#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a8k s GLN 2 N 0.00 2.85 0.18 0.00 -0.21 0.23 -4.65 119.66 118.06 3a8k s GLN 2 Ca 0.00 1.12 0.11 0.00 0.02 0.00 0.00 55.36 56.61 3a8k s GLN 2 Cb 0.00 -1.97 -0.04 0.00 1.00 0.00 0.00 33.01 31.99 3a8k s GLN 2 CO 0.00 -1.18 -0.24 1.14 -2.12 0.00 0.00 175.29 172.89 3a8k s GLN 3 N -4.67 1.53 0.92 2.91 -2.07 -1.26 0.58 119.66 117.60 3a8k s GLN 3 Ca 0.61 -1.48 -0.13 0.00 -1.82 0.00 0.00 55.36 52.54 3a8k s GLN 3 Cb -0.16 -1.87 0.15 0.00 -1.09 0.00 0.00 33.01 30.03 3a8k s GLN 3 CO 0.49 0.41 1.18 0.95 -1.32 0.00 0.00 175.29 177.00 3a8k s THR 4 N -1.55 1.97 -1.05 3.63 -4.23 -1.26 -4.94 115.64 108.20 3a8k s THR 4 Ca 0.20 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 60.82 3a8k s THR 4 Cb -0.08 -2.83 0.11 0.00 1.34 0.00 0.00 72.50 71.03 3a8k s THR 4 CO 0.09 0.00 1.37 -2.65 -0.54 0.00 0.00 174.62 172.89 3a8k n PRO 5 N -3.73 0.02 -0.05 3.99 -0.02 -1.26 -2.90 135.00 131.05 3a8k n PRO 5 Ca 0.09 0.28 0.12 0.00 -2.02 0.00 0.00 63.50 61.97 3a8k n PRO 5 Cb 0.60 -1.50 0.44 0.00 -0.02 0.00 0.00 33.50 33.02 3a8k n PRO 5 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3a8k n LEU 6 N -1.48 1.58 -0.13 2.45 4.77 -1.26 -4.57 117.00 118.37 3a8k n LEU 6 Ca 0.03 -0.61 -0.05 0.00 -0.03 0.00 0.00 56.01 55.35 3a8k n LEU 6 Cb 0.13 -0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 3a8k n LEU 6 CO 0.11 0.31 0.74 0.22 -1.33 0.00 0.00 177.39 177.43 3a8k h TYR 7 N 2.24 -0.40 -0.56 -1.77 5.03 -1.91 0.10 116.97 119.70 3a8k h TYR 7 Ca 0.00 0.04 -0.09 0.00 2.58 0.00 0.00 58.73 61.27 3a8k h TYR 7 Cb 0.48 0.24 -0.02 0.00 1.55 0.00 0.00 36.73 38.99 3a8k h TYR 7 CO 0.06 -0.25 0.01 1.49 -1.32 0.00 0.00 178.16 178.16 3a8k h GLU 8 N -0.08 0.99 -0.73 1.82 4.81 -1.87 -1.85 114.58 117.67 3a8k h GLU 8 Ca 0.21 -0.31 0.09 0.00 -0.13 0.00 0.00 59.36 59.22 3a8k h GLU 8 Cb 0.40 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.62 3a8k h GLU 8 CO -0.49 0.98 0.38 1.96 -0.73 0.00 0.00 179.01 181.12 3a8k h GLN 9 N 0.87 0.63 -0.34 1.92 1.08 -1.68 -1.61 115.11 115.98 3a8k h GLN 9 Ca 0.16 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.33 3a8k h GLN 9 Cb 0.53 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.80 3a8k h GLN 9 CO 0.03 0.42 0.22 0.45 -0.95 0.00 0.00 178.83 179.00 3a8k h HIS 10 N 0.65 0.42 -0.77 2.96 3.86 -0.06 -0.71 115.15 121.50 3a8k h HIS 10 Ca 0.36 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.53 3a8k h HIS 10 Cb 0.35 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.65 3a8k h HIS 10 CO -0.09 0.26 0.28 1.79 0.86 0.00 0.00 177.93 181.03 3a8k h THR 11 N 0.46 1.26 0.00 2.45 1.35 -1.23 -0.79 112.91 116.41 3a8k h THR 11 Ca 0.13 -0.85 -0.01 0.00 -0.55 0.00 0.00 66.41 65.13 3a8k h THR 11 Cb -0.04 0.36 -0.00 0.00 -1.73 0.00 0.00 68.15 66.74 3a8k h THR 11 CO -0.03 0.34 -0.03 -0.07 -0.25 0.00 0.00 175.52 175.48 3a8k h LEU 12 N 1.13 0.00 -1.05 3.87 3.38 -0.93 -2.14 115.31 119.58 3a8k h LEU 12 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3a8k h LEU 12 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3a8k h LEU 12 CO -0.02 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.54 3a8k n GLY 14 N 1.14 1.13 3.77 0.00 0.00 -0.78 -4.86 105.19 105.59 3a8k n GLY 14 Ca 0.17 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 3a8k n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a8k s ALA 15 N -2.00 2.66 -0.35 4.61 0.00 -0.39 -4.17 121.76 122.12 3a8k s ALA 15 Ca 0.00 0.76 -0.07 0.00 0.00 0.00 0.00 51.96 52.65 3a8k s ALA 15 Cb 0.00 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.81 3a8k s ALA 15 CO 0.00 -0.85 0.13 1.03 0.00 0.00 0.00 175.76 176.07 3a8k s ARG 16 N -3.44 2.65 0.02 0.00 3.00 -0.45 -4.82 118.95 115.91 3a8k s ARG 16 Ca 0.71 -1.17 -0.23 0.00 0.00 0.00 0.00 55.73 55.04 3a8k s ARG 16 Cb -0.23 -3.51 -0.05 0.00 0.00 0.00 0.00 34.95 31.15 3a8k s ARG 16 CO 0.29 -0.68 0.70 -1.64 0.00 0.00 0.00 175.30 173.98 3a8k s MET 17 N 1.43 4.43 0.11 3.54 -1.94 -1.26 0.17 119.30 125.78 3a8k s MET 17 Ca -0.01 0.93 0.07 0.00 -1.71 0.00 0.00 55.69 54.98 3a8k s MET 17 Cb -0.19 -3.36 -0.04 0.00 2.01 0.00 0.00 34.83 33.25 3a8k s MET 17 CO 0.04 0.29 -0.17 0.14 -0.01 0.00 0.00 175.02 175.31 3a8k s VAL 18 N -0.03 1.51 -0.35 -6.03 -7.23 0.16 -4.89 120.40 103.54 3a8k s VAL 18 Ca 0.36 -1.61 -0.29 0.00 -1.81 0.00 0.00 61.98 58.63 3a8k s VAL 18 Cb -0.19 -1.50 -0.01 0.00 0.56 0.00 0.00 36.38 35.23 3a8k s VAL 18 CO 0.21 -0.24 1.68 -0.62 -0.31 0.00 0.00 175.10 175.81 3a8k s ASP 19 N -2.16 6.04 -0.49 4.85 -1.08 -1.26 -0.88 116.67 121.69 3a8k s ASP 19 Ca 0.07 1.17 -0.04 0.00 -0.52 0.00 0.00 52.55 53.24 3a8k s ASP 19 Cb -0.08 -2.53 0.13 0.00 -1.46 0.00 0.00 42.92 38.98 3a8k s ASP 19 CO 0.04 -1.61 0.30 0.12 0.52 0.00 0.00 175.17 174.54 3a8k s PHE 20 N 6.39 3.52 -1.31 -5.34 5.36 0.14 -4.72 117.98 122.01 3a8k s PHE 20 Ca 0.74 -2.45 -0.02 0.00 -0.96 0.00 0.00 56.93 54.25 3a8k s PHE 20 Cb -0.20 -3.26 -0.00 0.00 -0.34 0.00 0.00 43.02 39.22 3a8k s PHE 20 CO 0.33 -0.93 0.64 0.72 -1.46 0.00 0.00 175.22 174.51 3a8k n HIS 21 N 4.27 -1.85 -1.44 10.12 8.25 -1.26 -1.92 115.22 131.39 3a8k n HIS 21 Ca 0.01 0.79 -0.07 0.00 -0.26 0.00 0.00 57.72 58.18 3a8k n HIS 21 Cb 0.40 -4.15 -0.02 0.00 1.12 0.00 0.00 29.99 27.34 3a8k n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a8k n GLY 22 N -1.68 0.69 2.89 -1.41 0.00 -1.26 -4.91 105.19 99.49 3a8k n GLY 22 Ca -0.28 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 44.77 3a8k n GLY 22 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3a8k s TRP 23 N -2.27 1.24 -0.46 1.61 0.52 -0.81 0.76 118.94 119.53 3a8k s TRP 23 Ca 0.00 -0.55 -0.28 0.00 0.02 0.00 0.00 56.10 55.29 3a8k s TRP 23 Cb 0.00 -1.08 -0.01 0.00 -1.15 0.00 0.00 33.47 31.23 3a8k s TRP 23 CO 0.00 -0.42 1.73 -1.64 0.02 0.00 0.00 176.95 176.64 3a8k s MET 24 N 1.61 3.11 0.10 4.98 -1.94 0.20 0.23 119.30 127.59 3a8k s MET 24 Ca 0.02 0.97 0.08 0.00 -1.71 0.00 0.00 55.69 55.05 3a8k s MET 24 Cb -0.13 -4.23 -0.03 0.00 2.01 0.00 0.00 34.83 32.44 3a8k s MET 24 CO -0.06 -2.14 -0.21 -1.64 -0.01 0.00 0.00 175.02 170.96 3a8k s MET 25 N 6.04 1.12 0.03 2.03 -1.94 -0.06 -4.54 119.30 121.99 3a8k s MET 25 Ca 0.70 -1.16 -0.30 0.00 -1.71 0.00 0.00 55.69 53.22 3a8k s MET 25 Cb -0.17 -1.38 -0.08 0.00 2.01 0.00 0.00 34.83 35.21 3a8k s MET 25 CO 0.28 0.32 1.72 -1.25 -0.01 0.00 0.00 175.02 176.08 3a8k s PRO 26 N -1.91 4.18 0.07 2.03 0.04 -1.26 -0.66 135.00 137.48 3a8k s PRO 26 Ca 0.06 2.36 -0.14 0.00 0.04 0.00 0.00 61.00 63.32 3a8k s PRO 26 Cb -0.10 -3.81 -0.22 0.00 0.04 0.00 0.00 34.50 30.41 3a8k s PRO 26 CO 0.04 -0.81 1.20 1.25 0.04 0.00 0.00 177.00 178.72 3a8k h LEU 27 N 9.40 0.89 0.00 -3.56 5.85 -0.62 0.02 115.31 127.29 3a8k h LEU 27 Ca -0.43 -0.73 0.05 0.00 0.84 0.00 0.00 57.88 57.62 3a8k h LEU 27 Cb 1.20 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 3a8k h LEU 27 CO 0.94 1.50 0.40 0.00 -0.34 0.00 0.00 178.44 180.94 3a8k n HIS 28 N -3.89 -1.86 -2.08 1.25 1.44 -1.25 -0.64 115.22 108.19 3a8k n HIS 28 Ca -0.11 -1.52 -0.09 0.00 -2.01 0.00 0.00 57.72 54.00 3a8k n HIS 28 Cb 0.85 0.75 0.08 0.00 0.12 0.00 0.00 29.99 31.79 3a8k n HIS 28 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3a8k n TYR 29 N -0.59 1.43 0.00 -1.40 4.02 -1.26 -1.35 117.16 118.01 3a8k n TYR 29 Ca -0.06 -1.82 0.00 0.00 -0.01 0.00 0.00 57.90 56.01 3a8k n TYR 29 Cb 0.56 -0.28 0.00 0.00 -0.02 0.00 0.00 39.34 39.61 3a8k n TYR 29 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3a8k n GLY 30 N -0.68 1.29 2.96 2.72 0.00 -1.26 -4.76 105.19 105.46 3a8k n GLY 30 Ca 0.27 -0.25 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 3a8k n GLY 30 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3a8k s SER 31 N -0.55 -0.08 0.36 1.61 0.15 -1.26 -5.01 113.70 108.92 3a8k s SER 31 Ca 0.00 -0.00 0.03 0.00 0.70 0.00 0.00 55.95 56.68 3a8k s SER 31 Cb 0.00 1.33 0.66 0.00 -1.71 0.00 0.00 66.02 66.30 3a8k s SER 31 CO 0.00 -0.32 1.99 -0.61 1.20 0.00 0.00 173.24 175.50 3a8k h GLN 32 N 8.13 0.73 0.21 5.44 4.15 -1.95 -2.41 115.11 129.41 3a8k h GLN 32 Ca -0.12 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.22 3a8k h GLN 32 Cb 1.14 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.68 3a8k h GLN 32 CO 0.25 0.52 -0.10 0.82 -1.93 0.00 0.00 178.83 178.40 3a8k h ILE 33 N 0.74 0.82 -0.19 2.39 1.08 -1.99 -1.37 117.51 118.99 3a8k h ILE 33 Ca 0.19 -0.18 -0.01 0.00 -0.39 0.00 0.00 64.86 64.48 3a8k h ILE 33 Cb -0.01 0.93 -0.01 0.00 -3.07 0.00 0.00 36.82 34.67 3a8k h ILE 33 CO -0.03 0.04 0.09 0.44 -0.69 0.00 0.00 178.15 178.00 3a8k h ASP 34 N -0.38 0.23 -0.07 1.72 3.32 -1.96 0.63 116.42 119.92 3a8k h ASP 34 Ca -0.03 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 3a8k h ASP 34 Cb 0.29 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 3a8k h ASP 34 CO 0.05 0.20 -0.06 -0.33 -1.72 0.00 0.00 179.24 177.38 3a8k h GLU 35 N 0.27 0.17 -0.17 3.56 5.08 -1.16 0.11 114.58 122.43 3a8k h GLU 35 Ca 0.07 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3a8k h GLU 35 Cb 0.03 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 3a8k h GLU 35 CO -0.01 0.59 -0.18 1.25 -1.00 0.00 0.00 179.01 179.67 3a8k h HIS 36 N -0.26 -0.45 -1.01 4.33 2.76 -0.94 -2.06 115.15 117.53 3a8k h HIS 36 Ca 0.01 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.29 3a8k h HIS 36 Cb 0.56 0.23 -0.07 0.00 1.55 0.00 0.00 27.41 29.67 3a8k h HIS 36 CO 0.09 -0.25 0.64 1.25 -1.30 0.00 0.00 177.93 178.36 3a8k h HIS 37 N -0.20 1.19 -0.81 5.26 -0.00 -0.69 -1.99 115.15 117.91 3a8k h HIS 37 Ca 0.11 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.48 3a8k h HIS 37 Cb 0.37 -0.39 -0.04 0.00 -0.00 0.00 0.00 27.41 27.35 3a8k h HIS 37 CO -0.31 0.57 0.38 0.00 -0.00 0.00 0.00 177.93 178.57 3a8k h ALA 38 N 1.48 1.14 -0.21 5.26 0.00 -0.09 0.21 119.26 127.06 3a8k h ALA 38 Ca 0.45 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 55.00 3a8k h ALA 38 Cb 0.27 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.74 3a8k h ALA 38 CO -0.20 0.65 -0.65 0.28 0.00 0.00 0.00 179.25 179.33 3a8k h VAL 39 N 1.16 1.28 0.00 0.00 2.07 -0.95 0.16 116.25 119.97 3a8k h VAL 39 Ca 0.28 -1.84 -0.10 0.00 0.82 0.00 0.00 66.70 65.85 3a8k h VAL 39 Cb 0.13 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 3a8k h VAL 39 CO -0.03 0.59 -0.49 0.03 0.02 0.00 0.00 177.57 177.69 3a8k h ARG 40 N 0.55 0.00 0.00 1.57 2.47 -0.99 -3.35 114.38 114.63 3a8k h ARG 40 Ca -0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 3a8k h ARG 40 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.59 3a8k h ARG 40 CO 0.14 0.49 -0.20 0.25 0.56 0.00 0.00 179.97 181.21 3a8k n THR 41 N -3.84 0.00 0.00 2.04 -2.24 0.71 -4.71 114.28 106.24 3a8k n THR 41 Ca -0.01 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3a8k n THR 41 Cb 0.53 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 3a8k n THR 41 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3a8k n ASP 42 N -1.10 0.00 -3.64 3.42 2.03 0.30 -4.79 116.55 112.78 3a8k n ASP 42 Ca 0.01 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.24 3a8k n ASP 42 Cb 0.06 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.39 3a8k n ASP 42 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3a8k s ALA 43 N -1.20 -1.88 0.10 -1.67 0.00 0.22 -0.40 121.76 116.92 3a8k s ALA 43 Ca 0.00 2.35 0.00 0.00 0.00 0.00 0.00 51.96 54.32 3a8k s ALA 43 Cb 0.00 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 3a8k s ALA 43 CO 0.00 -0.37 -0.02 0.20 0.00 0.00 0.00 175.76 175.57 3a8k s GLY 44 N 1.42 0.79 0.04 0.00 0.00 -0.37 -1.48 107.32 107.72 3a8k s GLY 44 Ca -0.08 -1.37 -0.01 0.00 0.00 0.00 0.00 44.72 43.26 3a8k s GLY 44 CO -0.16 -1.41 -0.03 -3.16 0.00 0.00 0.00 173.10 168.33 3a8k s MET 45 N -3.91 0.47 -0.06 2.90 0.23 0.16 -1.24 119.30 117.85 3a8k s MET 45 Ca 0.14 -0.93 0.03 0.00 -1.03 0.00 0.00 55.69 53.91 3a8k s MET 45 Cb 0.07 0.16 0.01 0.00 -1.53 0.00 0.00 34.83 33.53 3a8k s MET 45 CO -0.04 -0.08 -0.14 -0.06 -2.03 0.00 0.00 175.02 172.67 3a8k s PHE 46 N -2.74 1.56 -0.29 3.16 0.40 0.03 -0.63 117.98 119.47 3a8k s PHE 46 Ca -0.04 -0.52 -0.28 0.00 -0.60 0.00 0.00 56.93 55.49 3a8k s PHE 46 Cb -0.01 -1.09 -0.03 0.00 0.51 0.00 0.00 43.02 42.40 3a8k s PHE 46 CO -0.06 -0.23 1.99 0.34 0.70 0.00 0.00 175.22 177.97 3a8k s ASP 47 N 0.37 5.67 -0.24 1.36 -1.08 -1.26 -0.57 116.67 120.92 3a8k s ASP 47 Ca -0.10 1.54 0.11 0.00 -0.52 0.00 0.00 52.55 53.58 3a8k s ASP 47 Cb -0.14 -2.52 0.46 0.00 -1.46 0.00 0.00 42.92 39.26 3a8k s ASP 47 CO 0.03 -1.85 1.35 1.33 0.52 0.00 0.00 175.17 176.55 3a8k n VAL 