s SER 588 Cb 0.00 -1.94 -0.04 0.00 -1.71 0.00 0.00 66.02 62.33 3i5h s SER 588 CO 0.00 -0.26 0.10 -0.69 1.20 0.00 0.00 173.24 173.59 3i5h s VAL 589 N 1.52 5.17 -0.18 4.45 1.01 -0.96 -4.96 120.40 126.45 3i5h s VAL 589 Ca 0.02 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.05 3i5h s VAL 589 Cb -0.18 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 3i5h s VAL 589 CO 0.04 0.60 -0.04 -0.44 0.00 0.00 0.00 175.10 175.26 3i5h s SER 590 N -0.86 4.58 0.16 3.32 0.01 -1.26 -1.44 113.70 118.20 3i5h s SER 590 Ca 0.14 -0.24 0.05 0.00 1.31 0.00 0.00 55.95 57.21 3i5h s SER 590 Cb -0.12 -1.76 -0.04 0.00 0.21 0.00 0.00 66.02 64.32 3i5h s SER 590 CO 0.03 0.10 0.14 -0.31 0.41 0.00 0.00 173.24 173.61 3i5h s TYR 591 N 0.79 3.17 -0.10 2.43 1.51 0.18 -4.27 117.35 121.06 3i5h s TYR 591 Ca -0.01 -0.01 0.02 0.00 -1.01 0.00 0.00 57.07 56.06 3i5h s TYR 591 Cb -0.15 -1.52 -0.02 0.00 -0.11 0.00 0.00 41.96 40.16 3i5h s TYR 591 CO 0.02 0.52 -0.16 0.45 -1.11 0.00 0.00 175.55 175.27 3i5h s SER 592 N -3.09 3.82 0.24 2.29 0.15 -0.60 0.42 113.70 116.93 3i5h s SER 592 Ca 0.31 -0.34 0.24 0.00 0.70 0.00 0.00 55.95 56.86 3i5h s SER 592 Cb -0.10 -1.31 0.32 0.00 -1.71 0.00 0.00 66.02 63.22 3i5h s SER 592 CO 0.24 0.22 1.39 0.40 1.20 0.00 0.00 173.24 176.69 3i5h h ILE 593 N 5.12 0.00 0.00 6.45 1.08 -1.88 -3.40 117.51 124.89 3i5h h ILE 593 Ca -0.31 -0.76 0.00 0.00 -0.39 0.00 0.00 64.86 63.40 3i5h h ILE 593 Cb 1.20 1.49 0.00 0.00 -3.07 0.00 0.00 36.82 36.44 3i5h h ILE 593 CO 0.52 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.98 3i5h n ALA 594 N -1.99 0.00 -0.66 1.87 0.00 -1.26 -1.65 120.51 116.83 3i5h n ALA 594 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.56 3i5h n ALA 594 Cb 0.49 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.28 3i5h n ALA 594 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5h n GLY 595 N 0.00 2.89 0.31 0.00 0.00 -1.26 -4.62 105.19 102.51 3i5h n GLY 595 Ca 0.00 -0.85 0.06 0.00 0.00 0.00 0.00 46.02 45.23 3i5h n GLY 595 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3i5h h TRP 596 N 3.77 -0.25 -0.93 1.61 4.06 -1.66 1.36 115.95 123.90 3i5h h TRP 596 Ca 0.00 0.07 0.22 0.00 2.06 0.00 0.00 58.89 61.23 3i5h h TRP 596 Cb 1.46 0.25 -0.12 0.00 -1.00 0.00 0.00 29.16 29.75 3i5h h TRP 596 CO 0.75 -0.34 0.49 -0.07 -3.56 0.00 0.00 178.44 175.70 3i5h h LEU 597 N 0.03 0.51 0.16 -4.49 3.38 -1.82 -1.53 115.31 111.56 3i5h h LEU 597 Ca 0.45 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.54 3i5h h LEU 597 Cb 0.77 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3i5h h LEU 597 CO -0.82 0.09 -0.08 0.44 0.09 0.00 0.00 178.44 178.16 3i5h h ASP 598 N 0.52 -0.18 -0.85 -0.43 3.32 0.14 -3.36 116.42 115.59 3i5h h ASP 598 Ca 0.58 0.01 0.18 0.00 0.02 0.00 0.00 57.03 57.82 3i5h h ASP 598 Cb 1.04 0.05 -0.16 0.00 0.22 0.00 0.00 39.33 40.48 3i5h h ASP 598 CO -0.47 0.05 -0.14 0.11 -1.72 0.00 0.00 179.24 177.06 3i5h h LYS 599 N -0.57 0.02 0.00 3.56 1.57 -0.89 -2.10 116.57 118.16 3i5h h LYS 599 Ca -0.02 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3i5h h LYS 599 Cb 0.17 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3i5h h LYS 599 CO 0.04 0.01 0.07 -0.97 -0.57 0.00 0.00 179.45 178.02 3i5h h ASN 600 N 0.02 0.00 -3.15 0.86 -0.00 -1.42 -3.43 115.58 108.46 3i5h h ASN 600 Ca 0.43 0.00 -0.57 0.00 -0.00 0.00 0.00 56.30 56.16 3i5h h ASN 600 Cb 0.72 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 38.98 3i5h h ASN 600 CO -0.84 0.00 0.87 -0.54 -0.00 0.00 0.00 177.43 176.92 3i5h s LYS 601 N -3.95 4.12 -0.39 6.67 1.02 -0.79 -1.85 119.74 124.57 3i5h s LYS 601 Ca -0.04 1.28 0.08 0.00 0.02 0.00 0.00 55.97 57.32 3i5h s LYS 601 Cb 0.10 -3.74 0.26 0.00 -0.52 0.00 0.00 37.83 33.93 3i5h s LYS 601 CO 0.32 -0.83 0.55 -3.47 -0.92 0.00 0.00 175.35 171.00 3i5h n ASP 602 N 6.81 0.30 -4.82 2.83 -0.08 -1.08 -4.89 116.55 115.62 3i5h n ASP 602 Ca 0.13 -2.74 -0.34 0.00 -1.51 0.00 0.00 54.79 50.33 3i5h n ASP 602 Cb 0.46 -0.64 -0.07 0.00 2.34 0.00 0.00 41.12 43.22 3i5h n ASP 602 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 3i5h s PRO 603 N -1.35 4.20 -0.03 -0.67 0.04 -1.14 -4.06 135.00 131.99 3i5h s PRO 603 Ca 0.36 0.98 -0.13 0.00 0.04 0.00 0.00 61.00 62.25 3i5h s PRO 603 Cb 0.19 -2.39 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 3i5h s PRO 603 CO -0.11 0.10 0.36 0.42 0.04 0.00 0.00 177.00 177.81 3i5h s ILE 604 N -1.99 5.13 -0.73 0.56 1.01 -1.26 -4.83 121.20 119.08 3i5h s ILE 604 Ca 0.56 0.72 0.04 0.00 0.00 0.00 0.00 60.65 61.97 3i5h s ILE 604 Cb -0.11 -3.65 0.27 0.00 0.01 0.00 0.00 42.46 38.97 3i5h s ILE 604 CO 0.16 0.57 0.93 0.59 0.00 0.00 0.00 174.94 177.20 3i5h n ASN 605 N 1.97 4.44 0.00 3.58 3.02 -1.26 -4.71 115.26 122.30 3i5h n ASN 605 Ca -0.15 -3.46 0.00 0.00 -0.03 0.00 0.00 54.58 50.94 3i5h n ASN 605 Cb 0.53 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 3i5h n ASN 605 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3i5h n GLU 606 N 0.85 0.00 -0.33 3.52 1.02 -1.26 0.23 120.64 124.67 3i5h n GLU 606 Ca 0.30 0.00 0.28 0.00 -0.02 0.00 0.00 57.16 57.71 3i5h n GLU 606 Cb 0.39 0.00 0.53 0.00 -0.02 0.00 0.00 31.44 32.34 3i5h n GLU 606 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3i5h h ASN 607 N 0.00 0.42 0.08 1.62 2.35 -1.94 1.86 115.58 119.98 3i5h h ASN 607 Ca 0.00 0.22 -0.05 0.00 -0.55 0.00 0.00 56.30 55.92 3i5h h ASN 607 Cb 0.00 0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3i5h h ASN 607 CO 0.00 -0.27 -0.15 0.58 -1.65 0.00 0.00 177.43 175.94 3i5h h VAL 608 N 0.18 1.17 0.07 2.81 2.07 0.27 0.12 116.25 122.93 3i5h h VAL 608 Ca 0.79 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 3i5h h VAL 608 Cb 1.96 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 3i5h h VAL 608 CO -0.67 0.23 -0.03 0.58 0.02 0.00 0.00 177.57 177.69 3i5h h VAL 609 N 0.15 0.00 -0.72 2.57 2.07 0.28 0.39 116.25 120.99 3i5h h VAL 609 Ca 0.03 -0.03 0.15 0.00 0.82 0.00 0.00 66.70 67.67 3i5h h VAL 609 Cb 0.37 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.00 3i5h h VAL 609 CO 0.02 0.00 -0.15 -0.33 0.02 0.00 0.00 177.57 177.14 3i5h h GLU 610 N -0.13 0.02 -0.88 1.57 4.39 -1.49 1.34 114.58 119.40 3i5h h GLU 610 Ca -0.01 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.73 3i5h h GLU 610 Cb 0.07 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.67 3i5h h GLU 610 CO 0.02 0.01 0.57 1.25 -1.16 0.00 0.00 179.01 179.69 3i5h h LEU 611 N 0.02 0.93 -0.06 1.33 5.85 -1.01 0.10 115.31 122.48 3i5h h LEU 611 Ca 0.36 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.07 3i5h h LEU 611 Cb 0.56 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3i5h h LEU 611 CO -0.72 0.63 0.00 0.18 -0.34 0.00 0.00 178.44 178.19 3i5h n LEU 612 N -4.54 0.05 -2.41 2.25 4.77 0.43 -3.47 117.00 114.09 3i5h n LEU 612 Ca 0.11 -0.03 -0.34 0.00 -0.03 0.00 0.00 56.01 55.73 3i5h n LEU 612 Cb 0.11 -0.03 0.06 0.00 -2.33 0.00 0.00 43.42 41.23 3i5h n LEU 612 CO 0.33 0.01 1.24 0.00 -1.33 0.00 0.00 177.39 177.65 3i5h n GLN 613 N -0.46 2.86 -3.96 3.23 6.02 0.36 -4.58 117.38 120.85 3i5h n GLN 613 Ca 0.00 -3.51 -0.09 0.00 -0.01 0.00 0.00 57.00 53.38 3i5h n GLN 613 Cb 0.01 -2.28 -0.11 0.00 1.02 0.00 0.00 30.24 28.88 3i5h n GLN 613 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3i5h s ASN 614 N -2.01 0.20 0.39 1.08 0.01 -1.23 -4.97 114.94 108.42 3i5h s ASN 614 Ca 0.60 -0.46 0.00 0.00 -0.71 0.00 0.00 52.86 52.29 3i5h s ASN 614 Cb 0.48 0.13 0.00 0.00 0.41 0.00 0.00 41.25 42.26 3i5h s ASN 614 CO -0.09 -0.33 0.00 -0.24 -1.51 0.00 0.00 177.10 174.93 3i5h n SER 615 N 1.51 -8.60 -1.57 -1.22 2.88 -1.26 -4.68 113.62 100.69 3i5h n SER 615 Ca -0.23 0.75 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 3i5h n SER 615 Cb 0.55 -4.49 0.00 0.00 -0.75 0.00 0.00 64.21 59.52 3i5h n SER 615 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3i5h n LYS 616 N -4.25 -0.21 0.00 -1.46 4.76 -1.26 -3.70 118.16 112.03 3i5h n LYS 616 Ca -0.01 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 3i5h n LYS 616 Cb 0.67 -0.40 0.00 0.00 -1.84 0.00 0.00 35.03 33.46 3i5h n LYS 616 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3i5h n GLU 617 N 1.90 0.00 0.01 1.97 1.02 -1.26 -1.85 120.64 122.43 3i5h n