#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ek1 s VAL 5 N 0.00 1.28 -0.03 8.89 1.01 0.69 -4.09 120.40 128.14 1ek1 s VAL 5 Ca 0.00 -1.89 0.03 0.00 0.00 0.00 0.00 61.98 60.12 1ek1 s VAL 5 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1ek1 s VAL 5 CO 0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 175.10 174.43 1ek1 s ALA 6 N -2.69 0.97 0.05 5.51 0.00 -1.15 -0.30 121.76 124.16 1ek1 s ALA 6 Ca 0.13 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.71 1ek1 s ALA 6 Cb -0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1ek1 s ALA 6 CO 0.02 0.16 -0.08 0.00 0.00 0.00 0.00 175.76 175.87 1ek1 s ALA 7 N 0.15 0.64 0.13 0.00 0.00 0.47 -3.02 121.76 120.13 1ek1 s ALA 7 Ca -0.03 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 1ek1 s ALA 7 Cb -0.09 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 1ek1 s ALA 7 CO 0.01 -0.05 0.09 -0.06 0.00 0.00 0.00 175.76 175.75 1ek1 s PHE 8 N -1.71 0.70 0.28 0.00 0.40 -1.20 -1.79 117.98 114.67 1ek1 s PHE 8 Ca -0.07 -1.10 0.08 0.00 -0.60 0.00 0.00 56.93 55.25 1ek1 s PHE 8 Cb -0.08 -0.37 -0.04 0.00 0.51 0.00 0.00 43.02 43.04 1ek1 s PHE 8 CO -0.00 -0.54 0.14 0.34 0.70 0.00 0.00 175.22 175.85 1ek1 s ASP 9 N -3.01 5.05 -0.19 1.36 2.15 -0.64 -3.42 116.67 117.98 1ek1 s ASP 9 Ca 0.20 -0.49 0.09 0.00 0.43 0.00 0.00 52.55 52.78 1ek1 s ASP 9 Cb 0.07 -1.06 -0.22 0.00 -0.30 0.00 0.00 42.92 41.40 1ek1 s ASP 9 CO -0.01 -0.11 0.08 -0.11 -0.17 0.00 0.00 175.17 174.86 1ek1 n LEU 10 N -1.12 1.43 -0.02 -1.34 7.94 -1.26 -2.76 117.00 119.87 1ek1 n LEU 10 Ca -0.06 0.03 0.01 0.00 -1.11 0.00 0.00 56.01 54.89 1ek1 n LEU 10 Cb 0.59 -0.21 0.02 0.00 0.53 0.00 0.00 43.42 44.36 1ek1 n LEU 10 CO 0.42 0.67 0.04 0.47 -1.11 0.00 0.00 177.39 177.89 1ek1 n ASP 11 N -3.05 0.00 -0.00 1.96 8.00 -1.26 -2.69 116.55 119.52 1ek1 n ASP 11 Ca -0.35 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.19 1ek1 n ASP 11 Cb 1.08 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 42.16 1ek1 n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ek1 n GLY 12 N -1.02 0.05 0.06 0.44 0.00 -1.24 -3.78 105.19 99.69 1ek1 n GLY 12 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 1ek1 n GLY 12 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ek1 n VAL 13 N 0.00 0.72 -0.05 1.61 0.31 -1.10 -4.33 118.33 115.49 1ek1 n VAL 13 Ca 0.00 -0.66 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 1ek1 n VAL 13 Cb 0.02 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 1ek1 n VAL 13 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1ek1 n LEU 14 N -2.55 1.81 -3.55 7.52 7.94 -1.11 -4.91 117.00 122.14 1ek1 n LEU 14 Ca -0.16 -1.81 -0.14 0.00 -1.11 0.00 0.00 56.01 52.79 1ek1 n LEU 14 Cb 0.83 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.72 1ek1 n LEU 14 CO 0.44 0.45 0.60 0.00 -1.11 0.00 0.00 177.39 177.77 1ek1 s ALA 15 N -0.86 -1.85 -0.03 1.96 0.00 -1.25 -2.84 121.76 116.89 1ek1 s ALA 15 Ca 0.00 1.48 -0.14 0.00 0.00 0.00 0.00 51.96 53.30 1ek1 s ALA 15 Cb 0.00 -0.39 0.04 0.00 0.00 0.00 0.00 23.12 22.77 1ek1 s ALA 15 CO 0.00 -0.34 0.62 1.47 0.00 0.00 0.00 175.76 177.51 1ek1 n LEU 16 N 0.91 0.00 -4.42 0.00 -0.00 -0.61 -3.72 117.00 109.16 1ek1 n LEU 16 Ca -0.15 -0.11 -0.41 0.00 -0.00 0.00 0.00 56.01 55.35 1ek1 n LEU 16 Cb 0.57 0.80 0.01 0.00 -0.00 0.00 0.00 43.42 44.80 1ek1 n LEU 16 CO 0.19 -0.04 -0.05 -0.81 -0.00 0.00 0.00 177.39 176.68 1ek1 n PRO 17 N -0.45 0.44 0.00 1.47 -0.04 -1.26 0.76 135.00 135.93 1ek1 n PRO 17 Ca 0.03 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1ek1 n PRO 17 Cb 0.27 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 1ek1 n PRO 17 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ek1 n SER 18 N 1.38 0.00 0.00 3.54 2.88 -1.26 -4.74 113.62 115.42 1ek1 n SER 18 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1ek1 n SER 18 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1ek1 n SER 18 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1ek1 n ILE 19 N -0.25 0.00 0.00 2.46 5.41 -1.25 -4.97 119.36 120.76 1ek1 n ILE 19 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1ek1 n ILE 19 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1ek1 n ILE 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ek1 n GLY 48 N 0.83 0.00 0.21 7.39 0.00 -1.26 -5.05 105.19 107.30 1ek1 n GLY 48 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1ek1 n GLY 48 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ek1 h PRO 49 N 0.00 0.00 0.20 1.61 0.11 -2.02 -2.93 132.00 128.97 1ek1 h PRO 49 Ca 0.00 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.83 1ek1 h PRO 49 Cb 0.00 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.14 1ek1 h PRO 49 CO 0.00 0.00 -1.24 1.15 -0.21 0.00 0.00 178.00 177.70 1ek1 h THR 50 N 0.00 1.33 0.00 -1.15 2.02 -1.99 -2.75 112.91 110.37 1ek1 h THR 50 Ca 0.00 -2.61 -0.02 0.00 0.77 0.00 0.00 66.41 64.55 1ek1 h THR 50 Cb 0.87 3.07 -0.00 0.00 -1.74 0.00 0.00 68.15 70.35 1ek1 h THR 50 CO 0.00 0.77 -0.11 -0.08 0.37 0.00 0.00 175.52 176.48 1ek1 h GLU 51 N -0.08 0.00 -0.00 6.66 4.81 -2.00 -3.21 114.58 120.75 1ek1 h GLU 51 Ca -0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1ek1 h GLU 51 Cb 1.94 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.32 1ek1 h GLU 51 CO 0.21 0.11 -0.20 0.00 -0.73 0.00 0.00 179.01 178.40 1ek1 n GLN 52 N -4.11 3.28 0.10 1.92 -0.00 -1.13 -4.25 117.38 113.19 1ek1 n GLN 52 Ca -0.02 -0.31 0.11 0.00 -0.00 0.00 0.00 57.00 56.78 1ek1 n GLN 52 Cb 0.19 -0.91 0.46 0.00 -0.00 0.00 0.00 30.24 29.98 1ek1 n GLN 52 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 1ek1 n LEU 53 N -0.63 0.56 -0.08 2.61 -0.00 -1.04 -0.01 117.00 118.41 1ek1 n LEU 53 Ca 0.02 0.62 -0.13 0.00 -0.00 0.00 0.00 56.01 56.53 1ek1 n LEU 53 Cb 0.12 -0.53 -0.01 0.00 -0.00 0.00 0.00 43.42 43.01 1ek1 n LEU 53 CO 0.10 -0.45 0.50 0.24 -0.00 0.00 0.00 177.39 177.79 1ek1 h MET 54 N 0.00 0.83 0.00 1.47 2.86 -1.74 -2.67 114.93 115.68 1ek1 h MET 54 Ca 0.00 -0.48 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1ek1 h MET 54 Cb 0.40 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1ek1 h MET 54 CO 0.00 1.12 0.00 0.87 1.06 0.00 0.00 176.91 179.96 1ek1 h LYS 55 N 0.66 0.00 0.00 1.72 1.57 -0.62 0.82 116.57 120.72 1ek1 h LYS 55 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1ek1 h LYS 55 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1ek1 h LYS 55 CO 0.10 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.39 1ek1 n GLY 56 N 0.09 1.08 0.03 3.86 0.00 -0.96 -3.78 105.19 105.52 1ek1 n GLY 56 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 1ek1 n GLY 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ek1 n LYS 57 N -1.75 0.09 -3.86 1.61 5.02 -1.22 -4.86 118.16 113.19 1ek1 n LYS 57 Ca 0.00 0.06 -0.10 0.00 -2.02 0.00 0.00 58.31 56.25 1ek1 n LYS 57 Cb 0.00 -1.59 -0.08 0.00 -0.02 0.00 0.00 35.03 33.34 1ek1 n LYS 57 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1ek1 s ILE 58 N -3.04 0.12 0.00 -0.18 -4.36 -1.26 -5.03 121.20 107.44 1ek1 s ILE 58 Ca 0.12 -0.98 0.00 0.00 -0.26 0.00 0.00 60.65 59.53 1ek1 s ILE 58 Cb 0.17 -0.98 0.00 0.00 1.25 0.00 0.00 42.46 42.89 1ek1 s ILE 58 CO 0.60 -0.54 0.00 0.35 0.24 0.00 0.00 174.94 175.59 1ek1 n THR 59 N 0.57 0.00 -0.04 8.37 -2.24 -1.25 -4.58 114.28 115.11 1ek1 n THR 59 Ca -0.18 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.58 1ek1 n THR 59 Cb 0.59 -1.67 -0.01 0.00 -2.10 0.00 0.00 70.33 67.15 1ek1 n THR 59 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1ek1 h PHE 60 N -0.11 0.00 -0.50 4.78 3.57 -1.77 -3.39 116.94 119.51 1ek1 h PHE 60 Ca 0.00 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1ek1 h PHE 60 Cb 0.00 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 38.64 1ek1 h PHE 60 CO 0.00 0.00 -0.28 0.77 -2.23 0.00 0.00 178.31 176.57 1ek1 h SER 61 N -0.70 -0.96 -0.73 0.41 0.02 -1.90 -2.83 113.55 106.85 1ek1 h SER 61 Ca 0.00 0.20 -0.56 0.00 -0.84 0.00 0.00 61.79 60.58 1ek1 h SER 61 Cb 0.20 0.49 -0.07 0.00 0.14 0.00 0.00 62.40 63.16 1ek1 h SER 61 CO 0.00 -0.28 1.82 0.00 -1.14 0.00 0.00 176.83 177.23 1ek1 s GLN 62 N -6.06 3.49 0.00 3.45 -2.07 -1.26 -3.89 119.66 113.31 1ek1 s GLN 62 Ca -0.14 -1.72 0.00 0.00 -1.82 0.00 0.00 55.36 51.68 1ek1 s GLN 62 Cb 0.15 -5.44 0.00 0.00 -1.09 0.00 0.00 33.01 26.63 1ek1 s GLN 62 CO 0.70 -2.84 0.00 1.87 -1.32 0.00 0.00 175.29 173.70 1ek1 n TRP 63 N 10.40 0.00 -2.87 9.60 -0.00 -1.07 -3.95 117.44 129.56 1ek1 n TRP 63 Ca 0.47 0.00 -0.27 0.00 -0.00 0.00 0.00 57.50 57.71 1ek1 n TRP 63 Cb 0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.74 1ek1 n TRP 63 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 177.69 179.24 1ek1 n VAL 64 N 0.00 2.88 0.00 5.87 3.14 -1.25 -4.98 118.33 123.99 1ek1 n VAL 64 Ca 0.00 -5.44 0.00 0.00 -2.96 0.00 0.00 64.34 55.94 1ek1 n VAL 64 Cb 0.00 -1.34 0.00 0.00 -1.06 0.00 0.00 33.84 31.44 1ek1 n VAL 64 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1ek1 n PRO 65 N -0.28 0.00 0.00 1.45 -0.04 -1.26 -5.16 135.00 129.72 1ek1 n PRO 65 Ca 0.32 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1ek1 n PRO 65 Cb 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 1ek1 n PRO 65 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1ek1 n LEU 66 N 0.00 0.00 0.00 1.53 -0.00 -1.26 -5.19 117.00 112.08 1ek1 n LEU 66 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1ek1 n LEU 66 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1ek1 n LEU 66 CO 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 177.39 177.15 1ek1 n GLN 90 N -1.21 0.00 -0.23 1.47 -0.00 -1.26 -5.21 117.38 110.94 1ek1 n GLN 90 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1ek1 n GLN 90 Cb 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 30.24 29.98 1ek1 n GLN 90 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1ek1 n ILE 91 N -2.70 0.00 -1.36 -0.39 5.41 -1.26 -4.01 119.36 115.04 1ek1 n ILE 91 Ca 0.00 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.64 1ek1 n ILE 91 Cb 0.24 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.17 1ek1 n ILE 91 CO 0.00 0.00 0.00 2.22 0.00 0.00 0.00 176.55 178.77 1ek1 n PHE 92 N 0.82 0.00 0.01 1.39 1.16 -1.26 -4.73 117.46 114.86 1ek1 n PHE 92 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1ek1 n PHE 92 Cb 0.06 0.03 0.00 0.00 -1.61 0.00 0.00 39.48 37.97 1ek1 n PHE 92 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1ek1 n SER 93 N 0.00 0.00 0.00 5.98 2.88 -1.26 0.53 113.62 121.75 1ek1 n SER 93 Ca 0.00 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1ek1 n SER 93 Cb 0.17 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 1ek1 n SER 93 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ek1 n GLN 94 N -0.79 0.00 -0.33 -1.46 3.00 -1.26 -4.35 117.38 112.19 1ek1 n GLN 94 Ca 0.00 0.00 0.24 0.00 -0.01 0.00 0.00 57.00 57.23 1ek1 n GLN 94 Cb 0.00 -0.97 0.48 0.00 0.00 0.00 0.00 30.24 29.75 1ek1 n GLN 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ek1 h ALA 95 N 0.00 1.96 -0.06 -1.58 0.00 -0.21 2.24 119.26 121.62 1ek1 h ALA 95 Ca 0.00 0.20 -0.20 0.00 0.00 0.00 0.00 54.91 54.90 1ek1 h ALA 95 Cb 0.97 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ek1 h ALA 95 CO 0.00 -0.60 -0.82 1.98 0.00 0.00 0.00 179.25 179.81 1ek1 h MET 96 N 0.30 0.46 0.74 0.00 1.85 -1.70 -3.29 114.93 113.29 1ek1 h MET 96 Ca 0.74 -0.42 -0.03 0.00 -0.61 0.00 0.00 59.70 59.38 1ek1 h MET 96 Cb 1.71 0.10 0.00 0.00 0.43 0.00 0.00 31.60 33.85 1ek1 h MET 96 CO -0.62 1.06 -0.41 0.00 -0.40 0.00 0.00 176.91 176.54 1ek1 h ALA 97 N 0.81 -1.25 0.00 0.39 0.00 0.33 -2.85 119.26 116.69 1ek1 h ALA 97 Ca -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1ek1 h ALA 97 Cb 1.42 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1ek1 h ALA 97 CO 0.14 -1.20 0.00 0.00 0.00 0.00 0.00 179.25 178.20 1ek1 n ALA 98 N -2.61 1.65 -3.76 0.00 0.00 0.11 -4.50 120.51 111.40 1ek1 n ALA 98 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.08 1ek1 n ALA 98 Cb 0.43 -1.06 -0.17 0.00 0.00 0.00 0.00 19.45 18.65 1ek1 n ALA 98 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1ek1 s ARG 99 N 0.93 0.63 0.00 0.00 1.70 -1.08 -4.05 118.95 117.08 1ek1 s ARG 99 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 55.73 55.34 1ek1 s ARG 99 Cb 0.00 -0.95 0.00 0.00 -0.57 0.00 0.00 34.95 33.43 1ek1 s ARG 99 CO 0.00 -0.28 0.00 -1.13 -1.08 0.00 0.00 175.30 172.81 1ek1 n SER 100 N 5.01 1.55 -4.80 -2.89 3.41 0.23 -4.75 113.62 111.38 1ek1 n SER 100 Ca -0.09 -0.78 -0.34 0.00 -0.26 0.00 0.00 58.87 57.39 1ek1 n SER 100 Cb 0.50 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.41 1ek1 n SER 100 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ek1 s ILE 101 N -0.16 3.89 -1.05 -1.33 1.01 -1.26 -1.58 121.20 120.71 1ek1 s ILE 101 Ca 0.00 1.20 -0.09 0.00 0.00 0.00 0.00 60.65 61.76 1ek1 s ILE 101 Cb 0.00 -3.50 0.26 0.00 0.01 0.00 0.00 42.46 39.24 1ek1 s ILE 101 CO 0.00 -0.23 1.03 0.21 0.00 0.00 0.00 174.94 175.95 1ek1 s ASN 102 N -1.98 7.10 0.24 3.58 2.47 -1.13 -4.83 114.94 120.40 1ek1 s ASN 102 Ca 0.65 -3.51 -0.06 0.00 0.42 0.00 0.00 52.86 50.36 1ek1 s ASN 102 Cb -0.16 -2.17 0.45 0.00 -1.45 0.00 0.00 41.25 37.92 1ek1 s ASN 102 CO 0.19 -0.31 1.66 0.03 -3.72 0.00 0.00 177.10 174.95 1ek1 h ARG 103 N 6.71 0.16 -0.31 0.43 2.47 -1.93 0.42 114.38 122.34 1ek1 h ARG 103 Ca 0.17 -0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.84 1ek1 h ARG 103 Cb 0.89 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.15 1ek1 h ARG 103 CO 0.97 0.11 0.02 -1.00 0.56 0.00 0.00 179.97 180.62 1ek1 h PRO 104 N 0.17 0.46 -0.02 0.04 0.13 -1.94 0.58 132.00 131.42 1ek1 h PRO 104 Ca 0.41 -0.09 -0.06 0.00 -0.87 0.00 0.00 66.00 65.40 1ek1 h PRO 104 Cb 0.72 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1ek1 h PRO 104 CO -0.59 0.48 -0.22 1.98 -0.23 0.00 0.00 178.00 179.42 1ek1 h MET 105 N 0.45 0.19 -0.20 0.86 -1.53 -1.66 -2.15 114.93 110.89 1ek1 h MET 105 Ca 0.10 -0.17 -0.04 0.00 -3.44 0.00 0.00 59.70 56.15 1ek1 h MET 105 Cb 0.27 0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.35 1ek1 h MET 105 CO 0.01 0.86 -0.05 1.25 0.14 0.00 0.00 176.91 179.12 1ek1 h LEU 106 N -0.43 0.27 -0.26 3.39 6.46 0.32 -2.14 115.31 122.93 1ek1 h LEU 106 Ca -0.02 -0.04 -0.19 0.00 -0.12 0.00 0.00 57.88 57.50 1ek1 h LEU 106 Cb 0.92 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 1ek1 h LEU 106 CO 0.04 0.36 -0.59 -0.61 -0.62 0.00 0.00 178.44 177.03 1ek1 h GLN 107 N 0.29 0.86 -1.09 1.25 5.75 0.14 -2.98 115.11 119.34 1ek1 h GLN 107 Ca 0.06 -0.58 0.29 0.00 -0.15 0.00 0.00 58.65 58.28 1ek1 h GLN 107 Cb 0.27 0.08 -0.09 0.00 1.07 0.00 0.00 27.48 28.82 1ek1 h GLN 107 CO 0.01 1.21 0.72 0.00 -2.65 0.00 0.00 178.83 178.12 1ek1 h ALA 108 N 0.65 2.47 0.72 3.38 0.00 -0.69 -2.16 119.26 123.63 1ek1 h ALA 108 Ca 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1ek1 h ALA 108 Cb 1.20 0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.05 1ek1 h ALA 108 CO 0.13 -0.87 -0.35 0.00 0.00 0.00 0.00 179.25 178.16 1ek1 h ALA 109 N 1.57 -1.01 -0.78 0.00 0.00 -1.45 -2.58 119.26 115.01 1ek1 h ALA 109 Ca 0.60 -0.21 0.22 0.00 0.00 0.00 0.00 54.91 55.52 1ek1 h ALA 109 Cb 1.75 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 19.88 1ek1 h ALA 109 CO -0.24 -0.94 0.56 0.82 0.00 0.00 0.00 179.25 179.44 1ek1 h ILE 110 N -1.20 0.63 0.00 0.00 1.08 -1.46 0.23 117.51 116.79 1ek1 h ILE 110 Ca -0.10 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1ek1 h ILE 110 Cb 0.74 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 1ek1 h ILE 110 CO 0.16 0.01 0.00 0.00 -0.69 0.00 0.00 178.15 177.63 1ek1 n ALA 111 N -2.67 0.00 -0.45 1.87 0.00 -0.86 0.07 120.51 118.47 1ek1 n ALA 111 Ca 0.16 0.00 0.38 0.00 0.00 0.00 0.00 53.44 53.98 1ek1 n ALA 111 Cb 0.82 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.90 1ek1 n ALA 111 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ek1 n LEU 112 N -0.37 0.19 -0.05 