48 N 7.58 2.36 0.50 1.11 0.24 -0.03 -4.74 118.33 125.34 3a8k n VAL 48 Ca 0.26 -2.84 0.06 0.00 -2.04 0.00 0.00 64.34 59.78 3a8k n VAL 48 Cb 0.46 -0.28 0.28 0.00 -1.47 0.00 0.00 33.84 32.83 3a8k n VAL 48 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3a8k n SER 49 N -1.11 0.00 -0.07 -1.34 7.64 -0.98 -1.67 113.62 116.09 3a8k n SER 49 Ca 0.26 0.28 0.14 0.00 1.01 0.00 0.00 58.87 60.56 3a8k n SER 49 Cb 0.87 -0.38 0.64 0.00 -1.01 0.00 0.00 64.21 64.32 3a8k n SER 49 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3a8k n HIS 50 N -1.38 0.00 -1.95 1.43 1.44 -1.26 -4.81 115.22 108.69 3a8k n HIS 50 Ca 0.04 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.46 3a8k n HIS 50 Cb 0.11 -0.23 0.04 0.00 0.12 0.00 0.00 29.99 30.03 3a8k n HIS 50 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 3a8k s MET 51 N -2.56 2.88 -0.12 -1.40 -1.94 -0.67 -3.88 119.30 111.61 3a8k s MET 51 Ca 0.27 0.40 0.03 0.00 -1.71 0.00 0.00 55.69 54.68 3a8k s MET 51 Cb 0.20 -2.06 -0.00 0.00 2.01 0.00 0.00 34.83 34.98 3a8k s MET 51 CO 0.49 -0.98 -0.21 0.99 -0.01 0.00 0.00 175.02 175.30 3a8k s THR 52 N -3.31 2.32 -0.18 2.05 2.01 -0.38 -4.94 115.64 113.22 3a8k s THR 52 Ca 0.58 -0.91 -0.08 0.00 0.31 0.00 0.00 61.69 61.58 3a8k s THR 52 Cb -0.11 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 3a8k s THR 52 CO 0.51 0.55 0.09 -0.63 -0.69 0.00 0.00 174.62 174.44 3a8k s ILE 53 N 0.47 5.04 -0.18 1.82 1.01 -1.26 -0.70 121.20 127.41 3a8k s ILE 53 Ca -0.14 0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.57 3a8k s ILE 53 Cb -0.17 -3.28 0.03 0.00 0.01 0.00 0.00 42.46 39.06 3a8k s ILE 53 CO 0.06 0.46 -0.12 -0.69 0.00 0.00 0.00 174.94 174.64 3a8k s VAL 54 N 0.28 1.63 -0.05 2.92 1.01 -0.07 -0.01 120.40 126.11 3a8k s VAL 54 Ca 0.06 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 61.03 3a8k s VAL 54 Cb -0.12 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 3a8k s VAL 54 CO -0.01 0.31 0.43 -1.81 0.00 0.00 0.00 175.10 174.02 3a8k s ASP 55 N 1.43 6.74 -0.11 3.32 1.01 0.09 -0.40 116.67 128.75 3a8k s ASP 55 Ca 0.02 0.88 0.01 0.00 0.71 0.00 0.00 52.55 54.17 3a8k s ASP 55 Cb -0.15 -2.26 0.02 0.00 1.01 0.00 0.00 42.92 41.54 3a8k s ASP 55 CO -0.09 0.19 -0.15 -0.76 0.21 0.00 0.00 175.17 174.57 3a8k s LEU 56 N -0.35 1.71 -0.01 1.23 1.43 0.01 -0.64 118.68 122.04 3a8k s LEU 56 Ca 0.24 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 52.95 3a8k s LEU 56 Cb -0.16 -1.10 -0.01 0.00 0.03 0.00 0.00 46.19 44.95 3a8k s LEU 56 CO 0.12 0.00 -0.15 -0.13 0.23 0.00 0.00 176.35 176.42 3a8k s ARG 57 N 1.07 1.27 0.00 1.70 0.52 -0.18 -1.71 118.95 121.63 3a8k s ARG 57 Ca -0.05 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 54.62 3a8k s ARG 57 Cb -0.15 -1.22 0.00 0.00 0.52 0.00 0.00 34.95 34.11 3a8k s ARG 57 CO -0.03 0.32 0.00 0.41 0.02 0.00 0.00 175.30 176.02 3a8k n GLY 58 N 2.76 3.65 0.13 -3.53 0.00 -0.28 -0.75 105.19 107.16 3a8k n GLY 58 Ca -0.15 -1.56 0.12 0.00 0.00 0.00 0.00 46.02 44.43 3a8k n GLY 58 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a8k n SER 59 N 0.00 0.71 -0.78 1.61 3.41 -1.26 -2.17 113.62 115.14 3a8k n SER 59 Ca 0.00 0.65 0.07 0.00 -0.26 0.00 0.00 58.87 59.32 3a8k n SER 59 Cb 0.00 -0.81 0.19 0.00 -0.26 0.00 0.00 64.21 63.33 3a8k n SER 59 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3a8k n ARG 60 N -2.26 2.92 -0.06 4.33 1.74 -1.26 -4.64 116.66 117.43 3a8k n ARG 60 Ca 0.03 -2.26 -0.08 0.00 -0.77 0.00 0.00 57.85 54.77 3a8k n ARG 60 Cb 0.28 -1.41 -0.02 0.00 -1.02 0.00 0.00 32.46 30.29 3a8k n ARG 60 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3a8k h THR 61 N 2.29 0.81 -0.15 0.55 2.02 -1.72 -0.02 112.91 116.69 3a8k h THR 61 Ca 0.00 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.17 3a8k h THR 61 Cb 0.89 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3a8k h THR 61 CO 0.04 0.01 0.07 -0.09 0.37 0.00 0.00 175.52 175.93 3a8k h ARG 62 N 0.06 0.16 -0.52 6.66 2.43 -1.82 -1.05 114.38 120.29 3a8k h ARG 62 Ca 0.11 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.32 3a8k h ARG 62 Cb 0.15 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 3a8k h ARG 62 CO -0.21 0.10 0.27 1.49 -1.51 0.00 0.00 179.97 180.11 3a8k h GLU 63 N 0.16 0.50 -0.52 0.20 4.81 -1.82 -1.56 114.58 116.35 3a8k h GLU 63 Ca 0.06 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.31 3a8k h GLU 63 Cb 0.01 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.23 3a8k h GLU 63 CO -0.04 0.33 0.26 0.35 -0.73 0.00 0.00 179.01 179.18 3a8k h PHE 64 N 0.52 0.48 0.00 0.92 3.57 -0.64 -2.79 116.94 118.99 3a8k h PHE 64 Ca 0.23 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.67 3a8k h PHE 64 Cb 0.13 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 3a8k h PHE 64 CO -0.10 0.23 -0.39 -0.07 -2.23 0.00 0.00 178.31 175.75 3a8k h LEU 65 N 0.51 0.00 -0.96 0.59 3.38 -0.67 0.68 115.31 118.84 3a8k h LEU 65 Ca 0.23 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 3a8k h LEU 65 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3a8k h LEU 65 CO -0.17 0.39 -0.34 0.03 0.09 0.00 0.00 178.44 178.45 3a8k h ARG 66 N 0.00 0.00 0.17 1.13 3.08 -1.04 -2.20 114.38 115.52 3a8k h ARG 66 Ca -0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.71 3a8k h ARG 66 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.07 3a8k h ARG 66 CO 0.05 0.34 -1.70 -0.92 -1.07 0.00 0.00 179.97 176.67 3a8k h TYR 67 N 0.00 0.64 -0.39 3.04 3.20 -1.27 -3.41 116.97 118.79 3a8k h TYR 67 Ca -0.00 -0.47 -0.08 0.00 3.14 0.00 0.00 58.73 61.32 3a8k h TYR 67 Cb 0.87 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.10 3a8k h TYR 67 CO 0.00 1.60 -0.07 1.25 -1.64 0.00 0.00 178.16 179.29 3a8k h LEU 68 N 0.10 0.74 -9.52 2.82 5.85 -0.79 -0.59 115.31 113.92 3a8k h LEU 68 Ca -0.32 -0.35 -0.63 0.00 0.84 0.00 0.00 57.88 57.42 3a8k h LEU 68 Cb 2.08 -0.20 -0.11 0.00 0.37 0.00 0.00 40.66 42.80 3a8k h LEU 68 CO 0.17 0.92 -0.65 -0.76 -0.34 0.00 0.00 178.44 177.78 3a8k s LEU 69 N -9.30 3.47 0.09 2.25 1.43 -0.83 -4.29 118.68 111.50 3a8k s LEU 69 Ca -0.13 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 3a8k s LEU 69 Cb 0.10 -2.17 -0.25 0.00 0.03 0.00 0.00 46.19 43.91 3a8k s LEU 69 CO 0.81 0.14 1.19 0.00 0.23 0.00 0.00 176.35 178.72 3a8k h ALA 70 N 3.12 0.24 -2.38 4.21 0.00 -1.74 -3.44 119.26 119.27 3a8k h ALA 70 Ca -0.47 -0.92 -0.45 0.00 0.00 0.00 0.00 54.91 53.06 3a8k h ALA 70 Cb 1.18 -0.05 0.14 0.00 0.00 0.00 0.00 17.79 19.05 3a8k h ALA 70 CO 0.60 1.13 0.31 1.21 0.00 0.00 0.00 179.25 182.50 3a8k s ASN 71 N -6.90 3.25 -0.28 0.00 3.84 -1.16 -1.83 114.94 111.86 3a8k s ASN 71 Ca -0.02 0.81 0.02 0.00 0.21 0.00 0.00 52.86 53.88 3a8k s ASN 71 Cb 0.09 -1.27 0.06 0.00 -0.55 0.00 0.00 41.25 39.58 3a8k s ASN 71 CO 0.85 -2.70 -0.07 -0.62 -2.79 0.00 0.00 177.10 171.77 3a8k s ASP 72 N -4.18 4.59 0.04 -4.21 3.68 -1.26 -4.78 116.67 110.56 3a8k s ASP 72 Ca 0.66 -1.43 0.14 0.00 2.13 0.00 0.00 52.55 54.05 3a8k s ASP 72 Cb -0.12 -1.60 0.60 0.00 -1.45 0.00 0.00 42.92 40.35 3a8k s ASP 72 CO 0.53 -0.22 1.44 1.33 0.13 0.00 0.00 175.17 178.38 3a8k n VAL 73 N 4.47 1.11 0.17 1.11 0.24 -1.26 -1.78 118.33 122.38 3a8k n VAL 73 Ca -0.12 0.29 0.11 0.00 -2.04 0.00 0.00 64.34 62.58 3a8k n VAL 73 Cb 0.42 -1.11 0.60 0.00 -1.47 0.00 0.00 33.84 32.28 3a8k n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a8k n ALA 74 N -1.55 1.04 0.59 2.33 0.00 -1.26 -1.28 120.51 120.38 3a8k n ALA 74 Ca 0.03 0.20 0.13 0.00 0.00 0.00 0.00 53.44 53.80 3a8k n ALA 74 Cb 0.15 -1.31 0.45 0.00 0.00 0.00 0.00 19.45 18.74 3a8k n ALA 74 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3a8k n LYS 75 N -2.27 0.21 -3.04 0.00 5.02 -0.73 -4.64 118.16 112.71 3a8k n LYS 75 Ca -0.01 0.26 -0.43 0.00 -2.02 0.00 0.00 58.31 56.10 3a8k n LYS 75 Cb 0.04 -1.78 -0.06 0.00 -0.02 0.00 0.00 35.03 33.21 3a8k n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3a8k s LEU 76 N -4.31 4.41 0.00 -0.35 1.43 -0.41 -4.82 118.68 114.63 3a8k s LEU 76 Ca 0.09 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 3a8k s LEU 76 Cb 0.12 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.53 3a8k s LEU 76 CO 0.52 -0.87 0.04 0.35 0.23 0.00 0.00 176.35 176.61 3a8k n THR 77 N 5.98 0.00 -3.91 5.49 -2.24 -1.26 -5.01 114.28 113.33 3a8k n THR 77 Ca -0.00 -0.27 -0.35 0.00 -2.27 0.00 0.00 64.05 61.16 3a8k n THR 77 Cb 0.48 1.06 -0.08 0.00 -2.10 0.00 0.00 70.33 69.69 3a8k n THR 77 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3a8k s LYS 78 N -0.46 3.82 0.18 -0.78 1.02 -1.26 -5.05 119.74 117.20 3a8k s LYS 78 Ca 0.00 -0.25 -0.32 0.00 0.02 0.00 0.00 55.97 55.42 3a8k s LYS 78 Cb 0.00 -3.24 -0.12 0.00 -0.52 0.00 0.00 37.83 33.95 3a8k s LYS 78 CO 0.00 0.45 1.73 0.45 -0.92 0.00 0.00 175.35 177.07 3a8k n SER 79 N 3.00 3.87 0.00 2.83 2.88 -1.26 -1.84 113.62 123.09 3a8k n SER 79 Ca -0.17 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.41 3a8k n SER 79 Cb 0.53 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 3a8k n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3a8k n GLY 80 N 3.96 1.93 3.77 0.46 0.00 0.23 -4.89 105.19 110.64 3a8k n GLY 80 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3a8k n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3a8k s LYS 81 N -0.90 4.12 0.18 1.61 2.47 -0.77 0.61 119.74 127.06 3a8k s LYS 81 Ca 0.00 1.79 0.09 0.00 -1.56 0.00 0.00 55.97 56.28 3a8k s LYS 81 Cb 0.00 -2.70 -0.04 0.00 -1.46 0.00 0.00 37.83 33.63 3a8k s LYS 81 CO 0.00 -0.25 -0.18 0.00 0.16 0.00 0.00 175.35 175.08 3a8k s ALA 82 N -1.43 2.08 0.22 3.13 0.00 -0.43 -0.80 121.76 124.53 3a8k s ALA 82 Ca 0.56 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.97 3a8k s ALA 82 Cb -0.29 -0.18 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 3a8k s ALA 82 CO 0.37 0.22 0.10 -0.48 0.00 0.00 0.00 175.76 175.97 3a8k s LEU 83 N -2.83 1.48 -0.11 0.00 0.05 -0.07 -4.88 118.68 112.32 3a8k s LEU 83 Ca 0.18 -1.36 -0.03 0.00 0.05 0.00 0.00 54.13 52.97 3a8k s LEU 83 Cb -0.05 0.18 -0.03 0.00 -2.05 0.00 0.00 46.19 44.24 3a8k s LEU 83 CO 0.07 -0.76 0.01 -0.47 -0.55 0.00 0.00 176.35 174.65 3a8k s TYR 84 N -3.93 3.17 -0.11 3.48 5.04 -1.26 -1.25 117.35 122.49 3a8k s TYR 84 Ca 0.36 0.12 -0.13 0.00 -2.44 0.00 0.00 57.07 54.98 3a8k s TYR 84 Cb 0.07 -1.86 0.03 0.00 0.35 0.00 0.00 41.96 40.55 3a8k s TYR 84 CO 0.11 0.36 0.34 0.45 -1.34 0.00 0.00 175.55 175.48 3a8k s SER 85 N -0.52 -0.33 0.52 4.32 0.15 0.39 -4.83 113.70 113.38 3a8k s SER 85 Ca 0.09 0.58 -0.19 0.00 0.70 0.00 0.00 55.95 57.14 3a8k s SER 85 Cb -0.12 0.64 -0.07 0.00 -1.71 0.00 0.00 66.02 64.76 3a8k s SER 85 CO 0.02 -0.19 1.05 -0.83 1.20 0.00 0.00 173.24 174.49 3a8k s GLY 86 N -0.12 2.41 -0.15 9.45 0.00 -1.26 0.34 107.32 117.99 3a8k s GLY 86 Ca -0.03 0.56 0.01 0.00 0.00 0.00 0.00 44.72 45.26 3a8k s GLY 86 CO 0.01 0.88 -0.18 -0.29 0.00 0.00 0.00 173.10 173.52 3a8k s MET 87 N -3.46 2.63 0.22 2.90 0.00 -0.02 -2.19 119.30 119.38 3a8k s MET 87 Ca 0.66 -0.70 0.11 0.00 0.00 0.00 0.00 55.69 55.77 3a8k s MET 87 Cb -0.17 -2.28 -0.05 0.00 0.00 0.00 0.00 34.83 32.34 3a8k s MET 87 CO 0.25 -0.16 -0.22 -0.51 0.00 0.00 0.00 175.02 174.37 3a8k s LEU 88 N 1.23 2.49 0.75 4.11 1.43 -1.26 -0.52 118.68 126.90 3a8k s LEU 88 Ca 0.01 -0.92 -0.06 0.00 -1.03 0.00 0.00 54.13 52.13 3a8k s LEU 88 Cb -0.14 -1.11 0.11 0.00 0.03 0.00 0.00 46.19 45.08 3a8k s LEU 88 CO -0.09 0.08 1.04 0.54 0.23 0.00 0.00 176.35 178.15 3a8k s ASN 89 N -2.96 4.35 0.00 2.29 2.20 -0.46 -4.66 114.94 115.70 3a8k s ASN 89 Ca 0.23 0.07 0.17 0.00 -0.94 0.00 0.00 52.86 52.40 3a8k s ASN 89 Cb -0.07 -0.52 1.03 0.00 -2.00 0.00 0.00 41.25 39.69 3a8k s ASN 89 CO 0.11 -1.88 1.46 0.00 -2.94 0.00 0.00 177.10 173.85 3a8k n ALA 90 N -3.00 2.25 0.79 3.54 0.00 -1.26 -1.12 120.51 121.71 3a8k n ALA 90 Ca 0.12 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.59 3a8k n ALA 90 Cb 0.60 -1.28 0.50 0.00 0.00 0.00 0.00 19.45 19.27 3a8k n ALA 90 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3a8k n SER 91 N -0.92 0.46 0.00 0.00 3.41 -1.26 -4.45 113.62 110.86 3a8k n SER 91 Ca 0.13 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 3a8k n SER 91 Cb 0.06 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 3a8k n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a8k n GLY 92 N 1.38 2.01 3.75 5.00 0.00 -0.27 -4.75 105.19 112.31 3a8k n GLY 92 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3a8k n GLY 92 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a8k s GLY 93 N -2.11 2.76 -0.25 -0.02 0.00 -1.26 -4.01 107.32 102.44 3a8k s GLY 93 Ca 0.00 1.04 -0.20 0.00 0.00 0.00 0.00 