GLU 617 Ca 0.00 0.39 -0.03 0.00 -0.02 0.00 0.00 57.16 57.50 3i5h n GLU 617 Cb 0.00 -0.62 -0.02 0.00 -0.02 0.00 0.00 31.44 30.79 3i5h n GLU 617 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3i5h h PRO 618 N 0.00 -0.12 -0.35 3.49 0.13 -1.99 -2.15 132.00 131.01 3i5h h PRO 618 Ca 0.00 0.01 0.07 0.00 -0.87 0.00 0.00 66.00 65.21 3i5h h PRO 618 Cb 0.00 0.03 -0.07 0.00 0.13 0.00 0.00 31.00 31.09 3i5h h PRO 618 CO 0.00 -0.08 -0.08 -0.89 -0.23 0.00 0.00 178.00 176.72 3i5h n ILE 619 N -3.04 -0.15 0.02 -3.56 5.41 -0.88 0.36 119.36 117.52 3i5h n ILE 619 Ca -0.01 0.80 -0.01 0.00 1.00 0.00 0.00 62.75 64.52 3i5h n ILE 619 Cb 0.07 -1.10 -0.01 0.00 -0.71 0.00 0.00 39.64 37.89 3i5h n ILE 619 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3i5h h VAL 620 N 0.00 0.00 -0.65 1.39 2.07 -0.75 -2.39 116.25 115.92 3i5h h VAL 620 Ca 0.17 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.75 3i5h h VAL 620 Cb 0.26 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.95 3i5h h VAL 620 CO -0.36 0.00 -0.39 1.17 0.02 0.00 0.00 177.57 178.02 3i5h n LYS 621 N -2.42 -0.29 0.00 1.57 4.81 1.12 0.12 118.16 123.07 3i5h n LYS 621 Ca -0.01 1.23 0.00 0.00 -0.87 0.00 0.00 58.31 58.66 3i5h n LYS 621 Cb 0.03 -1.82 0.00 0.00 0.02 0.00 0.00 35.03 33.26 3i5h n LYS 621 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 3i5h n MET 622 N -4.52 0.00 0.00 1.64 2.81 -0.08 -0.58 117.12 116.39 3i5h n MET 622 Ca 0.01 0.44 0.03 0.00 -1.81 0.00 0.00 57.70 56.37 3i5h n MET 622 Cb 0.17 -1.07 0.17 0.00 -0.71 0.00 0.00 33.22 31.78 3i5h n MET 622 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3i5h n LEU 623 N -1.14 0.00 -0.50 4.03 4.77 -0.91 -2.81 117.00 120.45 3i5h n LEU 623 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 3i5h n LEU 623 Cb 0.00 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.48 3i5h n LEU 623 CO 0.00 0.00 0.75 0.49 -1.33 0.00 0.00 177.39 177.30 3i5h n PHE 624 N -0.96 0.00 0.00 -1.77 0.99 0.32 -4.85 117.46 111.19 3i5h n PHE 624 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.49 3i5h n PHE 624 Cb 0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 39.48 38.47 3i5h n PHE 624 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 3i5h n THR 625 N 0.16 0.00 0.00 4.37 -1.04 -1.12 -4.97 114.28 111.67 3i5h n THR 625 Ca 0.16 1.38 0.00 0.00 -2.04 0.00 0.00 64.05 63.55 3i5h n THR 625 Cb 0.40 -2.26 0.00 0.00 -1.82 0.00 0.00 70.33 66.65 3i5h n THR 625 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i5h n ALA 643 N -1.87 0.00 -2.96 2.41 0.00 -1.26 -5.20 120.51 111.63 3i5h n ALA 643 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3i5h n ALA 643 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i5h n ALA 643 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i5h n PHE 644 N 0.00 -2.06 -1.74 0.00 3.01 -1.26 -5.00 117.46 110.41 3i5h n PHE 644 Ca 0.00 0.91 0.00 0.00 1.01 0.00 0.00 57.45 59.37 3i5h n PHE 644 Cb 0.00 -2.54 0.00 0.00 -0.01 0.00 0.00 39.48 36.93 3i5h n PHE 644 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3i5h n GLN 645 N 0.96 0.44 -4.58 -1.08 1.13 -1.26 -4.77 117.38 108.22 3i5h n GLN 645 Ca 0.00 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.79 3i5h n GLN 645 Cb 0.26 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.53 3i5h n GLN 645 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3i5h s THR 646 N -0.19 0.80 0.01 5.09 -4.23 -1.26 -2.63 115.64 113.22 3i5h s THR 646 Ca 0.00 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.27 3i5h s THR 646 Cb 0.00 -2.33 -0.18 0.00 1.34 0.00 0.00 72.50 71.33 3i5h s THR 646 CO 0.00 0.00 1.34 0.40 -0.54 0.00 0.00 174.62 175.82 3i5h h ILE 647 N 1.69 1.34 -0.21 2.99 2.04 -1.68 -3.07 117.51 120.60 3i5h h ILE 647 Ca -0.38 -1.05 0.06 0.00 1.00 0.00 0.00 64.86 64.49 3i5h h ILE 647 Cb 1.28 1.96 -0.06 0.00 -0.74 0.00 0.00 36.82 39.26 3i5h h ILE 647 CO 0.62 0.28 -0.23 0.77 0.00 0.00 0.00 178.15 179.60 3i5h h SER 648 N -0.32 -0.72 -0.91 1.72 4.64 -1.98 0.62 113.55 116.60 3i5h h SER 648 Ca 0.01 0.13 0.23 0.00 -0.47 0.00 0.00 61.79 61.68 3i5h h SER 648 Cb 0.47 0.34 -0.13 0.00 -0.31 0.00 0.00 62.40 62.77 3i5h h SER 648 CO 0.01 -0.27 0.42 0.77 -0.87 0.00 0.00 176.83 176.89 3i5h h SER 649 N -0.24 0.37 0.44 4.97 4.64 -1.95 0.37 113.55 122.14 3i5h h SER 649 Ca 0.13 0.15 -0.02 0.00 -0.47 0.00 0.00 61.79 61.58 3i5h h SER 649 Cb 0.44 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3i5h h SER 649 CO -0.35 0.00 -0.21 0.58 -0.87 0.00 0.00 176.83 175.98 3i5h h VAL 650 N 0.41 0.00 -0.99 0.95 2.07 -0.77 -2.38 116.25 115.55 3i5h h VAL 650 Ca 0.58 -0.25 0.28 0.00 0.82 0.00 0.00 66.70 68.12 3i5h h VAL 650 Cb 1.10 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.69 3i5h h VAL 650 CO -0.53 0.00 0.05 1.57 0.02 0.00 0.00 177.57 178.68 3i5h n HIS 651 N -4.28 0.66 -0.03 1.57 -0.00 0.19 0.23 115.22 113.56 3i5h n HIS 651 Ca -0.07 1.19 -0.08 0.00 -0.00 0.00 0.00 57.72 58.75 3i5h n HIS 651 Cb 0.23 -1.26 -0.02 0.00 -0.00 0.00 0.00 29.99 28.94 3i5h n HIS 651 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 3i5h h LYS 652 N 0.00 -0.08 -0.68 1.57 1.57 -0.26 -1.99 116.57 116.70 3i5h h LYS 652 Ca 0.61 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.42 3i5h h LYS 652 Cb 1.29 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.58 3i5h h LYS 652 CO -0.92 -0.05 0.44 1.49 -0.57 0.00 0.00 179.45 179.83 3i5h h GLU 653 N -0.08 0.85 0.69 3.15 4.81 0.33 0.27 114.58 124.60 3i5h h GLU 653 Ca 0.11 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 3i5h h GLU 653 Cb 0.24 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.44 3i5h h GLU 653 CO -0.24 0.56 -0.33 1.03 -0.73 0.00 0.00 179.01 179.30 3i5h h SER 654 N 0.87 -0.79 -0.57 1.04 0.87 -1.15 -0.72 113.55 113.12 3i5h h SER 654 Ca 0.26 0.02 0.08 0.00 -1.23 0.00 0.00 61.79 60.92 3i5h h SER 654 Cb -0.04 0.20 -0.10 0.00 -0.44 0.00 0.00 62.40 62.02 3i5h h SER 654 CO -0.08 -0.41 -0.48 0.25 -0.53 0.00 0.00 176.83 175.58 3i5h h LEU 655 N -1.23 -1.65 -0.83 2.23 5.85 -1.36 0.98 115.31 119.29 3i5h h LEU 655 Ca -0.09 0.25 0.16 0.00 0.84 0.00 0.00 57.88 59.04 3i5h h LEU 655 Cb 0.72 0.73 -0.16 0.00 0.37 0.00 0.00 40.66 42.32 3i5h h LEU 655 CO 0.16 -0.35 -0.24 0.78 -0.34 0.00 0.00 178.44 178.45 3i5h h ASN 656 N -0.26 -0.87 0.45 1.25 2.35 -0.86 -1.27 115.58 116.38 3i5h h ASN 656 Ca 0.15 0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 56.13 3i5h h ASN 656 Cb 0.56 0.55 0.00 0.00 0.05 0.00 0.00 38.32 39.48 3i5h h ASN 656 CO -0.68 -0.28 -0.22 0.50 -1.65 0.00 0.00 177.43 175.10 3i5h h LYS 657 N -0.01 -0.59 -0.98 0.81 3.64 0.23 -2.85 116.57 116.82 3i5h h LYS 657 Ca 0.38 0.04 0.28 0.00 -1.27 0.00 0.00 60.65 60.08 3i5h h LYS 657 Cb 0.61 0.13 -0.18 0.00 -0.41 0.00 0.00 32.23 32.38 3i5h h LYS 657 CO -0.86 -0.30 0.04 -0.11 -2.27 0.00 0.00 179.45 175.95 3i5h n LEU 658 N -5.27 -0.10 0.10 5.20 7.94 0.13 -1.76 117.00 123.24 3i5h n LEU 658 Ca -0.11 1.67 -0.13 0.00 -1.11 0.00 0.00 56.01 56.33 3i5h n LEU 658 Cb 0.30 -0.61 -0.08 0.00 0.53 0.00 0.00 43.42 43.55 3i5h n LEU 658 CO 0.33 -1.70 0.60 0.24 -1.11 0.00 0.00 177.39 175.75 3i5h h MET 659 N 0.00 -0.25 -1.27 1.96 2.86 -1.27 0.31 114.93 117.27 3i5h h MET 659 Ca 0.60 0.02 0.37 0.00 -2.06 0.00 0.00 59.70 58.63 3i5h h MET 659 Cb 1.26 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.93 3i5h h MET 659 CO -0.92 0.08 0.93 -0.22 1.06 0.00 0.00 176.91 177.84 3i5h h LYS 660 N -0.61 0.00 0.04 1.72 1.63 -1.10 1.38 116.57 119.62 3i5h h LYS 660 Ca -0.03 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.55 3i5h h LYS 660 Cb 0.45 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.10 3i5h h LYS 660 CO 0.04 0.00 -0.89 -0.91 -3.45 0.00 0.00 179.45 174.24 3i5h h ASN 661 N 0.00 0.71 0.13 4.20 -0.26 -0.74 -3.23 115.58 116.40 3i5h h ASN 661 Ca 0.60 -0.79 -0.01 0.00 -0.56 0.00 0.00 56.30 55.55 3i5h h ASN 661 Cb 2.46 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 39.50 3i5h h ASN 661 CO -0.01 1.42 -0.06 -0.07 -1.06 0.00 0.00 177.43 177.65 3i5h h LEU 662 N 0.10 -0.15 -1.22 1.61 3.38 0.38 -3.09 115.31 116.31 3i5h h LEU 662 Ca -0.12 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3i5h h LEU 662 Cb 1.59 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.38 