0.00 4.77 -0.63 0.28 117.00 121.19 1ek1 n LEU 112 Ca 0.00 1.29 -0.15 0.00 -0.03 0.00 0.00 56.01 57.12 1ek1 n LEU 112 Cb 0.00 -0.63 -0.07 0.00 -2.33 0.00 0.00 43.42 40.39 1ek1 n LEU 112 CO 0.00 -1.40 0.47 0.50 -1.33 0.00 0.00 177.39 175.63 1ek1 h LYS 113 N 0.00 0.53 -0.66 3.23 3.64 -0.59 0.30 116.57 123.02 1ek1 h LYS 113 Ca 0.82 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 59.83 1ek1 h LYS 113 Cb 2.67 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 34.51 1ek1 h LYS 113 CO -0.43 0.97 0.35 -0.22 -2.27 0.00 0.00 179.45 177.85 1ek1 h LYS 114 N 0.17 0.92 -0.00 1.90 3.64 0.80 -2.86 116.57 121.14 1ek1 h LYS 114 Ca -0.00 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1ek1 h LYS 114 Cb 0.97 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1ek1 h LYS 114 CO 0.08 0.71 -0.01 -0.22 -2.27 0.00 0.00 179.45 177.74 1ek1 h LYS 115 N 0.90 0.00 0.00 1.90 3.64 0.96 -3.46 116.57 120.51 1ek1 h LYS 115 Ca 0.23 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1ek1 h LYS 115 Cb 0.06 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1ek1 h LYS 115 CO -0.03 0.01 0.00 0.41 -2.27 0.00 0.00 179.45 177.57 1ek1 n GLY 116 N -1.51 0.07 3.64 5.01 0.00 0.86 -5.03 105.19 108.23 1ek1 n GLY 116 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 1ek1 n GLY 116 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ek1 n PHE 117 N 0.00 -2.58 -5.15 1.61 3.01 -0.08 -4.86 117.46 109.40 1ek1 n PHE 117 Ca 0.00 -1.85 -0.30 0.00 1.01 0.00 0.00 57.45 56.30 1ek1 n PHE 117 Cb 0.00 -0.58 -0.17 0.00 -0.01 0.00 0.00 39.48 38.73 1ek1 n PHE 117 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1ek1 s THR 118 N -2.56 1.91 0.14 4.37 -4.23 -1.26 -4.52 115.64 109.48 1ek1 s THR 118 Ca 0.59 -0.97 0.05 0.00 -1.18 0.00 0.00 61.69 60.19 1ek1 s THR 118 Cb -0.04 -1.63 -0.04 0.00 1.34 0.00 0.00 72.50 72.13 1ek1 s THR 118 CO 0.38 0.53 0.05 0.42 -0.54 0.00 0.00 174.62 175.46 1ek1 s THR 119 N 0.06 4.10 0.30 3.99 -4.23 -1.26 -2.93 115.64 115.68 1ek1 s THR 119 Ca -0.09 -1.13 -0.13 0.00 -1.18 0.00 0.00 61.69 59.16 1ek1 s THR 119 Cb -0.15 -3.03 0.01 0.00 1.34 0.00 0.00 72.50 70.68 1ek1 s THR 119 CO 0.05 -0.02 0.59 0.00 -0.54 0.00 0.00 174.62 174.70 1ek1 s ILE 121 N -3.43 0.61 -0.40 0.00 -1.09 -1.10 -3.21 121.20 112.58 1ek1 s ILE 121 Ca 0.20 -0.18 0.05 0.00 -2.23 0.00 0.00 60.65 58.50 1ek1 s ILE 121 Cb -0.03 -0.62 0.20 0.00 -1.58 0.00 0.00 42.46 40.44 1ek1 s ILE 121 CO 0.11 0.24 0.41 0.55 -1.23 0.00 0.00 174.94 175.02 1ek1 n VAL 122 N 3.95 -1.03 -4.05 2.92 3.14 -1.22 0.65 118.33 122.69 1ek1 n VAL 122 Ca -0.25 -3.61 -0.23 0.00 -2.96 0.00 0.00 64.34 57.29 1ek1 n VAL 122 Cb 0.51 -1.73 -0.06 0.00 -1.06 0.00 0.00 33.84 31.49 1ek1 n VAL 122 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1ek1 s THR 123 N -0.38 2.78 -0.48 1.55 -1.32 -0.92 -4.70 115.64 112.17 1ek1 s THR 123 Ca 0.34 -1.66 -0.20 0.00 -1.21 0.00 0.00 61.69 58.96 1ek1 s THR 123 Cb 0.09 -2.98 0.04 0.00 -1.51 0.00 0.00 72.50 68.14 1ek1 s THR 123 CO -0.17 -0.11 0.63 0.20 -2.21 0.00 0.00 174.62 172.96 1ek1 s ASN 124 N -3.89 6.25 0.00 8.08 0.01 -1.26 -1.84 114.94 122.30 1ek1 s ASN 124 Ca 0.40 -0.70 0.00 0.00 -0.71 0.00 0.00 52.86 51.84 1ek1 s ASN 124 Cb -0.01 -2.30 0.00 0.00 0.41 0.00 0.00 41.25 39.35 1ek1 s ASN 124 CO 0.23 -0.85 0.00 -3.20 -1.51 0.00 0.00 177.10 171.77 1ek1 n ASN 125 N 6.22 0.00 0.00 -1.22 2.85 -1.26 -4.83 115.26 117.02 1ek1 n ASN 125 Ca -0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 1ek1 n ASN 125 Cb 0.46 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.48 1ek1 n ASN 125 CO 0.00 0.00 0.00 -2.67 -2.11 0.00 0.00 177.26 172.48 1ek1 n TRP 126 N 0.00 0.00 -3.81 1.20 2.14 -1.26 -4.49 117.44 111.21 1ek1 n TRP 126 Ca 0.00 0.00 -0.37 0.00 2.07 0.00 0.00 57.50 59.20 1ek1 n TRP 126 Cb 0.00 0.00 -0.13 0.00 -0.81 0.00 0.00 31.31 30.37 1ek1 n TRP 126 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1ek1 s LEU 127 N 0.00 4.13 -0.63 5.67 1.02 -1.26 -4.96 118.68 122.65 1ek1 s LEU 127 Ca 0.00 -1.18 -0.26 0.00 0.02 0.00 0.00 54.13 52.72 1ek1 s LEU 127 Cb 0.00 -1.81 0.04 0.00 0.02 0.00 0.00 46.19 44.44 1ek1 s LEU 127 CO 0.00 -0.30 1.11 -1.81 0.02 0.00 0.00 176.35 175.37 1ek1 s ASP 128 N 1.35 6.29 -0.02 2.29 1.11 -1.26 -1.95 116.67 124.48 1ek1 s ASP 128 Ca -0.03 -0.37 0.15 0.00 0.18 0.00 0.00 52.55 52.47 1ek1 s ASP 128 Cb -0.19 -2.50 0.46 0.00 1.07 0.00 0.00 42.92 41.76 1ek1 s ASP 128 CO 0.01 -1.50 1.37 0.47 1.18 0.00 0.00 175.17 176.70 1ek1 n ASP 129 N 8.30 2.93 -3.00 0.27 9.92 -1.26 -4.85 116.55 128.86 1ek1 n ASP 129 Ca 0.03 -2.10 0.00 0.00 -0.53 0.00 0.00 54.79 52.19 1ek1 n ASP 129 Cb 0.48 -0.38 0.00 0.00 -0.64 0.00 0.00 41.12 40.58 1ek1 n ASP 129 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ek1 n GLY 130 N 1.17 -1.41 0.05 0.44 0.00 -1.26 -4.90 105.19 99.28 1ek1 n GLY 130 Ca 0.17 -0.47 -0.06 0.00 0.00 0.00 0.00 46.02 45.67 1ek1 n GLY 130 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ek1 n ASP 131 N -1.13 2.60 -1.63 1.61 10.43 -1.26 -4.07 116.55 123.11 1ek1 n ASP 131 Ca 0.00 -0.01 -0.12 0.00 2.57 0.00 0.00 54.79 57.23 1ek1 n ASP 131 Cb 0.00 0.55 0.06 0.00 1.84 0.00 0.00 41.12 43.58 1ek1 n ASP 131 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1ek1 n LYS 132 N -2.48 1.60 0.38 -1.24 4.01 -1.26 -4.31 118.16 114.86 1ek1 n LYS 132 Ca -0.18 -1.33 -0.15 0.00 -0.51 0.00 0.00 58.31 56.14 1ek1 n LYS 132 Cb 0.81 -1.52 -0.07 0.00 -0.51 0.00 0.00 35.03 33.74 1ek1 n LYS 132 CO 0.00 0.00 0.00 -0.09 -1.11 0.00 0.00 177.40 176.20 1ek1 h ARG 133 N 0.74 -0.95 -0.90 1.97 2.43 -1.89 -3.20 114.38 112.58 1ek1 h ARG 133 Ca 0.27 0.06 0.25 0.00 -0.81 0.00 0.00 59.98 59.76 1ek1 h ARG 133 Cb 1.53 0.22 -0.15 0.00 -0.42 0.00 0.00 29.97 31.15 1ek1 h ARG 133 CO 0.54 -0.63 0.21 0.38 -1.51 0.00 0.00 179.97 178.96 1ek1 h ASP 134 N -1.15 -0.09 -0.75 -3.80 3.04 -1.91 1.31 116.42 113.08 1ek1 h ASP 134 Ca -0.10 0.22 0.26 0.00 -3.24 0.00 0.00 57.03 54.16 1ek1 h ASP 134 Cb 0.75 0.32 -0.14 0.00 -1.04 0.00 0.00 39.33 39.22 1ek1 h ASP 134 CO 0.17 -0.22 0.19 -1.20 -2.04 0.00 0.00 179.24 176.14 1ek1 n SER 135 N -5.29 0.07 0.07 4.15 7.64 -1.21 0.61 113.62 119.67 1ek1 n SER 135 Ca 0.23 1.26 -0.05 0.00 1.01 0.00 0.00 58.87 61.31 1ek1 n SER 135 Cb 0.73 -0.53 -0.03 0.00 -1.01 0.00 0.00 64.21 63.38 1ek1 n SER 135 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1ek1 h LEU 136 N 0.00 -0.24 0.00 -3.43 7.12 0.16 -2.92 115.31 116.00 1ek1 h LEU 136 Ca 0.54 -0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.50 1ek1 h LEU 136 Cb 1.28 0.06 0.00 0.00 -0.53 0.00 0.00 40.66 41.47 1ek1 h LEU 136 CO -0.65 0.25 0.00 0.00 -0.13 0.00 0.00 178.44 177.91 1ek1 n ALA 137 N -2.74 0.00 -0.01 1.25 0.00 0.20 -0.52 120.51 118.70 1ek1 n ALA 137 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.28 1ek1 n ALA 137 Cb 0.14 0.37 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 1ek1 n ALA 137 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1ek1 h GLN 138 N 0.00 -0.45 -0.60 0.00 4.20 -1.35 1.16 115.11 118.06 1ek1 h GLN 138 Ca 0.00 0.03 0.17 0.00 0.06 0.00 0.00 58.65 58.92 1ek1 h GLN 138 Cb 0.00 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1ek1 h GLN 138 CO 0.00 -0.30 0.65 1.98 -0.67 0.00 0.00 178.83 180.49 1ek1 h MET 139 N -0.46 0.00 0.06 1.46 1.85 -1.05 0.40 114.93 117.19 1ek1 h MET 139 Ca 0.08 0.00 -0.33 0.00 -0.61 0.00 0.00 59.70 58.84 1ek1 h MET 139 Cb 0.61 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.61 1ek1 h MET 139 CO -0.40 0.00 -1.83 -1.33 -0.40 0.00 0.00 176.91 172.95 1ek1 n MET 140 N -3.62 0.67 0.22 0.39 2.81 0.14 -3.08 117.12 114.65 1ek1 n MET 140 Ca 0.12 0.36 0.16 0.00 -1.81 0.00 0.00 57.70 56.53 1ek1 n MET 140 Cb 0.87 -1.69 0.82 0.00 -0.71 0.00 0.00 33.22 32.51 1ek1 n MET 140 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ek1 h GLU 142 N 0.00 -0.45 -0.80 0.00 4.81 -0.36 -3.29 114.58 114.49 1ek1 h GLU 142 Ca 0.06 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.39 1ek1 h GLU 142 Cb 0.33 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.76 1ek1 h GLU 142 CO -0.00 -0.27 0.52 -0.07 -0.73 0.00 0.00 179.01 178.46 1ek1 h LEU 143 N -1.11 0.77 0.00 1.64 3.38 -1.41 -3.36 115.31 115.22 1ek1 h LEU 143 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ek1 h LEU 143 Cb 0.38 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1ek1 h LEU 143 CO 0.08 0.50 0.00 -0.24 0.09 0.00 0.00 178.44 178.86 1ek1 n SER 144 N -4.48 0.00 0.24 -0.43 2.88 0.79 0.22 113.62 112.84 1ek1 n SER 144 Ca 0.12 0.02 0.10 0.00 -1.33 0.00 0.00 58.87 57.78 1ek1 n SER 144 Cb 0.21 0.00 0.36 0.00 -0.75 0.00 0.00 64.21 64.03 1ek1 n SER 144 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1ek1 h GLN 145 N 0.00 0.00 -0.01 -1.46 1.08 -1.76 -2.32 115.11 110.64 1ek1 h GLN 145 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ek1 h GLN 145 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1ek1 h GLN 145 CO 0.00 0.00 -0.21 0.72 -0.95 0.00 0.00 178.83 178.39 1ek1 n HIS 146 N -2.80 0.00 -4.32 2.96 8.25 0.13 -4.84 115.22 114.60 1ek1 n HIS 146 Ca 0.03 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.27 1ek1 n HIS 146 Cb 0.86 -0.09 -0.11 0.00 1.12 0.00 0.00 29.99 31.76 1ek1 n HIS 146 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1ek1 s PHE 147 N -2.39 1.81 -0.13 4.41 0.40 -0.87 -4.74 117.98 116.47 1ek1 s PHE 147 Ca 0.27 -0.46 0.16 0.00 -0.60 0.00 0.00 56.93 56.30 1ek1 s PHE 147 Cb 0.20 -0.92 -0.24 0.00 0.51 0.00 0.00 43.02 42.57 1ek1 s PHE 147 CO 0.48 0.30 0.34 -0.25 0.70 0.00 0.00 175.22 176.79 1ek1 n ASP 148 N 0.44 0.35 -4.07 1.36 8.00 -0.39 -4.94 116.55 117.30 1ek1 n ASP 148 Ca -0.14 0.17 -0.29 0.00 0.71 0.00 0.00 54.79 55.24 1ek1 n ASP 148 Cb 0.56 0.63 -0.17 0.00 -0.02 0.00 0.00 41.12 42.13 1ek1 n ASP 148 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1ek1 s PHE 149 N -2.60 2.01 -0.39 1.24 0.08 -1.15 -5.07 117.98 112.10 1ek1 s PHE 149 Ca -0.08 -0.92 -0.08 0.00 0.12 0.00 0.00 56.93 55.97 1ek1 s PHE 149 Cb 0.07 -1.43 0.06 0.00 -0.57 0.00 0.00 43.02 41.15 1ek1 s PHE 149 CO 0.83 -0.46 0.21 -1.17 -0.10 0.00 0.00 175.22 174.53 1ek1 s LEU 150 N 0.89 4.89 -0.75 -0.37 2.96 -1.26 -2.71 118.68 122.32 1ek1 s LEU 150 Ca -0.08 -1.37 -0.09 0.00 -0.22 0.00 0.00 54.13 52.37 1ek1 s LEU 150 Cb -0.15 -1.96 0.20 0.00 0.50 0.00 0.00 46.19 44.78 1ek1 s LEU 150 CO -0.00 -0.46 0.64 -0.63 -1.32 0.00 0.00 176.35 174.57 1ek1 s ILE 151 N 1.43 4.77 -0.11 6.68 1.01 0.21 -5.02 121.20 130.17 1ek1 s ILE 151 Ca 0.02 -2.78 -0.02 0.00 0.00 0.00 0.00 60.65 57.88 1ek1 s ILE 151 Cb -0.22 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.23 1ek1 s ILE 151 CO 0.03 -0.97 -0.03 -1.61 0.00 0.00 0.00 174.94 172.35 1ek1 s GLU 152 N -0.05 3.16 0.19 2.79 2.02 -1.26 -2.16 118.70 123.39 1ek1 s GLU 152 Ca 0.18 -0.48 -0.14 0.00 0.02 0.00 0.00 54.97 54.55 1ek1 s GLU 152 Cb -0.14 -2.78 0.19 0.00 0.10 0.00 0.00 34.13 31.50 1ek1 s GLU 152 CO -0.07 0.53 1.66 0.66 0.02 0.00 0.00 175.26 178.07 1ek1 h SER 153 N 5.72 -0.34 0.04 -0.19 4.64 -1.60 0.46 113.55 122.29 1ek1 h SER 153 Ca -0.43 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1ek1 h SER 153 Cb 1.18 0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 1ek1 h SER 153 CO 0.57 -0.12 0.00 0.00 -0.87 0.00 0.00 176.83 176.41 1ek1 n GLN 155 N -1.43 0.00 0.00 0.00 1.13 0.12 -4.01 117.38 113.18 1ek1 n GLN 155 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1ek1 n GLN 155 Cb 0.02 -0.31 0.00 0.00 0.11 0.00 0.00 30.24 30.06 1ek1 n GLN 155 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 1ek1 n VAL 156 N -2.18 0.00 0.00 5.09 0.24 -0.99 -4.79 118.33 115.71 1ek1 n VAL 156 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1ek1 n VAL 156 Cb 0.00 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.23 1ek1 n VAL 156 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ek1 n GLY 157 N 0.23 0.00 3.57 7.63 0.00 -1.08 -4.90 105.19 110.64 1ek1 n GLY 157 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1ek1 n GLY 157 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ek1 s MET 158 N 0.00 3.80 0.88 1.61 -1.94 -1.25 -4.62 119.30 117.77 1ek1 s MET 158 Ca 0.00 -0.33 -0.13 0.00 -1.71 0.00 0.00 55.69 53.51 1ek1 s MET 158 Cb 0.00 -3.72 0.13 0.00 2.01 0.00 0.00 34.83 33.25 1ek1 s MET 158 CO 0.00 -0.32 1.22 0.96 -0.01 0.00 0.00 175.02 176.87 1ek1 s ILE 159 N 1.86 1.99 -0.14 2.53 -5.25 -1.26 -4.52 121.20 116.41 1ek1 s ILE 159 Ca 0.09 0.00 -0.10 0.00 -0.99 0.00 0.00 60.65 59.65 1ek1 s ILE 159 Cb -0.16 -2.96 -0.05 0.00 2.95 0.00 0.00 42.46 42.24 1ek1 s ILE 159 CO 0.11 0.00 0.20 -0.54 -1.79 0.00 0.00 174.94 172.91 1ek1 s LYS 160 N -5.64 3.90 -0.61 0.37 1.02 -1.26 -1.84 119.74 115.69 1ek1 s LYS 160 Ca 0.66 -0.06 -0.00 0.00 0.02 0.00 0.00 55.97 56.59 1ek1 s LYS 160 Cb -0.09 -3.32 0.51 0.00 -0.52 0.00 0.00 37.83 34.41 1ek1 s LYS 160 CO 0.51 0.50 2.00 -0.35 -0.92 0.00 0.00 175.35 177.09 1ek1 n PRO 161 N 2.80 2.57 -2.18 -1.68 -0.04 -1.26 -4.99 135.00 130.21 1ek1 n PRO 161 Ca -0.16 -3.22 -0.43 0.00 -0.04 0.00 0.00 63.50 59.65 1ek1 n PRO 161 Cb 0.53 -2.26 -0.02 0.00 -0.04 0.00 0.00 33.50 31.71 1ek1 n PRO 161 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ek1 s GLU 162 N -3.68 4.16 0.14 0.54 2.02 -0.77 -4.84 118.70 116.29 1ek1 s GLU 162 Ca 0.63 1.93 0.00 0.00 0.02 0.00 0.00 54.97 57.55 1ek1 s GLU 162 Cb 0.50 -3.91 0.00 0.00 0.10 0.00 0.00 34.13 30.82 1ek1 s GLU 162 CO 0.02 -0.84 0.47 -2.30 0.02 0.00 0.00 175.26 172.63 1ek1 n PRO 163 N 6.99 0.01 0.00 0.39 -0.02 -1.26 -3.04 135.00 138.06 1ek1 n PRO 163 Ca 0.16 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1ek1 n PRO 163 Cb 0.44 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 1ek1 n PRO 163 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1ek1 n GLN 164 N -1.09 0.00 -0.32 -0.52 1.13 -1.26 -2.60 117.38 112.73 1ek1 n GLN 164 Ca 0.00 0.41 0.24 0.00 -1.94 0.00 0.00 57.00 55.70 1ek1 n GLN 164 Cb 0.47 -1.13 0.45 0.00 0.11 0.00 0.00 30.24 30.13 1ek1 n GLN 164 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1ek1 n ILE 165 N -1.25 -0.41 0.20 5.09 5.41 -1.17 0.47 119.36 127.70 1ek1 n ILE 165 Ca 0.00 2.03 -0.15 0.00 1.00 0.00 0.00 62.75 65.64 1ek1 n ILE 165 Cb 0.00 -3.15 -0.08 0.00 -0.71 0.00 0.00 39.64 35.70 1ek1 n ILE 165 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 1ek1 h TYR 166 N 0.00 -0.42 -0.76 1.39 -1.99 -1.77 2.09 116.97 115.51 1ek1 h TYR 166 Ca 0.72 -0.01 -0.06 0.00 2.00 0.00 0.00 58.73 61.38 1ek1 h TYR 166 Cb 1.75 0.14 -0.03 0.00 2.00 0.00 0.00 36.73 40.59 1ek1 h TYR 166 CO -0.22 -0.20 0.25 -0.91 -0.00 0.00 0.00 178.16 177.08 1ek1 h ASN 167 N -0.55 1.10 -0.61 3.88 2.35 -0.69 0.28 115.58 121.34 1ek1 h ASN 167 Ca -0.05 -0.20 0.01 0.00 -0.55 0.00 0.00 56.30 55.51 1ek1 h ASN 167 Cb 0.41 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 1ek1 h ASN 167 CO 0.08 1.01 0.40 0.15 -1.65 0.00 0.00 177.43 177.41 1ek1 h PHE 168 N 1.13 0.76 0.33 1.19 3.57 0.42 0.92 116.94 125.26 1ek1 h PHE 168 Ca 0.25 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 1ek1 h PHE 168 Cb 0.29 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1ek1 h PHE 168 CO 0.03 0.47 -0.16 1.25 -2.23 0.00 0.00 178.31 177.67 1ek1 h LEU 169 N 0.81 -0.38 -1.45 0.59 6.46 0.40 0.23 115.31 121.98 1ek1 h LEU 169 Ca 0.23 0.01 0.40 0.00 -0.12 0.00 0.00 57.88 58.40 1ek1 h LEU 169 Cb -0.08 0.10 -0.12 0.00 -0.73 0.00 0.00 40.66 39.83 1ek1 h LEU 169 CO -0.06 -0.27 0.84 -0.07 -0.62 0.00 0.00 178.44 178.26 1ek1 h LEU 170 N -0.45 0.26 0.31 2.25 3.38 -0.84 0.65 115.31 120.88 1ek1 h LEU 170 Ca -0.05 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1ek1 h LEU 170 Cb 0.34 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1ek1 h LEU 170 CO 0.07 -0.11 -0.15 0.44 0.09 0.00 0.00 178.44 178.78 1ek1 h ASP 171 N 0.14 -0.36 -0.88 -0.43 3.32 -0.55 1.15 116.42 118.83 1ek1 h ASP 171 Ca 0.77 -0.18 0.22 0.00 0.02 0.00 0.00 57.03 57.85 1ek1 h ASP 171 