44.72 45.56 3a8k s GLY 93 CO 0.00 1.45 0.60 0.14 0.00 0.00 0.00 173.10 175.29 3a8k s VAL 94 N -1.55 5.02 -0.07 1.40 1.01 -0.59 -1.35 120.40 124.26 3a8k s VAL 94 Ca 0.76 1.07 -0.20 0.00 0.00 0.00 0.00 61.98 63.60 3a8k s VAL 94 Cb -0.31 -3.91 -0.30 0.00 0.00 0.00 0.00 36.38 31.86 3a8k s VAL 94 CO 0.35 0.06 0.78 0.40 0.00 0.00 0.00 175.10 176.69 3a8k h ILE 95 N 5.36 1.37 -3.11 2.22 2.04 -1.09 -2.22 117.51 122.09 3a8k h ILE 95 Ca -0.28 -2.49 -0.01 0.00 1.00 0.00 0.00 64.86 63.09 3a8k h ILE 95 Cb 1.13 3.05 -0.10 0.00 -0.74 0.00 0.00 36.82 40.16 3a8k h ILE 95 CO 0.76 0.70 0.14 -0.62 0.00 0.00 0.00 178.15 179.13 3a8k s ASP 96 N -6.96 -0.40 -0.16 1.72 -1.08 -1.06 -4.92 116.67 103.81 3a8k s ASP 96 Ca -0.16 -0.27 -0.06 0.00 -0.52 0.00 0.00 52.55 51.55 3a8k s ASP 96 Cb 0.02 0.61 -0.04 0.00 -1.46 0.00 0.00 42.92 42.05 3a8k s ASP 96 CO 0.80 -1.05 0.04 0.54 0.52 0.00 0.00 175.17 176.02 3a8k s ASN 97 N -2.82 5.48 0.25 -0.34 4.22 -1.26 -0.84 114.94 119.63 3a8k s ASN 97 Ca 0.05 0.08 0.02 0.00 -2.14 0.00 0.00 52.86 50.87 3a8k s ASN 97 Cb -0.02 -1.87 -0.04 0.00 1.28 0.00 0.00 41.25 40.61 3a8k s ASN 97 CO -0.07 0.22 0.17 -1.48 -2.04 0.00 0.00 177.10 173.90 3a8k s LEU 98 N 0.09 1.40 -0.09 3.54 0.05 0.15 -4.71 118.68 119.11 3a8k s LEU 98 Ca 0.04 -1.50 -0.00 0.00 0.05 0.00 0.00 54.13 52.72 3a8k s LEU 98 Cb -0.12 0.37 -0.03 0.00 -2.05 0.00 0.00 46.19 44.36 3a8k s LEU 98 CO 0.01 -0.89 -0.06 -0.63 -0.55 0.00 0.00 176.35 174.23 3a8k s ILE 99 N -3.89 3.73 -0.06 1.48 1.01 -1.12 -0.46 121.20 121.89 3a8k s ILE 99 Ca 0.39 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.62 3a8k s ILE 99 Cb 0.06 -2.55 0.00 0.00 0.01 0.00 0.00 42.46 39.98 3a8k s ILE 99 CO 0.17 0.57 -0.17 0.54 0.00 0.00 0.00 174.94 176.05 3a8k s VAL 100 N -0.51 1.46 -0.11 2.92 0.11 -0.38 -0.88 120.40 123.00 3a8k s VAL 100 Ca 0.08 -0.69 -0.04 0.00 -2.93 0.00 0.00 61.98 58.39 3a8k s VAL 100 Cb -0.12 -1.28 -0.04 0.00 -1.53 0.00 0.00 36.38 33.42 3a8k s VAL 100 CO 0.02 0.42 0.04 -0.31 -3.33 0.00 0.00 175.10 171.94 3a8k s TYR 101 N 0.32 3.26 -0.23 1.54 1.51 0.44 -0.89 117.35 123.30 3a8k s TYR 101 Ca -0.11 0.22 -0.10 0.00 -1.01 0.00 0.00 57.07 56.08 3a8k s TYR 101 Cb -0.14 -1.87 -0.05 0.00 -0.11 0.00 0.00 41.96 39.79 3a8k s TYR 101 CO 0.04 0.46 0.15 -0.47 -1.11 0.00 0.00 175.55 174.62 3a8k s TYR 102 N -0.69 3.30 -0.15 2.71 5.04 0.02 -1.39 117.35 126.19 3a8k s TYR 102 Ca 0.11 0.18 -0.07 0.00 -2.44 0.00 0.00 57.07 54.86 3a8k s TYR 102 Cb -0.12 -2.25 -0.07 0.00 0.35 0.00 0.00 41.96 39.88 3a8k s TYR 102 CO 0.02 0.06 -0.19 1.19 -1.34 0.00 0.00 175.55 175.29 3a8k n PHE 103 N 4.23 0.00 -4.10 4.97 3.72 -0.34 0.74 117.46 126.68 3a8k n PHE 103 Ca -0.15 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.12 3a8k n PHE 103 Cb 0.52 -0.55 -0.06 0.00 -0.94 0.00 0.00 39.48 38.46 3a8k n PHE 103 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3a8k s THR 104 N -2.28 0.00 0.56 4.37 -4.23 -0.85 -4.55 115.64 108.66 3a8k s THR 104 Ca -0.21 -1.66 0.24 0.00 -1.18 0.00 0.00 61.69 58.88 3a8k s THR 104 Cb 0.08 -2.50 0.32 0.00 1.34 0.00 0.00 72.50 71.75 3a8k s THR 104 CO 0.27 0.00 2.20 -0.33 -0.54 0.00 0.00 174.62 176.23 3a8k h GLU 105 N 2.24 0.00 -0.28 3.99 4.39 -1.98 -2.31 114.58 120.64 3a8k h GLU 105 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 3a8k h GLU 105 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 3a8k h GLU 105 CO 0.40 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 178.00 3a8k n ASP 106 N -4.13 3.51 -3.37 1.42 8.00 -1.26 -3.84 116.55 116.87 3a8k n ASP 106 Ca -0.03 -2.66 -0.07 0.00 0.71 0.00 0.00 54.79 52.75 3a8k n ASP 106 Cb 0.11 -0.43 -0.07 0.00 -0.02 0.00 0.00 41.12 40.71 3a8k n ASP 106 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3a8k s PHE 107 N -2.18 -0.94 0.16 1.24 5.36 -0.87 -1.13 117.98 119.63 3a8k s PHE 107 Ca 0.35 1.09 0.06 0.00 -0.96 0.00 0.00 56.93 57.46 3a8k s PHE 107 Cb 0.26 0.15 -0.04 0.00 -0.34 0.00 0.00 43.02 43.05 3a8k s PHE 107 CO 0.11 -0.70 -0.12 -0.06 -1.46 0.00 0.00 175.22 172.99 3a8k s PHE 108 N 2.61 1.42 -0.03 10.12 0.40 -0.69 -1.20 117.98 130.61 3a8k s PHE 108 Ca 0.11 -0.68 0.05 0.00 -0.60 0.00 0.00 56.93 55.81 3a8k s PHE 108 Cb -0.15 -0.70 -0.01 0.00 0.51 0.00 0.00 43.02 42.68 3a8k s PHE 108 CO -0.16 0.18 -0.16 0.50 0.70 0.00 0.00 175.22 176.28 3a8k s ARG 109 N -3.62 1.52 0.04 0.44 3.52 -0.49 -0.81 118.95 119.55 3a8k s ARG 109 Ca 0.18 -0.58 0.05 0.00 -0.13 0.00 0.00 55.73 55.24 3a8k s ARG 109 Cb 0.01 -1.39 -0.04 0.00 -1.56 0.00 0.00 34.95 31.97 3a8k s ARG 109 CO 0.03 0.29 -0.07 -0.51 -0.81 0.00 0.00 175.30 174.22 3a8k s LEU 110 N -0.15 3.14 -0.12 -0.88 1.43 0.47 -0.42 118.68 122.14 3a8k s LEU 110 Ca 0.01 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 3a8k s LEU 110 Cb -0.09 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.30 3a8k s LEU 110 CO 0.01 0.24 -0.15 -0.69 0.23 0.00 0.00 176.35 175.99 3a8k s VAL 111 N -1.08 1.52 0.29 -1.59 1.01 -0.06 -0.89 120.40 119.59 3a8k s VAL 111 Ca 0.19 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.63 3a8k s VAL 111 Cb -0.11 -1.40 -0.06 0.00 0.00 0.00 0.00 36.38 34.81 3a8k s VAL 111 CO 0.10 0.45 -0.13 0.68 0.00 0.00 0.00 175.10 176.20 3a8k s VAL 112 N 1.18 2.12 0.68 2.92 -7.23 0.12 -2.78 120.40 117.43 3a8k s VAL 112 Ca -0.02 -2.25 -0.12 0.00 -1.81 0.00 0.00 61.98 57.77 3a8k s VAL 112 Cb -0.14 -2.41 0.01 0.00 0.56 0.00 0.00 36.38 34.39 3a8k s VAL 112 CO -0.05 -0.34 1.07 0.20 -0.31 0.00 0.00 175.10 175.67 3a8k s ASN 113 N -3.50 5.26 0.14 4.85 0.01 -1.26 -1.24 114.94 119.20 3a8k s ASN 113 Ca 0.30 1.74 -0.16 0.00 -0.71 0.00 0.00 52.86 54.03 3a8k s ASN 113 Cb -0.00 -2.51 -0.00 0.00 0.41 0.00 0.00 41.25 39.14 3a8k s ASN 113 CO 0.14 -1.52 1.76 -1.28 -1.51 0.00 0.00 177.10 174.69 3a8k h SER 114 N -0.46 0.47 0.69 -1.22 0.87 -1.92 -2.67 113.55 109.30 3a8k h SER 114 Ca -0.45 -0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 59.96 3a8k h SER 114 Cb 1.22 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.05 3a8k h SER 114 CO 0.55 0.40 -0.41 0.00 -0.53 0.00 0.00 176.83 176.84 3a8k h ALA 115 N 1.09 1.07 -0.28 6.23 0.00 -1.91 -2.92 119.26 122.54 3a8k h ALA 115 Ca 0.14 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3a8k h ALA 115 Cb 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3a8k h ALA 115 CO -0.02 0.52 0.00 0.25 0.00 0.00 0.00 179.25 179.99 3a8k n THR 116 N -3.69 0.40 -0.12 0.00 -2.24 -1.21 -4.76 114.28 102.67 3a8k n THR 116 Ca -0.01 -0.70 -0.14 0.00 -2.27 0.00 0.00 64.05 60.93 3a8k n THR 116 Cb 0.50 1.06 -0.10 0.00 -2.10 0.00 0.00 70.33 69.69 3a8k n THR 116 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3a8k h ARG 117 N 3.96 -0.41 -0.36 -0.78 2.43 -1.27 0.12 114.38 118.07 3a8k h ARG 117 Ca 0.00 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 3a8k h ARG 117 Cb 0.89 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 3a8k h ARG 117 CO 0.00 -0.27 -0.09 0.93 -1.51 0.00 0.00 179.97 179.03 3a8k h GLU 118 N -0.43 0.69 -0.35 0.20 4.39 -1.85 0.12 114.58 117.35 3a8k h GLU 118 Ca 0.07 -0.26 0.05 0.00 0.34 0.00 0.00 59.36 59.56 3a8k h GLU 118 Cb 0.61 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.17 3a8k h GLU 118 CO -0.58 0.85 0.06 -0.22 -1.16 0.00 0.00 179.01 177.96 3a8k h LYS 119 N 0.48 0.17 -0.30 2.33 3.64 -1.89 -1.31 116.57 119.70 3a8k h LYS 119 Ca 0.09 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 3a8k h LYS 119 Cb 0.59 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 3a8k h LYS 119 CO 0.04 0.11 -0.10 -0.44 -2.27 0.00 0.00 179.45 176.79 3a8k h ASP 120 N 0.17 0.60 -0.79 4.20 5.19 -0.40 -0.58 116.42 124.82 3a8k h ASP 120 Ca 0.17 -0.38 0.01 0.00 -0.62 0.00 0.00 57.03 56.21 3a8k h ASP 120 Cb 0.20 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 39.50 3a8k h ASP 120 CO -0.23 0.85 0.52 -0.07 -3.12 0.00 0.00 179.24 177.18 3a8k h LEU 121 N 0.36 0.89 -0.53 1.55 3.38 -0.71 0.71 115.31 120.96 3a8k h LEU 121 Ca 0.07 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 3a8k h LEU 121 Cb 0.59 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3a8k h LEU 121 CO 0.03 0.64 0.04 0.28 0.09 0.00 0.00 178.44 179.52 3a8k h SER 122 N 1.05 0.88 -0.68 -0.43 0.02 -0.99 0.92 113.55 114.32 3a8k h SER 122 Ca 0.29 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3a8k h SER 122 Cb -0.09 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.18 3a8k h SER 122 CO -0.07 0.95 0.43 -0.25 -1.14 0.00 0.00 176.83 176.75 3a8k h TRP 123 N 0.78 0.87 -0.05 3.45 2.91 -0.74 -1.29 115.95 121.88 3a8k h TRP 123 Ca 0.15 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.15 3a8k h TRP 123 Cb 0.48 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 28.84 3a8k h TRP 123 CO 0.04 0.56 -0.12 0.82 -1.03 0.00 0.00 178.44 178.71 3a8k h ILE 124 N 0.92 1.44 -0.64 2.65 2.04 -0.56 -2.02 117.51 121.33 3a8k h ILE 124 Ca 0.25 -1.47 -0.06 0.00 1.00 0.00 0.00 64.86 64.57 3a8k h ILE 124 Cb -0.07 2.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 3a8k h ILE 124 CO -0.05 0.40 0.15 0.71 0.00 0.00 0.00 178.15 179.36 3a8k h THR 125 N -0.35 1.25 -0.04 -0.27 1.35 -0.72 0.29 112.91 114.42 3a8k h THR 125 Ca -0.00 -0.93 -0.01 0.00 -0.55 0.00 0.00 66.41 64.93 3a8k h THR 125 Cb 0.72 0.60 -0.00 0.00 -1.73 0.00 0.00 68.15 67.74 3a8k h THR 125 CO 0.03 0.35 0.00 -0.61 -0.25 0.00 0.00 175.52 175.04 3a8k h GLN 126 N 0.96 0.06 0.00 4.72 4.15 -1.27 -2.40 115.11 121.34 3a8k h GLN 126 Ca 0.20 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.49 3a8k h GLN 126 Cb 0.35 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 3a8k h GLN 126 CO 0.00 0.34 -0.53 0.45 -1.93 0.00 0.00 178.83 177.16 3a8k h HIS 127 N -0.22 0.00 0.00 3.99 3.86 -1.08 -3.18 115.15 118.51 3a8k h HIS 127 Ca 0.01 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.10 3a8k h HIS 127 Cb 0.31 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 3a8k h HIS 127 CO 0.03 0.53 -0.56 0.00 0.86 0.00 0.00 177.93 178.78 3a8k h ALA 128 N 1.47 0.80 -0.64 2.45 0.00 -0.38 -3.39 119.26 119.58 3a8k h ALA 128 Ca -0.01 -0.51 0.11 0.00 0.00 0.00 0.00 54.91 54.50 3a8k h ALA 128 Cb 1.09 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.67 3a8k h ALA 128 CO 0.07 0.70 -0.34 1.49 0.00 0.00 0.00 179.25 181.17 3a8k h GLU 129 N 0.00 -0.14 0.00 0.00 4.81 -1.41 0.29 114.58 118.13 3a8k h GLU 129 Ca -0.01 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3a8k h GLU 129 Cb 1.20 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.61 3a8k h GLU 129 CO 0.07 -0.09 0.00 -1.00 -0.73 0.00 0.00 179.01 177.26 3a8k h PRO 130 N -0.14 0.00 -0.00 0.92 0.13 -1.81 -2.03 132.00 129.06 3a8k h PRO 130 Ca 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 3a8k h PRO 130 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 3a8k h PRO 130 CO -0.71 0.00 -0.03 1.19 -0.23 0.00 0.00 178.00 178.22 3a8k n PHE 131 N -2.86 0.00 -3.56 1.56 3.72 0.10 -4.96 117.46 111.47 3a8k n PHE 131 Ca -0.02 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.16 3a8k n PHE 131 Cb 0.09 -0.10 0.08 0.00 -0.94 0.00 0.00 39.48 38.61 3a8k n PHE 131 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a8k n GLY 132 N 1.15 -0.46 3.87 1.37 0.00 -0.77 -4.58 105.19 105.78 3a8k n GLY 132 Ca 0.19 0.19 -0.36 0.00 0.00 0.00 0.00 46.02 46.04 3a8k n GLY 132 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a8k s ILE 133 N -3.35 5.35 -0.26 -0.61 1.01 -1.26 -4.86 121.20 117.22 3a8k s ILE 133 Ca 0.34 0.29 -0.26 0.00 0.00 0.00 0.00 60.65 61.01 3a8k s ILE 133 Cb -0.15 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.80 3a8k s ILE 133 CO 0.74 0.51 0.92 -0.70 0.00 0.00 0.00 174.94 176.41 3a8k s GLU 134 N -1.34 4.17 -0.21 2.79 2.12 0.07 -4.91 118.70 121.39 3a8k s GLU 134 Ca 0.21 1.05 -0.02 0.00 0.36 0.00 0.00 54.97 56.57 3a8k s GLU 134 Cb -0.13 -3.66 0.00 0.00 0.26 0.00 0.00 34.13 30.60 3a8k s GLU 134 CO 0.11 -0.62 -0.09 0.42 -0.54 0.00 0.00 175.26 174.53 3a8k s ILE 135 N 3.07 2.90 -0.15 -3.70 1.01 -1.26 -1.01 121.20 122.06 3a8k s ILE 135 Ca 0.39 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 60.36 3a8k s ILE 135 Cb -0.15 -2.32 0.01 0.00 0.01 0.00 0.00 42.46 40.02 3a8k s ILE 135 CO 0.08 0.43 -0.20 -0.89 0.00 0.00 0.00 174.94 174.36 3a8k s THR 136 N 1.40 2.19 -0.32 2.92 2.01 0.18 -4.98 115.64 119.05 3a8k s THR 136 Ca 0.05 -0.93 -0.21 0.00 0.31 0.00 0.00 61.69 60.91 3a8k s THR 136 Cb -0.14 -1.89 -0.00 0.00 0.01 0.00 0.00 72.50 70.47 3a8k s THR 136 CO -0.06 0.54 0.68 -0.69 -0.69 0.00 0.00 174.62 174.39 3a8k s VAL 137 N 0.90 4.88 -1.23 3.82 1.01 -1.26 -0.73 120.40 127.79 3a8k