3i5h h LEU 662 CO 0.17 0.28 0.03 -1.22 0.09 0.00 0.00 178.44 177.79 3i5h n TYR 663 N -4.97 0.62 0.15 1.13 4.02 0.77 -0.07 117.16 118.81 3i5h n TYR 663 Ca -0.09 0.33 0.08 0.00 -0.01 0.00 0.00 57.90 58.21 3i5h n TYR 663 Cb 0.24 -1.00 0.07 0.00 -0.02 0.00 0.00 39.34 38.63 3i5h n TYR 663 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 3i5h h SER 664 N 0.00 0.00 -2.16 7.72 0.02 -1.55 -3.46 113.55 114.12 3i5h h SER 664 Ca 0.00 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.49 3i5h h SER 664 Cb 0.06 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 3i5h h SER 664 CO 0.00 0.21 -0.38 0.42 -1.14 0.00 0.00 176.83 175.94 3i5h s THR 665 N -3.14 4.93 -0.29 -2.27 -4.23 0.89 -4.78 115.64 106.76 3i5h s THR 665 Ca 0.04 -0.94 -0.19 0.00 -1.18 0.00 0.00 61.69 59.42 3i5h s THR 665 Cb 0.07 -3.74 -0.02 0.00 1.34 0.00 0.00 72.50 70.15 3i5h s THR 665 CO 0.73 -0.31 0.55 -2.28 -0.54 0.00 0.00 174.62 172.78 3i5h s HIS 666 N -2.07 3.24 0.64 3.99 2.46 -0.81 -4.84 115.29 117.90 3i5h s HIS 666 Ca 0.38 0.56 -0.09 0.00 0.47 0.00 0.00 55.06 56.38 3i5h s HIS 666 Cb -0.09 -2.83 0.00 0.00 -0.13 0.00 0.00 32.58 29.53 3i5h s HIS 666 CO 0.30 -0.38 0.99 -1.25 -2.47 0.00 0.00 174.74 171.93 3i5h s PRO 667 N 2.42 2.98 -0.23 2.88 0.04 -1.26 -0.84 135.00 140.99 3i5h s PRO 667 Ca 0.22 0.26 -0.11 0.00 0.04 0.00 0.00 61.00 61.41 3i5h s PRO 667 Cb -0.15 -2.16 0.08 0.00 0.04 0.00 0.00 34.50 32.31 3i5h s PRO 667 CO 0.10 -0.80 0.54 -1.01 0.04 0.00 0.00 177.00 175.87 3i5h s HIS 668 N -3.15 -0.87 -0.23 0.56 3.76 -0.61 -4.87 115.29 109.88 3i5h s HIS 668 Ca 0.55 1.73 -0.03 0.00 -0.15 0.00 0.00 55.06 57.16 3i5h s HIS 668 Cb -0.11 0.46 -0.00 0.00 1.11 0.00 0.00 32.58 34.04 3i5h s HIS 668 CO 0.49 -0.46 -0.05 -0.06 -0.85 0.00 0.00 174.74 173.81 3i5h s PHE 669 N 1.78 2.97 -0.10 1.40 0.40 -1.26 -0.89 117.98 122.28 3i5h s PHE 669 Ca -0.08 -1.07 -0.02 0.00 -0.60 0.00 0.00 56.93 55.16 3i5h s PHE 669 Cb -0.08 -2.10 -0.03 0.00 0.51 0.00 0.00 43.02 41.32 3i5h s PHE 669 CO -0.16 -0.59 -0.02 0.08 0.70 0.00 0.00 175.22 175.23 3i5h s VAL 670 N 1.45 4.15 -0.30 -0.44 1.01 0.68 -2.60 120.40 124.35 3i5h s VAL 670 Ca 0.05 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.74 3i5h s VAL 670 Cb -0.15 -2.76 0.07 0.00 0.00 0.00 0.00 36.38 33.55 3i5h s VAL 670 CO -0.04 0.58 -0.01 -0.13 0.00 0.00 0.00 175.10 175.50 3i5h s ARG 671 N -0.60 2.17 0.32 2.72 1.81 -0.97 -0.64 118.95 123.75 3i5h s ARG 671 Ca 0.10 -1.45 -0.10 0.00 -1.72 0.00 0.00 55.73 52.55 3i5h s ARG 671 Cb -0.12 -3.12 -0.07 0.00 -0.45 0.00 0.00 34.95 31.19 3i5h s ARG 671 CO 0.02 -0.70 0.66 0.00 -0.68 0.00 0.00 175.30 174.61 3i5h s ILE 673 N -2.07 -0.05 0.11 0.00 1.01 0.30 -4.00 121.20 116.50 3i5h s ILE 673 Ca 0.50 0.16 -0.30 0.00 0.00 0.00 0.00 60.65 61.01 3i5h s ILE 673 Cb -0.11 -0.34 -0.06 0.00 0.01 0.00 0.00 42.46 41.96 3i5h s ILE 673 CO 0.25 0.07 1.11 -0.63 0.00 0.00 0.00 174.94 175.73 3i5h s ILE 674 N 1.27 4.07 -0.09 2.92 1.01 -1.26 -2.10 121.20 127.03 3i5h s ILE 674 Ca -0.09 1.63 0.15 0.00 0.00 0.00 0.00 60.65 62.35 3i5h s ILE 674 Cb -0.11 -4.05 -0.18 0.00 0.01 0.00 0.00 42.46 38.14 3i5h s ILE 674 CO -0.08 0.21 0.75 -0.81 0.00 0.00 0.00 174.94 175.01 3i5h n PRO 675 N 3.11 0.63 -3.63 2.79 -0.04 -1.26 -4.49 135.00 132.11 3i5h n PRO 675 Ca 0.05 0.25 -0.12 0.00 -0.04 0.00 0.00 63.50 63.65 3i5h n PRO 675 Cb 0.47 -1.80 -0.05 0.00 -0.04 0.00 0.00 33.50 32.08 3i5h n PRO 675 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3i5h s ASN 676 N -5.90 -0.29 0.29 3.54 2.20 -1.26 0.23 114.94 113.74 3i5h s ASN 676 Ca -0.04 -0.13 0.06 0.00 -0.94 0.00 0.00 52.86 51.81 3i5h s ASN 676 Cb 0.08 0.46 0.44 0.00 -2.00 0.00 0.00 41.25 40.23 3i5h s ASN 676 CO 0.82 -0.77 1.69 -0.33 -2.94 0.00 0.00 177.10 175.57 3i5h h GLU 677 N 2.64 0.26 -4.10 3.55 4.39 -1.96 -3.38 114.58 115.98 3i5h h GLU 677 Ca -0.33 -0.12 -0.77 0.00 0.34 0.00 0.00 59.36 58.48 3i5h h GLU 677 Cb 1.23 -0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 29.64 3i5h h GLU 677 CO 0.45 0.63 0.58 -0.51 -1.16 0.00 0.00 179.01 179.00 3i5h s LEU 678 N -8.26 6.02 0.00 1.33 1.43 -1.26 -4.95 118.68 112.99 3i5h s LEU 678 Ca -0.05 -2.98 0.00 0.00 -1.03 0.00 0.00 54.13 50.07 3i5h s LEU 678 Cb 0.13 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 44.08 3i5h s LEU 678 CO 0.78 -0.58 0.08 0.29 0.23 0.00 0.00 176.35 177.15 3i5h n LYS 679 N 4.22 0.00 -3.56 1.70 5.02 -1.26 -4.77 118.16 119.51 3i5h n LYS 679 Ca 0.23 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.34 3i5h n LYS 679 Cb 0.44 -0.11 -0.14 0.00 -0.02 0.00 0.00 35.03 35.20 3i5h n LYS 679 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3i5h s THR 680 N 0.15 -0.29 0.98 -0.18 2.01 -1.26 -5.07 115.64 111.98 3i5h s THR 680 Ca 0.00 0.03 -0.17 0.00 0.31 0.00 0.00 61.69 61.86 3i5h s THR 680 Cb 0.00 -0.55 -0.14 0.00 0.01 0.00 0.00 72.50 71.82 3i5h s THR 680 CO 0.00 -0.10 -0.69 -2.65 -0.69 0.00 0.00 174.62 170.49 3i5h n PRO 681 N 5.32 -0.02 0.00 4.92 -0.02 -1.26 -3.31 135.00 140.64 3i5h n PRO 681 Ca -0.05 -0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 3i5h n PRO 681 Cb 0.50 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.91 3i5h n PRO 681 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i5h n GLY 682 N 3.31 0.57 3.80 -1.23 0.00 -1.26 -4.95 105.19 105.43 3i5h n GLY 682 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3i5h n GLY 682 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i5h s LEU 683 N 0.00 3.16 -0.22 0.99 2.96 -1.21 -4.60 118.68 119.76 3i5h s LEU 683 Ca 0.00 1.72 -0.03 0.00 -0.22 0.00 0.00 54.13 55.59 3i5h s LEU 683 Cb 0.00 -4.51 0.10 0.00 0.50 0.00 0.00 46.19 42.29 3i5h s LEU 683 CO 0.00 -1.58 0.25 -0.63 -1.32 0.00 0.00 176.35 173.07 3i5h s ILE 684 N -2.90 -0.37 -0.65 6.68 -1.09 -1.25 -4.48 121.20 117.14 3i5h s ILE 684 Ca 0.60 -0.18 -0.26 0.00 -2.23 0.00 0.00 60.65 58.58 3i5h s ILE 684 Cb -0.15 -0.75 0.04 0.00 -1.58 0.00 0.00 42.46 40.02 3i5h s ILE 684 CO 0.52 -0.25 1.12 -0.62 -1.23 0.00 0.00 174.94 174.49 3i5h s ASP 685 N 2.35 6.26 0.00 3.58 -1.08 0.62 -4.95 116.67 123.46 3i5h s ASP 685 Ca 0.08 -0.42 0.00 0.00 -0.52 0.00 0.00 52.55 51.69 3i5h s ASP 685 Cb -0.15 -2.50 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 3i5h s ASP 685 CO -0.16 -1.55 0.52 0.00 0.52 0.00 0.00 175.17 174.50 3i5h n ALA 686 N 8.42 -0.00 -0.33 3.66 0.00 -1.26 -0.68 120.51 130.31 3i5h n ALA 686 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.55 3i5h n ALA 686 Cb 0.48 0.24 0.17 0.00 0.00 0.00 0.00 19.45 20.34 3i5h n ALA 686 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i5h n ALA 687 N -1.05 0.30 0.06 0.00 0.00 -1.26 -0.53 120.51 118.03 3i5h n ALA 687 Ca 0.00 1.02 -0.11 0.00 0.00 0.00 0.00 53.44 54.35 3i5h n ALA 687 Cb 0.00 -0.65 -0.05 0.00 0.00 0.00 0.00 19.45 18.74 3i5h n ALA 687 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3i5h h LEU 688 N 0.00 -0.27 0.57 0.00 5.85 -1.81 0.33 115.31 119.99 3i5h h LEU 688 Ca 0.48 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 59.22 3i5h h LEU 688 Cb 0.83 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 3i5h h LEU 688 CO -0.94 -0.14 -0.34 0.58 -0.34 0.00 0.00 178.44 177.27 3i5h h VAL 689 N -0.17 0.31 -0.21 1.05 2.07 0.15 -1.62 116.25 117.82 3i5h h VAL 689 Ca 0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.58 3i5h h VAL 689 Cb 0.21 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 3i5h h VAL 689 CO -0.08 0.00 -0.35 -0.07 0.02 0.00 0.00 177.57 177.09 3i5h h LEU 690 N -0.86 -1.15 -0.95 2.57 3.38 -0.75 0.70 115.31 118.26 3i5h h LEU 690 Ca -0.07 0.15 0.21 0.00 0.09 0.00 0.00 57.88 58.26 3i5h h LEU 690 Cb 0.69 0.47 -0.18 0.00 0.09 0.00 0.00 40.66 41.73 3i5h h LEU 690 CO 0.08 -0.27 -0.16 -0.74 0.09 0.00 0.00 178.44 177.44 3i5h h HIS 691 N -0.28 -0.36 -0.61 1.13 2.76 -0.20 0.82 115.15 118.40 3i5h h HIS 691 Ca 0.04 0.08 0.07 0.00 -2.20 0.00 0.00 60.37 58.36 3i5h h HIS 691 Cb 0.39 0.31 -0.06 0.00 1.55 0.00 0.00 27.41 29.60 3i5h h HIS 691 CO -0.64 -0.41 0.29 1.96 -1.30 0.00 0.00 177.93 177.83 3i5h h GLN 692 N 0.01 0.52 -0.56 5.26 4.20 0.07 -1.80 115.11 122.80 3i5h h GLN 692 Ca 0.49 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 59.23 3i5h h