Cb 2.39 0.09 -0.16 0.00 0.22 0.00 0.00 39.33 41.87 1ek1 h ASP 171 CO -0.36 0.05 0.01 0.74 -1.72 0.00 0.00 179.24 177.96 1ek1 h THR 172 N -0.83 0.19 0.01 0.35 2.02 0.37 -1.38 112.91 113.63 1ek1 h THR 172 Ca -0.04 -0.02 -0.34 0.00 0.77 0.00 0.00 66.41 66.77 1ek1 h THR 172 Cb 0.52 0.11 -0.06 0.00 -1.74 0.00 0.00 68.15 66.99 1ek1 h THR 172 CO 0.07 0.01 -2.09 0.00 0.37 0.00 0.00 175.52 173.89 1ek1 n LEU 173 N -5.41 0.77 -1.51 2.58 -0.00 -0.78 -5.05 117.00 107.59 1ek1 n LEU 173 Ca 0.18 0.18 -0.00 0.00 -0.00 0.00 0.00 56.01 56.37 1ek1 n LEU 173 Cb 0.60 0.14 0.00 0.00 -0.00 0.00 0.00 43.42 44.17 1ek1 n LEU 173 CO -0.01 0.51 -0.00 0.29 -0.00 0.00 0.00 177.39 178.18 1ek1 n LYS 174 N -2.96 -0.03 -3.67 1.47 4.01 0.39 -5.10 118.16 112.26 1ek1 n LYS 174 Ca -0.27 0.52 -0.10 0.00 -0.51 0.00 0.00 58.31 57.95 1ek1 n LYS 174 Cb 1.09 -1.35 -0.03 0.00 -0.51 0.00 0.00 35.03 34.24 1ek1 n LYS 174 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ek1 s ALA 175 N -0.62 -1.20 0.23 7.82 0.00 -0.73 -5.02 121.76 122.25 1ek1 s ALA 175 Ca 0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 51.96 51.69 1ek1 s ALA 175 Cb -0.00 0.86 -0.09 0.00 0.00 0.00 0.00 23.12 23.89 1ek1 s ALA 175 CO 0.01 -0.85 0.83 0.21 0.00 0.00 0.00 175.76 175.96 1ek1 s LYS 176 N -3.85 4.52 0.51 0.00 2.47 -1.26 -4.77 119.74 117.37 1ek1 s LYS 176 Ca 0.07 1.17 0.41 0.00 -1.56 0.00 0.00 55.97 56.05 1ek1 s LYS 176 Cb -0.02 -3.03 1.60 0.00 -1.46 0.00 0.00 37.83 34.92 1ek1 s LYS 176 CO -0.04 0.44 1.62 -1.35 0.16 0.00 0.00 175.35 176.18 1ek1 h PRO 177 N 3.73 0.03 0.20 4.03 0.11 -1.91 -2.47 132.00 135.72 1ek1 h PRO 177 Ca -0.47 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1ek1 h PRO 177 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ek1 h PRO 177 CO 0.66 0.02 -0.10 -2.95 -0.21 0.00 0.00 178.00 175.42 1ek1 h ASN 178 N 0.03 -0.23 0.00 -2.05 7.08 -1.75 -2.75 115.58 115.91 1ek1 h ASN 178 Ca 0.85 0.01 -0.06 0.00 -3.08 0.00 0.00 56.30 54.01 1ek1 h ASN 178 Cb 3.13 0.06 -0.02 0.00 -2.08 0.00 0.00 38.32 39.41 1ek1 h ASN 178 CO -0.17 -0.09 -0.01 -1.84 -2.08 0.00 0.00 177.43 173.23 1ek1 n GLU 179 N -3.14 0.92 -3.60 4.14 0.28 -0.93 -4.02 120.64 114.28 1ek1 n GLU 179 Ca -0.03 -0.33 -0.04 0.00 -0.16 0.00 0.00 57.16 56.59 1ek1 n GLU 179 Cb 0.11 -1.53 -0.06 0.00 1.43 0.00 0.00 31.44 31.38 1ek1 n GLU 179 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1ek1 s VAL 180 N 1.38 -0.83 0.20 3.84 -7.23 -1.25 -0.23 120.40 116.30 1ek1 s VAL 180 Ca 0.22 0.07 -0.00 0.00 -1.81 0.00 0.00 61.98 60.46 1ek1 s VAL 180 Cb 0.11 -0.85 -0.04 0.00 0.56 0.00 0.00 36.38 36.16 1ek1 s VAL 180 CO 0.00 0.02 0.39 0.54 -0.31 0.00 0.00 175.10 175.74 1ek1 s VAL 181 N 2.75 5.21 0.04 1.32 0.11 0.59 -3.38 120.40 127.04 1ek1 s VAL 181 Ca -0.01 -0.40 -0.00 0.00 -2.93 0.00 0.00 61.98 58.63 1ek1 s VAL 181 Cb -0.12 -3.74 -0.03 0.00 -1.53 0.00 0.00 36.38 30.95 1ek1 s VAL 181 CO -0.16 -0.18 -0.04 0.12 -3.33 0.00 0.00 175.10 171.50 1ek1 s PHE 182 N -1.88 0.46 -0.25 1.54 5.36 0.16 0.18 117.98 123.55 1ek1 s PHE 182 Ca 0.38 -0.78 -0.14 0.00 -0.96 0.00 0.00 56.93 55.43 1ek1 s PHE 182 Cb -0.11 -0.32 0.08 0.00 -0.34 0.00 0.00 43.02 42.33 1ek1 s PHE 182 CO 0.29 -0.25 0.61 -0.48 -1.46 0.00 0.00 175.22 173.92 1ek1 s LEU 183 N -2.21 -0.72 0.02 6.12 0.05 -0.74 -0.44 118.68 120.76 1ek1 s LEU 183 Ca -0.04 1.34 0.04 0.00 0.05 0.00 0.00 54.13 55.52 1ek1 s LEU 183 Cb -0.01 2.08 -0.02 0.00 -2.05 0.00 0.00 46.19 46.19 1ek1 s LEU 183 CO -0.05 -0.23 -0.11 -0.62 -0.55 0.00 0.00 176.35 174.80 1ek1 s ASP 184 N 1.66 1.27 0.43 1.48 -1.08 -1.01 -1.62 116.67 117.79 1ek1 s ASP 184 Ca -0.10 -0.36 0.30 0.00 -0.52 0.00 0.00 52.55 51.87 1ek1 s ASP 184 Cb -0.06 -0.08 1.47 0.00 -1.46 0.00 0.00 42.92 42.78 1ek1 s ASP 184 CO -0.18 0.02 1.90 -2.24 0.52 0.00 0.00 175.17 175.19 1ek1 h ASP 185 N 5.23 0.00 0.17 -0.34 2.03 -1.77 -3.19 116.42 118.56 1ek1 h ASP 185 Ca -0.35 0.00 -0.36 0.00 -0.73 0.00 0.00 57.03 55.60 1ek1 h ASP 185 Cb 1.18 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.67 1ek1 h ASP 185 CO 0.45 0.00 -1.89 -0.26 -1.03 0.00 0.00 179.24 176.51 1ek1 h PHE 186 N 0.00 0.54 0.00 4.15 0.04 -1.87 -3.44 116.94 116.36 1ek1 h PHE 186 Ca 0.00 -0.40 0.00 0.00 2.80 0.00 0.00 57.97 60.37 1ek1 h PHE 186 Cb 0.16 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.29 1ek1 h PHE 186 CO 0.00 1.71 0.00 0.41 -0.60 0.00 0.00 178.31 179.83 1ek1 n GLY 187 N 1.93 0.82 0.00 -1.45 0.00 -1.20 -4.43 105.19 100.85 1ek1 n GLY 187 Ca -0.28 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.81 1ek1 n GLY 187 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ek1 n SER 188 N 0.64 0.00 -0.01 1.61 3.41 -1.26 -0.87 113.62 117.14 1ek1 n SER 188 Ca 0.00 0.33 0.11 0.00 -0.26 0.00 0.00 58.87 59.05 1ek1 n SER 188 Cb 0.00 -0.42 -0.16 0.00 -0.26 0.00 0.00 64.21 63.37 1ek1 n SER 188 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ek1 n ASN 189 N -1.42 0.20 -0.47 4.04 4.13 -1.26 -4.22 115.26 116.25 1ek1 n ASN 189 Ca 0.05 -0.05 0.11 0.00 1.68 0.00 0.00 54.58 56.37 1ek1 n ASN 189 Cb 0.16 1.92 0.44 0.00 -1.54 0.00 0.00 39.78 40.76 1ek1 n ASN 189 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1ek1 n LEU 190 N -2.20 1.43 0.46 3.41 4.77 -0.05 -4.13 117.00 120.71 1ek1 n LEU 190 Ca -0.03 -0.57 -0.19 0.00 -0.03 0.00 0.00 56.01 55.19 1ek1 n LEU 190 Cb 0.54 -0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.47 1ek1 n LEU 190 CO 0.44 0.29 0.53 0.11 -1.33 0.00 0.00 177.39 177.43 1ek1 h LYS 191 N 1.99 -1.16 -0.32 3.23 1.57 -1.72 -2.10 116.57 118.06 1ek1 h LYS 191 Ca 0.00 0.08 0.07 0.00 -1.87 0.00 0.00 60.65 58.93 1ek1 h LYS 191 Cb 0.43 0.26 -0.07 0.00 0.08 0.00 0.00 32.23 32.93 1ek1 h LYS 191 CO 0.00 -0.77 -0.15 -1.35 -0.57 0.00 0.00 179.45 176.61 1ek1 h PRO 192 N -1.20 -0.10 -0.55 3.15 0.11 -1.88 -1.10 132.00 130.43 1ek1 h PRO 192 Ca -0.12 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.02 1ek1 h PRO 192 Cb 0.93 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 1ek1 h PRO 192 CO 0.18 -0.06 0.37 0.00 -0.21 0.00 0.00 178.00 178.27 1ek1 h ALA 193 N 1.15 1.69 -0.07 -0.75 0.00 -1.78 0.23 119.26 119.74 1ek1 h ALA 193 Ca 0.16 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 1ek1 h ALA 193 Cb 0.35 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ek1 h ALA 193 CO -0.39 0.25 -0.75 -0.09 0.00 0.00 0.00 179.25 178.28 1ek1 h ARG 194 N 0.66 0.39 0.00 0.00 1.12 -0.97 0.54 114.38 116.13 1ek1 h ARG 194 Ca 0.22 -0.33 0.00 0.00 -1.11 0.00 0.00 59.98 58.76 1ek1 h ARG 194 Cb 0.05 0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.08 1ek1 h ARG 194 CO -0.06 0.97 0.00 -0.25 -3.11 0.00 0.00 179.97 177.53 1ek1 n ASP 195 N -3.82 0.00 -0.32 -3.80 9.92 0.56 -2.80 116.55 116.29 1ek1 n ASP 195 Ca -0.04 0.75 -0.00 0.00 -0.53 0.00 0.00 54.79 54.97 1ek1 n ASP 195 Cb 0.72 -0.25 0.05 0.00 -0.64 0.00 0.00 41.12 40.99 1ek1 n ASP 195 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1ek1 n MET 196 N -1.39 -0.18 0.00 -1.24 2.81 0.21 -4.77 117.12 112.56 1ek1 n MET 196 Ca 0.00 1.30 0.00 0.00 -1.81 0.00 0.00 57.70 57.19 1ek1 n MET 196 Cb 0.00 -1.94 0.00 0.00 -0.71 0.00 0.00 33.22 30.57 1ek1 n MET 196 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ek1 n GLY 197 N -1.42 0.42 3.68 3.03 0.00 -1.04 -4.90 105.19 104.97 1ek1 n GLY 197 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 1ek1 n GLY 197 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ek1 s MET 198 N 0.00 2.48 -0.32 1.61 -1.94 0.19 -2.01 119.30 119.31 1ek1 s MET 198 Ca 0.00 -1.02 -0.29 0.00 -1.71 0.00 0.00 55.69 52.67 1ek1 s MET 198 Cb 0.00 -2.43 -0.01 0.00 2.01 0.00 0.00 34.83 34.40 1ek1 s MET 198 CO 0.00 0.48 1.65 0.08 -0.01 0.00 0.00 175.02 177.22 1ek1 s VAL 199 N -1.63 3.64 0.51 -6.03 1.01 -1.22 -4.31 120.40 112.38 1ek1 s VAL 199 Ca 0.27 0.67 -0.04 0.00 0.00 0.00 0.00 61.98 62.88 1ek1 s VAL 199 Cb -0.10 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 1ek1 s VAL 199 CO 0.19 -0.46 0.81 0.42 0.00 0.00 0.00 175.10 176.05 1ek1 s THR 200 N 6.06 4.29 -0.28 3.92 -4.23 -1.26 0.39 115.64 124.54 1ek1 s THR 200 Ca 0.73 -0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 61.06 1ek1 s THR 200 Cb -0.21 -3.65 0.08 0.00 1.34 0.00 0.00 72.50 70.06 1ek1 s THR 200 CO 0.32 -0.61 0.70 -0.63 -0.54 0.00 0.00 174.62 173.86 1ek1 s ILE 201 N -2.80 0.00 0.00 2.99 -1.09 0.42 -4.79 121.20 115.92 1ek1 s ILE 201 Ca 0.50 0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.92 1ek1 s ILE 201 Cb -0.10 -1.00 0.00 0.00 -1.58 0.00 0.00 42.46 39.78 1ek1 s ILE 201 CO 0.44 0.00 0.00 -0.11 -1.23 0.00 0.00 174.94 174.04 1ek1 n LEU 202 N 3.96 0.00 0.00 2.97 0.00 -1.26 -2.42 117.00 120.25 1ek1 n LEU 202 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.82 1ek1 n LEU 202 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.00 1ek1 n LEU 202 CO -0.01 0.00 0.00 0.52 0.00 0.00 0.00 177.39 177.90 1ek1 n VAL 203 N 0.00 0.00 1.10 1.96 0.31 -1.26 -2.50 118.33 117.94 1ek1 n VAL 203 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 1ek1 n VAL 203 Cb 0.00 0.00 0.36 0.00 -0.91 0.00 0.00 33.84 33.29 1ek1 n VAL 203 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1ek1 n HIS 204 N 0.00 0.00 0.00 3.52 -0.00 -1.26 -4.42 115.22 113.06 1ek1 n HIS 204 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1ek1 n HIS 204 Cb 0.00 -0.24 0.00 0.00 -0.12 0.00 0.00 29.99 29.63 1ek1 n HIS 204 CO 0.00 0.00 0.00 0.27 0.46 0.00 0.00 176.34 177.07 1ek1 n ASN 205 N -1.25 0.00 -0.48 0.26 2.04 -1.26 -5.02 115.26 109.55 1ek1 n ASN 205 Ca 0.08 0.00 -0.00 0.00 -0.44 0.00 0.00 54.58 54.22 1ek1 n ASN 205 Cb 0.33 0.00 -0.00 0.00 -2.53 0.00 0.00 39.78 37.58 1ek1 n ASN 205 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 1ek1 n THR 206 N 0.00 0.00 0.00 5.53 -2.24 -1.26 -5.08 114.28 111.23 1ek1 n THR 206 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ek1 n THR 206 Cb 0.00 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 1ek1 n THR 206 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ek1 n ALA 207 N 0.00 0.00 -0.43 6.98 0.00 -1.26 -4.88 120.51 120.92 1ek1 n ALA 207 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ek1 n ALA 207 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1ek1 n ALA 207 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ek1 n SER 208 N 0.00 0.00 0.28 0.00 2.88 -1.26 -1.73 113.62 113.79 1ek1 n SER 208 Ca 0.00 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.72 1ek1 n SER 208 Cb 0.00 0.00 0.94 0.00 -0.75 0.00 0.00 64.21 64.40 1ek1 n SER 208 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ek1 h ALA 209 N -0.43 1.47 -2.81 -1.46 0.00 -2.00 0.41 119.26 114.44 1ek1 h ALA 209 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ek1 h ALA 209 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ek1 h ALA 209 CO 0.00 -0.21 0.00 -0.11 0.00 0.00 0.00 179.25 178.93 1ek1 n LEU 210 N -3.40 0.00 0.25 0.00 0.00 -0.70 0.27 117.00 113.42 1ek1 n LEU 210 Ca -0.01 0.53 -0.13 0.00 0.00 0.00 0.00 56.01 56.40 1ek1 n LEU 210 Cb 0.26 -0.03 -0.07 0.00 0.00 0.00 0.00 43.42 43.58 1ek1 n LEU 210 CO 0.22 -0.03 0.52 0.08 0.00 0.00 0.00 177.39 178.18 1ek1 h ARG 211 N 0.00 -0.75 0.00 1.96 0.11 -1.62 0.37 114.38 114.45 1ek1 h ARG 211 Ca 0.00 0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.13 1ek1 h ARG 211 Cb 0.00 0.17 0.00 0.00 1.11 0.00 0.00 29.97 31.25 1ek1 h ARG 211 CO 0.00 -0.50 0.00 0.39 0.10 0.00 0.00 179.97 179.96 1ek1 n GLU 212 N -4.57 0.00 -0.18 0.08 -0.58 0.14 0.23 120.64 115.76 1ek1 n GLU 212 Ca -0.09 0.21 0.21 0.00 -0.42 0.00 0.00 57.16 57.06 1ek1 n GLU 212 Cb 0.34 -0.76 0.58 0.00 -0.57 0.00 0.00 31.44 31.04 1ek1 n GLU 212 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1ek1 h LEU 213 N 0.00 0.25 -0.53 -4.62 7.12 0.37 0.75 115.31 118.66 1ek1 h LEU 213 Ca 0.00 0.02 -0.02 0.00 0.13 0.00 0.00 57.88 58.02 1ek1 h LEU 213 Cb 0.00 -0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 40.10 1ek1 h LEU 213 CO 0.00 0.11 -0.08 -0.08 -0.13 0.00 0.00 178.44 178.26 1ek1 h GLU 214 N 0.26 0.00 0.00 1.25 4.81 0.15 -2.41 114.58 118.64 1ek1 h GLU 214 Ca 0.41 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 1ek1 h GLU 214 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1ek1 h GLU 214 CO -0.10 0.08 0.00 0.87 -0.73 0.00 0.00 179.01 179.13 1ek1 h LYS 215 N 0.00 0.00 0.62 1.92 1.57 0.97 -0.08 116.57 121.57 1ek1 h LYS 215 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1ek1 h LYS 215 Cb 0.88 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.19 1ek1 h LYS 215 CO 0.01 0.00 -0.30 0.28 -0.57 0.00 0.00 179.45 178.87 1ek1 h VAL 216 N 0.00 0.39 0.00 0.50 2.07 -1.39 -3.20 116.25 114.62 1ek1 h VAL 216 Ca 0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1ek1 h VAL 216 Cb 0.05 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1ek1 h VAL 216 CO 0.00 0.00 0.00 0.35 0.02 0.00 0.00 177.57 177.94 1ek1 n THR 217 N -5.45 0.00 0.00 2.57 -2.24 -0.04 -3.98 114.28 105.14 1ek1 n THR 217 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1ek1 n THR 217 Cb 0.34 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1ek1 n THR 217 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ek1 n GLY 218 N 0.00 -0.17 3.18 3.38 0.00 -1.26 -5.11 105.19 105.20 1ek1 n GLY 218 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1ek1 n GLY 218 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ek1 s THR 219 N 0.00 0.09 0.91 2.61 -4.23 -1.25 -5.03 115.64 108.74 1ek1 s THR 219 Ca 0.00 -1.95 -0.15 0.00 -1.18 0.00 0.00 61.69 58.41 1ek1 s THR 219 Cb 0.00 -2.24 0.23 0.00 1.34 0.00 0.00 72.50 71.83 1ek1 s THR 219 CO 0.00 -0.27 0.65 0.00 -0.54 0.00 0.00 174.62 174.45 1ek1 n GLN 220 N -0.17 -3.27 -4.04 3.99 0.00 -1.21 -4.86 117.38 107.82 1ek1 n GLN 220 Ca -0.02 -1.06 -0.08 0.00 0.00 0.00 0.00 57.00 55.83 1ek1 n GLN 220 Cb 0.65 -1.19 -0.09 0.00 0.00 0.00 0.00 30.24 29.61 1ek1 n GLN 220 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 1ek1 s PHE 221 N -2.00 0.48 0.00 2.61 -0.71 -1.26 -5.05 117.98 112.05 1ek1 s PHE 221 Ca 0.46 -0.96 0.00 0.00 -1.04 0.00 0.00 56.93 55.39 1ek1 s PHE 221 Cb -0.06 -0.30 0.00 0.00 -1.21 0.00 0.00 43.02 41.44 1ek1 s PHE 221 CO 0.37 -0.47 0.00 -0.35 -1.34 0.00 0.00 175.22 173.43 1ek1 n PRO 222 N 0.01 0.58 0.00 1.99 -0.04 -1.26 -5.09 135.00 131.19 1ek1 n PRO 222 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1ek1 n PRO 222 Cb 0.62 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 1ek1 n PRO 222 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1ek1 n GLU 223 N -0.32 2.46 -3.71 0.54 0.28 -1.26 -4.94 120.64 113.69 1ek1 n GLU 223 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.70 1ek1 n GLU 223 Cb 0.00 -0.78 -0.13 0.00 1.43 0.00 0.00 31.44 31.96 1ek1 n GLU 223 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ek1 s ALA 224 N -1.32 1.96 0.55 -1.84 0.00 -1.26 -5.13 121.76 114.73 1ek1 s ALA 224 Ca 0.00 -2.35 -0.09 0.00 0.00 0.00 0.00 51.96 49.52 1ek1 s ALA 224 Cb 0.00 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 1ek1 s ALA 224 CO 0.00 -1.97 0.92 -1.25 0.00 0.00 0.00 175.76 173.45 1ek1 s PRO 225 N 0.69 3.60 0.73 0.00 0.04 -1.26 -5.08 135.00 133.72 1ek1 s PRO 225 Ca 0.16 0.53 -0.11 0.00 0.04 0.00 0.00 61.00 61.61 1ek1 s PRO 225 Cb -0.23 -2.22 0.03 0.00 0.04 0.00 0.00 34.50 32.12 1ek1 s PRO 225 CO -0.05 -0.38 1.10 -0.51 0.04 0.00 0.00 177.00 177.20 1ek1 s LEU 226 N -4.88 2.82 0.97 -3.56 1.02 -1.26 -4.97 118.68 108.82 1ek1 s LEU 226 Ca 0.52 1.16 -0.12 0.00 0.02 0.00 0.00 54.13 55.71 1ek1 s LEU 226 Cb -0.11 -3.91 0.17 0.00 0.02 0.00 0.00 46.19 42.37 1ek1 s LEU 226 CO 0.48 -1.51 1.10 -2.16 0.02 0.00 0.00 176.35 174.28 1ek1 s PRO 227 N -5.32 0.68 0.35 1.29 0.04 -1.26 -4.91 135.00 125.87 1ek1 s PRO 227 Ca 0.59 0.52 -0.27 0.00 0.04 0.00 0.00 61.00 61.87 1ek1 s PRO 227 Cb -0.12 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 1ek1 s PRO 227 CO 0.52 -2.56 1.19 0.14 0.04 0.00 0.00 177.00 176.33 1ek1 s VAL 228 N -3.02 3.11 0.00 -0.36 -7.23 -1.26 -5.04 120.40 106.60 1ek1 s VAL 228 Ca 0.65 1.04 0.00 0.00 -1.81 0.00 0.00 61.98 61.85 1ek1 s VAL 228 Cb -0.18 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 33.13 1ek1 s VAL 228 CO 0.57 0.19 0.00 -0.81 -0.31 0.00 0.00 175.10 174.73 1ek1 n PRO 229 N 0.60 0.00 0.00 4.82 -0.04 -1.26 -4.65 135.00 134.47 1ek1 n PRO 229 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1ek1 n PRO 229 Cb 0.45 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 1ek1 n PRO 229 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ek1 n ASN 231 N 0.00 0.00 -0.56 0.00 2.04 -1.26 -4.93 115.26 110.55 1ek1 n ASN 231 Ca 0.00 0.00 0.01 0.00 -0.44 0.00 0.00 54.58 54.15 1ek1 n ASN 231 Cb 0.00 0.00 0.01 0.00 -2.53 0.00 0.00 39.78 37.26 1ek1 n ASN 231 CO 0.00 0.00 0.00 -0.81 -0.44 0.00 0.00 177.26 176.01 1ek1 n PRO 232 N -1.06 0.11 -0.03 -0.53 -0.04 -1.26 -4.17 135.00 128.01 1ek1 n PRO 232 Ca 0.00 -1.23 0.00 0.00 -0.04 0.00 0.00 63.50 62.23 1ek1 n PRO 232 Cb 0.00 -0.