s VAL 137 Ca -0.05 0.87 -0.06 0.00 0.00 0.00 0.00 61.98 62.75 3a8k s VAL 137 Cb -0.15 -4.06 0.06 0.00 0.00 0.00 0.00 36.38 32.23 3a8k s VAL 137 CO -0.03 -0.22 2.57 0.54 0.00 0.00 0.00 175.10 177.96 3a8k n ARG 138 N 6.03 4.10 0.00 2.72 5.12 0.98 -4.62 116.66 130.99 3a8k n ARG 138 Ca 0.00 -3.03 0.10 0.00 -1.93 0.00 0.00 57.85 52.99 3a8k n ARG 138 Cb 0.49 -2.58 0.50 0.00 -1.16 0.00 0.00 32.46 29.70 3a8k n ARG 138 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3a8k n ASP 139 N 1.96 0.00 0.00 0.55 8.00 -1.26 -1.83 116.55 123.97 3a8k n ASP 139 Ca 0.63 0.21 0.11 0.00 0.71 0.00 0.00 54.79 56.45 3a8k n ASP 139 Cb 0.30 -0.38 0.58 0.00 -0.02 0.00 0.00 41.12 41.60 3a8k n ASP 139 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3a8k n ASP 140 N -1.38 0.00 -4.51 -2.24 5.75 -1.26 -4.82 116.55 108.09 3a8k n ASP 140 Ca 0.08 -0.13 -0.33 0.00 -0.01 0.00 0.00 54.79 54.40 3a8k n ASP 140 Cb 0.20 -0.25 -0.12 0.00 -1.03 0.00 0.00 41.12 39.92 3a8k n ASP 140 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3a8k s LEU 141 N -2.49 2.93 0.57 -2.12 1.43 -0.76 -1.53 118.68 116.70 3a8k s LEU 141 Ca 0.23 -0.14 0.09 0.00 -1.03 0.00 0.00 54.13 53.28 3a8k s LEU 141 Cb 0.15 -1.63 0.08 0.00 0.03 0.00 0.00 46.19 44.82 3a8k s LEU 141 CO 0.33 0.32 0.71 -0.44 0.23 0.00 0.00 176.35 177.50 3a8k s SER 142 N -0.57 5.00 -0.28 2.29 0.01 0.74 -4.78 113.70 116.10 3a8k s SER 142 Ca 0.08 -0.94 -0.17 0.00 1.31 0.00 0.00 55.95 56.23 3a8k s SER 142 Cb -0.12 0.33 0.09 0.00 0.21 0.00 0.00 66.02 66.53 3a8k s SER 142 CO 0.02 -1.29 0.74 -0.32 0.41 0.00 0.00 173.24 172.80 3a8k s MET 143 N -4.58 0.67 -0.08 12.44 1.75 -1.26 -1.36 119.30 126.87 3a8k s MET 143 Ca 0.56 1.10 0.04 0.00 -1.25 0.00 0.00 55.69 56.14 3a8k s MET 143 Cb -0.05 0.16 0.00 0.00 2.84 0.00 0.00 34.83 37.78 3a8k s MET 143 CO 0.35 -0.13 -0.20 0.42 -0.65 0.00 0.00 175.02 174.81 3a8k s ILE 144 N 1.43 1.73 -0.26 10.11 1.01 -0.37 -0.85 121.20 133.99 3a8k s ILE 144 Ca -0.08 -0.84 -0.10 0.00 0.00 0.00 0.00 60.65 59.62 3a8k s ILE 144 Cb -0.05 -1.51 -0.05 0.00 0.01 0.00 0.00 42.46 40.87 3a8k s ILE 144 CO -0.17 0.49 0.17 0.00 0.00 0.00 0.00 174.94 175.43 3a8k s ALA 145 N 0.36 3.50 -0.20 9.38 0.00 0.27 -0.84 121.76 134.23 3a8k s ALA 145 Ca -0.15 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 50.74 3a8k s ALA 145 Cb -0.16 -2.38 -0.01 0.00 0.00 0.00 0.00 23.12 20.56 3a8k s ALA 145 CO 0.06 -0.44 -0.07 0.08 0.00 0.00 0.00 175.76 175.39 3a8k s VAL 146 N 1.55 3.24 -0.04 0.00 1.01 0.15 -0.79 120.40 125.52 3a8k s VAL 146 Ca 0.07 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 3a8k s VAL 146 Cb -0.15 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.79 3a8k s VAL 146 CO 0.08 0.45 0.14 -1.10 0.00 0.00 0.00 175.10 174.68 3a8k s GLN 147 N 1.19 0.24 0.00 2.72 -1.52 -0.37 0.20 119.66 122.12 3a8k s GLN 147 Ca 0.02 0.05 0.00 0.00 -1.95 0.00 0.00 55.36 53.48 3a8k s GLN 147 Cb -0.14 0.11 0.00 0.00 -0.22 0.00 0.00 33.01 32.75 3a8k s GLN 147 CO -0.02 -0.04 0.00 0.41 -0.25 0.00 0.00 175.29 175.39 3a8k n GLY 148 N 2.62 3.21 0.26 3.09 0.00 0.18 -1.24 105.19 113.32 3a8k n GLY 148 Ca -0.15 -1.88 0.13 0.00 0.00 0.00 0.00 46.02 44.11 3a8k n GLY 148 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a8k h PRO 149 N 0.00 0.00 -0.42 1.61 0.13 -1.59 -1.65 132.00 130.08 3a8k h PRO 149 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3a8k h PRO 149 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3a8k h PRO 149 CO 0.00 0.12 0.00 0.09 -0.23 0.00 0.00 178.00 177.98 3a8k n ASN 150 N -3.64 3.34 0.02 1.44 3.02 0.46 -4.68 115.26 115.23 3a8k n ASN 150 Ca -0.02 -1.95 -0.12 0.00 -0.03 0.00 0.00 54.58 52.47 3a8k n ASN 150 Cb 0.24 -0.27 -0.07 0.00 -0.61 0.00 0.00 39.78 39.06 3a8k n ASN 150 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a8k h ALA 151 N 3.78 0.03 -0.46 5.41 0.00 -1.31 -1.34 119.26 125.36 3a8k h ALA 151 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3a8k h ALA 151 Cb 0.89 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3a8k h ALA 151 CO 0.00 -0.44 0.20 1.96 0.00 0.00 0.00 179.25 180.97 3a8k h GLN 152 N -0.02 0.68 -0.06 0.00 4.20 -1.83 -0.78 115.11 117.29 3a8k h GLN 152 Ca 0.01 -0.11 0.01 0.00 0.06 0.00 0.00 58.65 58.62 3a8k h GLN 152 Cb 0.05 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3a8k h GLN 152 CO -0.00 0.60 -0.03 0.00 -0.67 0.00 0.00 178.83 178.73 3a8k h ALA 153 N 1.04 0.03 -0.56 3.87 0.00 -1.87 0.10 119.26 121.87 3a8k h ALA 153 Ca 0.16 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3a8k h ALA 153 Cb 0.17 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3a8k h ALA 153 CO -0.02 -0.50 0.24 0.87 0.00 0.00 0.00 179.25 179.84 3a8k h LYS 154 N -0.02 0.83 -0.57 0.00 1.57 -1.05 -2.65 116.57 114.69 3a8k h LYS 154 Ca 0.03 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.58 3a8k h LYS 154 Cb 0.07 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3a8k h LYS 154 CO -0.08 0.71 -0.01 0.00 -0.57 0.00 0.00 179.45 179.50 3a8k h ALA 155 N 1.08 0.90 0.00 3.86 0.00 -1.06 -2.80 119.26 121.25 3a8k h ALA 155 Ca 0.19 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3a8k h ALA 155 Cb 0.18 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3a8k h ALA 155 CO -0.02 0.65 -0.01 0.00 0.00 0.00 0.00 179.25 179.87 3a8k h ALA 156 N 1.07 1.04 0.00 0.00 0.00 -0.63 -1.02 119.26 119.71 3a8k h ALA 156 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3a8k h ALA 156 Cb 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3a8k h ALA 156 CO 0.03 0.02 0.00 1.79 0.00 0.00 0.00 179.25 181.09 3a8k h THR 157 N 0.00 0.00 -0.02 0.00 1.35 -1.21 -2.68 112.91 110.36 3a8k h THR 157 Ca -0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 3a8k h THR 157 Cb 0.26 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 3a8k h THR 157 CO 0.00 0.00 -0.15 0.18 -0.25 0.00 0.00 175.52 175.30 3a8k n LEU 158 N -2.34 2.05 -4.81 3.87 4.77 -0.39 -4.95 117.00 115.20 3a8k n LEU 158 Ca 0.00 -0.90 -0.30 0.00 -0.03 0.00 0.00 56.01 54.79 3a8k n LEU 158 Cb 0.14 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.33 3a8k n LEU 158 CO 0.16 0.37 0.72 -0.36 -1.33 0.00 0.00 177.39 176.95 3a8k s PHE 159 N -1.62 2.82 0.71 -1.77 0.08 -1.01 -5.11 117.98 112.08 3a8k s PHE 159 Ca 0.17 1.10 -0.02 0.00 0.12 0.00 0.00 56.93 58.30 3a8k s PHE 159 Cb 0.13 -3.16 0.11 0.00 -0.57 0.00 0.00 43.02 39.53 3a8k s PHE 159 CO 0.30 -1.82 0.98 0.54 -0.10 0.00 0.00 175.22 175.12 3a8k s ASN 160 N -3.95 4.47 0.25 1.36 2.20 -1.26 -4.91 114.94 113.10 3a8k s ASN 160 Ca 0.61 -0.17 -0.03 0.00 -0.94 0.00 0.00 52.86 52.33 3a8k s ASN 160 Cb -0.14 -0.31 0.40 0.00 -2.00 0.00 0.00 41.25 39.21 3a8k s ASN 160 CO 0.54 -1.77 1.84 0.44 -2.94 0.00 0.00 177.10 175.21 3a8k h ASP 161 N -0.51 0.82 -0.12 3.54 3.32 -1.99 -1.18 116.42 120.31 3a8k h ASP 161 Ca -0.39 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 56.58 3a8k h ASP 161 Cb 1.28 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 3a8k h ASP 161 CO 0.44 0.49 -0.30 0.00 -1.72 0.00 0.00 179.24 178.15 3a8k h ALA 162 N 1.45 0.94 -0.04 3.45 0.00 -1.99 -1.13 119.26 121.95 3a8k h ALA 162 Ca 0.41 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3a8k h ALA 162 Cb 0.30 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3a8k h ALA 162 CO -0.22 0.61 0.01 1.96 0.00 0.00 0.00 179.25 181.62 3a8k h GLN 163 N 0.51 0.06 -0.96 0.00 4.20 -1.75 -0.71 115.11 116.46 3a8k h GLN 163 Ca 0.06 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.78 3a8k h GLN 163 Cb 0.77 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.49 3a8k h GLN 163 CO 0.06 0.24 0.63 0.00 -0.67 0.00 0.00 178.83 179.09 3a8k h ARG 164 N -0.13 1.23 -0.38 1.46 3.08 -1.10 -2.43 114.38 116.10 3a8k h ARG 164 Ca 0.01 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 3a8k h ARG 164 Cb 0.20 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3a8k h ARG 164 CO -0.00 0.81 0.07 0.37 -1.07 0.00 0.00 179.97 180.15 3a8k h GLN 165 N 1.26 0.63 -0.99 0.04 5.75 -1.11 -1.59 115.11 119.11 3a8k h GLN 165 Ca 0.36 -0.17 0.14 0.00 -0.15 0.00 0.00 58.65 58.84 3a8k h GLN 165 Cb -0.09 -0.08 -0.09 0.00 1.07 0.00 0.00 27.48 28.30 3a8k h GLN 165 CO -0.10 0.68 0.62 0.00 -2.65 0.00 0.00 178.83 177.39 3a8k h ALA 166 N 0.92 1.61 -0.41 3.38 0.00 -0.67 -2.59 119.26 121.51 3a8k h ALA 166 Ca 0.12 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3a8k h ALA 166 Cb 0.35 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3a8k h ALA 166 CO 0.01 0.10 0.00 1.33 0.00 0.00 0.00 179.25 180.69 3a8k n VAL 167 N -4.65 0.60 -1.81 0.00 0.24 -0.98 -4.88 118.33 106.84 3a8k n VAL 167 Ca 0.20 -0.80 -0.42 0.00 -2.04 0.00 0.00 64.34 61.28 3a8k n VAL 167 Cb 0.44 0.88 -0.03 0.00 -1.47 0.00 0.00 33.84 33.65 3a8k n VAL 167 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3a8k s GLU 168 N -1.30 4.16 -0.82 7.34 2.12 -0.61 -1.21 118.70 128.37 3a8k s GLU 168 Ca 0.36 2.46 0.00 0.00 0.36 0.00 0.00 54.97 58.15 3a8k s GLU 168 Cb 0.21 -3.82 0.00 0.00 0.26 0.00 0.00 34.13 30.78 3a8k s GLU 168 CO 0.29 -0.84 0.00 0.41 -0.54 0.00 0.00 175.26 174.57 3a8k n GLY 169 N 4.24 0.93 3.70 -1.50 0.00 -1.26 -4.94 105.19 106.37 3a8k n GLY 169 Ca 0.18 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 3a8k n GLY 169 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3a8k s MET 170 N -2.37 4.27 0.68 1.61 1.75 -0.35 -4.98 119.30 119.90 3a8k s MET 170 Ca 0.00 2.16 -0.15 0.00 -1.25 0.00 0.00 55.69 56.45 3a8k s MET 170 Cb 0.00 -3.38 0.01 0.00 2.84 0.00 0.00 34.83 34.30 3a8k s MET 170 CO 0.00 -0.56 1.12 0.15 -0.65 0.00 0.00 175.02 175.08 3a8k s LYS 171 N 1.73 2.67 0.62 4.11 1.02 -1.26 -5.00 119.74 123.63 3a8k s LYS 171 Ca 0.67 1.42 -0.18 0.00 0.02 0.00 0.00 55.97 57.91 3a8k s LYS 171 Cb -0.38 -1.93 -0.05 0.00 -0.52 0.00 0.00 37.83 34.95 3a8k s LYS 171 CO 0.30 -1.36 0.77 -2.30 -0.92 0.00 0.00 175.35 171.84 3a8k n PRO 172 N -2.54 0.65 -3.45 -1.68 -0.02 -1.26 -3.58 135.00 123.13 3a8k n PRO 172 Ca 0.11 0.26 -0.17 0.00 -2.02 0.00 0.00 63.50 61.67 3a8k n PRO 172 Cb 0.52 -1.98 0.09 0.00 -0.02 0.00 0.00 33.50 32.10 3a8k n PRO 172 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3a8k n PHE 173 N -1.90 -2.17 -4.15 6.00 3.01 0.11 -4.93 117.46 113.43 3a8k n PHE 173 Ca 0.13 0.93 -0.16 0.00 1.01 0.00 0.00 57.45 59.36 3a8k n PHE 173 Cb 0.48 -5.02 -0.12 0.00 -0.01 0.00 0.00 39.48 34.81 3a8k n PHE 173 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 3a8k s PHE 174 N -3.39 1.07 -0.01 1.38 0.08 -1.23 -1.31 117.98 114.57 3a8k s PHE 174 Ca 0.01 -0.51 0.02 0.00 0.12 0.00 0.00 56.93 56.57 3a8k s PHE 174 Cb -0.00 -0.60 -0.00 0.00 -0.57 0.00 0.00 43.02 41.84 3a8k s PHE 174 CO 0.74 0.02 -0.08 0.20 -0.10 0.00 0.00 175.22 176.00 3a8k s GLY 175 N -1.88 0.39 -0.03 4.36 0.00 0.20 -1.06 107.32 109.30 3a8k s GLY 175 Ca -0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 44.72 44.36 3a8k s GLY 175 CO 0.01 -0.22 0.09 0.54 0.00 0.00 0.00 173.10 173.53 3a8k s VAL 176 N -0.08 0.01 -0.10 1.40 0.11 0.08 -4.37 120.40 117.43 3a8k s VAL 176 Ca 0.02 -0.05 -0.20 0.00 -2.93 0.00 0.00 61.98 58.82 3a8k s VAL 176 Cb -0.04 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.61 3a8k s VAL 176 CO -0.00 -0.03 0.55 -1.58 -3.33 0.00 0.00 175.10 170.72 3a8k s GLN 177 N -0.03 4.37 -0.27 1.54 2.00 -1.26 -0.75 119.66 125.25 3a8k s GLN 177 Ca -0.01 0.59 -0.03 0.00 -2.00 0.00 0.00 55.36 53.91 3a8k s GLN 177 Cb -0.01 -3.45 0.11 0.00 0.80 0.00 0.00 33.01 30.46 3a8k s GLN 177 CO 0.00 0.11 0.19 0.00 -0.50 0.00 0.00 175.29 175.09 3a8k s ALA 178 N 0.73 0.15 0.00 1.58 0.00 0.59 -5.00 121.76 119.81 3a8k s ALA 178 Ca 0.30 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.66 3a8k s ALA 178 Cb -0.16 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.49 3a8k s ALA 178 CO 0.13 -1.56 0.00 0.41 0.00 0.00 0.00 175.76 174.74 3a8k n GLY 179 N 5.28 3.02 0.31 0.00 0.00 -1.26 -2.44 105.19 110.10 3a8k n GLY 179 Ca -0.05 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 45.80 3a8k n GLY 179 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3a8k n ASP 180 N 3.08 0.94 -4.66 1.61 8.00 -1.26 -4.79 116.55 119.47 3a8k n ASP 180 Ca 0.00 -1.44 -0.35 0.00 0.71 0.00 0.00 54.79 53.71 3a8k n ASP 180 Cb 0.00 -0.03 -0.09 0.00 -0.02 0.00 0.00 41.12 40.97 3a8k n ASP 180 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3a8k s LEU 181 N -1.79 3.79 -0.30 0.64 1.43 -1.02 -4.24 118.68 117.19 3a8k s LEU 181 Ca 0.36 0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 53.48 3a8k s LEU 181 Cb 0.19 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 3a8k