GLN 692 Cb 0.83 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.46 3i5h h GLN 692 CO -0.95 0.34 0.37 -0.07 -0.67 0.00 0.00 178.83 177.86 3i5h h LEU 693 N 0.53 0.48 -0.05 1.46 3.38 0.24 1.19 115.31 122.53 3i5h h LEU 693 Ca 0.29 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.05 3i5h h LEU 693 Cb 0.27 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.93 3i5h h LEU 693 CO -0.23 0.31 -0.77 0.03 0.09 0.00 0.00 178.44 177.87 3i5h h ARG 694 N 0.54 0.62 -0.17 1.13 3.08 -0.82 -2.04 114.38 116.73 3i5h h ARG 694 Ca 0.24 -0.59 -0.16 0.00 0.07 0.00 0.00 59.98 59.54 3i5h h ARG 694 Cb 0.26 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3i5h h ARG 694 CO -0.07 1.21 -0.57 0.00 -1.07 0.00 0.00 179.97 179.47 3i5h h ASN 696 N 0.39 -0.91 0.00 0.00 2.35 0.15 -3.43 115.58 114.14 3i5h h ASN 696 Ca 0.00 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3i5h h ASN 696 Cb 1.11 0.40 0.00 0.00 0.05 0.00 0.00 38.32 39.88 3i5h h ASN 696 CO 0.10 -0.33 0.00 0.61 -1.65 0.00 0.00 177.43 176.17 3i5h n GLY 697 N -1.40 1.74 0.30 2.83 0.00 -0.81 -4.93 105.19 102.91 3i5h n GLY 697 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.09 3i5h n GLY 697 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i5h h VAL 698 N 0.00 0.51 0.00 1.61 2.07 -1.80 0.97 116.25 119.61 3i5h h VAL 698 Ca 0.00 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.31 3i5h h VAL 698 Cb 0.00 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 3i5h h VAL 698 CO 0.00 0.07 -0.41 -0.07 0.02 0.00 0.00 177.57 177.18 3i5h h LEU 699 N 0.37 0.00 -0.41 2.57 3.38 -1.74 -2.93 115.31 116.55 3i5h h LEU 699 Ca 0.49 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.33 3i5h h LEU 699 Cb 0.88 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 3i5h h LEU 699 CO -0.51 0.41 -0.64 -0.08 0.09 0.00 0.00 178.44 177.71 3i5h h GLU 700 N 0.00 0.00 0.08 1.13 4.57 0.34 -2.17 114.58 118.54 3i5h h GLU 700 Ca -0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3i5h h GLU 700 Cb 1.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 3i5h h GLU 700 CO 0.05 0.64 -0.04 0.78 -1.18 0.00 0.00 179.01 179.26 3i5h h GLY 701 N 2.63 -0.12 0.64 1.92 0.00 0.49 -2.68 103.07 105.95 3i5h h GLY 701 Ca -0.01 0.04 0.18 0.00 0.00 0.00 0.00 47.33 47.55 3i5h h GLY 701 CO 0.08 -0.04 0.50 -2.22 0.00 0.00 0.00 176.54 174.86 3i5h h ILE 702 N -0.57 0.71 0.28 2.60 2.04 -1.50 0.73 117.51 121.81 3i5h h ILE 702 Ca -0.01 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 3i5h h ILE 702 Cb 0.47 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3i5h h ILE 702 CO 0.02 0.03 -0.14 -0.09 0.00 0.00 0.00 178.15 177.98 3i5h h ARG 703 N 0.18 -0.37 -0.55 2.37 2.43 -1.10 0.34 114.38 117.68 3i5h h ARG 703 Ca 0.35 0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.43 3i5h h ARG 703 Cb 1.12 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 3i5h h ARG 703 CO -0.06 -0.19 -0.11 0.82 -1.51 0.00 0.00 179.97 178.92 3i5h h ILE 704 N -0.46 1.27 -0.46 1.20 2.04 -0.64 -2.69 117.51 117.78 3i5h h ILE 704 Ca -0.04 -1.27 0.09 0.00 1.00 0.00 0.00 64.86 64.64 3i5h h ILE 704 Cb 0.34 0.95 -0.08 0.00 -0.74 0.00 0.00 36.82 37.30 3i5h h ILE 704 CO 0.06 0.45 -0.01 0.00 0.00 0.00 0.00 178.15 178.65 3i5h h ARG 706 N 0.10 -0.42 0.00 0.00 3.08 0.01 -1.16 114.38 115.99 3i5h h ARG 706 Ca 0.23 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3i5h h ARG 706 Cb 0.34 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3i5h h ARG 706 CO -0.39 -0.28 0.04 0.36 -1.07 0.00 0.00 179.97 178.64 3i5h n LYS 707 N -5.43 0.00 0.00 0.04 2.85 -0.99 -4.63 118.16 110.01 3i5h n LYS 707 Ca -0.03 0.19 0.00 0.00 -1.05 0.00 0.00 58.31 57.42 3i5h n LYS 707 Cb 0.36 -1.54 0.00 0.00 -0.65 0.00 0.00 35.03 33.19 3i5h n LYS 707 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3i5h n GLY 708 N -1.14 6.01 3.21 2.58 0.00 -0.44 -5.07 105.19 110.34 3i5h n GLY 708 Ca 0.00 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 43.81 3i5h n GLY 708 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i5h s PHE 709 N 1.43 3.89 0.07 1.61 0.40 -1.26 -4.62 117.98 119.50 3i5h s PHE 709 Ca 0.00 -2.71 -0.25 0.00 -0.60 0.00 0.00 56.93 53.37 3i5h s PHE 709 Cb 0.00 -3.50 -0.16 0.00 0.51 0.00 0.00 43.02 39.87 3i5h s PHE 709 CO 0.00 -0.86 1.64 -1.00 0.70 0.00 0.00 175.22 175.71 3i5h h PRO 710 N 6.66 -0.19 -6.45 0.24 0.13 -1.67 -3.42 132.00 127.31 3i5h h PRO 710 Ca 0.13 0.01 -0.54 0.00 -0.87 0.00 0.00 66.00 64.73 3i5h h PRO 710 Cb 0.89 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.05 3i5h h PRO 710 CO 0.85 -0.07 0.40 -0.80 -0.23 0.00 0.00 178.00 178.16 3i5h s ASN 711 N -5.08 7.34 -0.02 1.44 0.01 -1.22 -4.86 114.94 112.55 3i5h s ASN 711 Ca -0.14 1.74 0.01 0.00 -0.71 0.00 0.00 52.86 53.76 3i5h s ASN 711 Cb 0.05 -2.57 0.02 0.00 0.41 0.00 0.00 41.25 39.15 3i5h s ASN 711 CO 0.65 -0.26 -0.02 -0.13 -1.51 0.00 0.00 177.10 175.83 3i5h s ARG 712 N 0.84 0.38 -0.05 -0.60 0.52 -1.26 0.81 118.95 119.60 3i5h s ARG 712 Ca 0.52 -0.02 0.03 0.00 -0.52 0.00 0.00 55.73 55.74 3i5h s ARG 712 Cb -0.23 -0.48 0.00 0.00 0.52 0.00 0.00 34.95 34.77 3i5h s ARG 712 CO 0.29 -0.06 -0.14 0.42 0.02 0.00 0.00 175.30 175.83 3i5h s ILE 713 N 0.64 1.18 0.46 1.52 1.09 -0.95 -4.88 121.20 120.27 3i5h s ILE 713 Ca -0.07 -0.55 -0.24 0.00 -1.10 0.00 0.00 60.65 58.69 3i5h s ILE 713 Cb -0.10 -1.04 -0.07 0.00 -1.06 0.00 0.00 42.46 40.19 3i5h s ILE 713 CO -0.01 0.35 1.33 -0.63 -0.10 0.00 0.00 174.94 175.89 3i5h s ILE 714 N 0.26 2.38 0.12 2.92 1.01 -1.26 -0.25 121.20 126.38 3i5h s ILE 714 Ca -0.07 0.31 -0.26 0.00 0.00 0.00 0.00 60.65 60.63 3i5h s ILE 714 Cb -0.12 -3.17 -0.06 0.00 0.01 0.00 0.00 42.46 39.12 3i5h s ILE 714 CO 0.02 0.03 1.63 1.88 0.00 0.00 0.00 174.94 178.50 3i5h h TYR 715 N 2.15 -0.73 -0.93 3.97 0.99 -1.82 -1.83 116.97 118.77 3i5h h TYR 715 Ca -0.50 0.02 0.28 0.00 2.00 0.00 0.00 58.73 60.53 3i5h h TYR 715 Cb 1.27 0.32 -0.16 0.00 1.00 0.00 0.00 36.73 39.16 3i5h h TYR 715 CO 0.50 -0.37 0.28 0.66 -0.00 0.00 0.00 178.16 179.23 3i5h h SER 716 N -0.43 0.02 -0.31 3.88 4.64 -1.89 0.70 113.55 120.16 3i5h h SER 716 Ca 0.06 0.22 -0.12 0.00 -0.47 0.00 0.00 61.79 61.48 3i5h h SER 716 Cb 0.50 0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.87 3i5h h SER 716 CO -0.22 -0.23 -0.24 -0.33 -0.87 0.00 0.00 176.83 174.95 3i5h h GLU 717 N 0.16 0.80 -0.57 4.77 5.08 -1.78 -1.40 114.58 121.63 3i5h h GLU 717 Ca 0.62 -0.33 -0.10 0.00 -1.00 0.00 0.00 59.36 58.55 3i5h h GLU 717 Cb 1.35 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 3i5h h GLU 717 CO -0.71 0.95 -0.05 0.35 -1.00 0.00 0.00 179.01 178.55 3i5h h PHE 718 N 0.69 1.14 0.77 4.33 3.57 0.10 -2.86 116.94 124.69 3i5h h PHE 718 Ca 0.09 -0.21 -0.04 0.00 3.53 0.00 0.00 57.97 61.34 3i5h h PHE 718 Cb 0.76 -0.29 0.01 0.00 2.79 0.00 0.00 35.95 39.22 3i5h h PHE 718 CO 0.04 1.03 -0.37 -0.22 -2.23 0.00 0.00 178.31 176.56 3i5h h LYS 719 N 0.94 -1.00 0.00 1.11 3.64 -0.37 -1.69 116.57 119.19 3i5h h LYS 719 Ca 0.16 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3i5h h LYS 719 Cb 0.61 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3i5h h LYS 719 CO 0.04 -0.66 0.24 0.37 -2.27 0.00 0.00 179.45 177.16 3i5h h GLN 720 N -1.06 0.00 0.00 1.90 4.15 -1.21 -3.00 115.11 115.89 3i5h h GLN 720 Ca -0.11 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 58.98 3i5h h GLN 720 Cb 0.80 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.43 3i5h h GLN 720 CO 0.17 0.00 -2.26 -2.13 -1.93 0.00 0.00 178.83 172.68 3i5h n ARG 721 N -2.62 0.87 -0.00 1.69 3.00 -0.87 -4.75 116.66 113.98 3i5h n ARG 721 Ca -0.02 0.05 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 3i5h n ARG 721 Cb 0.28 -1.46 0.00 0.00 0.00 0.00 0.00 32.46 31.28 3i5h n ARG 721 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3i5h n TYR 722 N -2.87 0.00 -0.33 -0.14 4.02 -0.69 -4.62 117.16 112.52 3i5h n TYR 722 Ca -0.34 -0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.59 3i5h n TYR 722 Cb 1.02 -0.00 0.11 0.00 -0.02 0.00 0.00 39.34 40.45 3i5h n TYR 722 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 3i5h h SER 723 N 0.01 -0.94 -1.35 7.72 0.02 -1.72 2.34 113.55 119.64 3i5h h SER 723 Ca 0.00 0.28 0.41 0.00 -0.84 0.00 0.00 61.79 61.64 