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 1ek1 n PRO 232 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1ek1 n ASN 233 N -0.07 0.00 -1.78 3.54 0.23 -1.26 -4.72 115.26 111.19 1ek1 n ASN 233 Ca 0.02 -1.02 -0.02 0.00 -0.53 0.00 0.00 54.58 53.03 1ek1 n ASN 233 Cb 0.74 -0.00 0.31 0.00 -2.08 0.00 0.00 39.78 38.74 1ek1 n ASN 233 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1ek1 n ASP 234 N 0.00 4.69 -4.33 0.53 9.92 -1.26 -4.94 116.55 121.17 1ek1 n ASP 234 Ca 0.00 -3.20 -0.27 0.00 -0.53 0.00 0.00 54.79 50.79 1ek1 n ASP 234 Cb 0.50 -0.70 -0.13 0.00 -0.64 0.00 0.00 41.12 40.14 1ek1 n ASP 234 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1ek1 s VAL 235 N -2.96 1.97 0.42 2.53 -7.23 -1.26 -4.91 120.40 108.96 1ek1 s VAL 235 Ca 0.53 -1.52 -0.25 0.00 -1.81 0.00 0.00 61.98 58.93 1ek1 s VAL 235 Cb 0.42 -1.74 -0.08 0.00 0.56 0.00 0.00 36.38 35.54 1ek1 s VAL 235 CO 0.12 0.13 1.21 -0.55 -0.31 0.00 0.00 175.10 175.70 1ek1 s SER 236 N -1.69 6.33 -0.67 4.85 0.15 -1.24 -4.97 113.70 116.46 1ek1 s SER 236 Ca 0.10 2.44 0.06 0.00 0.70 0.00 0.00 55.95 59.25 1ek1 s SER 236 Cb -0.10 -2.62 0.21 0.00 -1.71 0.00 0.00 66.02 61.81 1ek1 s SER 236 CO 0.04 -0.82 0.64 1.41 1.20 0.00 0.00 173.24 175.71 1ek1 n HIS 237 N -0.08 3.47 -0.76 3.44 8.25 -1.26 -3.11 115.22 125.16 1ek1 n HIS 237 Ca 0.05 -4.22 -0.32 0.00 -0.26 0.00 0.00 57.72 52.97 1ek1 n HIS 237 Cb 0.46 -0.59 0.16 0.00 1.12 0.00 0.00 29.99 31.14 1ek1 n HIS 237 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ek1 n GLY 238 N 1.33 -0.36 2.45 -1.41 0.00 -1.07 -4.86 105.19 101.26 1ek1 n GLY 238 Ca 0.26 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 1ek1 n GLY 238 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ek1 n TYR 239 N -4.05 -1.34 -1.82 1.61 4.02 -1.26 -2.85 117.16 111.48 1ek1 n TYR 239 Ca 0.12 -2.98 -0.40 0.00 -0.01 0.00 0.00 57.90 54.63 1ek1 n TYR 239 Cb 0.52 0.56 0.01 0.00 -0.02 0.00 0.00 39.34 40.41 1ek1 n TYR 239 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1ek1 s VAL 240 N -1.04 2.10 -0.32 -0.72 1.01 -1.10 -4.75 120.40 115.58 1ek1 s VAL 240 Ca 0.32 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.42 1ek1 s VAL 240 Cb 0.31 -3.06 0.09 0.00 0.00 0.00 0.00 36.38 33.72 1ek1 s VAL 240 CO -0.08 0.02 0.02 -0.89 0.00 0.00 0.00 175.10 174.17 1ek1 s THR 241 N -1.18 2.11 0.00 3.92 2.01 -1.26 0.06 115.64 121.30 1ek1 s THR 241 Ca 0.58 -2.09 0.00 0.00 0.31 0.00 0.00 61.69 60.49 1ek1 s THR 241 Cb -0.44 -2.49 0.00 0.00 0.01 0.00 0.00 72.50 69.58 1ek1 s THR 241 CO 0.58 -0.48 0.35 1.33 -0.69 0.00 0.00 174.62 175.71 1ek1 n VAL 242 N 4.35 0.00 -3.04 3.82 0.24 -0.78 -4.93 118.33 118.00 1ek1 n VAL 242 Ca -0.01 0.84 -0.20 0.00 -2.04 0.00 0.00 64.34 62.93 1ek1 n VAL 242 Cb 0.42 -1.82 0.01 0.00 -1.47 0.00 0.00 33.84 30.98 1ek1 n VAL 242 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1ek1 s LYS 243 N -1.67 2.90 0.00 7.34 1.02 -1.18 -5.00 119.74 123.16 1ek1 s LYS 243 Ca 0.00 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.13 1ek1 s LYS 243 Cb 0.00 -2.65 0.00 0.00 -0.52 0.00 0.00 37.83 34.66 1ek1 s LYS 243 CO 0.00 -0.29 0.54 -2.30 -0.92 0.00 0.00 175.35 172.38 1ek1 n PRO 244 N -1.98 0.00 0.00 -1.68 -0.02 -1.26 -2.10 135.00 127.96 1ek1 n PRO 244 Ca 0.04 0.49 0.10 0.00 -2.02 0.00 0.00 63.50 62.11 1ek1 n PRO 244 Cb 0.59 -1.04 0.51 0.00 -0.02 0.00 0.00 33.50 33.54 1ek1 n PRO 244 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ek1 n GLY 245 N -0.96 -0.93 3.49 -1.23 0.00 -1.26 -4.76 105.19 99.53 1ek1 n GLY 245 Ca 0.00 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 1ek1 n GLY 245 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ek1 s ILE 246 N -2.54 4.64 0.18 -0.61 1.09 -0.89 -4.88 121.20 118.20 1ek1 s ILE 246 Ca 0.20 -0.10 0.11 0.00 -1.10 0.00 0.00 60.65 59.76 1ek1 s ILE 246 Cb 0.14 -3.21 -0.04 0.00 -1.06 0.00 0.00 42.46 38.29 1ek1 s ILE 246 CO 0.30 0.28 -0.25 -0.60 -0.10 0.00 0.00 174.94 174.58 1ek1 s ARG 247 N 1.66 1.49 -0.19 2.79 3.00 -1.26 -1.86 118.95 124.57 1ek1 s ARG 247 Ca 0.06 -1.49 0.01 0.00 -1.00 0.00 0.00 55.73 53.32 1ek1 s ARG 247 Cb -0.16 -1.86 0.03 0.00 0.00 0.00 0.00 34.95 32.97 1ek1 s ARG 247 CO 0.06 0.41 -0.15 -1.17 0.00 0.00 0.00 175.30 174.45 1ek1 s LEU 248 N -2.53 2.35 0.45 -0.88 1.98 0.11 -0.81 118.68 119.35 1ek1 s LEU 248 Ca 0.19 -0.82 -0.03 0.00 -2.89 0.00 0.00 54.13 50.58 1ek1 s LEU 248 Cb -0.08 -1.40 -0.02 0.00 0.66 0.00 0.00 46.19 45.35 1ek1 s LEU 248 CO 0.09 -0.08 0.71 -2.28 -1.89 0.00 0.00 176.35 172.91 1ek1 s HIS 249 N 1.30 3.43 0.14 5.38 5.65 -1.26 -2.72 115.29 127.22 1ek1 s HIS 249 Ca 0.01 0.55 -0.24 0.00 0.25 0.00 0.00 55.06 55.63 1ek1 s HIS 249 Cb -0.15 -2.26 0.08 0.00 -1.18 0.00 0.00 32.58 29.08 1ek1 s HIS 249 CO -0.10 -0.26 1.08 -0.59 -0.65 0.00 0.00 174.74 174.22 1ek1 s PHE 250 N -2.62 0.04 0.10 3.88 -0.71 -1.13 -2.15 117.98 115.39 1ek1 s PHE 250 Ca 0.46 -0.37 0.07 0.00 -1.04 0.00 0.00 56.93 56.05 1ek1 s PHE 250 Cb -0.10 0.67 -0.03 0.00 -1.21 0.00 0.00 43.02 42.34 1ek1 s PHE 250 CO 0.41 -0.78 -0.17 0.08 -1.34 0.00 0.00 175.22 173.42 1ek1 s VAL 251 N -2.26 1.46 -0.03 -2.49 1.01 -0.68 -2.60 120.40 114.81 1ek1 s VAL 251 Ca 0.22 -1.55 0.03 0.00 0.00 0.00 0.00 61.98 60.67 1ek1 s VAL 251 Cb -0.02 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1ek1 s VAL 251 CO 0.04 -0.21 -0.10 -0.70 0.00 0.00 0.00 175.10 174.13 1ek1 s GLU 252 N -2.12 1.00 -0.19 2.72 2.12 -1.18 -1.59 118.70 119.47 1ek1 s GLU 252 Ca 0.05 -0.33 -0.15 0.00 0.36 0.00 0.00 54.97 54.91 1ek1 s GLU 252 Cb -0.08 -0.93 0.05 0.00 0.26 0.00 0.00 34.13 33.43 1ek1 s GLU 252 CO 0.04 0.13 0.49 -1.64 -0.54 0.00 0.00 175.26 173.74 1ek1 s MET 253 N 0.15 0.54 0.06 4.30 -1.94 -1.14 -3.73 119.30 117.54 1ek1 s MET 253 Ca -0.03 0.77 0.00 0.00 -1.71 0.00 0.00 55.69 54.72 1ek1 s MET 253 Cb -0.08 0.18 0.00 0.00 2.01 0.00 0.00 34.83 36.94 1ek1 s MET 253 CO 0.00 -0.10 0.00 0.41 -0.01 0.00 0.00 175.02 175.32 1ek1 n GLY 254 N 3.35 -2.45 3.67 -0.03 0.00 -1.26 -0.67 105.19 107.80 1ek1 n GLY 254 Ca -0.17 -1.43 -0.35 0.00 0.00 0.00 0.00 46.02 44.08 1ek1 n GLY 254 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ek1 s SER 255 N -4.64 5.62 0.00 1.61 0.15 -1.25 -4.16 113.70 111.02 1ek1 s SER 255 Ca 0.00 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.78 1ek1 s SER 255 Cb 0.00 -1.89 0.00 0.00 -1.71 0.00 0.00 66.02 62.42 1ek1 s SER 255 CO 0.00 0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1ek1 n GLY 256 N 3.12 0.00 3.79 9.45 0.00 -1.26 -3.67 105.19 116.61 1ek1 n GLY 256 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 1ek1 n GLY 256 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ek1 s PRO 257 N 0.00 1.26 0.14 1.61 0.04 -1.26 -4.30 135.00 132.49 1ek1 s PRO 257 Ca 0.00 0.35 -0.12 0.00 0.04 0.00 0.00 61.00 61.27 1ek1 s PRO 257 Cb 0.00 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.63 1ek1 s PRO 257 CO 0.00 -2.13 0.50 0.00 0.04 0.00 0.00 177.00 175.41 1ek1 s ALA 258 N -3.25 3.63 -0.13 8.56 0.00 -1.26 0.59 121.76 129.89 1ek1 s ALA 258 Ca 0.63 -0.25 -0.04 0.00 0.00 0.00 0.00 51.96 52.30 1ek1 s ALA 258 Cb -0.15 -2.41 0.06 0.00 0.00 0.00 0.00 23.12 20.62 1ek1 s ALA 258 CO 0.54 0.51 0.16 -0.48 0.00 0.00 0.00 175.76 176.48 1ek1 s LEU 259 N -2.15 0.02 -0.16 0.00 0.05 -0.62 -1.59 118.68 114.23 1ek1 s LEU 259 Ca 0.38 -0.05 -0.26 0.00 0.05 0.00 0.00 54.13 54.25 1ek1 s LEU 259 Cb -0.14 0.17 -0.01 0.00 -2.05 0.00 0.00 46.19 44.16 1ek1 s LEU 259 CO 0.19 -0.29 0.86 0.00 -0.55 0.00 0.00 176.35 176.57 1ek1 s LEU 261 N 2.15 6.10 -0.42 0.00 1.43 -1.20 -1.06 118.68 125.67 1ek1 s LEU 261 Ca 0.40 -2.20 -0.23 0.00 -1.03 0.00 0.00 54.13 51.07 1ek1 s LEU 261 Cb -0.17 -2.26 0.02 0.00 0.03 0.00 0.00 46.19 43.81 1ek1 s LEU 261 CO 0.13 -0.81 0.76 0.00 0.23 0.00 0.00 176.35 176.66 1ek1 s HIS 263 N 3.17 2.12 0.00 0.00 -3.43 -1.26 -2.81 115.29 113.08 1ek1 s HIS 263 Ca 0.29 0.91 0.00 0.00 -0.80 0.00 0.00 55.06 55.46 1ek1 s HIS 263 Cb -0.13 -3.32 0.00 0.00 -1.43 0.00 0.00 32.58 27.70 1ek1 s HIS 263 CO 0.20 -2.84 0.00 0.41 -2.00 0.00 0.00 174.74 170.52 1ek1 n GLY 264 N -1.41 5.14 3.78 -1.38 0.00 -1.22 -4.09 105.19 106.01 1ek1 n GLY 264 Ca 0.06 -2.14 -0.38 0.00 0.00 0.00 0.00 46.02 43.56 1ek1 n GLY 264 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ek1 s PHE 265 N -0.06 3.64 -0.95 1.61 2.19 -1.26 0.39 117.98 123.54 1ek1 s PHE 265 Ca 0.00 1.00 -0.03 0.00 0.33 0.00 0.00 56.93 58.24 1ek1 s PHE 265 Cb 0.00 -2.46 0.25 0.00 -1.31 0.00 0.00 43.02 39.50 1ek1 s PHE 265 CO 0.00 0.40 0.94 -0.35 1.83 0.00 0.00 175.22 178.04 1ek1 n PRO 266 N 2.70 3.05 0.00 10.12 -0.04 -1.26 -4.91 135.00 144.65 1ek1 n PRO 266 Ca -0.10 -4.50 0.00 0.00 -0.04 0.00 0.00 63.50 58.86 1ek1 n PRO 266 Cb 0.52 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 1ek1 n PRO 266 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ek1 n GLU 267 N 2.13 3.86 -4.03 0.54 1.02 0.16 -5.13 120.64 119.19 1ek1 n GLU 267 Ca 0.23 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.26 1ek1 n GLU 267 Cb 0.37 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.74 1ek1 n GLU 267 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1ek1 s SER 268 N 0.01 0.27 0.52 1.62 1.04 -1.26 -4.79 113.70 111.11 1ek1 s SER 268 Ca 0.00 -1.16 0.18 0.00 0.48 0.00 0.00 55.95 55.45 1ek1 s SER 268 Cb 0.00 0.62 1.32 0.00 0.10 0.00 0.00 66.02 68.05 1ek1 s SER 268 CO 0.00 -1.21 2.13 4.11 0.98 0.00 0.00 173.24 179.25 1ek1 h TRP 269 N 2.22 0.00 -1.23 5.02 5.08 -1.88 -2.58 115.95 122.57 1ek1 h TRP 269 Ca -0.28 0.00 0.35 0.00 1.08 0.00 0.00 58.89 60.04 1ek1 h TRP 269 Cb 1.25 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 27.35 1ek1 h TRP 269 CO 0.82 0.04 0.87 0.35 -1.28 0.00 0.00 178.44 179.24 1ek1 h PHE 270 N 0.00 0.11 -0.45 0.12 3.57 -1.92 -2.66 116.94 115.71 1ek1 h PHE 270 Ca -0.00 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1ek1 h PHE 270 Cb 0.08 -0.03 -0.10 0.00 2.79 0.00 0.00 35.95 38.69 1ek1 h PHE 270 CO 0.00 -0.00 -0.40 0.77 -2.23 0.00 0.00 178.31 176.45 1ek1 h SER 271 N 0.06 -1.35 0.00 0.41 0.02 -1.88 -0.15 113.55 110.66 1ek1 h SER 271 Ca 0.61 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.77 1ek1 h SER 271 Cb 2.29 0.61 0.00 0.00 0.14 0.00 0.00 62.40 65.43 1ek1 h SER 271 CO -0.06 -0.35 0.00 0.79 -1.14 0.00 0.00 176.83 176.07 1ek1 n TRP 272 N -5.42 0.00 0.00 3.45 7.02 -1.00 -4.07 117.44 117.42 1ek1 n TRP 272 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.49 1ek1 n TRP 272 Cb 0.35 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.24 1ek1 n TRP 272 CO 0.00 0.00 0.00 2.89 -2.02 0.00 0.00 177.69 178.56 1ek1 n ARG 273 N -0.51 0.00 -0.00 -0.99 1.85 -0.07 0.36 116.66 117.30 1ek1 n ARG 273 Ca 0.00 0.09 0.02 0.00 -1.00 0.00 0.00 57.85 56.96 1ek1 n ARG 273 Cb 0.00 -1.70 -0.03 0.00 -1.05 0.00 0.00 32.46 29.68 1ek1 n ARG 273 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1ek1 n TYR 274 N -0.95 0.00 -0.03 2.89 4.01 -1.26 -3.78 117.16 118.04 1ek1 n TYR 274 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.80 1ek1 n TYR 274 Cb 0.20 -0.07 -0.16 0.00 -0.31 0.00 0.00 39.34 39.00 1ek1 n TYR 274 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ek1 n GLN 275 N -1.53 0.67 0.12 -0.72 0.00 0.16 -4.25 117.38 111.84 1ek1 n GLN 275 Ca -0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 57.00 56.76 1ek1 n GLN 275 Cb 0.09 -1.51 -0.05 0.00 0.00 0.00 0.00 30.24 28.78 1ek1 n GLN 275 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1ek1 h ILE 276 N 0.00 0.00 -0.05 -0.39 2.04 -1.02 1.02 117.51 119.10 1ek1 h ILE 276 Ca -0.13 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.76 1ek1 h ILE 276 Cb 1.27 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.29 1ek1 h ILE 276 CO 0.01 0.00 -0.48 -0.65 0.00 0.00 0.00 178.15 177.03 1ek1 h PRO 277 N -0.46 -0.57 -0.83 2.37 0.11 -1.83 -1.20 132.00 129.58 1ek1 h PRO 277 Ca -0.02 0.04 0.21 0.00 0.11 0.00 0.00 66.00 66.33 1ek1 h PRO 277 Cb 0.42 0.13 -0.14 0.00 0.11 0.00 0.00 31.00 31.52 1ek1 h PRO 277 CO -0.06 -0.38 0.11 0.00 -0.21 0.00 0.00 178.00 177.46 1ek1 h ALA 278 N -0.16 1.04 -0.06 -0.75 0.00 -1.70 0.26 119.26 117.89 1ek1 h ALA 278 Ca 0.04 0.24 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 1ek1 h ALA 278 Cb 0.68 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1ek1 h ALA 278 CO -0.37 -0.45 -0.45 -0.07 0.00 0.00 0.00 179.25 177.91 1ek1 h LEU 279 N 0.14 0.15 0.32 0.00 3.38 0.16 0.71 115.31 120.17 1ek1 h LEU 279 Ca 0.49 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.38 1ek1 h LEU 279 Cb 0.94 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1ek1 h LEU 279 CO -0.69 0.58 -0.15 0.00 0.09 0.00 0.00 178.44 178.27 1ek1 h ALA 280 N 1.43 -0.43 -0.50 1.53 0.00 0.60 -2.15 119.26 119.74 1ek1 h ALA 280 Ca 0.01 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1ek1 h ALA 280 Cb 0.84 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1ek1 h ALA 280 CO 0.06 -0.62 0.31 1.96 0.00 0.00 0.00 179.25 180.97 1ek1 h GLN 281 N -0.67 0.61 -0.95 0.00 7.50 -0.72 0.48 115.11 121.36 1ek1 h GLN 281 Ca -0.04 -0.04 0.38 0.00 0.50 0.00 0.00 58.65 59.45 1ek1 h GLN 281 Cb 0.47 -0.14 -0.17 0.00 0.05 0.00 0.00 27.48 27.69 1ek1 h GLN 281 CO 0.07 0.40 0.44 0.00 -1.50 0.00 0.00 178.83 178.24 1ek1 n ALA 282 N -2.26 0.91 0.00 3.87 0.00 0.25 -4.67 120.51 118.61 1ek1 n ALA 282 Ca 0.03 0.98 0.00 0.00 0.00 0.00 0.00 53.44 54.45 1ek1 n ALA 282 Cb 0.05 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1ek1 n ALA 282 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ek1 n GLY 283 N -1.28 1.10 3.13 0.00 0.00 0.12 -5.08 105.19 103.18 1ek1 n GLY 283 Ca 0.34 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.27 1ek1 n GLY 283 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ek1 s PHE 284 N -1.49 0.74 -0.49 1.61 0.40 -0.83 -4.05 117.98 113.87 1ek1 s PHE 284 Ca 0.00 -0.94 -0.20 0.00 -0.60 0.00 0.00 56.93 55.19 1ek1 s PHE 284 Cb 0.00 -0.46 0.05 0.00 0.51 0.00 0.00 43.02 43.12 1ek1 s PHE 284 CO 0.00 -0.22 0.64 0.50 0.70 0.00 0.00 175.22 176.84 1ek1 s ARG 285 N -3.71 3.17 0.28 0.44 3.52 0.20 -3.84 118.95 119.00 1ek1 s ARG 285 Ca 0.09 -0.72 -0.26 0.00 -0.13 0.00 0.00 55.73 54.70 1ek1 s ARG 285 Cb 0.05 -4.05 -0.09 0.00 -1.56 0.00 0.00 34.95 29.29 1ek1 s ARG 285 CO -0.06 -1.17 0.91 0.08 -0.81 0.00 0.00 175.30 174.24 1ek1 s VAL 286 N 2.74 4.22 -0.45 7.11 1.01 0.16 -1.58 120.40 133.61 1ek1 s VAL 286 Ca 0.18 1.84 0.07 0.00 0.00 0.00 0.00 61.98 64.06 1ek1 s VAL 286 Cb -0.17 -4.09 0.23 0.00 0.00 0.00 0.00 36.38 32.34 1ek1 s VAL 286 CO 0.14 0.27 0.52 0.18 0.00 0.00 0.00 175.10 176.21 1ek1 n LEU 287 N 0.90 0.75 -4.55 3.92 4.32 -0.99 -2.88 117.00 118.47 1ek1 n LEU 287 Ca -0.00 -4.78 -0.34 0.00 -0.02 0.00 0.00 56.01 50.88 1ek1 n LEU 287 Cb 0.49 0.35 -0.04 0.00 -1.62 0.00 0.00 43.42 42.60 1ek1 n LEU 287 CO 0.46 2.01 1.48 0.00 -1.22 0.00 0.00 177.39 180.12 