s LEU 181 CO 0.30 0.23 0.15 0.12 0.23 0.00 0.00 176.35 177.38 3a8k s PHE 182 N 0.01 3.17 -0.18 0.29 5.36 0.09 -0.30 117.98 126.42 3a8k s PHE 182 Ca 0.05 -0.47 -0.00 0.00 -0.96 0.00 0.00 56.93 55.55 3a8k s PHE 182 Cb -0.12 -2.35 0.01 0.00 -0.34 0.00 0.00 43.02 40.22 3a8k s PHE 182 CO 0.01 -0.41 -0.16 0.42 -1.46 0.00 0.00 175.22 173.62 3a8k s ILE 183 N 1.63 2.43 -0.03 3.12 1.01 0.07 -0.95 121.20 128.49 3a8k s ILE 183 Ca 0.05 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 59.93 3a8k s ILE 183 Cb -0.17 -2.04 -0.01 0.00 0.01 0.00 0.00 42.46 40.25 3a8k s ILE 183 CO 0.07 0.51 -0.16 0.00 0.00 0.00 0.00 174.94 175.36 3a8k s ALA 184 N 1.26 1.40 -1.29 9.38 0.00 -0.32 -0.74 121.76 131.44 3a8k s ALA 184 Ca 0.03 -0.65 -0.14 0.00 0.00 0.00 0.00 51.96 51.20 3a8k s ALA 184 Cb -0.14 -0.43 0.12 0.00 0.00 0.00 0.00 23.12 22.67 3a8k s ALA 184 CO -0.09 0.28 1.75 0.25 0.00 0.00 0.00 175.76 177.95 3a8k n THR 185 N 3.01 4.06 -4.25 0.00 -2.24 -0.22 -0.69 114.28 113.95 3a8k n THR 185 Ca -0.17 -4.20 -0.14 0.00 -2.27 0.00 0.00 64.05 57.28 3a8k n THR 185 Cb 0.53 -2.43 -0.10 0.00 -2.10 0.00 0.00 70.33 66.23 3a8k n THR 185 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3a8k s THR 186 N 2.32 0.66 -0.03 4.28 -4.23 -1.26 0.09 115.64 117.46 3a8k s THR 186 Ca 0.46 -1.98 -0.30 0.00 -1.18 0.00 0.00 61.69 58.69 3a8k s THR 186 Cb 0.05 -2.17 0.11 0.00 1.34 0.00 0.00 72.50 71.83 3a8k s THR 186 CO 0.01 -0.43 1.31 -0.83 -0.54 0.00 0.00 174.62 174.15 3a8k s GLY 187 N -3.19 -0.28 -0.19 3.99 0.00 -1.26 -3.85 107.32 102.53 3a8k s GLY 187 Ca 0.25 0.40 0.12 0.00 0.00 0.00 0.00 44.72 45.50 3a8k s GLY 187 CO 0.05 3.05 1.21 2.98 0.00 0.00 0.00 173.10 180.39 3a8k n TYR 188 N -0.71 0.00 0.00 1.90 9.36 -1.26 -4.79 117.16 121.66 3a8k n TYR 188 Ca -0.02 -1.40 0.00 0.00 3.32 0.00 0.00 57.90 59.80 3a8k n TYR 188 Cb 0.61 -0.24 0.00 0.00 -0.63 0.00 0.00 39.34 39.08 3a8k n TYR 188 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 3a8k n THR 189 N -1.05 0.00 -0.99 2.97 -2.24 -1.26 -3.32 114.28 108.39 3a8k n THR 189 Ca 0.18 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3a8k n THR 189 Cb 0.71 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 3a8k n THR 189 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a8k n GLY 190 N 1.20 0.65 3.80 3.38 0.00 -1.26 -4.61 105.19 108.34 3a8k n GLY 190 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3a8k n GLY 190 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a8k s GLU 191 N -0.05 2.44 1.12 1.61 0.41 -1.26 -4.60 118.70 118.36 3a8k s GLU 191 Ca 0.00 -1.58 -0.16 0.00 -0.41 0.00 0.00 54.97 52.82 3a8k s GLU 191 Cb 0.00 -2.24 0.25 0.00 -1.78 0.00 0.00 34.13 30.36 3a8k s GLU 191 CO 0.00 -0.04 1.09 0.00 -0.49 0.00 0.00 175.26 175.83 3a8k s ALA 192 N -2.46 0.65 0.00 5.21 0.00 -1.26 -4.74 121.76 119.15 3a8k s ALA 192 Ca 0.42 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.72 3a8k s ALA 192 Cb -0.02 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.10 3a8k s ALA 192 CO 0.25 -3.32 0.00 0.41 0.00 0.00 0.00 175.76 173.10 3a8k n GLY 193 N -0.88 0.61 3.26 0.00 0.00 -1.26 -0.65 105.19 106.28 3a8k n GLY 193 Ca 0.09 -1.65 -0.21 0.00 0.00 0.00 0.00 46.02 44.25 3a8k n GLY 193 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a8k s TYR 194 N -1.52 1.59 -0.13 1.61 2.02 0.13 -4.09 117.35 116.97 3a8k s TYR 194 Ca 0.00 -0.47 0.00 0.00 -0.37 0.00 0.00 57.07 56.24 3a8k s TYR 194 Cb 0.00 -0.85 -0.01 0.00 -0.40 0.00 0.00 41.96 40.70 3a8k s TYR 194 CO 0.00 0.18 -0.14 -1.21 -1.57 0.00 0.00 175.55 172.82 3a8k s GLU 195 N -2.20 3.36 -0.16 -0.62 2.02 0.13 0.34 118.70 121.56 3a8k s GLU 195 Ca 0.07 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.36 3a8k s GLU 195 Cb -0.08 -2.61 0.03 0.00 0.10 0.00 0.00 34.13 31.57 3a8k s GLU 195 CO 0.04 0.21 -0.12 0.42 0.02 0.00 0.00 175.26 175.83 3a8k s ILE 196 N 0.34 1.52 -0.07 -1.63 1.01 -0.02 -1.18 121.20 121.17 3a8k s ILE 196 Ca -0.12 -0.71 -0.05 0.00 0.00 0.00 0.00 60.65 59.78 3a8k s ILE 196 Cb -0.16 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 3a8k s ILE 196 CO 0.06 0.35 0.15 0.00 0.00 0.00 0.00 174.94 175.50 3a8k s ALA 197 N 1.49 3.86 0.22 9.38 0.00 -0.12 -1.23 121.76 135.36 3a8k s ALA 197 Ca 0.03 -0.71 -0.22 0.00 0.00 0.00 0.00 51.96 51.06 3a8k s ALA 197 Cb -0.14 -1.89 0.04 0.00 0.00 0.00 0.00 23.12 21.14 3a8k s ALA 197 CO -0.10 0.67 0.68 -0.48 0.00 0.00 0.00 175.76 176.53 3a8k s LEU 198 N -1.40 -0.39 0.48 0.00 2.34 -0.47 -0.73 118.68 118.50 3a8k s LEU 198 Ca 0.20 -0.33 -0.24 0.00 0.06 0.00 0.00 54.13 53.82 3a8k s LEU 198 Cb -0.12 2.65 -0.08 0.00 -0.56 0.00 0.00 46.19 48.08 3a8k s LEU 198 CO 0.10 -1.16 1.30 -2.65 -1.06 0.00 0.00 176.35 172.88 3a8k n PRO 199 N -0.42 1.85 -0.34 1.48 -0.02 -1.26 -0.18 135.00 136.11 3a8k n PRO 199 Ca -0.10 0.67 0.16 0.00 -2.02 0.00 0.00 63.50 62.21 3a8k n PRO 199 Cb 0.62 -2.47 0.36 0.00 -0.02 0.00 0.00 33.50 31.99 3a8k n PRO 199 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3a8k h ASN 200 N 1.83 0.64 0.56 2.55 2.35 -1.58 -1.12 115.58 120.81 3a8k h ASN 200 Ca -0.49 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 3a8k h ASN 200 Cb 1.30 0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.70 3a8k h ASN 200 CO 0.59 0.12 0.00 -1.84 -1.65 0.00 0.00 177.43 174.65 3a8k n GLU 201 N -4.89 0.10 -0.00 0.81 0.00 -1.26 -2.50 120.64 112.91 3a8k n GLU 201 Ca 0.25 0.36 0.08 0.00 0.00 0.00 0.00 57.16 57.86 3a8k n GLU 201 Cb 0.69 -1.70 -0.10 0.00 0.00 0.00 0.00 31.44 30.33 3a8k n GLU 201 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3a8k n LYS 202 N -1.90 1.26 -0.16 3.44 5.02 -0.44 -4.69 118.16 120.69 3a8k n LYS 202 Ca 0.02 -0.02 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 3a8k n LYS 202 Cb 0.18 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 3a8k n LYS 202 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3a8k h ALA 203 N 2.28 0.63 -0.94 7.82 0.00 -1.31 -1.89 119.26 125.86 3a8k h ALA 203 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3a8k h ALA 203 Cb 0.46 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3a8k h ALA 203 CO 0.00 0.38 0.56 0.00 0.00 0.00 0.00 179.25 180.19 3a8k h ALA 204 N 0.95 1.22 -0.49 0.00 0.00 -1.84 -0.52 119.26 118.58 3a8k h ALA 204 Ca 0.14 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3a8k h ALA 204 Cb 0.42 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3a8k h ALA 204 CO 0.01 0.66 0.07 -0.44 0.00 0.00 0.00 179.25 179.56 3a8k h ASP 205 N 1.30 0.79 -0.52 0.00 3.32 -1.78 0.20 116.42 119.73 3a8k h ASP 205 Ca 0.34 -0.26 -0.11 0.00 0.02 0.00 0.00 57.03 57.01 3a8k h ASP 205 Cb -0.05 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3a8k h ASP 205 CO -0.06 0.86 -0.09 0.15 -1.72 0.00 0.00 179.24 178.38 3a8k h PHE 206 N 0.70 1.11 0.19 4.55 3.57 -1.07 -0.69 116.94 125.30 3a8k h PHE 206 Ca 0.15 -0.22 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 3a8k h PHE 206 Cb 0.41 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 3a8k h PHE 206 CO 0.03 1.02 -0.11 2.35 -2.23 0.00 0.00 178.31 179.38 3a8k h TRP 207 N 0.90 -0.28 -0.59 0.41 2.91 -0.73 0.43 115.95 119.00 3a8k h TRP 207 Ca 0.14 -0.00 0.12 0.00 1.13 0.00 0.00 58.89 60.28 3a8k h TRP 207 Cb 0.64 0.10 -0.09 0.00 -0.51 0.00 0.00 29.16 29.29 3a8k h TRP 207 CO 0.04 -0.17 0.04 0.00 -1.03 0.00 0.00 178.44 177.33 3a8k h ARG 208 N -0.28 0.16 -0.46 2.65 3.08 -0.40 -1.34 114.38 117.79 3a8k h ARG 208 Ca -0.02 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.06 3a8k h ARG 208 Cb 0.23 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 3a8k h ARG 208 CO 0.03 0.10 0.23 0.00 -1.07 0.00 0.00 179.97 179.26 3a8k h ALA 209 N 1.51 0.58 -0.72 0.04 0.00 -0.76 -2.21 119.26 117.71 3a8k h ALA 209 Ca 0.31 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 3a8k h ALA 209 Cb 0.48 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3a8k h ALA 209 CO -0.46 -0.13 0.40 -0.07 0.00 0.00 0.00 179.25 178.99 3a8k h LEU 210 N 0.45 0.89 0.16 0.00 3.38 -0.41 -0.82 115.31 118.97 3a8k h LEU 210 Ca 0.20 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3a8k h LEU 210 Cb 0.11 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3a8k h LEU 210 CO -0.14 0.72 -0.08 0.58 0.09 0.00 0.00 178.44 179.61 3a8k h VAL 211 N 0.99 0.85 -1.00 1.22 2.07 -1.02 -1.82 116.25 117.55 3a8k h VAL 211 Ca 0.25 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.82 3a8k h VAL 211 Cb 0.02 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 3a8k h VAL 211 CO -0.04 0.01 0.65 -0.08 0.02 0.00 0.00 177.57 178.12 3a8k h GLU 212 N -0.22 1.15 0.00 1.57 4.22 -1.26 -1.45 114.58 118.60 3a8k h GLU 212 Ca -0.02 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.35 3a8k h GLU 212 Cb 0.17 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3a8k h GLU 212 CO 0.04 0.76 0.00 0.00 -2.18 0.00 0.00 179.01 177.63 3a8k n ALA 213 N -2.37 2.18 -0.23 2.92 0.00 -0.32 -4.83 120.51 117.85 3a8k n ALA 213 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3a8k n ALA 213 Cb 0.17 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.38 3a8k n ALA 213 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a8k n GLY 214 N 0.16 1.04 3.50 0.00 0.00 -0.54 -4.92 105.19 104.42 3a8k n GLY 214 Ca 0.11 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 3a8k n GLY 214 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a8k s VAL 215 N -2.00 4.98 0.06 1.61 1.01 -0.71 -4.65 120.40 120.70 3a8k s VAL 215 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 3a8k s VAL 215 Cb 0.00 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 3a8k s VAL 215 CO 0.00 0.06 1.10 -0.75 0.00 0.00 0.00 175.10 175.51 3a8k s LYS 216 N 1.68 4.51 0.17 2.72 2.20 -0.55 -4.06 119.74 126.41 3a8k s LYS 216 Ca 0.06 1.64 -0.32 0.00 -0.36 0.00 0.00 55.97 56.99 3a8k s LYS 216 Cb -0.17 -3.37 -0.10 0.00 -1.51 0.00 0.00 37.83 32.67 3a8k s LYS 216 CO 0.09 -0.11 1.61 -2.14 -0.36 0.00 0.00 175.35 174.43 3a8k s PRO 217 N 0.76 4.19 0.02 4.03 0.02 -1.26 0.35 135.00 143.11 3a8k s PRO 217 Ca 0.54 2.41 0.06 0.00 0.02 0.00 0.00 61.00 64.04 3a8k s PRO 217 Cb -0.27 -3.17 -0.02 0.00 0.02 0.00 0.00 34.50 31.07 3a8k s PRO 217 CO 0.30 -0.65 -0.17 0.00 -0.33 0.00 0.00 177.00 176.15 3a8k n GLY 219 N 2.18 2.09 0.36 0.00 0.00 -1.26 -4.45 105.19 104.11 3a8k n GLY 219 Ca -0.16 -2.23 0.17 0.00 0.00 0.00 0.00 46.02 43.79 3a8k n GLY 219 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a8k h LEU 220 N 0.00 0.09 0.86 0.99 3.38 -0.48 -1.98 115.31 118.17 3a8k h LEU 220 Ca -0.27 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 3a8k h LEU 220 Cb 1.18 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.93 3a8k h LEU 220 CO 0.39 0.05 -0.41 1.23 0.09 0.00 0.00 178.44 179.79 3a8k h GLY 221 N 0.10 -1.20 1.40 0.83 0.00 -1.14 0.10 103.07 103.17 3a8k h GLY 221 Ca 0.23 0.45 -0.04 0.00 0.00 0.00 0.00 47.33 47.97 3a8k h GLY 221 CO -0.02 -0.44 0.18 0.00 0.00 0.00 0.00 176.54 176.26 3a8k h ALA 222 N -1.00 1.33 -0.48 3.60 0.00 -1.75 -2.16 119.26 118.81 3a8k h ALA 222 Ca -0.12 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.65 3a8k h ALA 222 Cb 0.88 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3a8k h ALA 222 CO 0.19 0.49 0.29 -0.09 0.00 0.00 0.00 179.25 180.13 3a8k h ARG 223 N 0.75 0.57 -0.28 0.00 2.43 -0.94 -0.18 114.38 116.73 3a8k h ARG 223 Ca 0.18 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3a8k h ARG 223 Cb 0.20 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3a8k h ARG 223 CO -0.01 0.38 0.09 0.22 -1.51 0.00 0.00 179.97 179.13 3a8k h ASP 224 N 0.58 0.41 -0.59 -3.80 3.58 -0.44 -1.88 116.42 114.28 3a8k h ASP 224 Ca 0.19 -0.20 0.02 0.00 0.42 0.00 0.00 57.03 57.46 3a8k h ASP 224 Cb -0.01 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 40.90 3a8k h ASP 224 CO -0.07 0.51 0.37 0.74 -2.88 0.00 0.00 179.24 177.90 3a8k h THR 225 N 0.30 1.09 -0.47 2.25 2.02 -0.97 -1.72 112.91 115.40 3a8k h THR 225 Ca 0.09 -0.25 -0.05 0.00 0.77 0.00 0.00 66.41 66.97 3a8k h THR 225 Cb 0.24 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 3a8k h THR 225 CO -0.00 0.13 0.11 -0.07 0.37 0.00 0.00 175.52 176.06 3a8k h LEU 226 N 0.73 0.72 -0.73 2.58 3.38 -1.00 -0.94 115.31 120.04 3a8k h LEU 226 Ca 0.23 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 3a8k h LEU 226 Cb -0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3a8k h LEU 226 CO -0.09 0.77 -0.46 0.08 0.09 0.00 0.00 178.44 178.83 3a8k h ARG 227 N 0.63 0.41 -0.26 1.13 -0.00 -1.21 -1.90 114.38 113.18 3a8k h ARG 227 Ca 0.15 -0.22 -0.08 0.00 -0.00 0.00 0.00 59.98 59.82 