3i5h h SER 723 Cb 0.00 0.59 -0.08 0.00 0.14 0.00 0.00 62.40 63.06 3i5h h SER 723 CO 0.00 -0.30 0.94 0.00 -1.14 0.00 0.00 176.83 176.33 3i5h n ILE 724 N -5.57 -0.07 0.20 3.27 3.06 -1.26 0.13 119.36 119.12 3i5h n ILE 724 Ca 0.13 1.24 0.06 0.00 -2.50 0.00 0.00 62.75 61.68 3i5h n ILE 724 Cb 0.45 -2.04 0.43 0.00 0.54 0.00 0.00 39.64 39.01 3i5h n ILE 724 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 3i5h h LEU 725 N 0.00 0.00 -5.29 9.51 3.38 0.36 -3.34 115.31 119.94 3i5h h LEU 725 Ca 0.71 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 58.35 3i5h h LEU 725 Cb 2.64 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 43.12 3i5h h LEU 725 CO -0.14 0.32 -0.78 0.00 0.09 0.00 0.00 178.44 177.93 3i5h n ALA 726 N -2.34 1.23 -0.73 1.53 0.00 0.35 -5.02 120.51 115.52 3i5h n ALA 726 Ca -0.01 -2.29 -0.33 0.00 0.00 0.00 0.00 53.44 50.81 3i5h n ALA 726 Cb 0.42 -1.02 0.15 0.00 0.00 0.00 0.00 19.45 19.00 3i5h n ALA 726 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3i5h n PRO 727 N 0.06 -1.00 -3.56 0.00 -0.04 -0.81 -4.92 135.00 124.72 3i5h n PRO 727 Ca 0.10 -0.26 -0.13 0.00 -0.04 0.00 0.00 63.50 63.17 3i5h n PRO 727 Cb 0.74 -1.75 -0.05 0.00 -0.04 0.00 0.00 33.50 32.40 3i5h n PRO 727 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3i5h s ASN 728 N -1.90 -0.46 0.61 3.54 2.20 -1.26 -5.05 114.94 112.63 3i5h s ASN 728 Ca 0.56 0.51 0.15 0.00 -0.94 0.00 0.00 52.86 53.14 3i5h s ASN 728 Cb -0.16 0.39 0.81 0.00 -2.00 0.00 0.00 41.25 40.30 3i5h s ASN 728 CO 0.67 -0.42 1.43 0.00 -2.94 0.00 0.00 177.10 175.85 3i5h h ALA 729 N 2.73 1.59 -2.32 3.54 0.00 -2.05 -3.42 119.26 119.33 3i5h h ALA 729 Ca -0.21 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.15 3i5h h ALA 729 Cb 1.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3i5h h ALA 729 CO 0.33 -0.59 0.84 0.08 0.00 0.00 0.00 179.25 179.90 3i5h s VAL 730 N -3.92 3.88 0.12 0.00 1.01 -1.26 -4.93 120.40 115.30 3i5h s VAL 730 Ca -0.02 1.22 -0.35 0.00 0.00 0.00 0.00 61.98 62.83 3i5h s VAL 730 Cb 0.04 -3.78 -0.17 0.00 0.00 0.00 0.00 36.38 32.47 3i5h s VAL 730 CO 0.14 -0.02 1.11 -2.65 0.00 0.00 0.00 175.10 173.67 3i5h n PRO 731 N 5.64 0.77 0.00 2.72 -0.02 -1.26 -4.74 135.00 138.11 3i5h n PRO 731 Ca 0.13 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3i5h n PRO 731 Cb 0.44 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 3i5h n PRO 731 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3i5h n SER 732 N 1.99 0.00 0.02 2.55 7.64 -1.26 -2.23 113.62 122.33 3i5h n SER 732 Ca 0.17 0.17 0.01 0.00 1.01 0.00 0.00 58.87 60.24 3i5h n SER 732 Cb 0.20 -0.17 -0.09 0.00 -1.01 0.00 0.00 64.21 63.14 3i5h n SER 732 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i5h n GLY 733 N -1.09 -1.18 0.69 0.23 0.00 -1.26 -4.29 105.19 98.28 3i5h n GLY 733 Ca 0.00 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 45.90 3i5h n GLY 733 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i5h n PHE 734 N -2.79 0.21 -2.96 1.61 0.99 -0.95 -4.96 117.46 108.61 3i5h n PHE 734 Ca -0.10 -0.17 -0.41 0.00 -0.00 0.00 0.00 57.45 56.76 3i5h n PHE 734 Cb 0.82 -0.01 -0.05 0.00 -1.00 0.00 0.00 39.48 39.24 3i5h n PHE 734 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3i5h s ALA 735 N -1.16 3.57 0.37 4.37 0.00 -1.23 -5.04 121.76 122.64 3i5h s ALA 735 Ca 0.22 -0.13 -0.27 0.00 0.00 0.00 0.00 51.96 51.79 3i5h s ALA 735 Cb 0.14 -3.17 -0.09 0.00 0.00 0.00 0.00 23.12 20.00 3i5h s ALA 735 CO 0.20 -0.72 1.21 0.34 0.00 0.00 0.00 175.76 176.78 3i5h s ASP 736 N 1.25 6.63 0.03 0.00 -1.08 -1.26 -4.97 116.67 117.26 3i5h s ASP 736 Ca 0.34 2.45 -0.28 0.00 -0.52 0.00 0.00 52.55 54.54 3i5h s ASP 736 Cb -0.16 -2.63 -0.17 0.00 -1.46 0.00 0.00 42.92 38.51 3i5h s ASP 736 CO 0.10 -0.61 1.31 1.23 0.52 0.00 0.00 175.17 177.72 3i5h h GLY 737 N 2.93 -0.74 -0.72 2.66 0.00 -1.96 -2.98 103.07 102.26 3i5h h GLY 737 Ca -0.49 0.28 0.08 0.00 0.00 0.00 0.00 47.33 47.20 3i5h h GLY 737 CO 0.64 -0.27 -0.54 1.70 0.00 0.00 0.00 176.54 178.06 3i5h h LYS 738 N -0.94 -0.17 0.00 4.80 3.64 -1.93 -0.88 116.57 121.09 3i5h h LYS 738 Ca -0.07 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3i5h h LYS 738 Cb 0.62 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3i5h h LYS 738 CO 0.12 -0.11 0.00 0.28 -2.27 0.00 0.00 179.45 177.47 3i5h n VAL 739 N -5.33 0.00 -0.14 2.00 0.31 -1.22 0.34 118.33 114.29 3i5h n VAL 739 Ca 0.01 1.28 -0.04 0.00 -0.01 0.00 0.00 64.34 65.58 3i5h n VAL 739 Cb 0.31 -1.92 -0.03 0.00 -0.91 0.00 0.00 33.84 31.29 3i5h n VAL 739 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3i5h n VAL 740 N -1.91 -0.23 -0.36 2.52 0.31 -1.01 0.10 118.33 117.75 3i5h n VAL 740 Ca 0.00 1.65 -0.05 0.00 -0.01 0.00 0.00 64.34 65.92 3i5h n VAL 740 Cb 0.00 -2.12 -0.01 0.00 -0.91 0.00 0.00 33.84 30.80 3i5h n VAL 740 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3i5h h THR 741 N 0.00 0.02 0.00 2.52 2.02 -0.90 1.57 112.91 118.14 3i5h h THR 741 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.23 3i5h h THR 741 Cb 0.14 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 3i5h h THR 741 CO -0.32 0.00 0.00 -0.67 0.37 0.00 0.00 175.52 174.90 3i5h n ASP 742 N -5.39 0.00 -0.33 4.18 -0.08 0.19 -1.80 116.55 113.31 3i5h n ASP 742 Ca 0.06 0.68 0.36 0.00 -1.51 0.00 0.00 54.79 54.38 3i5h n ASP 742 Cb 0.35 -0.18 0.67 0.00 2.34 0.00 0.00 41.12 44.29 3i5h n ASP 742 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3i5h h LYS 743 N 0.00 0.00 -0.35 -0.67 1.57 0.23 0.33 116.57 117.68 3i5h h LYS 743 Ca 0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 3i5h h LYS 743 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3i5h h LYS 743 CO 0.00 0.00 -0.43 0.00 -0.57 0.00 0.00 179.45 178.45 3i5h h ALA 744 N 1.01 0.57 0.06 3.86 0.00 0.30 -2.81 119.26 122.24 3i5h h ALA 744 Ca 0.59 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3i5h h ALA 744 Cb 2.74 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 20.42 3i5h h ALA 744 CO -0.01 0.68 -0.03 -0.07 0.00 0.00 0.00 179.25 179.82 3i5h h LEU 745 N 0.72 -0.07 -0.92 0.00 3.38 0.16 -2.43 115.31 116.15 3i5h h LEU 745 Ca 0.05 -0.54 0.25 0.00 0.09 0.00 0.00 57.88 57.73 3i5h h LEU 745 Cb 1.02 0.02 -0.16 0.00 0.09 0.00 0.00 40.66 41.63 3i5h h LEU 745 CO 0.10 0.54 0.08 0.28 0.09 0.00 0.00 178.44 179.53 3i5h h SER 746 N -0.72 -0.33 -0.89 -0.43 0.02 -1.56 0.83 113.55 110.46 3i5h h SER 746 Ca -0.01 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3i5h h SER 746 Cb 0.60 0.41 -0.04 0.00 0.14 0.00 0.00 62.40 63.50 3i5h h SER 746 CO 0.01 -0.28 0.57 0.00 -1.14 0.00 0.00 176.83 175.99 3i5h h ALA 747 N 1.89 1.32 -0.30 3.77 0.00 -1.43 -0.77 119.26 123.73 3i5h h ALA 747 Ca 0.56 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3i5h h ALA 747 Cb 1.13 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3i5h h ALA 747 CO -0.81 0.61 0.00 1.28 0.00 0.00 0.00 179.25 180.33 3i5h n LEU 748 N -4.38 1.80 -3.26 0.00 4.77 0.26 -4.96 117.00 111.23 3i5h n LEU 748 Ca 0.10 -0.87 -0.20 0.00 -0.03 0.00 0.00 56.01 55.02 3i5h n LEU 748 Cb 0.04 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 40.95 3i5h n LEU 748 CO 0.37 0.43 -0.33 0.00 -1.33 0.00 0.00 177.39 176.54 3i5h n GLN 749 N 0.46 -1.58 -4.41 3.23 6.02 0.28 -4.94 117.38 116.44 3i5h n GLN 749 Ca 0.13 1.42 -0.34 0.00 -0.01 0.00 0.00 57.00 58.20 3i5h n GLN 749 Cb 0.30 -2.42 -0.14 0.00 1.02 0.00 0.00 30.24 29.00 3i5h n GLN 749 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3i5h s LEU 750 N -1.93 2.91 -0.47 1.08 2.96 -1.23 -5.02 118.68 116.97 3i5h s LEU 750 Ca 0.21 -0.30 -0.38 0.00 -0.22 0.00 0.00 54.13 53.45 3i5h s LEU 750 Cb -0.03 -1.69 -0.15 0.00 0.50 0.00 0.00 46.19 44.82 3i5h s LEU 750 CO 0.57 0.11 2.23 -0.67 -1.32 0.00 0.00 176.35 177.27 3i5h n ASP 751 N 3.91 1.40 0.19 3.68 -0.08 -1.26 -4.66 116.55 119.73 3i5h n ASP 751 Ca -0.18 0.46 0.05 0.00 -1.51 0.00 0.00 54.79 53.62 3i5h n ASP 751 Cb 0.52 -1.10 0.29 0.00 2.34 0.00 0.00 41.12 43.18 3i5h n ASP 751 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3i5h h PRO 752 N 11.26 0.00 0.00 -0.67 0.13 -1.95 0.55 132.00 141.31 3i5h h PRO 752 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3i5h h PRO 752 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 