1ek1 s ALA 288 N -1.17 1.97 0.46 -1.18 0.00 -0.62 -3.21 121.76 118.03 1ek1 s ALA 288 Ca 0.35 -1.07 -0.17 0.00 0.00 0.00 0.00 51.96 51.07 1ek1 s ALA 288 Cb 0.13 -4.42 -0.09 0.00 0.00 0.00 0.00 23.12 18.75 1ek1 s ALA 288 CO -0.11 -4.28 0.94 0.42 0.00 0.00 0.00 175.76 172.73 1ek1 s ILE 289 N 9.35 4.53 -0.44 0.00 1.01 -1.21 -1.69 121.20 132.74 1ek1 s ILE 289 Ca 0.67 1.22 -0.19 0.00 0.00 0.00 0.00 60.65 62.35 1ek1 s ILE 289 Cb -0.10 -3.68 0.03 0.00 0.01 0.00 0.00 42.46 38.72 1ek1 s ILE 289 CO 0.11 -0.53 0.58 -1.81 0.00 0.00 0.00 174.94 173.29 1ek1 s ASP 290 N -2.76 6.27 0.24 3.58 1.01 -0.91 -4.09 116.67 120.01 1ek1 s ASP 290 Ca 0.59 -0.52 -0.31 0.00 0.71 0.00 0.00 52.55 53.02 1ek1 s ASP 290 Cb -0.10 -2.29 -0.14 0.00 1.01 0.00 0.00 42.92 41.41 1ek1 s ASP 290 CO 0.25 -0.73 1.33 0.23 0.21 0.00 0.00 175.17 176.45 1ek1 n MET 291 N 6.05 1.86 -1.00 8.23 2.81 -1.26 -4.51 117.12 129.30 1ek1 n MET 291 Ca -0.04 0.66 -0.38 0.00 -1.81 0.00 0.00 57.70 56.13 1ek1 n MET 291 Cb 0.47 -2.26 -0.05 0.00 -0.71 0.00 0.00 33.22 30.68 1ek1 n MET 291 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1ek1 n LYS 292 N 1.74 0.00 0.00 0.03 4.81 -1.26 0.74 118.16 124.22 1ek1 n LYS 292 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 1ek1 n LYS 292 Cb 0.31 -0.92 0.00 0.00 0.02 0.00 0.00 35.03 34.43 1ek1 n LYS 292 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ek1 n GLY 293 N 1.10 3.17 3.60 3.14 0.00 -0.62 -4.82 105.19 110.78 1ek1 n GLY 293 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 1ek1 n GLY 293 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ek1 s TYR 294 N -2.36 2.73 0.00 1.61 1.51 0.23 -4.24 117.35 116.82 1ek1 s TYR 294 Ca 0.00 -0.18 0.00 0.00 -1.01 0.00 0.00 57.07 55.88 1ek1 s TYR 294 Cb 0.00 -1.35 0.00 0.00 -0.11 0.00 0.00 41.96 40.50 1ek1 s TYR 294 CO 0.00 0.50 0.00 0.41 -1.11 0.00 0.00 175.55 175.35 1ek1 n GLY 295 N 0.12 2.14 0.97 0.71 0.00 -1.25 -2.45 105.19 105.43 1ek1 n GLY 295 Ca -0.11 0.41 0.12 0.00 0.00 0.00 0.00 46.02 46.44 1ek1 n GLY 295 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ek1 n ASP 296 N 7.92 2.96 -4.94 1.61 8.00 -1.26 -4.61 116.55 126.23 1ek1 n ASP 296 Ca 0.00 -1.93 -0.24 0.00 0.71 0.00 0.00 54.79 53.32 1ek1 n ASP 296 Cb 0.00 -0.12 -0.01 0.00 -0.02 0.00 0.00 41.12 40.96 1ek1 n ASP 296 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ek1 s SER 297 N -1.73 6.31 0.24 -2.24 0.01 -1.02 -4.38 113.70 110.88 1ek1 s SER 297 Ca 0.34 0.47 -0.31 0.00 1.31 0.00 0.00 55.95 57.76 1ek1 s SER 297 Cb 0.21 -2.04 -0.12 0.00 0.21 0.00 0.00 66.02 64.28 1ek1 s SER 297 CO 0.31 -0.28 1.64 -1.20 0.41 0.00 0.00 173.24 174.12 1ek1 n SER 298 N -1.67 3.79 -3.57 2.44 7.64 0.01 -4.47 113.62 117.79 1ek1 n SER 298 Ca -0.04 1.10 -0.27 0.00 1.01 0.00 0.00 58.87 60.66 1ek1 n SER 298 Cb 0.56 -1.56 -0.11 0.00 -1.01 0.00 0.00 64.21 62.09 1ek1 n SER 298 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ek1 n SER 299 N 3.12 0.84 -2.99 6.43 3.41 -1.26 -1.58 113.62 121.59 1ek1 n SER 299 Ca 0.13 -2.69 -0.01 0.00 -0.26 0.00 0.00 58.87 56.04 1ek1 n SER 299 Cb 0.35 -0.63 0.01 0.00 -0.26 0.00 0.00 64.21 63.68 1ek1 n SER 299 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1ek1 n PRO 300 N 2.47 -2.06 -0.08 4.33 -0.04 -1.26 -4.78 135.00 133.58 1ek1 n PRO 300 Ca 0.26 -0.05 -0.09 0.00 -0.04 0.00 0.00 63.50 63.58 1ek1 n PRO 300 Cb 0.43 -0.06 -0.10 0.00 -0.04 0.00 0.00 33.50 33.73 1ek1 n PRO 300 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1ek1 n PRO 301 N -2.11 1.20 -1.37 0.54 -0.04 -1.26 -4.27 135.00 127.70 1ek1 n PRO 301 Ca 0.00 0.04 -0.40 0.00 -0.04 0.00 0.00 63.50 63.11 1ek1 n PRO 301 Cb 0.02 -1.36 0.02 0.00 -0.04 0.00 0.00 33.50 32.14 1ek1 n PRO 301 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ek1 n GLU 302 N -2.72 0.28 -0.09 0.54 4.71 -1.26 -4.87 120.64 117.23 1ek1 n GLU 302 Ca -0.26 0.10 -0.13 0.00 -0.01 0.00 0.00 57.16 56.86 1ek1 n GLU 302 Cb 0.91 -1.32 -0.06 0.00 -1.01 0.00 0.00 31.44 29.96 1ek1 n GLU 302 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1ek1 n ILE 303 N -1.35 1.48 -0.31 -3.67 2.08 -1.26 -3.95 119.36 112.38 1ek1 n ILE 303 Ca 0.10 0.08 0.35 0.00 0.56 0.00 0.00 62.75 63.84 1ek1 n ILE 303 Cb 0.45 -2.22 0.70 0.00 -0.75 0.00 0.00 39.64 37.82 1ek1 n ILE 303 CO 0.00 0.00 0.00 1.05 0.56 0.00 0.00 176.55 178.16 1ek1 h GLU 304 N -1.00 0.00 -1.06 0.38 9.09 -1.92 0.94 114.58 121.01 1ek1 h GLU 304 Ca -0.19 0.00 0.28 0.00 0.05 0.00 0.00 59.36 59.51 1ek1 h GLU 304 Cb 0.93 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.95 1ek1 h GLU 304 CO -0.11 0.00 0.71 1.49 0.05 0.00 0.00 179.01 181.15 1ek1 h GLU 305 N 0.00 0.25 -0.49 1.06 4.57 -1.95 -0.30 114.58 117.72 1ek1 h GLU 305 Ca 0.56 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.72 1ek1 h GLU 305 Cb 2.51 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 31.03 1ek1 h GLU 305 CO -0.01 0.17 0.01 0.66 -1.18 0.00 0.00 179.01 178.66 1ek1 n TYR 306 N -4.48 1.76 -1.61 0.92 4.02 0.32 -4.66 117.16 113.44 1ek1 n TYR 306 Ca 0.25 -0.80 -0.38 0.00 -0.01 0.00 0.00 57.90 56.95 1ek1 n TYR 306 Cb 0.97 -0.46 0.05 0.00 -0.02 0.00 0.00 39.34 39.87 1ek1 n TYR 306 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ek1 n ALA 307 N 0.24 0.11 -0.10 -0.72 0.00 -0.13 -4.73 120.51 115.18 1ek1 n ALA 307 Ca 0.27 0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.59 1ek1 n ALA 307 Cb 1.12 -2.09 -0.04 0.00 0.00 0.00 0.00 19.45 18.44 1ek1 n ALA 307 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1ek1 h MET 308 N 0.59 0.85 -0.55 0.00 4.05 -1.90 -0.62 114.93 117.35 1ek1 h MET 308 Ca -0.48 -0.49 0.11 0.00 -0.28 0.00 0.00 59.70 58.56 1ek1 h MET 308 Cb 1.36 0.04 -0.11 0.00 -0.80 0.00 0.00 31.60 32.09 1ek1 h MET 308 CO 0.51 1.13 -0.21 1.49 0.23 0.00 0.00 176.91 180.06 1ek1 h GLU 309 N 0.63 -0.07 0.08 0.39 4.81 -1.93 -1.71 114.58 116.77 1ek1 h GLU 309 Ca 0.04 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1ek1 h GLU 309 Cb 1.03 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 1ek1 h GLU 309 CO 0.10 -0.05 -0.05 1.25 -0.73 0.00 0.00 179.01 179.54 1ek1 h LEU 310 N -0.08 -0.11 -0.84 1.64 5.85 -1.77 -2.34 115.31 117.65 1ek1 h LEU 310 Ca 0.25 0.01 0.26 0.00 0.84 0.00 0.00 57.88 59.24 1ek1 h LEU 310 Cb 0.47 0.03 -0.16 0.00 0.37 0.00 0.00 40.66 41.38 1ek1 h LEU 310 CO -0.60 -0.07 0.12 0.18 -0.34 0.00 0.00 178.44 177.73 1ek1 n LEU 311 N -2.40 -0.01 -0.06 2.25 4.77 -0.29 -0.38 117.00 120.88 1ek1 n LEU 311 Ca -0.01 1.42 -0.13 0.00 -0.03 0.00 0.00 56.01 57.26 1ek1 n LEU 311 Cb 0.05 -0.56 -0.07 0.00 -2.33 0.00 0.00 43.42 40.51 1ek1 n LEU 311 CO 0.03 -1.48 0.62 0.00 -1.33 0.00 0.00 177.39 175.23 1ek1 h LYS 313 N 0.03 -0.42 -0.66 0.00 1.63 -0.14 -2.02 116.57 114.99 1ek1 h LYS 313 Ca 0.03 0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.88 1ek1 h LYS 313 Cb 0.66 0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 32.34 1ek1 h LYS 313 CO 0.04 -0.28 0.41 0.93 -3.45 0.00 0.00 179.45 177.10 1ek1 h GLU 314 N -0.43 0.78 -0.98 1.90 5.08 -1.32 0.17 114.58 119.78 1ek1 h GLU 314 Ca 0.07 -0.05 0.28 0.00 -1.00 0.00 0.00 59.36 58.67 1ek1 h GLU 314 Cb 0.54 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 1ek1 h GLU 314 CO -0.29 0.52 0.77 1.98 -1.00 0.00 0.00 179.01 180.99 1ek1 h MET 315 N 0.81 0.00 0.00 2.33 4.05 -0.34 0.15 114.93 121.93 1ek1 h MET 315 Ca 0.27 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.68 1ek1 h MET 315 Cb 0.02 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.82 1ek1 h MET 315 CO -0.10 0.00 -0.03 0.28 0.23 0.00 0.00 176.91 177.28 1ek1 h VAL 316 N 0.00 1.55 -0.84 -5.77 2.07 -0.21 -3.22 116.25 109.83 1ek1 h VAL 316 Ca 0.47 -2.18 0.24 0.00 0.82 0.00 0.00 66.70 66.05 1ek1 h VAL 316 Cb 2.00 2.95 -0.03 0.00 -1.52 0.00 0.00 31.29 34.68 1ek1 h VAL 316 CO -0.00 0.53 0.68 0.74 0.02 0.00 0.00 177.57 179.53 1ek1 h THR 317 N -1.00 0.43 0.09 2.57 2.02 -0.35 0.33 112.91 117.00 1ek1 h THR 317 Ca -0.01 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1ek1 h THR 317 Cb 0.89 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1ek1 h THR 317 CO -0.01 0.00 -0.04 0.15 0.37 0.00 0.00 175.52 175.99 1ek1 h PHE 318 N 0.00 -0.11 0.16 3.16 3.57 -1.05 -1.63 116.94 121.04 1ek1 h PHE 318 Ca 0.40 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.89 1ek1 h PHE 318 Cb 1.76 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 40.53 1ek1 h PHE 318 CO 0.00 0.01 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.92 1ek1 h LEU 319 N -0.20 -0.23 -0.57 0.59 -0.00 -0.43 -1.50 115.31 112.97 1ek1 h LEU 319 Ca -0.01 0.01 0.06 0.00 -0.00 0.00 0.00 57.88 57.94 1ek1 h LEU 319 Cb 0.17 0.07 -0.09 0.00 -0.00 0.00 0.00 40.66 40.81 1ek1 h LEU 319 CO 0.02 -0.16 -0.53 0.44 -0.00 0.00 0.00 178.44 178.21 1ek1 h ASP 320 N -0.25 -1.83 -0.02 -0.43 3.32 -1.15 0.42 116.42 116.48 1ek1 h ASP 320 Ca -0.02 0.25 0.03 0.00 0.02 0.00 0.00 57.03 57.32 1ek1 h ASP 320 Cb 0.20 0.77 -0.06 0.00 0.22 0.00 0.00 39.33 40.47 1ek1 h ASP 320 CO 0.02 -0.32 -0.39 0.11 -1.72 0.00 0.00 179.24 176.94 1ek1 h LYS 321 N -0.24 -0.51 0.00 3.56 6.56 -1.28 0.40 116.57 125.05 1ek1 h LYS 321 Ca 0.10 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.72 1ek1 h LYS 321 Cb 0.49 0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.27 1ek1 h LYS 321 CO -0.66 -0.34 0.00 -0.11 -2.06 0.00 0.00 179.45 176.27 1ek1 n LEU 322 N -5.44 0.00 -0.78 2.94 0.00 -0.57 -4.87 117.00 108.29 1ek1 n LEU 322 Ca -0.05 0.15 -0.10 0.00 0.00 0.00 0.00 56.01 56.01 1ek1 n LEU 322 Cb 0.36 -0.15 -0.04 0.00 0.00 0.00 0.00 43.42 43.58 1ek1 n LEU 322 CO 0.16 -0.08 -0.10 0.61 0.00 0.00 0.00 177.39 177.99 1ek1 n GLY 323 N -0.01 1.15 3.71 -3.96 0.00 0.14 -5.03 105.19 101.19 1ek1 n GLY 323 Ca 0.09 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 1ek1 n GLY 323 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ek1 s ILE 324 N -2.34 5.27 -2.16 -0.61 -1.09 -0.39 -4.97 121.20 114.90 1ek1 s ILE 324 Ca 0.00 0.63 0.27 0.00 -2.23 0.00 0.00 60.65 59.32 1ek1 s ILE 324 Cb 0.00 -3.67 0.38 0.00 -1.58 0.00 0.00 42.46 37.59 1ek1 s ILE 324 CO 0.00 0.35 1.62 -0.81 -1.23 0.00 0.00 174.94 174.87 1ek1 n PRO 325 N 3.78 1.29 -3.61 2.79 -0.04 -1.26 -4.22 135.00 133.73 1ek1 n PRO 325 Ca -0.11 -0.79 -0.09 0.00 -0.04 0.00 0.00 63.50 62.48 1ek1 n PRO 325 Cb 0.52 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 1ek1 n PRO 325 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1ek1 s GLN 326 N -2.25 0.46 0.27 0.54 -0.21 -1.26 -4.29 119.66 112.92 1ek1 s GLN 326 Ca 0.30 0.29 -0.07 0.00 0.02 0.00 0.00 55.36 55.90 1ek1 s GLN 326 Cb 0.20 0.22 -0.01 0.00 1.00 0.00 0.00 33.01 34.42 1ek1 s GLN 326 CO 0.43 -0.11 0.41 0.00 -2.12 0.00 0.00 175.29 173.90 1ek1 s ALA 327 N -0.50 0.35 -0.44 6.09 0.00 -0.60 -4.67 121.76 121.99 1ek1 s ALA 327 Ca 0.02 -1.24 -0.10 0.00 0.00 0.00 0.00 51.96 50.63 1ek1 s ALA 327 Cb -0.03 1.16 0.08 0.00 0.00 0.00 0.00 23.12 24.33 1ek1 s ALA 327 CO -0.04 -0.79 0.30 0.08 0.00 0.00 0.00 175.76 175.31 1ek1 s VAL 328 N -3.71 4.42 -0.14 0.00 1.01 -0.62 -1.18 120.40 120.16 1ek1 s VAL 328 Ca 0.28 -1.38 -0.25 0.00 0.00 0.00 0.00 61.98 60.63 1ek1 s VAL 328 Cb 0.01 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1ek1 s VAL 328 CO 0.13 -0.55 0.82 -0.36 0.00 0.00 0.00 175.10 175.14 1ek1 s PHE 329 N 1.46 3.46 -0.51 5.22 0.40 -0.75 -0.85 117.98 126.41 1ek1 s PHE 329 Ca 0.03 1.28 0.03 0.00 -0.60 0.00 0.00 56.93 57.68 1ek1 s PHE 329 Cb -0.24 -2.99 0.16 0.00 0.51 0.00 0.00 43.02 40.46 1ek1 s PHE 329 CO 0.03 -0.18 0.34 0.42 0.70 0.00 0.00 175.22 176.53 1ek1 s ILE 330 N 1.87 1.52 0.48 0.64 -1.09 -0.23 -1.83 121.20 122.56 1ek1 s ILE 330 Ca 0.39 -3.08 -0.05 0.00 -2.23 0.00 0.00 60.65 55.69 1ek1 s ILE 330 Cb -0.17 -2.04 -0.03 0.00 -1.58 0.00 0.00 42.46 38.64 1ek1 s ILE 330 CO 0.14 -1.03 0.78 -0.83 -1.23 0.00 0.00 174.94 172.77 1ek1 s GLY 331 N -0.25 1.50 0.00 6.18 0.00 -0.55 -3.13 107.32 111.07 1ek1 s GLY 331 Ca 0.24 -0.58 -0.02 0.00 0.00 0.00 0.00 44.72 44.36 1ek1 s GLY 331 CO -0.10 -0.41 0.03 -1.58 0.00 0.00 0.00 173.10 171.04 1ek1 s HIS 332 N -2.73 0.11 0.00 1.90 2.46 -1.13 -0.79 115.29 115.11 1ek1 s HIS 332 Ca 0.48 -0.23 0.00 0.00 0.47 0.00 0.00 55.06 55.78 1ek1 s HIS 332 Cb -0.10 -0.09 0.00 0.00 -0.13 0.00 0.00 32.58 32.26 1ek1 s HIS 332 CO 0.44 -0.16 0.00 -3.47 -2.47 0.00 0.00 174.74 169.08 1ek1 n ASP 333 N 2.03 0.00 0.27 9.88 -0.08 -1.19 -2.39 116.55 125.07 1ek1 n ASP 333 Ca -0.20 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.22 1ek1 n ASP 333 Cb 0.57 0.00 0.77 0.00 2.34 0.00 0.00 41.12 44.79 1ek1 n ASP 333 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 1ek1 h TRP 334 N 0.00 0.00 0.12 -0.67 -0.00 -1.91 -0.42 115.95 113.07 1ek1 h TRP 334 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.89 58.60 1ek1 h TRP 334 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 29.16 29.19 1ek1 h TRP 334 CO 0.00 0.00 -1.20 0.00 -0.00 0.00 0.00 178.44 177.24 1ek1 h ALA 335 N 1.58 -0.01 -0.90 1.49 0.00 -1.62 -3.16 119.26 116.63 1ek1 h ALA 335 Ca 0.00 -0.76 0.09 0.00 0.00 0.00 0.00 54.91 54.24 1ek1 h ALA 335 Cb 0.38 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 1ek1 h ALA 335 CO 0.00 0.66 0.58 0.78 0.00 0.00 0.00 179.25 181.27 1ek1 h GLY 336 N 0.24 1.32 0.43 0.00 0.00 -1.07 1.40 103.07 105.38 1ek1 h GLY 336 Ca -0.18 -0.38 0.03 0.00 0.00 0.00 0.00 47.33 46.79 1ek1 h GLY 336 CO 0.23 0.22 -0.28 -2.08 0.00 0.00 0.00 176.54 174.63 1ek1 h VAL 337 N 0.92 0.39 -0.38 4.60 2.07 -1.50 -0.13 116.25 122.21 1ek1 h VAL 337 Ca 0.42 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.93 1ek1 h VAL 337 Cb 0.38 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1ek1 h VAL 337 CO -0.18 0.00 0.23 -0.03 0.02 0.00 0.00 177.57 177.61 1ek1 h MET 338 N -0.45 0.52 -0.86 1.57 -1.53 -0.74 -1.79 114.93 111.64 1ek1 h MET 338 Ca 0.05 -0.05 0.18 0.00 -3.44 0.00 0.00 59.70 56.44 1ek1 h MET 338 Cb 0.51 -0.11 -0.11 0.00 -0.55 0.00 0.00 31.60 31.34 1ek1 h MET 338 CO -0.21 0.39 0.39 0.28 0.14 0.00 0.00 176.91 177.91 1ek1 h VAL 339 N 0.49 0.60 -0.11 -5.77 2.07 0.21 0.95 116.25 114.69 1ek1 h VAL 339 Ca 0.14 -0.17 -0.21 0.00 0.82 0.00 0.00 66.70 67.27 1ek1 h VAL 339 Cb 0.01 0.07 0.01 0.00 -1.52 0.00 0.00 31.29 29.85 1ek1 h VAL 339 CO -0.02 0.09 -0.79 -0.50 0.02 0.00 0.00 177.57 176.37 1ek1 h TRP 340 N 0.49 0.88 -0.07 1.57 4.06 -0.59 -2.37 115.95 119.92 1ek1 h TRP 340 Ca 0.50 -0.40 -0.08 0.00 2.06 0.00 0.00 58.89 60.98 1ek1 h TRP 340 Cb 0.83 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.85 1ek1 h TRP 340 CO -0.13 1.20 -0.31 -0.91 -3.56 0.00 0.00 178.44 174.73 1ek1 h ASN 341 N 0.43 0.12 0.30 -3.49 2.35 -0.35 0.26 115.58 115.20 1ek1 h ASN 341 Ca -0.05 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1ek1 h ASN 341 Cb 1.40 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.72 1ek1 h ASN 341 CO 0.15 0.44 -0.34 0.24 -1.65 0.00 0.00 177.43 176.27 1ek1 h MET 342 N 0.11 -0.62 -1.01 0.81 2.86 0.11 0.34 114.93 117.53 1ek1 h MET 342 Ca 0.01 0.04 0.23 0.00 -2.06 0.00 0.00 59.70 57.93 1ek1 h MET 342 Cb 0.61 0.14 -0.11 0.00 0.06 0.00 0.00 31.60 32.30 1ek1 h MET 342 CO 0.04 -0.41 0.61 0.00 1.06 0.00 0.00 176.91 178.22 1ek1 h ALA 343 N -1.15 1.84 -0.05 6.32 0.00 -0.87 0.20 119.26 125.55 1ek1 h ALA 343 Ca -0.04 0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.73 1ek1 h ALA 343 Cb 0.57 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1ek1 h ALA 343 CO -0.06 -0.27 -0.92 1.25 0.00 0.00 0.00 179.25 179.24 1ek1 h LEU 344 N 0.60 0.83 0.00 0.00 5.85 -0.31 -3.32 115.31 118.96 1ek1 h LEU 344 Ca 0.61 -0.62 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 1ek1 h LEU 344 Cb 1.17 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 1ek1 h LEU 344 CO -0.41 1.42 -1.89 0.49 -0.34 0.00 0.00 178.44 177.71 1ek1 n PHE 345 N -3.86 0.23 -3.41 1.25 3.72 0.11 -4.71 117.46 110.79 1ek1 n PHE 345 Ca -0.09 0.07 -0.26 0.00 -0.05 0.00 0.00 57.45 57.13 1ek1 n