3a8k h ARG 227 Cb 0.34 0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 30.31 3a8k h ARG 227 CO 0.00 0.79 -0.14 1.25 -0.00 0.00 0.00 179.97 181.87 3a8k h LEU 228 N 0.33 0.58 -1.34 0.08 5.85 -1.11 -1.51 115.31 118.19 3a8k h LEU 228 Ca 0.02 -0.42 0.17 0.00 0.84 0.00 0.00 57.88 58.50 3a8k h LEU 228 Cb 0.94 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.74 3a8k h LEU 228 CO 0.08 0.87 0.58 -0.33 -0.34 0.00 0.00 178.44 179.30 3a8k h GLU 229 N 0.29 0.57 -0.00 1.25 5.08 -1.18 0.14 114.58 120.72 3a8k h GLU 229 Ca 0.06 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3a8k h GLU 229 Cb 0.66 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3a8k h GLU 229 CO 0.04 0.38 -0.01 0.00 -1.00 0.00 0.00 179.01 178.42 3a8k n ALA 230 N -2.45 2.66 -1.42 3.43 0.00 -0.66 -1.26 120.51 120.80 3a8k n ALA 230 Ca 0.19 -0.24 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 3a8k n ALA 230 Cb 0.57 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 3a8k n ALA 230 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a8k n GLY 231 N 1.09 0.59 3.88 0.00 0.00 0.47 -4.74 105.19 106.48 3a8k n GLY 231 Ca 0.21 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 3a8k n GLY 231 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3a8k s MET 232 N -2.94 3.43 0.46 1.61 -1.94 -0.76 -4.83 119.30 114.34 3a8k s MET 232 Ca 0.00 -0.15 -0.22 0.00 -1.71 0.00 0.00 55.69 53.61 3a8k s MET 232 Cb 0.00 -3.18 -0.08 0.00 2.01 0.00 0.00 34.83 33.59 3a8k s MET 232 CO 0.00 0.77 1.12 -0.80 -0.01 0.00 0.00 175.02 176.10 3a8k s ASN 233 N -1.08 6.25 -0.23 3.03 0.01 -1.26 -4.56 114.94 117.10 3a8k s ASN 233 Ca 0.16 2.18 -0.05 0.00 -0.71 0.00 0.00 52.86 54.44 3a8k s ASN 233 Cb -0.12 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 38.93 3a8k s ASN 233 CO 0.05 -0.86 -0.01 -0.22 -1.51 0.00 0.00 177.10 174.55 3a8k s LEU 234 N -3.12 3.06 0.26 0.60 2.96 -1.26 -5.01 118.68 116.18 3a8k s LEU 234 Ca 0.64 -0.33 -0.30 0.00 -0.22 0.00 0.00 54.13 53.92 3a8k s LEU 234 Cb -0.25 -1.79 -0.13 0.00 0.50 0.00 0.00 46.19 44.51 3a8k s LEU 234 CO 0.30 -0.02 1.31 0.00 -1.32 0.00 0.00 176.35 176.62 3a8k n TYR 235 N 4.80 2.00 0.00 5.38 9.36 -1.26 -1.44 117.16 135.99 3a8k n TYR 235 Ca -0.18 0.52 0.00 0.00 3.32 0.00 0.00 57.90 61.56 3a8k n TYR 235 Cb 0.51 -2.41 0.00 0.00 -0.63 0.00 0.00 39.34 36.81 3a8k n TYR 235 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3a8k n GLY 236 N 1.73 3.37 0.74 2.98 0.00 0.21 -4.83 105.19 109.38 3a8k n GLY 236 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 3a8k n GLY 236 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3a8k n GLN 237 N -1.54 0.09 0.21 1.61 6.02 -0.52 -4.73 117.38 118.51 3a8k n GLN 237 Ca 0.00 0.04 0.08 0.00 -0.01 0.00 0.00 57.00 57.10 3a8k n GLN 237 Cb 0.00 -0.50 0.45 0.00 1.02 0.00 0.00 30.24 31.21 3a8k n GLN 237 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3a8k h GLU 238 N -0.17 0.00 -2.82 -1.09 3.07 -1.55 -3.45 114.58 108.57 3a8k h GLU 238 Ca 0.00 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.89 3a8k h GLU 238 Cb 0.17 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 27.96 3a8k h GLU 238 CO 0.00 0.28 0.28 0.00 -1.40 0.00 0.00 179.01 178.18 3a8k s MET 239 N -3.79 1.27 0.00 2.33 0.23 -1.26 -4.64 119.30 113.44 3a8k s MET 239 Ca -0.01 -0.53 0.00 0.00 -1.03 0.00 0.00 55.69 54.12 3a8k s MET 239 Cb 0.11 0.54 0.00 0.00 -1.53 0.00 0.00 34.83 33.96 3a8k s MET 239 CO 0.66 -0.56 0.00 -0.40 -2.03 0.00 0.00 175.02 172.68 3a8k n ASP 240 N -0.37 0.00 0.18 -1.18 5.68 -1.26 0.63 116.55 120.23 3a8k n ASP 240 Ca -0.13 -0.11 0.13 0.00 -0.50 0.00 0.00 54.79 54.18 3a8k n ASP 240 Cb 0.63 0.00 0.65 0.00 -1.14 0.00 0.00 41.12 41.26 3a8k n ASP 240 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3a8k h GLU 241 N 0.00 0.00 -0.02 0.11 3.07 -1.73 -0.67 114.58 115.35 3a8k h GLU 241 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3a8k h GLU 241 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3a8k h GLU 241 CO 0.00 0.00 -0.31 0.25 -1.40 0.00 0.00 179.01 177.55 3a8k n THR 242 N -2.42 0.00 -4.74 1.13 -2.24 -1.26 -4.23 114.28 100.52 3a8k n THR 242 Ca -0.00 -0.28 -0.33 0.00 -2.27 0.00 0.00 64.05 61.16 3a8k n THR 242 Cb 0.12 1.10 -0.15 0.00 -2.10 0.00 0.00 70.33 69.30 3a8k n THR 242 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3a8k s ILE 243 N -2.36 2.59 0.41 2.28 -1.09 -0.36 -4.97 121.20 117.70 3a8k s ILE 243 Ca 0.23 -0.81 -0.25 0.00 -2.23 0.00 0.00 60.65 57.59 3a8k s ILE 243 Cb 0.19 -2.07 -0.08 0.00 -1.58 0.00 0.00 42.46 38.92 3a8k s ILE 243 CO 0.49 0.53 1.17 -0.55 -1.23 0.00 0.00 174.94 175.35 3a8k s SER 244 N 0.61 6.45 0.55 3.58 0.15 -1.26 -2.63 113.70 121.15 3a8k s SER 244 Ca -0.10 2.35 0.23 0.00 0.70 0.00 0.00 55.95 59.13 3a8k s SER 244 Cb -0.16 -2.61 1.48 0.00 -1.71 0.00 0.00 66.02 63.02 3a8k s SER 244 CO 0.03 -0.72 2.13 1.55 1.20 0.00 0.00 173.24 177.42 3a8k h PRO 245 N 2.53 0.00 -0.22 5.44 0.13 -1.94 -1.16 132.00 136.78 3a8k h PRO 245 Ca -0.49 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.65 3a8k h PRO 245 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 3a8k h PRO 245 CO 0.62 0.00 0.15 -0.07 -0.23 0.00 0.00 178.00 178.47 3a8k h LEU 246 N 0.00 0.24 -1.22 1.56 3.38 -1.91 -0.55 115.31 116.80 3a8k h LEU 246 Ca 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3a8k h LEU 246 Cb 0.32 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3a8k h LEU 246 CO -0.00 0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.70 3a8k n ALA 247 N -2.51 2.45 -1.93 1.53 0.00 -0.44 -4.21 120.51 115.40 3a8k n ALA 247 Ca 0.00 -0.58 0.04 0.00 0.00 0.00 0.00 53.44 52.90 3a8k n ALA 247 Cb 0.09 -0.98 0.06 0.00 0.00 0.00 0.00 19.45 18.62 3a8k n ALA 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a8k n ALA 248 N 0.47 2.40 -3.31 0.00 0.00 -0.79 -3.70 120.51 115.58 3a8k n ALA 248 Ca 0.11 -2.05 -0.22 0.00 0.00 0.00 0.00 53.44 51.28 3a8k n ALA 248 Cb 0.28 -0.53 0.06 0.00 0.00 0.00 0.00 19.45 19.26 3a8k n ALA 248 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3a8k n ASN 249 N -0.27 -6.12 -0.58 0.00 5.15 -1.20 -4.87 115.26 107.37 3a8k n ASN 249 Ca 0.08 -0.41 0.05 0.00 -0.60 0.00 0.00 54.58 53.70 3a8k n ASN 249 Cb 0.82 -4.83 0.12 0.00 -0.53 0.00 0.00 39.78 35.36 3a8k n ASN 249 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 3a8k n MET 250 N -4.43 2.23 0.05 1.20 2.81 -0.28 -4.62 117.12 114.07 3a8k n MET 250 Ca -0.04 -1.80 0.09 0.00 -1.81 0.00 0.00 57.70 54.14 3a8k n MET 250 Cb 0.58 -1.25 0.54 0.00 -0.71 0.00 0.00 33.22 32.38 3a8k n MET 250 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3a8k h GLY 251 N 2.03 0.34 2.00 3.03 0.00 -1.84 -1.14 103.07 107.49 3a8k h GLY 251 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3a8k h GLY 251 CO 0.00 0.09 0.00 -2.67 0.00 0.00 0.00 176.54 173.96 3a8k n TRP 252 N -4.48 0.85 1.29 5.60 4.27 -1.26 -1.83 117.44 121.88 3a8k n TRP 252 Ca 0.04 0.34 0.13 0.00 -3.89 0.00 0.00 57.50 54.12 3a8k n TRP 252 Cb 0.22 -1.05 0.35 0.00 -1.36 0.00 0.00 31.31 29.47 3a8k n TRP 252 CO 0.00 0.00 0.00 0.25 -2.29 0.00 0.00 177.69 175.65 3a8k n THR 253 N -2.28 0.00 -3.18 -1.67 -2.24 -0.43 -4.88 114.28 99.59 3a8k n THR 253 Ca 0.02 -0.35 -0.40 0.00 -2.27 0.00 0.00 64.05 61.05 3a8k n THR 253 Cb 0.22 0.91 -0.07 0.00 -2.10 0.00 0.00 70.33 69.29 3a8k n THR 253 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3a8k s ILE 254 N -2.00 5.05 -1.04 2.28 -1.09 -0.76 -2.97 121.20 120.66 3a8k s ILE 254 Ca 0.34 1.02 -0.14 0.00 -2.23 0.00 0.00 60.65 59.64 3a8k s ILE 254 Cb 0.21 -3.88 0.19 0.00 -1.58 0.00 0.00 42.46 37.39 3a8k s ILE 254 CO 0.32 0.10 1.17 0.00 -1.23 0.00 0.00 174.94 175.30 3a8k s ALA 255 N 2.11 3.98 0.12 9.38 0.00 -0.76 -4.89 121.76 131.70 3a8k s ALA 255 Ca 0.25 -3.28 -0.17 0.00 0.00 0.00 0.00 51.96 48.76 3a8k s ALA 255 Cb -0.16 -3.89 -0.03 0.00 0.00 0.00 0.00 23.12 19.04 3a8k s ALA 255 CO 0.09 -2.64 1.66 -1.49 0.00 0.00 0.00 175.76 173.39 3a8k h TRP 256 N 7.65 0.53 -2.88 0.00 4.06 -1.94 -3.42 115.95 119.94 3a8k h TRP 256 Ca 0.21 -0.04 -0.63 0.00 2.06 0.00 0.00 58.89 60.48 3a8k h TRP 256 Cb 0.95 -0.16 -0.06 0.00 -1.00 0.00 0.00 29.16 28.89 3a8k h TRP 256 CO 1.04 0.50 -0.31 -1.21 -3.56 0.00 0.00 178.44 174.90 3a8k s GLU 257 N -5.52 3.72 0.36 0.49 0.41 -1.26 -3.49 118.70 113.41 3a8k s GLU 257 Ca -0.13 0.18 -0.26 0.00 -0.41 0.00 0.00 54.97 54.35 3a8k s GLU 257 Cb 0.09 -3.19 -0.09 0.00 -1.78 0.00 0.00 34.13 29.16 3a8k s GLU 257 CO 0.74 0.71 1.02 -1.25 -0.49 0.00 0.00 175.26 176.00 3a8k s PRO 258 N -1.17 4.37 0.39 0.39 0.04 -1.26 -5.05 135.00 132.72 3a8k s PRO 258 Ca 0.22 1.50 0.14 0.00 0.04 0.00 0.00 61.00 62.90 3a8k s PRO 258 Cb -0.15 -2.73 0.81 0.00 0.04 0.00 0.00 34.50 32.48 3a8k s PRO 258 CO 0.11 0.05 1.87 0.00 0.04 0.00 0.00 177.00 179.07 3a8k h ALA 259 N 2.92 1.43 0.00 8.56 0.00 -1.93 -2.57 119.26 127.67 3a8k h ALA 259 Ca -0.48 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.14 3a8k h ALA 259 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3a8k h ALA 259 CO 0.64 0.40 0.00 -0.40 0.00 0.00 0.00 179.25 179.89 3a8k n ASP 260 N -4.10 0.00 -4.45 0.00 5.75 -1.26 -4.62 116.55 107.87 3a8k n ASP 260 Ca -0.02 -1.53 -0.43 0.00 -0.01 0.00 0.00 54.79 52.79 3a8k n ASP 260 Cb 0.37 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.41 3a8k n ASP 260 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 3a8k s ARG 261 N -2.00 3.16 0.30 0.11 3.52 -0.97 -5.03 118.95 118.04 3a8k s ARG 261 Ca 0.18 -0.79 -0.29 0.00 -0.13 0.00 0.00 55.73 54.70 3a8k s ARG 261 Cb 0.08 -4.15 -0.09 0.00 -1.56 0.00 0.00 34.95 29.22 3a8k s ARG 261 CO 0.14 -1.52 1.10 0.34 -0.81 0.00 0.00 175.30 174.55 3a8k s ASP 262 N 3.18 7.19 0.04 -2.12 2.15 -1.26 -5.02 116.67 120.84 3a8k s ASP 262 Ca 0.20 2.25 -0.07 0.00 0.43 0.00 0.00 52.55 55.36 3a8k s ASP 262 Cb -0.18 -2.62 -0.00 0.00 -0.30 0.00 0.00 42.92 39.82 3a8k s ASP 262 CO 0.12 -0.19 0.14 0.72 -0.17 0.00 0.00 175.17 175.79 3a8k s PHE 263 N -1.22 0.14 0.02 -5.34 -0.12 -1.26 -4.08 117.98 106.13 3a8k s PHE 263 Ca 0.46 -0.42 -0.30 0.00 -0.05 0.00 0.00 56.93 56.62 3a8k s PHE 263 Cb -0.31 -0.09 -0.07 0.00 -0.63 0.00 0.00 43.02 41.92 3a8k s PHE 263 CO 0.40 -0.40 1.52 0.42 -0.05 0.00 0.00 175.22 177.10 3a8k s ILE 264 N -2.67 3.43 0.00 -4.49 1.01 -0.23 -1.58 121.20 116.67 3a8k s ILE 264 Ca -0.04 0.83 0.00 0.00 0.00 0.00 0.00 60.65 61.44 3a8k s ILE 264 Cb -0.01 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.93 3a8k s ILE 264 CO -0.05 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.50 3a8k n GLY 265 N 3.81 0.28 0.14 6.18 0.00 -1.24 -4.44 105.19 109.92 3a8k n GLY 265 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 3a8k n GLY 265 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3a8k h ARG 266 N 3.88 0.38 -0.54 1.61 2.43 -1.63 -0.65 114.38 119.86 3a8k h ARG 266 Ca 0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3a8k h ARG 266 Cb 0.00 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 3a8k h ARG 266 CO 0.00 0.25 0.27 1.49 -1.51 0.00 0.00 179.97 180.47 3a8k h GLU 267 N 0.39 0.77 0.01 0.20 4.81 -1.91 0.41 114.58 119.27 3a8k h GLU 267 Ca 0.11 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3a8k h GLU 267 Cb -0.04 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 3a8k h GLU 267 CO -0.03 0.62 -0.02 0.00 -0.73 0.00 0.00 179.01 178.86 3a8k h ALA 268 N 1.11 -0.03 -0.77 2.92 0.00 -1.72 -2.54 119.26 118.22 3a8k h ALA 268 Ca 0.19 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3a8k h ALA 268 Cb 0.09 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3a8k h ALA 268 CO -0.03 -0.52 0.49 -0.07 0.00 0.00 0.00 179.25 179.12 3a8k h LEU 269 N -0.04 0.80 -0.40 0.00 4.07 -0.74 -2.03 115.31 116.97 3a8k h LEU 269 Ca 0.00 0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.02 3a8k h LEU 269 Cb 0.04 -0.17 -0.05 0.00 1.08 0.00 0.00 40.66 41.56 3a8k h LEU 269 CO -0.01 0.55 0.11 -0.33 -1.08 0.00 0.00 178.44 177.68 3a8k h GLU 270 N 0.95 0.25 -0.77 1.13 4.39 0.06 -0.20 114.58 120.40 3a8k h GLU 270 Ca 0.31 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 60.02 3a8k h GLU 270 Cb 0.03 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 3a8k h GLU 270 CO -0.12 0.17 0.50 0.28 -1.16 0.00 0.00 179.01 178.67 3a8k h VAL 271 N 0.26 1.15 -0.12 3.13 2.07 -1.20 -1.81 116.25 119.73 3a8k h VAL 271 Ca 0.19 -0.34 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 3a8k h VAL 271 Cb 0.20 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 3a8k h VAL 271 CO -0.22 0.18 -0.28 1.56 0.02 0.00 0.00 177.57 178.83 3a8k h GLN 272 N 