3i5h h PRO 752 CO 1.09 0.00 0.00 -0.91 -0.23 0.00 0.00 178.00 177.95 3i5h h ASN 753 N 0.00 0.00 0.31 1.44 2.35 -2.03 -3.10 115.58 114.54 3i5h h ASN 753 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3i5h h ASN 753 Cb 0.90 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.27 3i5h h ASN 753 CO 0.00 0.00 -0.14 -0.62 -1.65 0.00 0.00 177.43 175.02 3i5h n GLU 754 N -2.81 0.78 -3.48 0.81 -0.58 0.19 -4.94 120.64 110.61 3i5h n GLU 754 Ca 0.02 -0.33 -0.11 0.00 -0.42 0.00 0.00 57.16 56.32 3i5h n GLU 754 Cb 0.35 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.70 3i5h n GLU 754 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 3i5h s TYR 755 N -2.45 -0.48 0.01 -0.32 1.13 -1.17 -1.69 117.35 112.38 3i5h s TYR 755 Ca 0.28 0.43 0.02 0.00 -1.41 0.00 0.00 57.07 56.39 3i5h s TYR 755 Cb 0.20 0.52 -0.01 0.00 -1.10 0.00 0.00 41.96 41.57 3i5h s TYR 755 CO 0.48 -0.67 -0.06 1.03 -2.51 0.00 0.00 175.55 173.81 3i5h s ARG 756 N -2.96 0.49 -0.46 -3.49 0.52 -0.45 -4.89 118.95 107.72 3i5h s ARG 756 Ca 0.00 -0.36 -0.21 0.00 -0.52 0.00 0.00 55.73 54.65 3i5h s ARG 756 Cb -0.01 -0.42 0.03 0.00 0.52 0.00 0.00 34.95 35.07 3i5h s ARG 756 CO -0.07 0.11 0.66 -0.51 0.02 0.00 0.00 175.30 175.50 3i5h s LEU 757 N -0.53 4.56 0.00 2.53 1.43 -1.26 -0.43 118.68 124.97 3i5h s LEU 757 Ca -0.01 -0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 52.63 3i5h s LEU 757 Cb -0.04 -2.68 0.02 0.00 0.03 0.00 0.00 46.19 43.52 3i5h s LEU 757 CO -0.00 -0.83 0.15 0.61 0.23 0.00 0.00 176.35 176.51 3i5h n GLY 758 N 5.07 -0.76 0.20 -3.19 0.00 0.15 -4.91 105.19 101.74 3i5h n GLY 758 Ca -0.02 -1.74 0.09 0.00 0.00 0.00 0.00 46.02 44.35 3i5h n GLY 758 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3i5h h ASN 759 N -0.18 0.00 0.00 1.61 2.35 -1.84 -3.38 115.58 114.14 3i5h h ASN 759 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3i5h h ASN 759 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3i5h h ASN 759 CO 0.04 0.18 0.00 0.35 -1.65 0.00 0.00 177.43 176.35 3i5h n THR 760 N -3.16 0.00 -4.20 2.81 -2.24 -1.26 -5.06 114.28 101.18 3i5h n THR 760 Ca 0.03 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.67 3i5h n THR 760 Cb 0.58 1.37 -0.08 0.00 -2.10 0.00 0.00 70.33 70.10 3i5h n THR 760 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i5h s LYS 761 N 0.00 1.49 -0.17 -0.78 1.02 -1.25 -2.42 119.74 117.63 3i5h s LYS 761 Ca 0.00 -1.74 0.00 0.00 0.02 0.00 0.00 55.97 54.26 3i5h s LYS 761 Cb 0.00 0.33 0.03 0.00 -0.52 0.00 0.00 37.83 37.67 3i5h s LYS 761 CO 0.00 -0.54 -0.10 0.54 -0.92 0.00 0.00 175.35 174.33 3i5h s VAL 762 N -3.79 1.40 0.02 3.17 0.11 0.65 0.31 120.40 122.27 3i5h s VAL 762 Ca 0.37 -0.71 -0.29 0.00 -2.93 0.00 0.00 61.98 58.42 3i5h s VAL 762 Cb 0.04 -1.45 -0.04 0.00 -1.53 0.00 0.00 36.38 33.40 3i5h s VAL 762 CO 0.18 0.26 0.92 -0.36 -3.33 0.00 0.00 175.10 172.77 3i5h s PHE 763 N 1.52 3.69 0.35 1.54 0.40 0.42 -2.25 117.98 123.66 3i5h s PHE 763 Ca 0.02 1.65 0.09 0.00 -0.60 0.00 0.00 56.93 58.09 3i5h s PHE 763 Cb -0.15 -3.04 -0.06 0.00 0.51 0.00 0.00 43.02 40.29 3i5h s PHE 763 CO -0.09 0.08 -0.02 -0.06 0.70 0.00 0.00 175.22 175.83 3i5h s PHE 764 N 0.65 2.50 0.03 0.36 2.99 0.24 -1.34 117.98 123.41 3i5h s PHE 764 Ca 0.48 -0.48 0.00 0.00 0.00 0.00 0.00 56.93 56.94 3i5h s PHE 764 Cb -0.21 -1.49 0.00 0.00 0.00 0.00 0.00 43.02 41.33 3i5h s PHE 764 CO 0.27 0.50 0.04 1.63 -0.00 0.00 0.00 175.22 177.66 3i5h n LYS 765 N -0.91 1.19 -1.72 0.44 4.76 -0.68 -2.89 118.16 118.35 3i5h n LYS 765 Ca -0.04 -0.19 -0.43 0.00 -2.87 0.00 0.00 58.31 54.78 3i5h n LYS 765 Cb 0.63 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.81 3i5h n LYS 765 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i5h n ALA 766 N -2.95 2.00 -1.21 7.82 0.00 -1.26 -2.99 120.51 121.92 3i5h n ALA 766 Ca -0.01 0.38 -0.08 0.00 0.00 0.00 0.00 53.44 53.73 3i5h n ALA 766 Cb 0.04 -2.39 -0.04 0.00 0.00 0.00 0.00 19.45 17.06 3i5h n ALA 766 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5h n GLY 767 N 1.93 0.79 0.00 0.00 0.00 0.18 -4.89 105.19 103.20 3i5h n GLY 767 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3i5h n GLY 767 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i5h n VAL 768 N -2.07 0.00 -0.46 1.61 0.31 -1.16 -2.91 118.33 113.64 3i5h n VAL 768 Ca -0.08 0.97 0.38 0.00 -0.01 0.00 0.00 64.34 65.60 3i5h n VAL 768 Cb 0.55 -1.85 0.66 0.00 -0.91 0.00 0.00 33.84 32.30 3i5h n VAL 768 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3i5h h LEU 769 N 0.00 0.22 -0.89 7.52 3.38 -1.90 1.56 115.31 125.21 3i5h h LEU 769 Ca 0.00 0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.22 3i5h h LEU 769 Cb 0.00 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 3i5h h LEU 769 CO 0.00 -0.18 0.51 1.23 0.09 0.00 0.00 178.44 180.09 3i5h h GLY 770 N 0.07 1.43 0.42 0.83 0.00 -1.88 0.44 103.07 104.38 3i5h h GLY 770 Ca 0.83 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.81 3i5h h GLY 770 CO -0.40 0.07 -0.20 1.98 0.00 0.00 0.00 176.54 177.99 3i5h h MET 771 N 0.78 -0.55 -0.97 4.80 1.85 0.24 -2.79 114.93 118.29 3i5h h MET 771 Ca 0.45 0.04 0.17 0.00 -0.61 0.00 0.00 59.70 59.75 3i5h h MET 771 Cb 0.52 0.12 -0.17 0.00 0.43 0.00 0.00 31.60 32.51 3i5h h MET 771 CO -0.30 -0.37 -0.33 -0.07 -0.40 0.00 0.00 176.91 175.44 3i5h h LEU 772 N -0.99 -1.23 -0.15 3.39 3.38 -1.03 0.32 115.31 119.00 3i5h h LEU 772 Ca -0.06 0.30 0.05 0.00 0.09 0.00 0.00 57.88 58.26 3i5h h LEU 772 Cb 0.44 0.69 -0.07 0.00 0.09 0.00 0.00 40.66 41.81 3i5h h LEU 772 CO 0.10 -0.30 -0.35 -0.08 0.09 0.00 0.00 178.44 177.90 3i5h h GLU 773 N -0.01 -0.40 0.00 1.13 4.57 -0.20 -0.82 114.58 118.85 3i5h h GLU 773 Ca 0.39 0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.59 3i5h h GLU 773 Cb 0.64 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.32 3i5h h GLU 773 CO -0.98 -0.27 -0.01 0.22 -1.18 0.00 0.00 179.01 176.79 3i5h h ASP 774 N -0.41 0.00 1.28 1.04 1.82 -0.12 -0.75 116.42 119.27 3i5h h ASP 774 Ca 0.10 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.63 3i5h h ASP 774 Cb 0.57 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.56 3i5h h ASP 774 CO -0.38 0.01 -0.76 0.24 -1.61 0.00 0.00 179.24 176.75 3i5h h MET 775 N 0.00 0.00 0.43 0.28 0.00 0.07 -2.06 114.93 113.65 3i5h h MET 775 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 59.70 59.68 3i5h h MET 775 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.67 3i5h h MET 775 CO 0.00 0.36 -0.21 -0.09 0.00 0.00 0.00 176.91 176.97 3i5h h ARG 776 N 0.00 -0.56 -0.96 1.72 2.43 0.08 0.41 114.38 117.50 3i5h h ARG 776 Ca -0.05 0.04 0.24 0.00 -0.81 0.00 0.00 59.98 59.40 3i5h h ARG 776 Cb 1.38 0.13 -0.12 0.00 -0.42 0.00 0.00 29.97 30.93 3i5h h ARG 776 CO 0.05 -0.31 0.52 0.22 -1.51 0.00 0.00 179.97 178.93 3i5h h ASP 777 N -1.10 0.54 0.78 -3.80 1.82 -1.42 0.28 116.42 113.52 3i5h h ASP 777 Ca -0.06 0.14 -0.04 0.00 -0.39 0.00 0.00 57.03 56.69 3i5h h ASP 777 Cb 0.50 0.07 0.01 0.00 0.68 0.00 0.00 39.33 40.59 3i5h h ASP 777 CO 0.10 0.06 -0.37 -0.08 -1.61 0.00 0.00 179.24 177.33 3i5h h GLU 778 N 0.51 -1.01 -0.02 0.28 4.57 -1.21 -2.89 114.58 114.80 3i5h h GLU 778 Ca 0.61 0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.89 3i5h h GLU 778 Cb 1.17 0.23 -0.06 0.00 -0.16 0.00 0.00 28.75 29.93 3i5h h GLU 778 CO -0.50 -0.67 -0.44 0.00 -1.18 0.00 0.00 179.01 176.22 3i5h h ARG 779 N -1.09 -0.55 -0.93 1.92 2.47 0.19 -2.79 114.38 113.59 3i5h h ARG 779 Ca -0.11 0.04 0.09 0.00 -1.26 0.00 0.00 59.98 58.75 3i5h h ARG 779 Cb 0.80 0.13 -0.12 0.00 -1.65 0.00 0.00 29.97 29.13 3i5h h ARG 779 CO 0.18 -0.37 -0.55 1.25 0.56 0.00 0.00 179.97 181.03 3i5h h LEU 780 N -0.58 -2.02 0.01 3.04 5.85 -0.59 0.23 115.31 121.25 3i5h h LEU 780 Ca 0.05 0.32 0.03 0.00 0.84 0.00 0.00 57.88 59.12 3i5h h LEU 780 Cb 0.66 0.91 -0.05 0.00 0.37 0.00 0.00 40.66 42.55 3i5h h LEU 780 CO -0.34 -0.26 -0.30 -1.28 -0.34 0.00 0.00 178.44 175.92 3i5h h SER 781 N -0.04 -0.90 -0.08 1.25 0.87 -1.34 0.20 113.55 113.51 3i5h h SER 781 Ca 0.18 0.12 0.01 0.00 -1.23 0.00 0.00 61.79 60.87 3i5h h SER 781 Cb 0.46 0.36 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 3i5h h SER 781 CO -0.91 -0.37 -0.15 0.50 -0.53 0.00 0.00 176.83 175.37 3i5h h