0.99 0.22 -0.20 1.57 4.20 -0.83 -2.17 115.11 118.89 3a8k h GLN 272 Ca 0.29 -0.07 -0.14 0.00 0.06 0.00 0.00 58.65 58.79 3a8k h GLN 272 Cb -0.05 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.71 3a8k h GLN 272 CO -0.09 0.48 -0.42 -0.09 -0.67 0.00 0.00 178.83 178.04 3a8k h ARG 273 N 0.19 0.65 -0.72 1.46 2.43 -0.52 0.26 114.38 118.14 3a8k h ARG 273 Ca 0.03 -0.42 -0.06 0.00 -0.81 0.00 0.00 59.98 58.71 3a8k h ARG 273 Cb 0.60 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.18 3a8k h ARG 273 CO 0.04 1.04 0.21 1.49 -1.51 0.00 0.00 179.97 181.24 3a8k h GLU 274 N 0.34 1.13 0.00 0.20 4.81 -1.22 -3.27 114.58 116.57 3a8k h GLU 274 Ca 0.00 -0.25 -0.14 0.00 -0.13 0.00 0.00 59.36 58.84 3a8k h GLU 274 Cb 1.03 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 3a8k h GLU 274 CO 0.09 0.98 -1.66 0.72 -0.73 0.00 0.00 179.01 178.41 3a8k n HIS 275 N -4.26 0.59 0.00 0.92 8.25 -0.83 -5.09 115.22 114.81 3a8k n HIS 275 Ca 0.06 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 3a8k n HIS 275 Cb 0.24 -0.92 0.00 0.00 1.12 0.00 0.00 29.99 30.43 3a8k n HIS 275 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a8k n GLY 276 N 1.40 2.53 3.33 -1.41 0.00 0.91 -5.09 105.19 106.86 3a8k n GLY 276 Ca -0.11 -1.76 -0.19 0.00 0.00 0.00 0.00 46.02 43.96 3a8k n GLY 276 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a8k s THR 277 N -2.12 0.32 1.02 2.61 -4.23 -1.26 -4.88 115.64 107.11 3a8k s THR 277 Ca 0.00 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.38 3a8k s THR 277 Cb 0.00 -2.51 0.12 0.00 1.34 0.00 0.00 72.50 71.45 3a8k s THR 277 CO 0.00 0.00 0.60 -0.62 -0.54 0.00 0.00 174.62 174.06 3a8k n GLU 278 N -0.58 -1.03 -4.29 3.99 1.02 -1.26 -4.42 120.64 114.06 3a8k n GLU 278 Ca 0.01 -0.26 -0.19 0.00 -0.02 0.00 0.00 57.16 56.71 3a8k n GLU 278 Cb 0.65 -2.00 -0.13 0.00 -0.02 0.00 0.00 31.44 29.94 3a8k n GLU 278 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3a8k s LYS 279 N -3.96 0.82 -0.07 3.49 -0.14 -0.32 -3.99 119.74 115.56 3a8k s LYS 279 Ca 0.61 -0.68 -0.21 0.00 -1.36 0.00 0.00 55.97 54.33 3a8k s LYS 279 Cb -0.20 -0.78 -0.04 0.00 -1.68 0.00 0.00 37.83 35.12 3a8k s LYS 279 CO 0.65 0.19 0.59 -1.17 -0.76 0.00 0.00 175.35 174.84 3a8k s LEU 280 N -1.06 4.33 0.30 3.17 2.96 -1.24 -1.76 118.68 125.38 3a8k s LEU 280 Ca -0.00 1.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.97 3a8k s LEU 280 Cb -0.07 -2.89 -0.05 0.00 0.50 0.00 0.00 46.19 43.68 3a8k s LEU 280 CO 0.01 -0.01 0.10 0.68 -1.32 0.00 0.00 176.35 175.81 3a8k s VAL 281 N 0.45 0.69 0.20 1.68 -7.23 0.53 -4.58 120.40 112.14 3a8k s VAL 281 Ca 0.31 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.54 3a8k s VAL 281 Cb -0.17 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 3a8k s VAL 281 CO 0.15 0.00 0.19 -0.83 -0.31 0.00 0.00 175.10 174.30 3a8k s GLY 282 N -3.40 1.56 0.00 2.32 0.00 -0.07 -0.71 107.32 107.02 3a8k s GLY 282 Ca 0.36 -1.27 0.03 0.00 0.00 0.00 0.00 44.72 43.84 3a8k s GLY 282 CO 0.15 -1.29 -0.11 1.08 0.00 0.00 0.00 173.10 172.93 3a8k s LEU 283 N -3.46 2.05 -0.10 0.66 1.43 0.30 -0.04 118.68 119.52 3a8k s LEU 283 Ca 0.32 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 3a8k s LEU 283 Cb -0.09 -0.54 0.01 0.00 0.03 0.00 0.00 46.19 45.60 3a8k s LEU 283 CO 0.25 0.11 -0.15 -0.69 0.23 0.00 0.00 176.35 176.10 3a8k s VAL 284 N -0.37 1.43 -0.21 -1.59 1.01 0.71 -1.50 120.40 119.88 3a8k s VAL 284 Ca 0.03 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.40 3a8k s VAL 284 Cb -0.05 -1.30 0.03 0.00 0.00 0.00 0.00 36.38 35.06 3a8k s VAL 284 CO -0.00 0.43 -0.15 -0.32 0.00 0.00 0.00 175.10 175.06 3a8k s MET 285 N 0.86 2.79 0.01 2.72 1.75 -0.33 -1.41 119.30 125.68 3a8k s MET 285 Ca -0.10 -0.98 0.02 0.00 -1.25 0.00 0.00 55.69 53.39 3a8k s MET 285 Cb -0.15 -2.75 -0.25 0.00 2.84 0.00 0.00 34.83 34.52 3a8k s MET 285 CO 0.01 -0.34 0.86 1.79 -0.65 0.00 0.00 175.02 176.70 3a8k h THR 286 N 6.18 1.16 -4.17 10.11 1.35 -1.85 -2.94 112.91 122.74 3a8k h THR 286 Ca -0.36 -2.87 -0.48 0.00 -0.55 0.00 0.00 66.41 62.14 3a8k h THR 286 Cb 1.11 2.68 0.13 0.00 -1.73 0.00 0.00 68.15 70.34 3a8k h THR 286 CO 0.58 0.77 0.29 -1.83 -0.25 0.00 0.00 175.52 175.08 3a8k s GLU 287 N -2.63 1.61 0.69 4.72 1.03 -1.26 -4.91 118.70 117.95 3a8k s GLU 287 Ca -0.07 0.73 -0.12 0.00 0.03 0.00 0.00 54.97 55.54 3a8k s GLU 287 Cb 0.08 -1.86 0.01 0.00 -0.80 0.00 0.00 34.13 31.56 3a8k s GLU 287 CO 0.84 -1.98 1.07 0.15 -1.33 0.00 0.00 175.26 174.01 3a8k s LYS 288 N -5.04 2.84 0.00 -4.83 -0.14 -1.26 -4.87 119.74 106.44 3a8k s LYS 288 Ca 0.62 1.06 0.00 0.00 -1.36 0.00 0.00 55.97 56.30 3a8k s LYS 288 Cb -0.16 -1.97 0.00 0.00 -1.68 0.00 0.00 37.83 34.01 3a8k s LYS 288 CO 0.56 -1.18 0.00 0.41 -0.76 0.00 0.00 175.35 174.38 3a8k n GLY 289 N -1.58 3.95 3.21 -3.33 0.00 -1.26 -5.08 105.19 101.10 3a8k n GLY 289 Ca 0.08 -1.66 -0.36 0.00 0.00 0.00 0.00 46.02 44.08 3a8k n GLY 289 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a8k s VAL 290 N -2.23 3.30 -0.43 1.61 1.01 -1.26 -4.93 120.40 117.47 3a8k s VAL 290 Ca 0.00 -1.32 -0.28 0.00 0.00 0.00 0.00 61.98 60.38 3a8k s VAL 290 Cb 0.00 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 3a8k s VAL 290 CO 0.00 -0.16 1.68 -0.76 0.00 0.00 0.00 175.10 175.86 3a8k s LEU 291 N 1.30 3.47 0.08 3.92 1.43 -1.26 -4.98 118.68 122.64 3a8k s LEU 291 Ca -0.03 0.89 0.05 0.00 -1.03 0.00 0.00 54.13 54.00 3a8k s LEU 291 Cb -0.20 -3.27 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 3a8k s LEU 291 CO 0.00 -1.78 -0.01 -0.60 0.23 0.00 0.00 176.35 174.19 3a8k s ARG 292 N 5.76 2.54 0.21 1.70 3.52 -1.26 -4.04 118.95 127.37 3a8k s ARG 292 Ca 0.70 -0.82 -0.32 0.00 -0.13 0.00 0.00 55.73 55.16 3a8k s ARG 292 Cb -0.17 -2.54 -0.14 0.00 -1.56 0.00 0.00 34.95 30.54 3a8k s ARG 292 CO 0.30 0.55 1.36 0.09 -0.81 0.00 0.00 175.30 176.79 3a8k n ASN 293 N 0.69 2.39 0.00 -2.12 3.02 -1.26 -2.73 115.26 115.24 3a8k n ASN 293 Ca -0.11 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.57 3a8k n ASN 293 Cb 0.52 -1.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.33 3a8k n ASN 293 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3a8k n GLU 294 N 2.14 0.00 -2.18 3.52 1.02 0.85 -5.00 120.64 120.98 3a8k n GLU 294 Ca 0.13 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.87 3a8k n GLU 294 Cb 0.29 -1.77 -0.02 0.00 -0.02 0.00 0.00 31.44 29.91 3a8k n GLU 294 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3a8k s LEU 295 N 0.00 4.41 0.52 -4.62 1.02 -1.11 -4.67 118.68 114.23 3a8k s LEU 295 Ca 0.00 2.59 -0.21 0.00 0.02 0.00 0.00 54.13 56.53 3a8k s LEU 295 Cb 0.00 -3.70 -0.06 0.00 0.02 0.00 0.00 46.19 42.46 3a8k s LEU 295 CO 0.00 -0.51 1.21 -2.84 0.02 0.00 0.00 176.35 174.23 3a8k s PRO 296 N -1.81 3.38 -0.07 1.29 0.02 -1.26 -0.42 135.00 136.13 3a8k s PRO 296 Ca 0.49 1.85 0.03 0.00 0.02 0.00 0.00 61.00 63.40 3a8k s PRO 296 Cb -0.38 -2.19 0.01 0.00 0.02 0.00 0.00 34.50 31.96 3a8k s PRO 296 CO 0.49 -0.88 -0.16 0.08 -0.33 0.00 0.00 177.00 176.20 3a8k s VAL 297 N -1.55 1.44 0.01 3.83 1.01 -0.78 -2.44 120.40 121.92 3a8k s VAL 297 Ca 0.70 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 62.05 3a8k s VAL 297 Cb -0.31 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 3a8k s VAL 297 CO 0.35 0.42 -0.13 -0.13 0.00 0.00 0.00 175.10 175.61 3a8k s ARG 298 N 0.43 0.98 0.20 2.72 0.52 -0.46 -0.06 118.95 123.28 3a8k s ARG 298 Ca -0.13 -0.59 -0.10 0.00 -0.52 0.00 0.00 55.73 54.38 3a8k s ARG 298 Cb -0.15 -0.96 -0.01 0.00 0.52 0.00 0.00 34.95 34.35 3a8k s ARG 298 CO 0.05 0.25 0.37 -0.59 0.02 0.00 0.00 175.30 175.40 3a8k s PHE 299 N -0.56 0.41 -0.10 -0.53 -0.71 -0.89 -1.01 117.98 114.59 3a8k s PHE 299 Ca 0.03 -0.75 0.03 0.00 -1.04 0.00 0.00 56.93 55.20 3a8k s PHE 299 Cb -0.06 0.03 -0.01 0.00 -1.21 0.00 0.00 43.02 41.77 3a8k s PHE 299 CO 0.00 -0.84 -0.21 0.99 -1.34 0.00 0.00 175.22 173.83 3a8k s THR 300 N -4.00 2.34 0.89 -4.49 2.01 -1.26 0.26 115.64 111.40 3a8k s THR 300 Ca 0.20 -0.93 -0.10 0.00 0.31 0.00 0.00 61.69 61.18 3a8k s THR 300 Cb 0.02 -1.91 0.20 0.00 0.01 0.00 0.00 72.50 70.81 3a8k s THR 300 CO 0.04 0.55 1.22 1.51 -0.69 0.00 0.00 174.62 177.26 3a8k s ASP 301 N 0.23 3.36 0.30 3.53 1.47 0.21 -4.82 116.67 120.96 3a8k s ASP 301 Ca -0.14 -0.13 0.05 0.00 1.18 0.00 0.00 52.55 53.51 3a8k s ASP 301 Cb -0.17 0.06 0.81 0.00 -0.34 0.00 0.00 42.92 43.28 3a8k s ASP 301 CO 0.07 -2.54 1.65 0.00 0.68 0.00 0.00 175.17 175.02 3a8k h ALA 302 N -1.30 1.44 -0.90 2.11 0.00 -1.89 -1.77 119.26 116.96 3a8k h ALA 302 Ca -0.40 0.22 -0.52 0.00 0.00 0.00 0.00 54.91 54.21 3a8k h ALA 302 Cb 1.23 0.29 -0.27 0.00 0.00 0.00 0.00 17.79 19.04 3a8k h ALA 302 CO 0.34 -0.50 0.66 1.04 0.00 0.00 0.00 179.25 180.79 3a8k n GLN 303 N -5.19 2.26 -0.99 0.00 3.00 -1.26 -4.90 117.38 110.30 3a8k n GLN 303 Ca 0.24 -2.79 0.00 0.00 -0.01 0.00 0.00 57.00 54.44 3a8k n GLN 303 Cb 0.76 -2.10 0.00 0.00 0.00 0.00 0.00 30.24 28.91 3a8k n GLN 303 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3a8k n GLY 304 N -0.87 0.97 3.69 1.08 0.00 -0.66 -5.01 105.19 104.38 3a8k n GLY 304 Ca 0.55 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.16 3a8k n GLY 304 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a8k s ASN 305 N -2.96 6.97 0.11 1.61 0.01 -1.26 -4.73 114.94 114.70 3a8k s ASN 305 Ca 0.00 1.18 -0.11 0.00 -0.71 0.00 0.00 52.86 53.22 3a8k s ASN 305 Cb 0.00 -2.43 -0.06 0.00 0.41 0.00 0.00 41.25 39.16 3a8k s ASN 305 CO 0.00 -0.25 0.46 0.00 -1.51 0.00 0.00 177.10 175.80 3a8k s GLN 306 N 1.44 3.84 0.19 -0.60 -2.07 -1.26 0.64 119.66 121.85 3a8k s GLN 306 Ca 0.38 0.30 0.05 0.00 -1.82 0.00 0.00 55.36 54.26 3a8k s GLN 306 Cb -0.17 -2.96 -0.05 0.00 -1.09 0.00 0.00 33.01 28.74 3a8k s GLN 306 CO 0.16 0.52 -0.07 -1.01 -1.32 0.00 0.00 175.29 173.56 3a8k s HIS 307 N -1.44 1.46 -0.02 9.60 3.76 0.14 -4.96 115.29 123.83 3a8k s HIS 307 Ca 0.35 -0.78 0.02 0.00 -0.15 0.00 0.00 55.06 54.51 3a8k s HIS 307 Cb -0.14 -0.77 0.00 0.00 1.11 0.00 0.00 32.58 32.78 3a8k s HIS 307 CO 0.19 0.10 -0.08 -2.00 -0.85 0.00 0.00 174.74 172.09 3a8k s GLU 308 N -3.77 0.90 0.00 1.40 2.12 -1.26 -2.09 118.70 116.00 3a8k s GLU 308 Ca 0.22 -0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.26 3a8k s GLU 308 Cb 0.03 -0.85 0.00 0.00 0.26 0.00 0.00 34.13 33.57 3a8k s GLU 308 CO 0.05 0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.28 3a8k n GLY 309 N 3.28 6.01 3.23 -1.50 0.00 0.91 -4.43 105.19 112.68 3a8k n GLY 309 Ca -0.18 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 43.94 3a8k n GLY 309 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3a8k s ILE 310 N -0.32 0.04 -0.04 -0.61 2.07 0.73 -1.86 121.20 121.20 3a8k s ILE 310 Ca 0.00 -0.37 -0.30 0.00 -1.41 0.00 0.00 60.65 58.57 3a8k s ILE 310 Cb 0.00 -0.57 -0.03 0.00 0.13 0.00 0.00 42.46 41.99 3a8k s ILE 310 CO 0.00 -0.20 1.17 -0.63 -1.91 0.00 0.00 174.94 173.37 3a8k s ILE 311 N -0.97 4.31 -0.12 2.00 1.01 0.44 -0.84 121.20 127.03 3a8k s ILE 311 Ca -0.10 1.63 -0.14 0.00 0.00 0.00 0.00 60.65 62.04 3a8k s ILE 311 Cb -0.05 -4.05 -0.26 0.00 0.01 0.00 0.00 42.46 38.11 3a8k s ILE 311 CO 0.03 0.02 0.47 0.71 0.00 0.00 0.00 174.94 176.17 3a8k h THR 312 N 4.95 0.91 -3.16 2.92 1.35 -1.49 0.24 112.91 118.64 3a8k h THR 312 Ca -0.35 -2.36 -0.17 0.00 -0.55 0.00 0.00 66.41 62.98 3a8k h THR 312 Cb 1.17 2.60 -0.26 0.00 -1.73 0.00 0.00 68.15 69.93 3a8k h THR 312 CO 0.86 0.71 -0.44 -0.44 -0.25 0.00 0.00 175.52 175.96 3a8k s SER 313 N -7.02 -0.25 0.08 5.36 0.01 -1.13 -4.63 113.70 106.12 3a8k s SER 313 Ca -0.21 0.48 0.04 0.00 1.31 0.00 0.00 55.95 57.56 3a8k s SER 313 Cb 0.05 0.49 -0.03 0.00 0.21 0.00 0.00 66.02 66.74 3a8k s SER 313 CO 0.75 -0.09 -0.10 -0.83 0.41 0.00 0.00 173.24 173.38 3a8k s GLY 314 N 0.11 0.78 0.13 3.44 0.00 -1.26 -0.01 107.32 110.51 3a8k s GLY 314 Ca -0.00 -1.08 -0.21 0.00 0.00 0.00 0.00 44.72 43.42 3a8k s GLY 314 CO 0.00 -1.15 0.53 -1.08 0.00 0.00 0.00 173.10 171.41 3a8k s THR 315 N -2.09 0.03 -0.19 0.90 -1.32 -0.41 -4.83 115.64 107.72 3a8k s THR 315 Ca 0.02 -0.21 -0.27 0.00 -1.21 0.00 0.00 61.69 60.02 3a8k s THR 315 Cb -0.05 -1.05 -0.01 0.00 -1.51 0.00 0.00 72.50 69.88 3a8k s THR 315 CO 0.00 -0.12 0.91 0.12 -2.21 0.00 0.00 174.62 173.32 3a8k s PHE 316 N -3.53 3.39 -0.51 9.09 5.36 -1.26 -0.44 117.98 130.08 3a8k s PHE 316 Ca 0.00 1.33 -0.20 0.00 -0.96 0.00 0.00 56.93 57.11 3a8k s PHE 316 Cb -0.00 -3.11 0.06 0.00 -0.34 0.00 0.00 43.02 39.63 3a8k s PHE 316 CO -0.11 -0.33 0.66 0.45 -1.46 0.00 0.00 175.22 174.43 3a8k s SER 317 N 1.20 6.23 0.18 6.13 0.15 -0.28 -4.94 113.70 122.37 3a8k s SER 317 Ca 0.40 -0.87 -0.11 0.00 0.70 0.00 0.00 55.95 56.08 3a8k s SER 317 Cb -0.16 -2.31 0.08 0.00 -1.71 0.00 0.00 66.02 61.93 3a8k s SER 317 CO 0.10 -0.93 1.71 -0.65 1.20 0.00 0.00 173.24 174.68 3a8k h PRO 318 N 9.03 0.97 -0.06 5.44 0.11 -1.95 0.73 132.00 146.26 3a8k h PRO 318 Ca -0.27 -0.20 0.04 0.00 0.11 0.00 0.00 66.00 65.67 3a8k h PRO 318 Cb 1.09 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.01 3a8k h PRO 318 CO 0.98 0.85 -0.27 1.15 -0.21 0.00 0.00 178.00 180.50 3a8k h THR 319 N 0.89 0.38 0.00 -1.15 2.02 -1.96 -2.69 112.91 110.41 3a8k h THR 319 Ca 0.20 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.28 3a8k h THR 319 Cb 0.27 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 3a8k h THR 319 CO -0.01 0.00 -0.50 -0.07 0.37 0.00 0.00 175.52 175.31 3a8k h LEU 320 N -0.37 0.00 0.16 2.58 4.07 -1.91 -3.47 115.31 116.38 3a8k h LEU 320 Ca 0.08 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.97 3a8k h LEU 320 Cb 0.49 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.20 3a8k h LEU 320 CO -0.28 0.50 -0.06 0.61 -1.08 0.00 0.00 178.44 178.13 3a8k n GLY 321 N 0.15 0.63 3.25 0.83 0.00 0.25 -5.05 105.19 105.25 3a8k n GLY 321 Ca -0.01 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 3a8k n GLY 321 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a8k s TYR 322 N -1.99 1.27 0.31 1.61 2.02 -1.08 -4.97 117.35 114.53 3a8k s TYR 322 Ca 0.00 -0.78 -0.29 0.00 -0.37 0.00 0.00 57.07 55.63 3a8k s TYR 322 Cb 0.00 -0.66 -0.10 0.00 -0.40 0.00 0.00 41.96 40.80 3a8k s TYR 322 CO 0.00 0.06 1.36 -1.12 -1.57 0.00 0.00 175.55 174.28 3a8k s SER 323 N -3.17 6.70 0.13 2.29 0.01 -1.11 -1.12 113.70 117.43 3a8k s SER 323 Ca 0.17 2.72 0.02 0.00 1.31 0.00 0.00 55.95 60.17 3a8k s SER 323 Cb 0.03 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 3a8k s SER 323 CO 0.01 -0.61 -0.05 0.27 0.41 0.00 0.00 173.24 173.27 3a8k s ILE 324 N -0.85 0.77 -0.02 1.44 -4.36 0.42 -1.19 121.20 117.40 3a8k s ILE 324 Ca 0.52 -1.97 -0.25 0.00 -0.26 0.00 0.00 60.65 58.68 3a8k s ILE 324 Cb -0.41 -1.86 0.05 0.00 1.25 0.00 0.00 42.46 41.49 3a8k s ILE 324 CO 0.52 -0.71 0.55 0.00 0.24 0.00 0.00 174.94 175.54 3a8k s ALA 325 N -3.59 -1.43 -0.08 2.27 0.00 -0.56 -1.29 121.76 117.09 3a8k s ALA 325 Ca 0.17 0.91 -0.05 0.00 0.00 0.00 0.00 51.96 53.00 3a8k s ALA 325 Cb 0.05 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 3a8k s ALA 325 CO -0.01 -0.38 0.13 -0.51 0.00 0.00 0.00 175.76 174.99 3a8k s LEU 326 N -1.41 4.23 -0.07 0.00 1.43 0.98 -0.54 118.68 123.30 3a8k s LEU 326 Ca -0.10 0.36 -0.05 0.00 -1.03 0.00 0.00 54.13 53.31 3a8k s LEU 326 Cb -0.01 -2.19 0.03 0.00 0.03 0.00 0.00 46.19 44.04 3a8k s LEU 326 CO 0.06 0.35 0.18 0.00 0.23 0.00 0.00 176.35 177.17 3a8k s ALA 327 N -1.10 -0.41 -0.20 4.21 0.00 0.11 -1.27 121.76 123.10 3a8k s ALA 327 Ca 0.19 0.61 -0.14 0.00 0.00 0.00 0.00 51.96 52.61 3a8k s ALA 327 Cb -0.12 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 3a8k s ALA 327 CO 0.08 -0.12 0.33 0.50 0.00 0.00 0.00 175.76 176.56 3a8k s ARG 328 N 0.52 4.16 0.04 0.00 3.52 -0.02 -0.34 118.95 126.82 3a8k s ARG 328 Ca -0.04 0.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.65 3a8k s ARG 328 Cb -0.05 -3.52 -0.03 0.00 -1.56 0.00 0.00 34.95 29.79 3a8k s ARG 328 CO -0.03 0.02 -0.04 0.14 -0.81 0.00 0.00 175.30 174.58 3a8k s VAL 329 N 1.15 0.26 0.73 7.11 -7.23 -0.72 -0.20 120.40 121.50 3a8k s VAL 329 Ca 0.16 -1.32 -0.16 0.00 -1.81 0.00 0.00 61.98 58.86 3a8k s VAL 329 Cb -0.14 -0.84 0.03 0.00 0.56 0.00 0.00 36.38 35.98 3a8k s VAL 329 CO 0.07 -0.68 1.09 -2.65 -0.31 0.00 0.00 175.10 172.62 3a8k n PRO 330 N 0.95 0.52 -0.96 4.82 -0.02 -1.26 -1.17 135.00 137.87 3a8k n PRO 330 Ca -0.20 0.24 -0.31 0.00 -2.02 0.00 0.00 63.50 61.22 3a8k n PRO 330 Cb 0.57 -2.34 0.14 0.00 -0.02 0.00 0.00 33.50 31.86 3a8k n PRO 330 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3a8k s GLU 331 N -3.56 1.39 0.00 -0.52 2.02 -1.26 -4.02 118.70 112.74 3a8k s GLU 331 Ca 0.75 1.26 0.00 0.00 0.02 0.00 0.00 54.97 57.00 3a8k s GLU 331 Cb -0.34 -1.79 0.00 0.00 0.10 0.00 0.00 34.13 32.10 3a8k s GLU 331 CO 0.49 -2.28 0.00 0.41 0.02 0.00 0.00 175.26 173.89 3a8k n GLY 332 N -0.46 0.65 3.65 -1.39 0.00 -1.26 -5.05 105.19 101.33 3a8k n GLY 332 Ca 0.10 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 3a8k n GLY 332 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3a8k n ILE 333 N -2.70 3.30 0.00 -0.61 3.06 -1.26 -4.61 119.36 116.54 3a8k n ILE 333 Ca 0.00 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.75 3a8k n ILE 333 Cb 0.00 -1.32 0.00 0.00 0.54 0.00 0.00 39.64 38.86 3a8k n ILE 333 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3a8k n GLY 334 N 1.08 1.82 0.19 4.50 0.00 -1.26 -5.01 105.19 106.51 3a8k n GLY 334 Ca 0.11 -1.68 0.12 0.00 0.00 0.00 0.00 46.02 44.58 3a8k n GLY 334 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3a8k n GLU 335 N 0.00 0.61 -4.25 1.61 1.02 -1.26 -4.74 120.64 113.64 3a8k n GLU 335 Ca 0.00 -0.39 -0.14 0.00 -0.02 0.00 0.00 57.16 56.61 3a8k n GLU 335 Cb 0.00 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 29.83 3a8k n GLU 335 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3a8k s THR 336 N -2.66 0.40 0.03 2.62 -4.23 -1.26 -1.15 115.64 109.39 3a8k s THR 336 Ca 0.19 -1.98 -0.03 0.00 -1.18 0.00 0.00 61.69 58.69 3a8k s THR 336 Cb 0.18 -2.39 0.01 0.00 1.34 0.00 0.00 72.50 71.65 3a8k s THR 336 CO 0.59 -0.19 0.15 0.00 -0.54 0.00 0.00 174.62 174.63 3a8k n ALA 337 N -0.31 -0.37 -2.80 3.99 0.00 -0.88 -4.83 120.51 115.31 3a8k n ALA 337 Ca -0.02 -0.16 -0.15 0.00 0.00 0.00 0.00 53.44 53.11 3a8k n ALA 337 Cb 0.65 0.10 -0.13 0.00 0.00 0.00 0.00 19.45 20.08 3a8k n ALA 337 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3a8k s ILE 338 N -2.58 0.59 0.01 0.00 1.01 -0.18 -1.73 121.20 118.32 3a8k s ILE 338 Ca 0.03 -0.81 0.08 0.00 0.00 0.00 0.00 60.65 59.95 3a8k s ILE 338 Cb -0.00 -0.59 -0.02 0.00 0.01 0.00 0.00 42.46 41.85 3a8k s ILE 338 CO 0.01 -0.17 -0.23 0.68 0.00 0.00 0.00 174.94 175.22 3a8k s VAL 339 N -0.92 1.86 -0.50 2.92 -7.23 0.10 -1.35 120.40 115.29 3a8k s VAL 339 Ca -0.05 -1.11 -0.21 0.00 -1.81 0.00 0.00 61.98 58.80 3a8k s VAL 339 Cb -0.07 -1.57 0.04 0.00 0.56 0.00 0.00 36.38 35.34 3a8k s VAL 339 CO 0.00 0.43 0.71 -1.58 -0.31 0.00 0.00 175.10 174.35 3a8k s GLN 340 N -0.81 3.22 -0.33 4.82 0.74 -1.02 0.66 119.66 126.94 3a8k s GLN 340 Ca 0.09 -0.57 -0.06 0.00 0.05 0.00 0.00 55.36 54.87 3a8k s GLN 340 Cb -0.09 -4.04 0.04 0.00 1.10 0.00 0.00 33.01 30.01 3a8k s GLN 340 CO 0.00 -1.22 0.09 0.42 -0.55 0.00 0.00 175.29 174.03 3a8k s ILE 341 N 3.01 3.72 0.00 -2.34 1.01 -0.67 -4.44 121.20 121.50 3a8k s ILE 341 Ca 0.21 -1.10 0.00 0.00 0.00 0.00 0.00 60.65 59.76 3a8k s ILE 341 Cb -0.16 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.22 3a8k s ILE 341 CO 0.16 -0.14 0.00 -1.14 0.00 0.00 0.00 174.94 173.82 3a8k n ARG 342 N 4.80 0.00 0.17 2.79 3.00 -1.26 -1.39 116.66 124.77 3a8k n ARG 342 Ca -0.13 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.73 3a8k n ARG 342 Cb 0.45 0.00 0.30 0.00 0.00 0.00 0.00 32.46 33.21 3a8k n ARG 342 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 3a8k h ASN 343 N 0.00 0.00 -2.83 6.15 -0.26 -2.01 -3.46 115.58 113.17 3a8k h ASN 343 Ca 0.00 0.00 -0.64 0.00 -0.56 0.00 0.00 56.30 55.10 3a8k h ASN 343 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.21 3a8k h ASN 343 CO 0.00 0.45 -0.46 -0.13 -1.06 0.00 0.00 177.43 176.24 3a8k s ARG 344 N -3.99 3.48 -0.33 0.81 0.52 -0.49 -5.07 118.95 113.89 3a8k s ARG 344 Ca -0.02 -0.23 -0.20 0.00 -0.52 0.00 0.00 55.73 54.75 3a8k s ARG 344 Cb 0.14 -3.09 -0.00 0.00 0.52 0.00 0.00 34.95 32.51 3a8k s ARG 344 CO 0.74 0.67 0.62 -1.21 0.02 0.00 0.00 175.30 176.13 3a8k s GLU 345 N -1.84 3.78 -0.27 3.54 2.02 -1.26 -1.66 118.70 123.01 3a8k s GLU 345 Ca 0.27 0.14 -0.13 0.00 0.02 0.00 0.00 54.97 55.27 3a8k s GLU 345 Cb -0.13 -3.77 -0.04 0.00 0.10 0.00 0.00 34.13 30.29 3a8k s GLU 345 CO 0.17 -0.65 0.30 -1.64 0.02 0.00 0.00 175.26 173.46 3a8k s MET 346 N 2.63 4.01 0.55 1.61 -1.94 0.21 -4.84 119.30 121.53 3a8k s MET 346 Ca 0.24 -0.09 -0.19 0.00 -1.71 0.00 0.00 55.69 53.95 3a8k s MET 346 Cb -0.15 -3.64 -0.05 0.00 2.01 0.00 0.00 34.83 33.00 3a8k s MET 346 CO 0.13 -0.20 1.09 -1.25 -0.01 0.00 0.00 175.02 174.79 3a8k s PRO 347 N 1.83 3.39 0.07 2.03 0.04 -1.26 0.01 135.00 141.11 3a8k s PRO 347 Ca 0.12 1.46 -0.13 0.00 0.04 0.00 0.00 61.00 62.49 3a8k s PRO 347 Cb -0.16 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.38 3a8k s PRO 347 CO 0.10 -0.79 0.30 0.14 0.04 0.00 0.00 177.00 176.79 3a8k s VAL 348 N -1.99 0.09 0.10 -0.36 -7.23 -0.70 -4.75 120.40 105.56 3a8k s VAL 348 Ca 0.69 -0.77 -0.19 0.00 -1.81 0.00 0.00 61.98 59.91 3a8k s VAL 348 Cb -0.20 -1.08 -0.07 0.00 0.56 0.00 0.00 36.38 35.58 3a8k s VAL 348 CO 0.28 -0.42 0.59 -0.75 -0.31 0.00 0.00 175.10 174.49 3a8k s LYS 349 N -3.13 4.18 -0.19 4.82 2.20 -0.50 -2.07 119.74 125.06 3a8k s LYS 349 Ca -0.01 0.72 -0.07 0.00 -0.36 0.00 0.00 55.97 56.26 3a8k s LYS 349 Cb 0.01 -3.16 -0.04 0.00 -1.51 0.00 0.00 37.83 33.13 3a8k s LYS 349 CO -0.07 0.59 0.05 0.08 -0.36 0.00 0.00 175.35 175.64 3a8k s VAL 350 N -1.20 4.61 0.32 4.02 1.01 -0.30 -0.20 120.40 128.66 3a8k s VAL 350 Ca 0.32 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.23 3a8k s VAL 350 Cb -0.19 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 3a8k s VAL 350 CO 0.19 0.45 0.11 0.42 0.00 0.00 0.00 175.10 176.28 3a8k s THR 351 N 0.49 0.64 0.63 3.92 -4.23 0.94 -4.75 115.64 113.29 3a8k s THR 351 Ca 0.02 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.35 3a8k s THR 351 Cb -0.13 -2.57 -0.01 0.00 1.34 0.00 0.00 72.50 71.12 3a8k s THR 351 CO 0.01 0.00 1.22 -0.54 -0.54 0.00 0.00 174.62 174.77 3a8k s LYS 352 N -3.87 2.71 0.00 3.99 1.02 -1.26 -0.89 119.74 121.44 3a8k s LYS 352 Ca 0.34 1.85 -0.04 0.00 0.02 0.00 0.00 55.97 58.14 3a8k s LYS 352 Cb 0.06 -1.89 -0.17 0.00 -0.52 0.00 0.00 37.83 35.31 3a8k s LYS 352 CO 0.15 -1.42 2.58 -0.35 -0.92 0.00 0.00 175.35 175.40 3a8k n PRO 353 N -1.91 1.35 -3.63 -1.68 -0.04 -1.26 -3.56 135.00 124.26 3a8k n PRO 353 Ca 0.14 -0.62 -0.11 0.00 -0.04 0.00 0.00 63.50 62.86 3a8k n PRO 353 Cb 0.49 -1.76 -0.07 0.00 -0.04 0.00 0.00 33.50 32.12 3a8k n PRO 353 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3a8k s VAL 354 N 1.42 0.00 -0.00 0.52 0.11 -1.26 -4.18 120.40 117.00 3a8k s VAL 354 Ca 0.42 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.47 3a8k s VAL 354 Cb 0.20 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 34.04 3a8k s VAL 354 CO 0.00 0.00 0.00 0.49 -3.33 0.00 0.00 175.10 172.26 3a8k n PHE 355 N 3.18 0.00 -3.76 1.54 3.01 -0.39 -4.89 117.46 116.15 3a8k n PHE 355 Ca -0.16 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.05 3a8k n PHE 355 Cb 0.56 -0.02 -0.17 0.00 -0.01 0.00 0.00 39.48 39.85 3a8k n PHE 355 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3a8k s VAL 356 N -2.02 0.49 -0.20 -4.37 1.01 -0.55 -1.44 120.40 113.33 3a8k s VAL 356 Ca -0.00 -0.24 -0.18 0.00 0.00 0.00 0.00 61.98 61.56 3a8k s VAL 356 Cb 0.00 -0.81 -0.20 0.00 0.00 0.00 0.00 36.38 35.37 3a8k s VAL 356 CO 0.02 0.03 0.18 -1.14 0.00 0.00 0.00 175.10 174.19 3a8k n ARG 357 N 5.09 0.60 -3.59 2.72 3.00 -1.04 -4.49 116.66 118.96 3a8k n ARG 357 Ca -0.08 0.48 -0.29 0.00 -0.00 0.00 0.00 57.85 57.96 3a8k n ARG 357 Cb 0.49 -1.71 -0.13 0.00 0.00 0.00 0.00 32.46 31.10 3a8k n ARG 357 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 3a8k s ASN 358 N -6.95 3.45 0.00 6.15 0.01 -1.26 -4.81 114.94 111.53 3a8k s ASN 358 Ca -0.29 -1.97 0.00 0.00 -0.71 0.00 0.00 52.86 49.89 3a8k s ASN 358 Cb 0.07 -0.61 0.00 0.00 0.41 0.00 0.00 41.25 41.12 3a8k s ASN 358 CO 0.61 -0.35 0.00 0.61 -1.51 0.00 0.00 177.10 176.46 3a8k n GLY 359 N 4.37 0.00 3.10 0.66 0.00 -1.26 -4.78 105.19 107.27 3a8k n GLY 359 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 3a8k n GLY 359 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3a8k s LYS 360 N -0.23 0.58 0.96 1.61 2.47 -1.26 -5.00 119.74 118.87 3a8k s LYS 360 Ca 0.00 -0.91 -0.12 0.00 -1.56 0.00 0.00 55.97 53.38 3a8k s LYS 360 Cb 0.00 0.22 0.17 0.00 -1.46 0.00 0.00 37.83 36.76 3a8k s LYS 360 CO 0.00 -0.13 1.09 0.00 0.16 0.00 0.00 175.35 176.46 3a8k s ALA 361 N -3.02 1.06 0.00 3.13 0.00 -1.26 -2.48 121.76 119.19 3a8k s ALA 361 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.90 3a8k s ALA 361 Cb 0.01 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.91 3a8k s ALA 361 CO -0.07 -2.75 0.49 0.28 0.00 0.00 0.00 175.76 173.71