LYS 782 N -0.46 -0.12 0.00 2.24 3.64 -0.75 0.82 116.57 121.94 3i5h h LYS 782 Ca 0.06 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3i5h h LYS 782 Cb 0.54 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3i5h h LYS 782 CO -0.25 -0.08 0.78 0.82 -2.27 0.00 0.00 179.45 178.45 3i5h h ILE 783 N -0.13 0.00 0.14 2.00 2.04 0.06 0.78 117.51 122.42 3i5h h ILE 783 Ca 0.02 0.00 -0.34 0.00 1.00 0.00 0.00 64.86 65.54 3i5h h ILE 783 Cb 0.17 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3i5h h ILE 783 CO -0.15 0.00 -1.74 0.40 0.00 0.00 0.00 178.15 176.66 3i5h h ILE 784 N 0.00 0.92 -0.39 -0.67 2.04 0.38 -2.97 117.51 116.82 3i5h h ILE 784 Ca 0.00 -2.57 0.06 0.00 1.00 0.00 0.00 64.86 63.35 3i5h h ILE 784 Cb 1.56 2.69 -0.02 0.00 -0.74 0.00 0.00 36.82 40.30 3i5h h ILE 784 CO 0.00 0.83 0.26 0.28 0.00 0.00 0.00 178.15 179.53 3i5h h SER 785 N 0.08 0.25 0.35 1.72 0.02 0.24 -2.08 113.55 114.14 3i5h h SER 785 Ca -0.33 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.60 3i5h h SER 785 Cb 2.06 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 64.55 3i5h h SER 785 CO 0.15 0.17 -0.17 0.24 -1.14 0.00 0.00 176.83 176.08 3i5h h MET 786 N 0.29 -0.45 -0.86 3.45 2.86 -1.43 0.13 114.93 118.92 3i5h h MET 786 Ca 0.17 0.03 0.20 0.00 -2.06 0.00 0.00 59.70 58.04 3i5h h MET 786 Cb 0.31 0.10 -0.12 0.00 0.06 0.00 0.00 31.60 31.96 3i5h h MET 786 CO -0.04 -0.13 0.37 0.35 1.06 0.00 0.00 176.91 178.52 3i5h h PHE 787 N -0.93 0.62 -0.61 -0.22 3.57 -1.32 1.60 116.94 119.64 3i5h h PHE 787 Ca -0.05 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.55 3i5h h PHE 787 Cb 0.53 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 3i5h h PHE 787 CO 0.03 -0.00 0.32 1.96 -2.23 0.00 0.00 178.31 178.39 3i5h h GLN 788 N 0.43 0.58 -0.23 1.11 4.20 -1.19 0.44 115.11 120.45 3i5h h GLN 788 Ca 0.52 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 59.23 3i5h h GLN 788 Cb 0.92 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.54 3i5h h GLN 788 CO -0.49 0.39 0.02 0.00 -0.67 0.00 0.00 178.83 178.08 3i5h h ALA 789 N 1.33 0.22 0.00 3.87 0.00 0.50 -0.07 119.26 125.11 3i5h h ALA 789 Ca 0.28 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 3i5h h ALA 789 Cb 0.19 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3i5h h ALA 789 CO -0.19 -0.40 -0.04 0.45 0.00 0.00 0.00 179.25 179.07 3i5h h HIS 790 N 0.10 0.00 -0.05 0.00 3.86 0.09 -0.85 115.15 118.30 3i5h h HIS 790 Ca 0.11 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.20 3i5h h HIS 790 Cb 0.12 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.60 3i5h h HIS 790 CO -0.17 0.04 -0.42 0.82 0.86 0.00 0.00 177.93 179.06 3i5h h ILE 791 N 0.00 1.43 -0.16 2.45 2.04 0.83 -2.41 117.51 121.69 3i5h h ILE 791 Ca -0.00 -1.86 -0.04 0.00 1.00 0.00 0.00 64.86 63.96 3i5h h ILE 791 Cb 0.23 2.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 3i5h h ILE 791 CO 0.00 0.54 -0.09 0.03 0.00 0.00 0.00 178.15 178.63 3i5h h ARG 792 N -0.13 0.24 -0.46 2.37 3.08 -0.60 0.19 114.38 119.07 3i5h h ARG 792 Ca -0.04 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 3i5h h ARG 792 Cb 1.09 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 3i5h h ARG 792 CO 0.08 0.34 0.17 0.78 -1.07 0.00 0.00 179.97 180.27 3i5h h GLY 793 N 0.67 0.70 0.33 0.04 0.00 -0.94 0.55 103.07 104.42 3i5h h GLY 793 Ca 0.05 -0.35 -0.12 0.00 0.00 0.00 0.00 47.33 46.91 3i5h h GLY 793 CO 0.02 0.33 -0.58 -1.82 0.00 0.00 0.00 176.54 174.49 3i5h h TYR 794 N 0.65 0.26 -0.55 5.60 3.20 -0.88 -1.57 116.97 123.69 3i5h h TYR 794 Ca 0.16 -0.19 0.09 0.00 3.14 0.00 0.00 58.73 61.93 3i5h h TYR 794 Cb 0.16 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.34 3i5h h TYR 794 CO 0.01 1.22 0.15 -0.07 -1.64 0.00 0.00 178.16 177.83 3i5h h LEU 795 N -0.68 0.08 0.00 2.82 3.38 -0.23 -0.85 115.31 119.83 3i5h h LEU 795 Ca -0.12 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3i5h h LEU 795 Cb 1.36 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.21 3i5h h LEU 795 CO 0.05 0.06 -0.08 -0.03 0.09 0.00 0.00 178.44 178.53 3i5h h MET 796 N 0.30 0.00 -0.06 1.13 4.05 -0.03 -3.25 114.93 117.07 3i5h h MET 796 Ca 0.28 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.71 3i5h h MET 796 Cb 0.36 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.16 3i5h h MET 796 CO -0.33 0.81 0.57 -0.09 0.23 0.00 0.00 176.91 178.11 3i5h h ARG 797 N -1.00 0.00 0.11 0.39 2.43 -1.18 2.45 114.38 117.58 3i5h h ARG 797 Ca -0.02 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.88 3i5h h ARG 797 Cb 0.84 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 3i5h h ARG 797 CO -0.01 0.00 -1.20 -0.22 -1.51 0.00 0.00 179.97 177.03 3i5h h LYS 798 N 0.00 0.27 -0.19 0.20 3.64 -1.20 -3.19 116.57 116.09 3i5h h LYS 798 Ca 0.03 -0.43 -0.12 0.00 -1.27 0.00 0.00 60.65 58.86 3i5h h LYS 798 Cb 1.18 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 3i5h h LYS 798 CO -0.00 1.20 -0.38 0.00 -2.27 0.00 0.00 179.45 177.99 3i5h h ALA 799 N 0.62 0.98 -0.66 5.00 0.00 0.41 -3.27 119.26 122.35 3i5h h ALA 799 Ca -0.12 -0.41 0.06 0.00 0.00 0.00 0.00 54.91 54.43 3i5h h ALA 799 Cb 1.92 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.53 3i5h h ALA 799 CO 0.20 0.61 -0.39 0.98 0.00 0.00 0.00 179.25 180.65 3i5h n TYR 800 N -4.04 -0.29 -0.11 0.00 9.36 -0.70 0.15 117.16 121.52 3i5h n TYR 800 Ca -0.01 0.83 -0.05 0.00 3.32 0.00 0.00 57.90 61.99 3i5h n TYR 800 Cb 0.48 -0.54 0.01 0.00 -0.63 0.00 0.00 39.34 38.67 3i5h n TYR 800 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 3i5h h LYS 801 N 0.00 -0.03 0.24 2.98 3.64 -1.72 -1.32 116.57 120.36 3i5h h LYS 801 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3i5h h LYS 801 Cb 0.27 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 3i5h h LYS 801 CO -0.62 -0.02 -0.44 -0.22 -2.27 0.00 0.00 179.45 175.88 3i5h h LYS 802 N -0.03 -0.70 -1.33 1.90 3.64 0.12 0.54 116.57 120.70 3i5h h LYS 802 Ca 0.19 0.05 0.41 0.00 -1.27 0.00 0.00 60.65 60.02 3i5h h LYS 802 Cb 0.32 0.16 -0.10 0.00 -0.41 0.00 0.00 32.23 32.20 3i5h h LYS 802 CO -0.42 -0.47 0.89 -0.07 -2.27 0.00 0.00 179.45 177.12 3i5h h LEU 803 N -0.73 0.22 0.47 5.20 3.38 -0.69 0.85 115.31 124.00 3i5h h LEU 803 Ca -0.03 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3i5h h LEU 803 Cb 0.68 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3i5h h LEU 803 CO -0.16 -0.08 -0.22 1.56 0.09 0.00 0.00 178.44 179.63 3i5h h GLN 804 N 0.12 -0.60 -0.88 1.13 4.20 0.22 -2.35 115.11 116.94 3i5h h GLN 804 Ca 0.75 0.04 0.13 0.00 0.06 0.00 0.00 58.65 59.63 3i5h h GLN 804 Cb 2.48 0.14 -0.14 0.00 0.30 0.00 0.00 27.48 30.25 3i5h h GLN 804 CO -0.28 -0.40 -0.43 -0.44 -0.67 0.00 0.00 178.83 176.61 3i5h h ASP 805 N -0.86 -1.55 0.05 1.46 3.32 0.27 1.20 116.42 120.32 3i5h h ASP 805 Ca -0.06 0.29 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3i5h h ASP 805 Cb 0.48 0.76 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3i5h h ASP 805 CO 0.10 -0.29 0.00 0.00 -1.72 0.00 0.00 179.24 177.34 3i5h n GLN 806 N -5.42 0.11 -0.06 3.56 6.02 -0.24 -1.15 117.38 120.20 3i5h n GLN 806 Ca 0.07 0.14 -0.07 0.00 -0.01 0.00 0.00 57.00 57.13 3i5h n GLN 806 Cb 0.36 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 30.06 3i5h n GLN 806 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 3i5h h ARG 807 N 0.00 -0.01 -0.91 -1.09 2.43 0.20 -2.86 114.38 112.14 3i5h h ARG 807 Ca 0.00 0.00 0.20 0.00 -0.81 0.00 0.00 59.98 59.37 3i5h h ARG 807 Cb 0.03 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 29.41 3i5h h ARG 807 CO 0.00 0.50 -0.14 0.82 -1.51 0.00 0.00 179.97 179.63 3i5h h ILE 808 N -1.00 0.10 0.59 1.20 5.03 -0.96 0.95 117.51 123.42 3i5h h ILE 808 Ca -0.00 -0.00 -0.03 0.00 -0.12 0.00 0.00 64.86 64.71 3i5h h ILE 808 Cb 0.51 0.08 0.01 0.00 -3.03 0.00 0.00 36.82 34.39 3i5h h ILE 808 CO 0.00 0.00 -0.28 1.23 -0.68 0.00 0.00 178.15 178.42 3i5h h GLY 809 N 0.01 -0.83 1.10 5.37 0.00 -1.60 0.12 103.07 107.25 3i5h h GLY 809 Ca 0.47 0.31 0.11 0.00 0.00 0.00 0.00 47.33 48.22 3i5h h GLY 809 CO -0.91 -0.30 0.35 -2.00 0.00 0.00 0.00 176.54 173.68 3i5h h LEU 810 N -0.94 0.20 0.10 3.11 5.85 -1.07 -0.73 115.31 121.83 3i5h h LEU 810 Ca -0.08 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 3i5h h LEU 810 Cb 0.66 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.65 3i5h h LEU 810 CO 0.13 0.12 -0.05 0.74 -0.34 0.00 0.00 178.44 179.04 3i5h h THR 811 N 0.22 0.00 -0.79 1.05 2.02 -0.56 -0.13 112.91 114.72 3i5h h THR 811 Ca 0.24 -0.06 0.11 0.00 0.77 0.00 0.00 66.41 67.47 3i5h h THR 811 Cb 0.66 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.95 3i5h h THR 811 CO -0.04 0.00 -0.34 0.18 0.37 0.00 0.00 175.52 175.69 3i5h n LEU 812 N -2.53 -0.57 0.00 2.58 4.77 0.41 -0.06 117.00 121.58 3i5h n LEU 812 Ca -0.02 1.38 0.00 0.00 -0.03 0.00 0.00 56.01 57.34 3i5h n LEU 812 Cb 0.05 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 3i5h n LEU 812 CO 0.04 -1.22 0.12 -0.38 -1.33 0.00 0.00 177.39 174.62 3i5h n ILE 813 N -5.13 0.00 -0.01 -0.08 5.41 -0.33 0.46 119.36 119.68 3i5h n ILE 813 Ca 0.07 0.74 0.01 0.00 1.00 0.00 0.00 62.75 64.56 3i5h n ILE 813 Cb 0.29 -1.73 0.01 0.00 -0.71 0.00 0.00 39.64 37.50 3i5h n ILE 813 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i5h n GLN 814 N -0.24 -0.00 -0.08 0.38 6.02 -0.06 0.27 117.38 123.67 3i5h n GLN 814 Ca 0.00 0.02 -0.12 0.00 -0.01 0.00 0.00 57.00 56.89 3i5h n GLN 814 Cb 0.00 -0.04 -0.15 0.00 1.02 0.00 0.00 30.24 31.08 3i5h n GLN 814 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 3i5h n ARG 815 N -2.71 0.67 0.21 -1.09 1.85 0.91 -3.68 116.66 112.83 3i5h n ARG 815 Ca 0.01 0.12 0.08 0.00 -1.00 0.00 0.00 57.85 57.06 3i5h n ARG 815 Cb 0.02 -1.61 0.43 0.00 -1.05 0.00 0.00 32.46 30.25 3i5h n ARG 815 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 3i5h h ASN 816 N 0.01 0.00 -0.07 2.89 2.35 0.89 -2.41 115.58 119.24 3i5h h ASN 816 Ca -0.47 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.03 3i5h h ASN 816 Cb 2.11 0.00 0.02 0.00 0.05 0.00 0.00 38.32 40.50 3i5h h ASN 816 CO 0.03 0.27 -0.91 0.58 -1.65 0.00 0.00 177.43 175.75 3i5h h VAL 817 N 0.00 1.28 0.36 2.81 2.07 -1.26 -3.07 116.25 118.45 3i5h h VAL 817 Ca -0.00 -2.12 -0.02 0.00 0.82 0.00 0.00 66.70 65.38 3i5h h VAL 817 Cb 0.77 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 3i5h h VAL 817 CO 0.04 0.66 -0.18 0.03 0.02 0.00 0.00 177.57 178.14 3i5h h ARG 818 N 0.44 -0.47 -0.26 1.57 3.08 -1.59 0.40 114.38 117.56 3i5h h ARG 818 Ca -0.09 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.06 3i5h h ARG 818 Cb 1.56 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.70 3i5h h ARG 818 CO 0.18 -0.17 0.35 -0.22 -1.07 0.00 0.00 179.97 179.04 3i5h h LYS 819 N -0.78 0.00 -0.04 0.04 1.63 -1.56 0.53 116.57 116.38 3i5h h LYS 819 Ca -0.05 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.56 3i5h h LYS 819 Cb 0.52 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.16 3i5h h LYS 819 CO 0.08 0.00 -0.73 2.35 -3.45 0.00 0.00 179.45 177.70 3i5h h TRP 820 N 0.00 0.82 0.00 1.91 7.01 -1.24 -2.66 115.95 121.79 3i5h h TRP 820 Ca 0.12 -0.42 -0.03 0.00 2.11 0.00 0.00 58.89 60.68 3i5h h TRP 820 Cb 0.82 -0.10 -0.00 0.00 -2.10 0.00 0.00 29.16 27.77 3i5h h TRP 820 CO 0.00 1.23 -0.15 -0.07 -2.79 0.00 0.00 178.44 176.67 3i5h h LEU 821 N 0.17 0.00 -0.10 0.65 3.38 0.22 -0.07 115.31 119.55 3i5h h LEU 821 Ca -0.08 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3i5h h LEU 821 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 3i5h h LEU 821 CO 0.15 0.15 -0.19 0.58 0.09 0.00 0.00 178.44 179.21 3i5h h VAL 822 N 0.00 1.39 0.00 1.22 2.07 -1.25 -3.33 116.25 116.34 3i5h h VAL 822 Ca -0.00 -1.47 -0.05 0.00 0.82 0.00 0.00 66.70 65.99 3i5h h VAL 822 Cb 0.28 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 3i5h h VAL 822 CO 0.02 0.42 -0.26 -0.07 0.02 0.00 0.00 177.57 177.71 3i5h h LEU 823 N -0.13 0.00 -0.99 2.57 3.38 -1.01 -3.21 115.31 115.92 3i5h h LEU 823 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i5h h LEU 823 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3i5h h LEU 823 CO 0.04 0.26 0.01 -2.11 0.09 0.00 0.00 178.44 176.72 3i5h n ARG 824 N -3.44 0.10 0.00 1.13 1.85 -0.11 -1.92 116.66 114.27 3i5h n ARG 824 Ca -0.00 0.59 0.00 0.00 -1.00 0.00 0.00 57.85 57.44 3i5h n ARG 824 Cb 0.44 -1.82 0.00 0.00 -1.05 0.00 0.00 32.46 30.03 3i5h n ARG 824 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3i5h n ASN 825 N -2.02 1.12 -4.51 2.89 3.02 -1.21 -4.95 115.26 109.59 3i5h n ASN 825 Ca -0.01 -1.21 -0.42 0.00 -0.03 0.00 0.00 54.58 52.91 3i5h n ASN 825 Cb 0.03 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.17 3i5h n ASN 825 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3i5h s TRP 826 N -0.21 2.80 0.00 3.10 -0.11 -0.81 -4.92 118.94 118.80 3i5h s TRP 826 Ca 0.00 -1.12 0.00 0.00 1.22 0.00 0.00 56.10 56.20 3i5h s TRP 826 Cb 0.00 -4.52 0.00 0.00 -1.50 0.00 0.00 33.47 27.45 3i5h s TRP 826 CO 0.00 -1.74 0.00 0.39 -4.62 0.00 0.00 176.95 170.98 3i5h n GLU 827 N 7.84 0.00 0.05 5.86 4.71 -1.26 0.15 120.64 137.99 3i5h n GLU 827 Ca 0.30 0.00 -0.15 0.00 -0.01 0.00 0.00 57.16 57.30 3i5h n GLU 827 Cb 0.50 0.00 -0.09 0.00 -1.01 0.00 0.00 31.44 30.84 3i5h n GLU 827 CO 0.00 0.00 0.00 -1.49 0.09 0.00 0.00 177.13 175.73 3i5h h TRP 828 N 0.00 -1.48 -0.76 -0.32 4.06 -1.94 -1.63 115.95 113.88 3i5h h TRP 828 Ca 0.00 0.05 0.14 0.00 2.06 0.00 0.00 58.89 61.14 3i5h h TRP 828 Cb 0.00 0.65 -0.14 0.00 -1.00 0.00 0.00 29.16 28.67 3i5h h TRP 828 CO 0.00 -0.56 -0.21 1.87 -3.56 0.00 0.00 178.44 175.98 3i5h n TRP 829 N -5.46 0.23 -0.16 0.49 -0.00 0.40 0.19 117.44 113.12 3i5h n TRP 829 Ca -0.07 0.92 -0.02 0.00 -0.00 0.00 0.00 57.50 58.33 3i5h n TRP 829 Cb 0.39 -0.91 0.07 0.00 -0.00 0.00 0.00 31.31 30.86 3i5h n TRP 829 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3i5h h ARG 830 N 0.00 0.30 0.00 5.87 3.08 -1.26 -3.22 114.38 119.16 3i5h h ARG 830 Ca 0.34 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.38 3i5h h ARG 830 Cb 0.53 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 3i5h h ARG 830 CO -0.77 0.20 -0.07 -0.07 -1.07 0.00 0.00 179.97 178.19 3i5h h LEU 831 N 0.31 -0.21 -0.21 3.04 3.38 0.24 -1.35 115.31 120.50 3i5h h LEU 831 Ca 0.25 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3i5h h LEU 831 Cb 0.30 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3i5h h LEU 831 CO -0.28 -0.07 0.00 2.22 0.09 0.00 0.00 178.44 180.40 3i5h n PHE 832 N -2.88 0.00 0.94 1.13 1.16 -1.19 0.10 117.46 116.73 3i5h n PHE 832 Ca -0.01 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.69 3i5h n PHE 832 Cb 0.05 -0.01 0.10 0.00 -1.61 0.00 0.00 39.48 38.01 3i5h n PHE 832 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 3i5h n ASN 833 N -0.34 2.94 0.02 5.98 5.03 -0.52 -3.96 115.26 124.41 3i5h n ASN 833 Ca 0.00 -1.96 0.00 0.00 0.87 0.00 0.00 54.58 53.49 3i5h n ASN 833 Cb 0.03 -0.01 0.00 0.00 -1.02 0.00 0.00 39.78 38.78 3i5h n ASN 833 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3i5h n LYS 834 N 1.30 0.00 0.33 3.52 4.76 0.29 -4.76 118.16 123.60 3i5h n LYS 834 Ca 0.14 0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.72 3i5h n LYS 834 Cb 0.58 -0.35 0.78 0.00 -1.84 0.00 0.00 35.03 34.19 3i5h n LYS 834 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3i5h h VAL 835 N 0.00 0.00 0.03 -0.18 2.07 -0.48 -3.12 116.25 114.56 3i5h h VAL 835 Ca 0.00 0.00 -0.38 0.00 0.82 0.00 0.00 66.70 67.14 3i5h h VAL 835 Cb 0.54 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 3i5h h VAL 835 CO 0.00 0.00 -2.20 0.29 0.02 0.00 0.00 177.57 175.68 3i5h n LYS 836 N -2.85 0.65 0.00 1.57 5.02 -1.25 -3.89 118.16 117.40 3i5h n LYS 836 Ca -0.02 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 3i5h n LYS 836 Cb 0.40 -1.59 0.01 0.00 -0.02 0.00 0.00 35.03 33.83 3i5h n LYS 836 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3i5h n PRO 837 N -3.77 0.01 -2.38 1.97 -0.04 -1.18 -0.74 135.00 128.87 3i5h n PRO 837 Ca -0.43 0.02 -0.27 0.00 -0.04 0.00 0.00 63.50 62.78 3i5h n PRO 837 Cb 0.93 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 3i5h n PRO 837 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3i5h n LEU 838 N -1.02 4.80 -0.91 1.53 4.77 -1.23 -5.15 117.00 119.80 3i5h n LEU 838 Ca 0.00 -5.12 0.11 0.00 -0.03 0.00 0.00 56.01 50.97 3i5h n LEU 838 Cb 0.00 -0.45 0.09 0.00 -2.33 0.00 0.00 43.42 40.74 3i5h n LEU 838 CO 0.00 2.21 0.61 0.18 -1.33 0.00 0.00 177.39 179.06