PHE 345 Cb 0.82 -0.73 -0.10 0.00 -0.94 0.00 0.00 39.48 38.53 1ek1 n PHE 345 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1ek1 s TYR 346 N -3.22 0.56 -0.12 1.38 2.02 0.63 -4.96 117.35 113.63 1ek1 s TYR 346 Ca -0.07 -1.61 0.14 0.00 -0.37 0.00 0.00 57.07 55.16 1ek1 s TYR 346 Cb 0.11 -0.79 -0.02 0.00 -0.40 0.00 0.00 41.96 40.87 1ek1 s TYR 346 CO 0.87 -0.87 1.28 -1.00 -1.57 0.00 0.00 175.55 174.26 1ek1 h PRO 347 N 6.66 0.00 0.42 -1.71 0.14 -1.72 -3.28 132.00 132.51 1ek1 h PRO 347 Ca 0.11 0.00 -0.02 0.00 0.14 0.00 0.00 66.00 66.23 1ek1 h PRO 347 Cb 0.97 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.12 1ek1 h PRO 347 CO 0.27 0.51 -0.20 0.93 0.14 0.00 0.00 178.00 179.64 1ek1 h GLU 348 N 0.00 -0.55 0.00 0.86 3.07 -1.93 -2.77 114.58 113.26 1ek1 h GLU 348 Ca -0.04 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1ek1 h GLU 348 Cb 1.48 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 29.51 1ek1 h GLU 348 CO 0.07 -0.26 0.00 0.54 -1.40 0.00 0.00 179.01 177.95 1ek1 n ARG 349 N -5.25 0.08 -3.81 2.33 5.12 -1.26 -4.49 116.66 109.38 1ek1 n ARG 349 Ca -0.11 0.23 -0.36 0.00 -1.93 0.00 0.00 57.85 55.69 1ek1 n ARG 349 Cb 0.28 -1.50 -0.12 0.00 -1.16 0.00 0.00 32.46 29.96 1ek1 n ARG 349 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1ek1 s VAL 350 N -2.82 4.37 -0.05 1.55 1.01 -1.05 -1.56 120.40 121.85 1ek1 s VAL 350 Ca 0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 1ek1 s VAL 350 Cb 0.08 -3.03 -0.27 0.00 0.00 0.00 0.00 36.38 33.16 1ek1 s VAL 350 CO 0.22 0.36 0.66 -0.09 0.00 0.00 0.00 175.10 176.25 1ek1 h ARG 351 N 8.01 0.24 -2.95 2.72 9.65 -1.37 -3.46 114.38 127.21 1ek1 h ARG 351 Ca -0.38 -0.41 -0.04 0.00 -1.10 0.00 0.00 59.98 58.05 1ek1 h ARG 351 Cb 1.18 0.15 -0.14 0.00 -1.39 0.00 0.00 29.97 29.77 1ek1 h ARG 351 CO 0.59 1.08 0.12 0.00 2.80 0.00 0.00 179.97 184.57 1ek1 s ALA 352 N -2.59 -1.44 0.02 2.80 0.00 -1.25 -3.98 121.76 115.33 1ek1 s ALA 352 Ca -0.13 0.48 0.03 0.00 0.00 0.00 0.00 51.96 52.34 1ek1 s ALA 352 Cb 0.07 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 1ek1 s ALA 352 CO 0.83 -0.66 -0.10 0.08 0.00 0.00 0.00 175.76 175.91 1ek1 s VAL 353 N -3.31 0.73 -0.03 0.00 1.01 -0.06 -1.81 120.40 116.93 1ek1 s VAL 353 Ca -0.01 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 1ek1 s VAL 353 Cb -0.00 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.71 1ek1 s VAL 353 CO -0.09 -0.05 0.08 0.00 0.00 0.00 0.00 175.10 175.04 1ek1 s ALA 354 N -0.74 -0.12 0.12 5.51 0.00 -0.76 -1.35 121.76 124.41 1ek1 s ALA 354 Ca -0.01 0.36 0.09 0.00 0.00 0.00 0.00 51.96 52.40 1ek1 s ALA 354 Cb -0.06 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 1ek1 s ALA 354 CO 0.00 -0.09 -0.18 0.45 0.00 0.00 0.00 175.76 175.94 1ek1 s SER 355 N 0.65 3.86 -0.21 0.00 0.15 -0.70 -1.48 113.70 115.98 1ek1 s SER 355 Ca -0.05 -0.57 -0.01 0.00 0.70 0.00 0.00 55.95 56.02 1ek1 s SER 355 Cb -0.07 -0.53 0.02 0.00 -1.71 0.00 0.00 66.02 63.72 1ek1 s SER 355 CO -0.03 0.18 -0.13 -0.76 1.20 0.00 0.00 173.24 173.71 1ek1 s LEU 356 N -2.14 2.60 0.00 3.45 1.43 0.03 -2.39 118.68 121.66 1ek1 s LEU 356 Ca 0.18 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1ek1 s LEU 356 Cb -0.11 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.53 1ek1 s LEU 356 CO 0.10 -0.04 0.00 0.59 0.23 0.00 0.00 176.35 177.23 1ek1 n ASN 357 N 4.67 0.00 -4.70 2.29 4.13 0.86 -3.14 115.26 119.36 1ek1 n ASN 357 Ca -0.19 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.65 1ek1 n ASN 357 Cb 0.49 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.70 1ek1 n ASN 357 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1ek1 s THR 358 N 0.00 2.34 0.56 3.41 2.01 -1.26 -4.86 115.64 117.85 1ek1 s THR 358 Ca 0.00 0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.07 1ek1 s THR 358 Cb 0.00 -3.02 0.05 0.00 0.01 0.00 0.00 72.50 69.54 1ek1 s THR 358 CO 0.00 0.00 0.78 -2.16 -0.69 0.00 0.00 174.62 172.55 1ek1 s PRO 359 N 2.16 2.39 -0.51 4.92 0.04 -1.26 -4.75 135.00 138.00 1ek1 s PRO 359 Ca 0.79 -1.04 -0.24 0.00 0.04 0.00 0.00 61.00 60.55 1ek1 s PRO 359 Cb -0.47 -2.53 0.04 0.00 0.04 0.00 0.00 34.50 31.58 1ek1 s PRO 359 CO 0.35 -0.80 0.89 0.12 0.04 0.00 0.00 177.00 177.60 1ek1 s PHE 360 N -2.75 2.87 -0.94 0.56 5.36 -1.26 -4.84 117.98 116.99 1ek1 s PHE 360 Ca 0.59 0.07 -0.02 0.00 -0.96 0.00 0.00 56.93 56.61 1ek1 s PHE 360 Cb -0.09 -3.94 0.26 0.00 -0.34 0.00 0.00 43.02 38.91 1ek1 s PHE 360 CO 0.39 -1.21 1.00 -1.33 -1.46 0.00 0.00 175.22 172.61 1ek1 n MET 361 N 7.17 3.21 -0.74 10.12 2.81 -1.26 -4.79 117.12 133.64 1ek1 n MET 361 Ca 0.02 -4.53 -0.32 0.00 -1.81 0.00 0.00 57.70 51.06 1ek1 n MET 361 Cb 0.48 -2.43 0.14 0.00 -0.71 0.00 0.00 33.22 30.70 1ek1 n MET 361 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 1ek1 n PRO 362 N 1.87 -0.59 -3.81 0.03 -0.02 -1.26 -5.00 135.00 126.23 1ek1 n PRO 362 Ca 0.24 -0.13 -0.35 0.00 -2.02 0.00 0.00 63.50 61.24 1ek1 n PRO 362 Cb 0.37 -1.97 -0.05 0.00 -0.02 0.00 0.00 33.50 31.82 1ek1 n PRO 362 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ek1 s PRO 363 N -3.88 3.53 -0.29 0.52 0.04 -1.26 -5.08 135.00 128.58 1ek1 s PRO 363 Ca 0.60 -0.11 -0.21 0.00 0.04 0.00 0.00 61.00 61.32 1ek1 s PRO 363 Cb -0.21 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 1ek1 s PRO 363 CO 0.65 0.70 0.64 -0.51 0.04 0.00 0.00 177.00 178.53 1ek1 s ASP 364 N -1.47 6.53 0.62 6.66 1.11 -1.26 -4.92 116.67 123.94 1ek1 s ASP 364 Ca 0.23 0.52 0.32 0.00 0.18 0.00 0.00 52.55 53.79 1ek1 s ASP 364 Cb -0.13 -2.34 1.77 0.00 1.07 0.00 0.00 42.92 43.29 1ek1 s ASP 364 CO 0.12 -0.47 2.10 1.55 1.18 0.00 0.00 175.17 179.66 1ek1 h PRO 365 N 8.11 0.00 -0.68 8.23 0.13 -1.98 -1.88 132.00 143.93 1ek1 h PRO 365 Ca -0.26 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.43 1ek1 h PRO 365 Cb 1.12 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.99 1ek1 h PRO 365 CO 0.80 0.00 0.03 -0.40 -0.23 0.00 0.00 178.00 178.20 1ek1 n ASP 366 N -3.50 4.49 -3.29 1.44 5.68 -1.26 -4.85 116.55 115.25 1ek1 n ASP 366 Ca 0.00 -3.77 -0.08 0.00 -0.50 0.00 0.00 54.79 50.45 1ek1 n ASP 366 Cb 0.31 -0.66 -0.05 0.00 -1.14 0.00 0.00 41.12 39.58 1ek1 n ASP 366 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1ek1 s VAL 367 N -4.00 -0.67 -0.02 2.12 1.01 -0.71 -5.11 120.40 113.02 1ek1 s VAL 367 Ca 0.52 -0.25 -0.38 0.00 0.00 0.00 0.00 61.98 61.87 1ek1 s VAL 367 Cb 0.44 -0.98 -0.16 0.00 0.00 0.00 0.00 36.38 35.68 1ek1 s VAL 367 CO 0.02 -0.25 1.46 -0.24 0.00 0.00 0.00 175.10 176.09 1ek1 n SER 368 N 5.36 1.87 -0.25 3.32 2.88 -1.26 -4.62 113.62 120.92 1ek1 n SER 368 Ca 0.01 1.11 0.10 0.00 -1.33 0.00 0.00 58.87 58.75 1ek1 n SER 368 Cb 0.50 -1.18 0.36 0.00 -0.75 0.00 0.00 64.21 63.14 1ek1 n SER 368 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1ek1 h PRO 369 N 5.36 0.72 0.10 -1.46 0.13 -1.92 -2.03 132.00 132.90 1ek1 h PRO 369 Ca -0.47 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 1ek1 h PRO 369 Cb 1.33 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ek1 h PRO 369 CO 0.83 0.48 -0.05 0.52 -0.23 0.00 0.00 178.00 179.55 1ek1 h MET 370 N 0.74 -0.13 -0.72 0.86 2.86 -1.91 -2.81 114.93 113.82 1ek1 h MET 370 Ca 0.40 0.01 0.15 0.00 -2.06 0.00 0.00 59.70 58.20 1ek1 h MET 370 Cb 0.53 0.03 -0.10 0.00 0.06 0.00 0.00 31.60 32.12 1ek1 h MET 370 CO -0.17 0.07 0.18 0.87 1.06 0.00 0.00 176.91 178.93 1ek1 h LYS 371 N -0.33 0.28 0.00 1.72 1.79 -1.73 0.38 116.57 118.67 1ek1 h LYS 371 Ca -0.01 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1ek1 h LYS 371 Cb 0.27 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1ek1 h LYS 371 CO 0.02 0.18 -0.00 -0.39 -1.08 0.00 0.00 179.45 178.18 1ek1 h VAL 372 N 0.28 0.01 0.08 0.50 -1.51 -1.31 -1.56 116.25 112.73 1ek1 h VAL 372 Ca 0.40 -0.25 -0.27 0.00 -1.23 0.00 0.00 66.70 65.35 1ek1 h VAL 372 Cb 0.66 1.24 -0.01 0.00 -2.13 0.00 0.00 31.29 31.05 1ek1 h VAL 372 CO -0.48 0.00 -1.34 0.40 -1.23 0.00 0.00 177.57 174.92 1ek1 h ILE 373 N 0.00 1.36 0.00 7.19 1.08 -0.04 -3.25 117.51 123.85 1ek1 h ILE 373 Ca -0.00 -3.02 0.00 0.00 -0.39 0.00 0.00 64.86 61.45 1ek1 h ILE 373 Cb 0.24 2.79 0.00 0.00 -3.07 0.00 0.00 36.82 36.79 1ek1 h ILE 373 CO 0.00 0.84 0.00 0.54 -0.69 0.00 0.00 178.15 178.84 1ek1 n ARG 374 N -3.40 0.08 -0.11 2.37 1.74 -0.60 -3.73 116.66 113.02 1ek1 n ARG 374 Ca -0.10 0.36 -0.19 0.00 -0.77 0.00 0.00 57.85 57.15 1ek1 n ARG 374 Cb 1.01 -1.66 -0.07 0.00 -1.02 0.00 0.00 32.46 30.72 1ek1 n ARG 374 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1ek1 n SER 375 N -1.81 1.90 -4.60 0.55 7.64 -1.16 -4.82 113.62 111.32 1ek1 n SER 375 Ca 0.02 0.41 -0.51 0.00 1.01 0.00 0.00 58.87 59.80 1ek1 n SER 375 Cb 0.17 -0.85 -0.06 0.00 -1.01 0.00 0.00 64.21 62.46 1ek1 n SER 375 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1ek1 n ILE 376 N -4.41 0.36 -0.23 0.44 2.08 -1.24 -4.77 119.36 111.59 1ek1 n ILE 376 Ca -0.32 -0.17 0.03 0.00 0.56 0.00 0.00 62.75 62.85 1ek1 n ILE 376 Cb 0.65 -1.66 0.15 0.00 -0.75 0.00 0.00 39.64 38.02 1ek1 n ILE 376 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 1ek1 h PRO 377 N 10.22 0.36 0.00 0.38 0.13 -1.88 -2.14 132.00 139.07 1ek1 h PRO 377 Ca -0.40 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.70 1ek1 h PRO 377 Cb 1.30 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ek1 h PRO 377 CO 0.98 0.24 -0.08 -0.24 -0.23 0.00 0.00 178.00 178.66 1ek1 h VAL 378 N 0.37 0.26 -0.02 1.56 3.04 -1.90 -3.24 116.25 116.32 1ek1 h VAL 378 Ca 0.36 -0.63 -0.01 0.00 -1.01 0.00 0.00 66.70 65.41 1ek1 h VAL 378 Cb 0.53 1.49 -0.01 0.00 -2.01 0.00 0.00 31.29 31.30 1ek1 h VAL 378 CO -0.39 0.08 0.01 0.49 -1.01 0.00 0.00 177.57 176.76 1ek1 n PHE 379 N -3.28 0.07 0.12 3.17 3.01 -0.80 -3.76 117.46 115.98 1ek1 n PHE 379 Ca -0.00 -0.48 -0.08 0.00 1.01 0.00 0.00 57.45 57.90 1ek1 n PHE 379 Cb 0.30 -0.25 -0.04 0.00 -0.01 0.00 0.00 39.48 39.48 1ek1 n PHE 379 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 1ek1 h ASN 380 N 0.03 -0.33 -0.98 4.37 -0.00 -1.52 -3.15 115.58 113.99 1ek1 h ASN 380 Ca 0.01 -0.07 0.35 0.00 -0.00 0.00 0.00 56.30 56.59 1ek1 h ASN 380 Cb 1.00 0.09 -0.18 0.00 -0.00 0.00 0.00 38.32 39.22 1ek1 h ASN 380 CO 0.02 0.14 0.30 0.00 -0.00 0.00 0.00 177.43 177.90 1ek1 n TYR 381 N -5.03 0.91 -0.04 0.67 0.18 1.32 0.43 117.16 115.60 1ek1 n TYR 381 Ca -0.06 1.17 0.13 0.00 1.88 0.00 0.00 57.90 61.02 1ek1 n TYR 381 Cb 0.20 -1.42 0.55 0.00 -0.38 0.00 0.00 39.34 38.29 1ek1 n TYR 381 CO 0.00 0.00 0.00 1.96 -2.08 0.00 0.00 176.86 176.74 1ek1 h GLN 382 N 0.00 0.29 0.23 -3.48 4.20 -1.77 0.59 115.11 115.17 1ek1 h GLN 382 Ca 0.73 -0.02 -0.33 0.00 0.06 0.00 0.00 58.65 59.09 1ek1 h GLN 382 Cb 1.77 -0.07 0.03 0.00 0.30 0.00 0.00 27.48 29.52 1ek1 h GLN 382 CO -0.83 0.19 -1.48 1.25 -0.67 0.00 0.00 178.83 177.29 1ek1 h LEU 383 N 0.30 0.77 -0.67 1.46 6.46 0.90 -3.22 115.31 121.31 1ek1 h LEU 383 Ca 0.25 -0.93 0.14 0.00 -0.12 0.00 0.00 57.88 57.23 1ek1 h LEU 383 Cb 0.61 -0.25 -0.12 0.00 -0.73 0.00 0.00 40.66 40.17 1ek1 h LEU 383 CO -0.06 1.70 -0.02 0.22 -0.62 0.00 0.00 178.44 179.67 1ek1 h TYR 384 N 0.08 -0.08 -0.13 1.25 3.20 0.63 -0.52 116.97 121.40 1ek1 h TYR 384 Ca -0.27 0.05 0.04 0.00 3.14 0.00 0.00 58.73 61.70 1ek1 h TYR 384 Cb 2.11 0.14 -0.05 0.00 1.54 0.00 0.00 36.73 40.47 1ek1 h TYR 384 CO 0.13 -0.21 -0.16 0.74 -1.64 0.00 0.00 178.16 177.03 1ek1 h PHE 385 N 0.10 -0.40 -1.06 -3.82 0.04 -1.02 -2.91 116.94 107.86 1ek1 h PHE 385 Ca 0.35 0.02 0.32 0.00 2.80 0.00 0.00 57.97 61.47 1ek1 h PHE 385 Cb 0.59 0.20 -0.06 0.00 2.20 0.00 0.00 35.95 38.87 1ek1 h PHE 385 CO -0.41 -0.23 0.74 0.94 -0.60 0.00 0.00 178.31 178.76 1ek1 n GLN 386 N -5.30 -0.01 -2.90 1.51 -0.06 -0.20 -4.07 117.38 106.35 1ek1 n GLN 386 Ca -0.03 0.68 -0.43 0.00 -2.00 0.00 0.00 57.00 55.23 1ek1 n GLN 386 Cb 0.22 -1.49 -0.05 0.00 -4.06 0.00 0.00 30.24 24.86 1ek1 n GLN 386 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1ek1 s GLU 387 N -4.27 3.61 -0.10 3.69 0.41 -1.10 -4.94 118.70 116.00 1ek1 s GLU 387 Ca -0.03 0.20 -0.38 0.00 -0.41 0.00 0.00 54.97 54.34 1ek1 s GLU 387 Cb 0.17 -3.87 -0.16 0.00 -1.78 0.00 0.00 34.13 28.49 1ek1 s GLU 387 CO 0.52 -1.03 1.56 -2.30 -0.49 0.00 0.00 175.26 173.51 1ek1 n PRO 388 N 6.75 1.20 0.00 0.39 -0.02 -1.26 -3.07 135.00 138.99 1ek1 n PRO 388 Ca 0.04 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1ek1 n PRO 388 Cb 0.48 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1ek1 n PRO 388 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ek1 n GLY 389 N 3.41 2.85 0.00 -1.23 0.00 -1.26 -4.92 105.19 104.04 1ek1 n GLY 389 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1ek1 n GLY 389 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ek1 n VAL 390 N -0.20 0.00 0.29 1.61 0.31 -1.17 -0.88 118.33 118.29 1ek1 n VAL 390 Ca 0.00 1.31 0.17 0.00 -0.01 0.00 0.00 64.34 65.81 1ek1 n VAL 390 Cb 0.00 -2.29 0.87 0.00 -0.91 0.00 0.00 33.84 31.51 1ek1 n VAL 390 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ek1 h ALA 391 N -1.98 1.11 0.64 3.52 0.00 -1.86 -1.11 119.26 119.59 1ek1 h ALA 391 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1ek1 h ALA 391 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ek1 h ALA 391 CO 0.00 0.06 -0.35 0.93 0.00 0.00 0.00 179.25 179.89 1ek1 h GLU 392 N 0.00 -0.88 -0.91 0.00 3.07 -1.89 0.10 114.58 114.07 1ek1 h GLU 392 Ca -0.00 0.06 0.21 0.00 -0.50 0.00 0.00 59.36 59.13 1ek1 h GLU 392 Cb 0.28 0.20 -0.12 0.00 -0.84 0.00 0.00 28.75 28.27 1ek1 h GLU 392 CO 0.01 -0.59 0.45 0.00 -1.40 0.00 0.00 179.01 177.48 1ek1 h ALA 393 N -1.47 1.49 0.31 3.43 0.00 -0.29 0.20 119.26 122.93 1ek1 h ALA 393 Ca -0.09 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1ek1 h ALA 393 Cb 0.71 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1ek1 h ALA 393 CO 0.12 -0.28 -0.15 1.49 0.00 0.00 0.00 179.25 180.42 1ek1 h GLU 394 N 0.48 -0.40 0.46 0.00 4.81 -0.80 -3.01 114.58 116.11 1ek1 h GLU 394 Ca 0.56 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.80 1ek1 h GLU 394 Cb 1.03 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1ek1 h GLU 394 CO -0.49 -0.08 -0.22 -0.07 -0.73 0.00 0.00 179.01 177.42 1ek1 h LEU 395 N -0.78 -0.52 -0.26 1.64 3.38 -0.50 -3.31 115.31 114.95 1ek1 h LEU 395 Ca -0.04 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 57.95 1ek1 h LEU 395 Cb 0.51 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.32 1ek1 h LEU 395 CO 0.07 -0.30 -0.43 -0.33 0.09 0.00 0.00 178.44 177.54 1ek1 h GLU 396 N -0.71 -0.40 -0.11 1.13 5.08 -0.74 -3.18 114.58 115.66 1ek1 h GLU 396 Ca -0.06 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1ek1 h GLU 396 Cb 0.52 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1ek1 h GLU 396 CO 0.10 -0.27 0.00 1.63 -1.00 0.00 0.00 179.01 179.48 1ek1 n LYS 397 N -5.42 -0.01 -3.20 2.33 4.76 -1.14 -2.76 118.16 112.72 1ek1 n LYS 397 Ca -0.03 0.16 -0.06 0.00 -2.87 0.00 0.00 58.31 55.51 1ek1 n LYS 397 Cb 0.36 -0.25 -0.03 0.00 -1.84 0.00 0.00 35.03 33.26 1ek1 n LYS 397 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1ek1 s ASN 398 N -5.00 -0.63 0.49 4.39 2.47 -1.20 -4.99 114.94 110.46 1ek1 s ASN 398 Ca -0.01 -1.22 0.19 0.00 0.42 0.00 0.00 52.86 52.23 1ek1 s ASN 398 Cb 0.03 1.46 1.23 0.00 -1.45 0.00 0.00 41.25 42.52 1ek1 s ASN 398 CO 0.08 -0.18 2.01 0.24 -3.72 0.00 0.00 177.10 175.53 1ek1 h MET 399 N 6.71 0.17 -0.58 0.43 2.86 -1.63 -1.48 114.93 121.40 1ek1 h MET 399 Ca 0.06 -0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.80 1ek1 h MET 399 Cb 1.12 -0.04 -0.08 0.00 0.06 0.00 0.00 31.60 32.66 1ek1 h MET 399 CO 0.13 0.11 0.12 1.03 1.06 0.00 0.00 176.91 179.36 1ek1 h SER 400 N 0.17 0.00 0.39 1.22 0.87 -1.92 -0.69 113.55 113.60 1ek1 h SER 400 Ca 0.23 0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.88 1ek1 h SER 400 Cb 0.69 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1ek1 h SER 400 CO -0.04 0.01 -0.19 -0.09 -0.53 0.00 0.00 176.83 176.00 1ek1 h ARG 401 N 0.25 -0.50 -0.36 2.24 1.12 -1.67 -3.30 114.38 112.16 1ek1 h ARG 401 Ca 0.30 0.03 0.03 0.00 -1.11 0.00 0.00 59.98 59.24 1ek1 h ARG 401 Cb 0.44 0.11 -0.04 0.00 -0.01 0.00 0.00 29.97 30.47 1ek1 h ARG 401 CO -0.39 -0.34 -0.21 2.41 -3.11 0.00 0.00 179.97 178.33 1ek1 n THR 402 N -4.91 -0.25 -0.11 0.20 -1.04 -0.78 -1.45 114.28 105.94 1ek1 n THR 402 Ca -0.06 0.90 -0.12 0.00 -2.04 0.00 0.00 64.05 62.72 1ek1 n THR 402 Cb 0.21 -1.11 -0.03 0.00 -1.82 0.00 0.00 70.33 67.57 1ek1 n THR 402 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 1ek1 h PHE 403 N 0.00 0.83 0.00 -1.42 0.04 -1.25 -1.83 116.94 113.31 1ek1 h PHE 403 Ca 0.06 -0.21 -0.03 0.00 2.80 0.00 0.00 57.97 60.59 1ek1 h PHE 403 Cb 0.15 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.11 1ek1 h PHE 403 CO -0.39 0.93 -0.13 1.57 -0.60 0.00 0.00 178.31 179.69 1ek1 h LYS 404 N 0.48 0.00 0.20 1.51 2.10 -1.33 0.19 116.57 119.72 1ek1 h LYS 404 Ca 0.07 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.71 1ek1 h LYS 404 Cb 0.73 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 1ek1 h LYS 404 CO 0.05 0.13 -0.09 0.77 -2.00 0.00 0.00 179.45 178.31 1ek1 h SER 405 N 0.00 -0.22 0.37 7.07 0.02 -1.16 -3.34 113.55 116.29 1ek1 h SER 405 Ca -0.00 -0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1ek1 h SER 405 Cb 0.34 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 1ek1 h SER 405 CO 0.02 0.30 -0.33 -0.26 -1.14 0.00 0.00 176.83 175.42 1ek1 h PHE 406 N -0.87 -0.89 -2.42 3.45 -1.00 -0.93 -3.38 116.94 110.90 1ek1 h PHE 406 Ca -0.03 0.00 -0.63 0.00 2.81 0.00 0.00 57.97 60.12 1ek1 h PHE 406 Cb 0.51 0.34 -0.14 0.00 3.61 0.00 0.00 35.95 40.27 1ek1 h PHE 406 CO 0.07 -0.48 0.75 -0.06 -1.61 0.00 0.00 178.31 176.99 1ek1 s PHE 407 N -6.02 2.72 0.12 -0.55 0.08 0.64 -4.90 117.98 110.07 1ek1 s PHE 407 Ca -0.17 -0.72 -0.02 0.00 0.12 0.00 0.00 56.93 56.14 1ek1 s PHE 407 Cb 0.06 -4.36 -0.04 0.00 -0.57 0.00 0.00 43.02 38.11 1ek1 s PHE 407 CO 0.63 -1.68 0.07 1.03 -0.10 0.00 0.00 175.22 175.17 1ek1 s ARG 408 N 4.00 0.90 0.00 0.44 0.52 -1.26 -4.59 118.95 118.96 1ek1 s ARG 408 Ca 0.28 -1.38 0.00 0.00 -0.52 0.00 0.00 55.73 54.11 1ek1 s ARG 408 Cb -0.12 0.25 0.00 0.00 0.52 0.00 0.00 34.95 35.61 1ek1 s ARG 408 CO 0.04 -0.25 0.00 0.00 0.02 0.00 0.00 175.30 175.11 1ek1 n ALA 409 N -0.08 0.00 0.24 2.13 0.00 -1.26 -4.76 120.51 116.78 1ek1 n ALA 409 Ca -0.07 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.40 1ek1 n ALA 409 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.07 1ek1 n ALA 409 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ek1 n SER 410 N 0.00 0.51 -2.51 0.00 3.41 -1.26 -4.51 113.62 109.26 1ek1 n SER 410 Ca 0.00 -0.76 -0.17 0.00 -0.26 0.00 0.00 58.87 57.68 1ek1 n SER 410 Cb 0.00 0.78 0.02 0.00 -0.26 0.00 0.00 64.21 64.75 1ek1 n SER 410 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ek1 n ASP 411 N -0.80 3.26 -3.90 4.04 5.75 -1.26 -5.03 116.55 118.61 1ek1 n ASP 411 Ca 0.01 -3.17 -0.22 0.00 -0.01 0.00 0.00 54.79 51.40 1ek1 n ASP 411 Cb 0.09 -0.47 -0.17 0.00 -1.03 0.00 0.00 41.12 39.55 1ek1 n ASP 411 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1ek1 s GLU 412 N -3.45 1.06 0.41 0.11 2.56 -1.26 -5.12 118.70 113.01 1ek1 s GLU 412 Ca 0.39 -0.16 -0.16 0.00 0.00 0.00 0.00 54.97 55.04 1ek1 s GLU 412 Cb 0.41 -1.06 -0.09 0.00 2.00 0.00 0.00 34.13 35.39 1ek1 s GLU 412 CO -0.06 -0.11 0.86 0.95 -0.56 0.00 0.00 175.26 176.34 1ek1 s THR 413 N 1.10 4.57 0.00 -1.70 -4.23 -1.26 -4.29 115.64 109.84 1ek1 s THR 413 Ca -0.08 1.12 0.00 0.00 -1.18 0.00 0.00 61.69 61.55 1ek1 s THR 413 Cb -0.14 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.05 1ek1 s THR 413 CO -0.01 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 1ek1 n GLY 414 N -0.85 0.79 0.00 3.99 0.00 -1.26 -5.01 105.19 102.85 1ek1 n GLY 414 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1ek1 n GLY 414 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ek1 n PHE 415 N -2.36 -0.16 -3.01 1.61 -0.00 -1.26 -4.64 117.46 107.63 1ek1 n PHE 415 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.45 57.27 1ek1 n PHE 415 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 39.48 39.50 1ek1 n PHE 415 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1ek1 s ILE 416 N 0.00 2.80 -0.87 -2.13 1.09 -1.26 -4.58 121.20 116.25 1ek1 s ILE 416 Ca 0.00 -1.00 0.01 0.00 -1.10 0.00 0.00 60.65 58.56 1ek1 s ILE 416 Cb 0.00 -2.81 0.32 0.00 -1.06 0.00 0.00 42.46 38.92 1ek1 s ILE 416 CO 0.00 0.00 1.50 0.00 -0.10 0.00 0.00 174.94 176.34 1ek1 n ALA 417 N -1.95 5.55 -0.27 9.38 0.00 -1.17 -4.93 120.51 127.13 1ek1 n ALA 417 Ca 0.10 -4.65 -0.07 0.00 0.00 0.00 0.00 53.44 48.81 1ek1 n ALA 417 Cb 0.60 -1.68 -0.07 0.00 0.00 0.00 0.00 19.45 18.30 1ek1 n ALA 417 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ek1 n VAL 418 N -0.06 -0.44 -0.10 0.00 0.31 -1.26 -1.85 118.33 114.93 1ek1 n VAL 418 Ca 0.41 1.70 -0.15 0.00 -0.01 0.00 0.00 64.34 66.28 1ek1 n VAL 418 Cb 0.31 -2.11 -0.14 0.00 -0.91 0.00 0.00 33.84 30.99 1ek1 n VAL 418 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ek1 n HIS 419 N -4.67 0.21 0.31 3.52 1.44 -1.25 0.40 115.22 115.19 1ek1 n HIS 419 Ca 0.01 0.05 0.16 0.00 -2.01 0.00 0.00 57.72 55.94 1ek1 n HIS 419 Cb 0.17 -1.03 0.66 0.00 0.12 0.00 0.00 29.99 29.90 1ek1 n HIS 419 CO 0.00 0.00 0.00 1.57 -2.81 0.00 0.00 176.34 175.10 1ek1 h LYS 420 N 0.01 0.00 -0.37 -1.40 2.10 -1.87 -3.36 116.57 111.68 1ek1 h LYS 420 Ca -0.53 0.00 0.13 0.00 -2.00 0.00 0.00 60.65 58.25 1ek1 h LYS 420 Cb 2.03 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 33.32 1ek1 h LYS 420 CO -0.02 0.00 0.24 0.00 -2.00 0.00 0.00 179.45 177.67 1ek1 n ALA 421 N -2.00 0.37 0.01 0.07 0.00 -0.77 0.14 120.51 118.33 1ek1 n ALA 421 Ca 0.01 0.24 -0.21 0.00 0.00 0.00 0.00 53.44 53.48 1ek1 n ALA 421 Cb 0.27 -0.29 -0.14 0.00 0.00 0.00 0.00 19.45 19.29 1ek1 n ALA 421 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1ek1 h THR 422 N 0.00 1.08 0.00 0.00 1.35 -1.88 -0.38 112.91 113.08 1ek1 h THR 422 Ca 0.24 -2.40 0.00 0.00 -0.55 0.00 0.00 66.41 63.70 1ek1 h THR 422 Cb 0.77 2.75 0.00 0.00 -1.73 0.00 0.00 68.15 69.94 1ek1 h THR 422 CO -0.13 0.69 0.00 1.21 -0.25 0.00 0.00 175.52 177.04 1ek1 n GLU 423 N -3.97 0.00 0.08 4.72 2.13 0.37 -1.94 120.64 122.03 1ek1 n GLU 423 Ca -0.24 0.33 0.20 0.00 0.66 0.00 0.00 57.16 58.11 1ek1 n GLU 423 Cb 0.88 -1.25 0.65 0.00 0.27 0.00 0.00 31.44 31.99 1ek1 n GLU 423 CO 0.00 0.00 0.00 -0.84 -0.41 0.00 0.00 177.13 175.88 1ek1 h ILE 424 N 0.00 0.20 -4.49 6.31 3.07 -1.25 -3.45 117.51 117.90 1ek1 h ILE 424 Ca 0.00 0.00 -0.26 0.00 1.55 0.00 0.00 64.86 66.15 1ek1 h ILE 424 Cb 0.00 0.47 0.11 0.00 -0.27 0.00 0.00 36.82 37.13 1ek1 h ILE 424 CO 0.00 0.00 -0.51 0.61 -1.05 0.00 0.00 178.15 177.20 1ek1 n GLY 425 N -1.49 -0.11 0.00 0.16 0.00 -0.73 -4.97 105.19 98.04 1ek1 n GLY 425 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1ek1 n GLY 425 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ek1 n GLY 426 N -1.37 1.70 0.00 -0.02 0.00 -0.23 -5.00 105.19 100.28 1ek1 n GLY 426 Ca -0.08 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1ek1 n GLY 426 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1ek1 n ILE 427 N 0.00 0.00 -0.06 -0.61 3.06 -1.26 -2.36 119.36 118.13 1ek1 n ILE 427 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1ek1 n ILE 427 Cb 0.00 -0.83 0.00 0.00 0.54 0.00 0.00 39.64 39.35 1ek1 n ILE 427 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1ek1 n LEU 428 N -0.83 0.12 0.06 9.51 4.77 -1.26 -3.02 117.00 126.35 1ek1 n LEU 428 Ca 0.00 -0.39 0.03 0.00 -0.03 0.00 0.00 56.01 55.63 1ek1 n LEU 428 Cb 0.00 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.27 1ek1 n LEU 428 CO 0.00 0.03 0.62 0.52 -1.33 0.00 0.00 177.39 177.23 1ek1 n VAL 429 N -0.54 1.21 0.41 4.08 0.31 -0.99 0.30 118.33 123.10 1ek1 n VAL 429 Ca 0.00 0.60 0.05 0.00 -0.01 0.00 0.00 64.34 64.97 1ek1 n VAL 429 Cb 0.02 -1.60 0.03 0.00 -0.91 0.00 0.00 33.84 31.38 1ek1 n VAL 429 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1ek1 n ASN 430 N -1.67 1.64 -4.76 4.52 6.94 -1.26 -4.96 115.26 115.71 1ek1 n ASN 430 Ca -0.00 -1.32 -0.40 0.00 -0.02 0.00 0.00 54.58 52.84 1ek1 n ASN 430 Cb 0.16 0.13 -0.05 0.00 -2.36 0.00 0.00 39.78 37.65 1ek1 n ASN 430 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1ek1 s THR 431 N -0.94 4.43 1.03 5.53 2.01 0.15 -4.87 115.64 122.98 1ek1 s THR 431 Ca 0.10 1.81 -0.16 0.00 0.31 0.00 0.00 61.69 63.76 1ek1 s THR 431 Cb 0.08 -4.20 0.24 0.00 0.01 0.00 0.00 72.50 68.64 1ek1 s THR 431 CO 0.15 0.44 0.55 -2.65 -0.69 0.00 0.00 174.62 172.42 1ek1 n PRO 432 N 2.09 -2.94 -0.01 4.92 -0.02 -1.26 -4.92 135.00 132.87 1ek1 n PRO 432 Ca -0.03 -0.92 0.09 0.00 -2.02 0.00 0.00 63.50 60.62 1ek1 n PRO 432 Cb 0.49 -1.39 -0.13 0.00 -0.02 0.00 0.00 33.50 32.45 1ek1 n PRO 432 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ek1 n GLU 433 N -3.41 0.67 -3.28 -0.52 -0.58 -1.26 -4.54 120.64 107.71 1ek1 n GLU 433 Ca 0.09 -0.13 -0.26 0.00 -0.42 0.00 0.00 57.16 56.44 1ek1 n GLU 433 Cb 0.38 -1.39 -0.07 0.00 -0.57 0.00 0.00 31.44 29.79 1ek1 n GLU 433 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1ek1 n ASP 434 N -1.99 2.64 -4.46 1.62 4.64 -1.26 -4.95 116.55 112.79 1ek1 n ASP 434 Ca -0.02 -3.23 -0.48 0.00 -1.38 0.00 0.00 54.79 49.68 1ek1 n ASP 434 Cb 0.42 -0.65 -0.03 0.00 -1.04 0.00 0.00 41.12 39.83 1ek1 n ASP 434 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 1ek1 n PRO 435 N 0.84 0.42 -2.80 -0.67 -0.02 -1.26 -4.93 135.00 126.58 1ek1 n PRO 435 Ca 0.27 0.15 -0.38 0.00 -2.02 0.00 0.00 63.50 61.52 1ek1 n PRO 435 Cb 0.46 -1.30 -0.06 0.00 -0.02 0.00 0.00 33.50 32.58 1ek1 n PRO 435 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1ek1 s ASN 436 N -0.78 7.46 -0.18 2.55 3.04 -1.26 -4.96 114.94 120.81 1ek1 s ASN 436 Ca 0.64 1.85 -0.29 0.00 0.04 0.00 0.00 52.86 55.10 1ek1 s ASN 436 Cb -0.88 -2.58 -0.04 0.00 -1.54 0.00 0.00 41.25 36.21 1ek1 s ASN 436 CO 0.57 0.06 1.71 -0.22 -3.04 0.00 0.00 177.10 176.18 1ek1 s LEU 437 N -1.60 3.95 0.15 3.21 0.20 -1.26 -4.90 118.68 118.43 1ek1 s LEU 437 Ca 0.45 1.82 -0.34 0.00 0.69 0.00 0.00 54.13 56.74 1ek1 s LEU 437 Cb -0.22 -3.53 -0.15 0.00 -0.43 0.00 0.00 46.19 41.86 1ek1 s LEU 437 CO 0.27 -1.27 1.38 -0.24 -0.29 0.00 0.00 176.35 176.20 1ek1 n SER 438 N 8.53 2.17 0.00 3.68 2.88 -1.26 -4.76 113.62 124.87 1ek1 n SER 438 Ca 0.20 1.12 0.02 0.00 -1.33 0.00 0.00 58.87 58.88 1ek1 n SER 438 Cb 0.45 -1.30 0.13 0.00 -0.75 0.00 0.00 64.21 62.74 1ek1 n SER 438 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1ek1 n LYS 439 N 2.50 0.21 -0.30 -1.46 2.85 -1.26 -1.79 118.16 118.92 1ek1 n LYS 439 Ca 0.16 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.50 1ek1 n LYS 439 Cb 0.25 -1.33 0.23 0.00 -0.65 0.00 0.00 35.03 33.53 1ek1 n LYS 439 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 177.40 178.86 1ek1 n ILE 440 N -0.83 1.20 -3.96 0.58 0.13 -1.26 -4.98 119.36 110.24 1ek1 n ILE 440 Ca 0.03 -1.10 -0.09 0.00 -1.10 0.00 0.00 62.75 60.50 1ek1 n ILE 440 Cb 0.02 0.40 -0.05 0.00 -0.84 0.00 0.00 39.64 39.17 1ek1 n ILE 440 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 1ek1 s THR 441 N -1.24 0.00 0.45 9.51 -4.23 -0.74 -4.88 115.64 114.51 1ek1 s THR 441 Ca 0.35 -1.30 0.06 0.00 -1.18 0.00 0.00 61.69 59.62 1ek1 s THR 441 Cb 0.20 -2.11 -0.04 0.00 1.34 0.00 0.00 72.50 71.88 1ek1 s THR 441 CO 0.21 -0.02 0.12 0.42 -0.54 0.00 0.00 174.62 174.81 1ek1 s THR 442 N -3.99 1.90 0.32 3.99 -4.23 -1.26 -4.75 115.64 107.62 1ek1 s THR 442 Ca 0.19 -1.82 0.07 0.00 -1.18 0.00 0.00 61.69 58.96 1ek1 s THR 442 Cb -0.01 -2.72 0.07 0.00 1.34 0.00 0.00 72.50 71.17 1ek1 s THR 442 CO 0.08 0.00 1.75 -0.08 -0.54 0.00 0.00 174.62 175.83 1ek1 h GLU 443 N 1.42 0.23 0.03 3.99 4.81 -2.00 -2.22 114.58 120.84 1ek1 h GLU 443 Ca -0.43 -0.10 -0.27 0.00 -0.13 0.00 0.00 59.36 58.44 1ek1 h GLU 443 Cb 1.27 -0.01 0.02 0.00 0.63 0.00 0.00 28.75 30.66 1ek1 h GLU 443 CO 0.72 0.56 -1.05 0.93 -0.73 0.00 0.00 179.01 179.44 1ek1 h GLU 444 N 0.20 0.66 -0.95 1.92 3.07 -1.98 -1.13 114.58 116.38 1ek1 h GLU 444 Ca 0.02 -0.75 0.22 0.00 -0.50 0.00 0.00 59.36 58.35 1ek1 h GLU 444 Cb 0.71 0.22 -0.08 0.00 -0.84 0.00 0.00 28.75 28.77 1ek1 h GLU 444 CO 0.05 1.33 0.62 0.93 -1.40 0.00 0.00 179.01 180.54 1ek1 h GLU 445 N 0.33 0.44 0.03 2.33 5.08 -1.87 0.13 114.58 121.05 1ek1 h GLU 445 Ca -0.14 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1ek1 h GLU 445 Cb 1.72 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.87 1ek1 h GLU 445 CO 0.21 0.29 -0.02 0.82 -1.00 0.00 0.00 179.01 179.31 1ek1 h ILE 446 N 0.45 1.26 -1.02 3.13 1.08 -1.22 -3.25 117.51 117.96 1ek1 h ILE 446 Ca 0.51 -1.76 0.29 0.00 -0.39 0.00 0.00 64.86 63.52 1ek1 h ILE 446 Cb 1.22 2.31 -0.14 0.00 -3.07 0.00 0.00 36.82 37.14 1ek1 h ILE 446 CO -0.23 0.40 0.59 -0.08 -0.69 0.00 0.00 178.15 178.14 1ek1 h GLU 447 N -0.92 0.41 0.99 2.37 4.22 0.25 0.45 114.58 122.34 1ek1 h GLU 447 Ca -0.00 -0.02 -0.05 0.00 0.08 0.00 0.00 59.36 59.36 1ek1 h GLU 447 Cb 0.69 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.85 1ek1 h GLU 447 CO 0.01 0.27 -0.47 0.35 -2.18 0.00 0.00 179.01 176.98 1ek1 h PHE 448 N 0.42 -1.23 -0.90 0.92 3.57 -0.90 -0.99 116.94 117.84 1ek1 h PHE 448 Ca 0.70 -0.03 0.25 0.00 3.53 0.00 0.00 57.97 62.41 1ek1 h PHE 448 Cb 1.52 0.41 -0.15 0.00 2.79 0.00 0.00 35.95 40.51 1ek1 h PHE 448 CO -0.01 -0.76 0.19 1.88 -2.23 0.00 0.00 178.31 177.38 1ek1 h TYR 449 N -1.32 0.26 0.30 0.41 -1.99 -0.99 0.41 116.97 114.04 1ek1 h TYR 449 Ca -0.14 0.05 -0.01 0.00 2.00 0.00 0.00 58.73 60.64 1ek1 h TYR 449 Cb 1.01 0.03 -0.01 0.00 2.00 0.00 0.00 36.73 39.77 1ek1 h TYR 449 CO -0.00 -0.28 -0.22 0.82 -0.00 0.00 0.00 178.16 178.48 1ek1 h ILE 450 N 0.14 0.00 -0.73 -2.88 2.04 -0.95 -0.77 117.51 114.37 1ek1 h ILE 450 Ca 0.57 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.58 1ek1 h ILE 450 Cb 1.17 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.14 1ek1 h ILE 450 CO -0.72 0.00 0.17 -0.61 0.00 0.00 0.00 178.15 176.99 1ek1 h GLN 451 N -0.51 0.26 0.00 2.37 4.15 -0.06 0.98 115.11 122.31 1ek1 h GLN 451 Ca -0.04 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 1ek1 h GLN 451 Cb 0.42 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.05 1ek1 h GLN 451 CO 0.01 0.17 -0.07 1.96 -1.93 0.00 0.00 178.83 178.98 1ek1 h GLN 452 N 0.26 0.00 0.00 1.69 1.08 -0.15 -2.70 115.11 115.29 1ek1 h GLN 452 Ca 0.41 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.61 1ek1 h GLN 452 Cb 0.69 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 1ek1 h GLN 452 CO -0.51 0.07 -1.56 1.19 -0.95 0.00 0.00 178.83 177.08 1ek1 n PHE 453 N -3.73 0.24 0.19 2.96 3.01 0.30 -3.97 117.46 116.45 1ek1 n PHE 453 Ca -0.02 0.07 0.03 0.00 1.01 0.00 0.00 57.45 58.54 1ek1 n PHE 453 Cb 0.17 -0.54 0.42 0.00 -0.01 0.00 0.00 39.48 39.52 1ek1 n PHE 453 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1ek1 h LYS 454 N 0.00 0.04 -0.22 -1.08 1.79 0.11 0.45 116.57 117.66 1ek1 h LYS 454 Ca 0.00 -0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.37 1ek1 h LYS 454 Cb 0.91 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1ek1 h LYS 454 CO 0.00 0.30 -0.20 0.87 -1.08 0.00 0.00 179.45 179.34 1ek1 h LYS 455 N 0.03 0.52 0.00 3.15 1.57 -1.69 -3.33 116.57 116.82 1ek1 h LYS 455 Ca 0.00 -0.27 -0.14 0.00 -1.87 0.00 0.00 60.65 58.38 1ek1 h LYS 455 Cb 0.49 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1ek1 h LYS 455 CO 0.04 0.85 -1.36 0.25 -0.57 0.00 0.00 179.45 178.66 1ek1 n THR 456 N -4.42 1.06 -4.50 -0.16 -2.24 -1.01 -5.08 114.28 97.93 1ek1 n THR 456 Ca -0.05 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 1ek1 n THR 456 Cb 0.41 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 1ek1 n THR 456 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ek1 n GLY 457 N 1.36 -1.33 0.00 3.38 0.00 0.16 -4.50 105.19 104.25 1ek1 n GLY 457 Ca -0.08 -1.19 0.05 0.00 0.00 0.00 0.00 46.02 44.80 1ek1 n GLY 457 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ek1 n PHE 458 N -0.85 0.00 0.00 1.61 3.01 -1.26 -4.71 117.46 115.26 1ek1 n PHE 458 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1ek1 n PHE 458 Cb 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.39 1ek1 n PHE 458 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1ek1 n ARG 459 N -1.44 0.00 -0.24 -1.08 0.00 -1.26 -2.10 116.66 110.54 1ek1 n ARG 459 Ca 0.01 0.64 0.04 0.00 -0.00 0.00 0.00 57.85 58.53 1ek1 n ARG 459 Cb 0.21 -1.10 0.14 0.00 0.00 0.00 0.00 32.46 31.70 1ek1 n ARG 459 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1ek1 h GLY 460 N 0.00 0.77 1.05 5.14 0.00 -1.84 0.64 103.07 108.83 1ek1 h GLY 460 Ca 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 1ek1 h GLY 460 CO 0.00 -0.25 0.57 -2.55 0.00 0.00 0.00 176.54 174.31 1ek1 h PRO 461 N 0.11 1.26 -0.16 4.80 0.11 -1.69 -2.48 132.00 133.95 1ek1 h PRO 461 Ca 0.38 -0.11 -0.09 0.00 0.11 0.00 0.00 66.00 66.29 1ek1 h PRO 461 Cb 0.65 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 1ek1 h PRO 461 CO -0.62 0.87 -0.29 -0.07 -0.21 0.00 0.00 178.00 177.68 1ek1 h LEU 462 N 1.28 0.31 -0.29 2.35 4.07 -0.62 -3.06 115.31 119.35 1ek1 h LEU 462 Ca 0.34 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.19 1ek1 h LEU 462 Cb -0.07 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.59 1ek1 h LEU 462 CO -0.06 0.60 0.27 0.59 -1.08 0.00 0.00 178.44 178.76 1ek1 n ASN 463 N -4.12 0.11 0.07 -0.43 4.13 0.08 -1.22 115.26 113.89 1ek1 n ASN 463 Ca -0.01 0.36 -0.05 0.00 1.68 0.00 0.00 54.58 56.56 1ek1 n ASN 463 Cb 0.40 -0.34 0.13 0.00 -1.54 0.00 0.00 39.78 38.44 1ek1 n ASN 463 CO 0.00 0.00 0.00 -0.50 0.28 0.00 0.00 177.26 177.04 1ek1 h TRP 464 N 0.00 0.39 0.48 3.10 4.06 -1.66 -3.27 115.95 119.04 1ek1 h TRP 464 Ca 0.00 -0.13 -0.02 0.00 2.06 0.00 0.00 58.89 60.79 1ek1 h TRP 464 Cb 0.54 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 28.63 1ek1 h TRP 464 CO 0.00 0.79 -0.23 1.88 -3.56 0.00 0.00 178.44 177.31 1ek1 h TYR 465 N 0.24 -0.60 0.00 0.49 0.05 -1.42 -3.37 116.97 112.37 1ek1 h TYR 465 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1ek1 h TYR 465 Cb 1.03 0.20 0.00 0.00 1.01 0.00 0.00 36.73 38.97 1ek1 h TYR 465 CO 0.02 -0.37 0.00 0.54 -1.05 0.00 0.00 178.16 177.30 1ek1 n ARG 466 N -4.83 0.00 -1.56 4.88 1.74 -1.23 -2.19 116.66 113.46 1ek1 n ARG 466 Ca -0.08 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.96 1ek1 n ARG 466 Cb 0.25 -0.84 0.09 0.00 -1.02 0.00 0.00 32.46 30.95 1ek1 n ARG 466 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1ek1 n ASN 467 N 0.01 2.42 -0.17 0.55 3.02 -1.26 -4.89 115.26 114.94 1ek1 n ASN 467 Ca 0.00 -3.14 -0.09 0.00 -0.03 0.00 0.00 54.58 51.32 1ek1 n ASN 467 Cb 0.00 -0.42 -0.05 0.00 -0.61 0.00 0.00 39.78 38.70 1ek1 n ASN 467 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1ek1 h THR 468 N 3.39 0.09 0.42 3.41 2.02 -1.74 -1.40 112.91 119.10 1ek1 h THR 468 Ca 0.03 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 1ek1 h THR 468 Cb 1.39 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1ek1 h THR 468 CO 0.26 0.00 -0.20 -0.08 0.37 0.00 0.00 175.52 175.87 1ek1 h GLU 469 N -0.28 -0.55 -0.13 6.66 4.57 -1.90 -2.96 114.58 119.99 1ek1 h GLU 469 Ca 0.15 0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.41 1ek1 h GLU 469 Cb 0.57 0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.24 1ek1 h GLU 469 CO -0.64 -0.25 -0.13 0.07 -1.18 0.00 0.00 179.01 176.89 1ek1 h ARG 470 N -0.84 -0.14 -0.71 1.92 0.11 -1.96 0.19 114.38 112.96 1ek1 h ARG 470 Ca -0.06 0.01 0.14 0.00 0.10 0.00 0.00 59.98 60.17 1ek1 h ARG 470 Cb 0.55 0.03 -0.13 0.00 1.11 0.00 0.00 29.97 31.53 1ek1 h ARG 470 CO 0.10 -0.10 -0.18 -0.91 0.10 0.00 0.00 179.97 178.98 1ek1 h ASN 471 N -0.15 -0.68 0.29 0.08 2.35 -1.32 0.70 115.58 116.86 1ek1 h ASN 471 Ca 0.09 0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1ek1 h ASN 471 Cb 0.28 0.45 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 1ek1 h ASN 471 CO -0.22 -0.24 -0.24 -0.25 -1.65 0.00 0.00 177.43 174.83 1ek1 h TRP 472 N -0.01 -0.64 -0.90 1.19 7.01 -1.12 -0.26 115.95 121.22 1ek1 h TRP 472 Ca 0.34 0.00 0.25 0.00 2.11 0.00 0.00 58.89 61.59 1ek1 h TRP 472 Cb 0.52 0.24 -0.15 0.00 -2.10 0.00 0.00 29.16 27.68 1ek1 h TRP 472 CO -0.57 -0.36 0.26 -0.22 -2.79 0.00 0.00 178.44 174.76 1ek1 h LYS 473 N -0.55 0.19 0.22 2.65 1.63 0.31 -1.51 116.57 119.52 1ek1 h LYS 473 Ca -0.02 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1ek1 h LYS 473 Cb 0.49 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 1ek1 h LYS 473 CO -0.02 0.12 -0.11 2.35 -3.45 0.00 0.00 179.45 178.35 1ek1 h TRP 474 N 0.19 -0.28 0.00 1.91 7.01 0.58 -3.30 115.95 122.07 1ek1 h TRP 474 Ca 0.59 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.58 1ek1 h TRP 474 Cb 1.22 0.09 0.00 0.00 -2.10 0.00 0.00 29.16 28.37 1ek1 h TRP 474 CO -0.25 -0.04 0.26 0.77 -2.79 0.00 0.00 178.44 176.39 1ek1 h SER 475 N -1.03 0.00 0.00 2.65 0.02 -0.70 -2.99 113.55 111.50 1ek1 h SER 475 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1ek1 h SER 475 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1ek1 h SER 475 CO 0.05 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.74 1ek1 n LYS 477 N 1.74 1.97 -0.26 0.00 5.02 -1.13 -4.64 118.16 120.86 1ek1 n LYS 477 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.30 1ek1 n LYS 477 Cb 0.24 -0.50 0.10 0.00 -0.02 0.00 0.00 35.03 34.85 1ek1 n LYS 477 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ek1 n GLY 478 N 0.33 2.02 0.09 0.72 0.00 -0.25 -3.41 105.19 104.69 1ek1 n GLY 478 Ca 0.00 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 1ek1 n GLY 478 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ek1 h LEU 479 N 1.07 0.24 0.00 0.99 3.38 -1.82 -3.24 115.31 115.93 1ek1 h LEU 479 Ca 0.03 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1ek1 h LEU 479 Cb 0.99 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1ek1 h LEU 479 CO 0.16 1.17 -0.71 1.23 0.09 0.00 0.00 178.44 180.38 1ek1 h GLY 480 N 2.17 0.00 -1.22 0.83 0.00 -1.93 -3.47 103.07 99.45 1ek1 h GLY 480 Ca -0.07 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.80 1ek1 h GLY 480 CO 0.17 0.00 0.19 0.50 0.00 0.00 0.00 176.54 177.40 1ek1 s ARG 481 N -3.24 2.13 0.03 4.80 0.52 -1.22 -5.12 118.95 116.84 1ek1 s ARG 481 Ca 0.02 -0.39 0.02 0.00 -0.52 0.00 0.00 55.73 54.85 1ek1 s ARG 481 Cb 0.08 -2.21 -0.02 0.00 0.52 0.00 0.00 34.95 33.32 1ek1 s ARG 481 CO 0.75 -1.24 -0.06 0.21 0.02 0.00 0.00 175.30 174.98 1ek1 s LYS 482 N -5.21 0.45 -0.22 3.54 2.20 -1.26 -4.99 119.74 114.25 1ek1 s LYS 482 Ca 0.61 -0.63 -0.20 0.00 -0.36 0.00 0.00 55.97 55.39 1ek1 s LYS 482 Cb -0.10 -0.22 -0.02 0.00 -1.51 0.00 0.00 37.83 35.98 1ek1 s LYS 482 CO 0.44 0.04 0.62 0.42 -0.36 0.00 0.00 175.35 176.51 1ek1 s ILE 483 N -1.18 5.01 -0.06 5.43 1.01 -1.05 -4.94 121.20 125.41 1ek1 s ILE 483 Ca -0.09 1.15 0.05 0.00 0.00 0.00 0.00 60.65 61.75 1ek1 s ILE 483 Cb -0.09 -3.93 -0.07 0.00 0.01 0.00 0.00 42.46 38.38 1ek1 s ILE 483 CO 0.00 0.08 0.01 0.18 0.00 0.00 0.00 174.94 175.20 1ek1 n LEU 484 N 5.33 0.53 -4.68 2.97 4.77 -1.26 -4.42 117.00 120.24 1ek1 n LEU 484 Ca -0.01 -0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.54 1ek1 n LEU 484 Cb 0.49 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1ek1 n LEU 484 CO 0.43 0.24 0.83 1.33 -1.33 0.00 0.00 177.39 178.89 1ek1 n VAL 485 N -2.31 2.31 -1.45 4.08 0.24 -1.26 -4.82 118.33 115.12 1ek1 n VAL 485 Ca -0.11 -0.50 -0.55 0.00 -2.04 0.00 0.00 64.34 61.15 1ek1 n VAL 485 Cb 0.69 -1.48 -0.06 0.00 -1.47 0.00 0.00 33.84 31.52 1ek1 n VAL 485 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1ek1 n PRO 486 N 0.28 0.00 -4.15 7.34 -0.02 -1.26 -4.76 135.00 132.43 1ek1 n PRO 486 Ca 0.06 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.41 1ek1 n PRO 486 Cb 0.38 -1.32 -0.11 0.00 -0.02 0.00 0.00 33.50 32.43 1ek1 n PRO 486 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ek1 s ALA 487 N -0.33 0.95 -0.05 3.55 0.00 -1.26 -0.88 121.76 123.74 1ek1 s ALA 487 Ca 0.81 -1.14 -0.03 0.00 0.00 0.00 0.00 51.96 51.60 1ek1 s ALA 487 Cb -1.15 0.07 0.03 0.00 0.00 0.00 0.00 23.12 22.07 1ek1 s ALA 487 CO 0.56 -0.09 0.12 -1.17 0.00 0.00 0.00 175.76 175.18 1ek1 s LEU 488 N -2.42 1.06 -0.21 0.00 0.20 -0.45 -2.18 118.68 114.68 1ek1 s LEU 488 Ca 0.04 0.24 0.01 0.00 0.69 0.00 0.00 54.13 55.11 1ek1 s LEU 488 Cb -0.02 0.31 0.04 0.00 -0.43 0.00 0.00 46.19 46.10 1ek1 s LEU 488 CO -0.01 -0.11 -0.12 -0.32 -0.29 0.00 0.00 176.35 175.50 1ek1 s MET 489 N 0.78 2.20 -0.22 1.98 1.75 -0.67 -1.72 119.30 123.39 1ek1 s MET 489 Ca -0.06 -0.93 -0.05 0.00 -1.25 0.00 0.00 55.69 53.40 1ek1 s MET 489 Cb -0.08 -2.52 -0.02 0.00 2.84 0.00 0.00 34.83 35.05 1ek1 s MET 489 CO -0.04 -0.42 -0.00 0.08 -0.65 0.00 0.00 175.02 173.99 1ek1 s VAL 490 N 1.33 3.79 0.01 10.11 1.01 -1.01 0.61 120.40 136.26 1ek1 s VAL 490 Ca -0.02 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1ek1 s VAL 490 Cb -0.16 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1ek1 s VAL 490 CO -0.08 0.41 0.02 0.42 0.00 0.00 0.00 175.10 175.87 1ek1 s THR 491 N 1.28 4.28 -0.31 3.92 -4.23 0.29 -0.10 115.64 120.77 1ek1 s THR 491 Ca 0.04 -0.60 -0.09 0.00 -1.18 0.00 0.00 61.69 59.86 1ek1 s THR 491 Cb -0.15 -2.94 -0.01 0.00 1.34 0.00 0.00 72.50 70.75 1ek1 s THR 491 CO 0.00 0.34 0.14 0.00 -0.54 0.00 0.00 174.62 174.57 1ek1 s ALA 492 N -1.14 3.26 0.28 3.99 0.00 -1.26 -1.31 121.76 125.57 1ek1 s ALA 492 Ca 0.21 -1.37 -0.05 0.00 0.00 0.00 0.00 51.96 50.75 1ek1 s ALA 492 Cb -0.12 -2.34 0.55 0.00 0.00 0.00 0.00 23.12 21.21 1ek1 s ALA 492 CO 0.12 -0.87 1.58 1.49 0.00 0.00 0.00 175.76 178.08 1ek1 h GLU 493 N 8.33 0.02 -0.78 0.00 4.81 -1.49 -2.84 114.58 122.64 1ek1 h GLU 493 Ca -0.32 -0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.38 1ek1 h GLU 493 Cb 1.15 -0.00 -0.31 0.00 0.63 0.00 0.00 28.75 30.21 1ek1 h GLU 493 CO 0.61 0.01 0.03 1.63 -0.73 0.00 0.00 179.01 180.56 1ek1 n LYS 494 N -5.52 2.85 -2.67 1.92 5.02 -1.03 -4.77 118.16 113.97 1ek1 n LYS 494 Ca 0.18 -3.60 -0.43 0.00 -2.02 0.00 0.00 58.31 52.44 1ek1 n LYS 494 Cb 0.58 -2.19 -0.02 0.00 -0.02 0.00 0.00 35.03 33.38 1ek1 n LYS 494 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ek1 s ASP 495 N -2.62 6.84 0.13 4.39 2.15 -1.07 -4.54 116.67 121.94 1ek1 s ASP 495 Ca 0.55 0.89 -0.20 0.00 0.43 0.00 0.00 52.55 54.22 1ek1 s ASP 495 Cb 0.45 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 40.51 1ek1 s ASP 495 CO 0.02 -0.92 1.72 0.40 -0.17 0.00 0.00 175.17 176.22 1ek1 h ILE 496 N 5.81 0.85 -3.59 4.11 5.03 -1.91 -3.18 117.51 124.63 1ek1 h ILE 496 Ca -0.21 -0.02 -0.67 0.00 -0.12 0.00 0.00 64.86 63.84 1ek1 h ILE 496 Cb 1.06 0.80 -0.16 0.00 -3.03 0.00 0.00 36.82 35.49 1ek1 h ILE 496 CO 1.03 0.01 -0.74 0.54 -0.68 0.00 0.00 178.15 178.31 1ek1 s VAL 497 N -6.19 3.32 -0.37 1.67 0.11 -1.26 -4.51 120.40 113.17 1ek1 s VAL 497 Ca -0.13 -1.25 -0.01 0.00 -2.93 0.00 0.00 61.98 57.66 1ek1 s VAL 497 Cb 0.10 -2.54 0.00 0.00 -1.53 0.00 0.00 36.38 32.41 1ek1 s VAL 497 CO 0.68 0.14 0.11 0.18 -3.33 0.00 0.00 175.10 172.89 1ek1 n LEU 498 N 0.81 -1.67 -4.73 2.54 4.77 -1.26 -5.00 117.00 112.46 1ek1 n LEU 498 Ca -0.14 -0.05 -0.32 0.00 -0.03 0.00 0.00 56.01 55.47 1ek1 n LEU 498 Cb 0.52 -1.07 0.11 0.00 -2.33 0.00 0.00 43.42 40.66 1ek1 n LEU 498 CO 0.32 0.03 0.73 -0.60 -1.33 0.00 0.00 177.39 176.54 1ek1 s ARG 499 N -4.67 1.89 0.26 3.23 3.52 -1.20 -4.79 118.95 117.19 1ek1 s ARG 499 Ca 0.05 1.48 -0.01 0.00 -0.13 0.00 0.00 55.73 57.12 1ek1 s ARG 499 Cb -0.02 -1.83 0.51 0.00 -1.56 0.00 0.00 34.95 32.05 1ek1 s ARG 499 CO 0.07 -1.97 1.77 -1.35 -0.81 0.00 0.00 175.30 173.01 1ek1 h PRO 500 N -0.99 0.64 -0.99 5.12 0.11 -1.85 -2.90 132.00 131.14 1ek1 h PRO 500 Ca -0.45 -0.04 0.36 0.00 0.11 0.00 0.00 66.00 65.99 1ek1 h PRO 500 Cb 1.26 -0.14 -0.17 0.00 0.11 0.00 0.00 31.00 32.06 1ek1 h PRO 500 CO 0.48 0.42 0.49 0.93 -0.21 0.00 0.00 178.00 180.11 1ek1 h GLU 501 N 0.66 0.12 0.00 1.05 3.07 -1.97 -0.27 114.58 117.24 1ek1 h GLU 501 Ca 0.45 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.31 1ek1 h GLU 501 Cb 0.61 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 1ek1 h GLU 501 CO -0.34 0.08 0.00 -1.33 -1.40 0.00 0.00 179.01 176.02 1ek1 n MET 502 N -5.21 0.32 -0.02 2.33 0.00 -1.09 -2.41 117.12 111.03 1ek1 n MET 502 Ca 0.34 0.00 0.03 0.00 0.00 0.00 0.00 57.70 58.06 1ek1 n MET 502 Cb 1.10 -1.46 0.04 0.00 0.00 0.00 0.00 33.22 32.90 1ek1 n MET 502 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1ek1 n SER 503 N -0.96 1.75 0.29 7.83 3.41 -0.11 -4.67 113.62 121.15 1ek1 n SER 503 Ca 0.07 -1.44 0.15 0.00 -0.26 0.00 0.00 58.87 57.39 1ek1 n SER 503 Cb 0.03 -0.03 0.89 0.00 -0.26 0.00 0.00 64.21 64.84 1ek1 n SER 503 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1ek1 h LYS 504 N 1.10 0.00 0.00 4.33 2.10 -1.61 -2.80 116.57 119.68 1ek1 h LYS 504 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 1ek1 h LYS 504 Cb 0.34 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.66 1ek1 h LYS 504 CO 0.00 0.03 -1.14 -0.91 -2.00 0.00 0.00 179.45 175.43 1ek1 h ASN 505 N 0.00 0.00 -0.33 7.07 4.21 -1.84 -3.42 115.58 121.27 1ek1 h ASN 505 Ca -0.00 0.00 0.06 0.00 1.21 0.00 0.00 56.30 57.57 1ek1 h ASN 505 Cb 0.09 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.23 1ek1 h ASN 505 CO 0.00 0.25 -0.10 0.23 -1.29 0.00 0.00 177.43 176.53 1ek1 n MET 506 N -2.79 -0.04 0.00 0.81 2.81 -1.06 0.25 117.12 117.11 1ek1 n MET 506 Ca -0.04 0.51 0.00 0.00 -1.81 0.00 0.00 57.70 56.36 1ek1 n MET 506 Cb 0.67 -0.76 0.00 0.00 -0.71 0.00 0.00 33.22 32.42 1ek1 n MET 506 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1ek1 n GLU 507 N -4.52 0.00 0.13 0.03 0.00 -1.26 0.11 120.64 115.13 1ek1 n GLU 507 Ca 0.05 0.29 -0.00 0.00 0.00 0.00 0.00 57.16 57.49 1ek1 n GLU 507 Cb 0.15 -1.51 0.15 0.00 0.00 0.00 0.00 31.44 30.23 1ek1 n GLU 507 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1ek1 h LYS 508 N 0.00 0.00 0.00 3.44 3.64 -0.55 -3.27 116.57 119.83 1ek1 h LYS 508 Ca 0.00 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.04 1ek1 h LYS 508 Cb 0.01 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.77 1ek1 h LYS 508 CO 0.00 0.62 -2.31 0.91 -2.27 0.00 0.00 179.45 176.41 1ek1 n TRP 509 N -3.61 0.00 -3.90 1.91 7.02 0.29 -4.82 117.44 114.34 1ek1 n TRP 509 Ca -0.00 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.19 1ek1 n TRP 509 Cb 0.66 -0.88 -0.12 0.00 -2.42 0.00 0.00 31.31 28.54 1ek1 n TRP 509 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 1ek1 s ILE 510 N -2.46 2.79 0.55 -0.99 1.01 0.24 -2.53 121.20 119.81 1ek1 s ILE 510 Ca -0.30 -4.10 -0.21 0.00 0.00 0.00 0.00 60.65 56.03 1ek1 s ILE 510 Cb 0.08 -2.85 -0.05 0.00 0.01 0.00 0.00 42.46 39.65 1ek1 s ILE 510 CO 0.53 -0.98 1.30 -2.16 0.00 0.00 0.00 174.94 173.63 1ek1 s PRO 511 N -1.25 3.15 0.00 2.79 0.04 -1.23 -1.49 135.00 137.00 1ek1 s PRO 511 Ca 0.24 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.36 1ek1 s PRO 511 Cb -0.08 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1ek1 s PRO 511 CO -0.14 -1.13 0.00 1.19 0.04 0.00 0.00 177.00 176.96 1ek1 n PHE 512 N -1.12 0.00 -1.59 0.56 3.72 -1.26 -4.94 117.46 112.84 1ek1 n PHE 512 Ca 0.11 0.00 -0.62 0.00 -0.05 0.00 0.00 57.45 56.89 1ek1 n PHE 512 Cb 0.46 -0.21 -0.09 0.00 -0.94 0.00 0.00 39.48 38.71 1ek1 n PHE 512 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1ek1 n LEU 513 N 0.00 0.96 -4.92 4.37 0.00 -0.56 -4.86 117.00 112.00 1ek1 n LEU 513 Ca 0.00 1.10 -0.26 0.00 0.00 0.00 0.00 56.01 56.84 1ek1 n LEU 513 Cb 0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 43.42 42.59 1ek1 n LEU 513 CO 0.00 -0.91 0.28 -0.54 0.00 0.00 0.00 177.39 176.22 1ek1 s LYS 514 N 2.39 3.55 0.10 1.96 -0.14 -0.92 -4.96 119.74 121.72 1ek1 s LYS 514 Ca 0.95 -0.04 0.10 0.00 -1.36 0.00 0.00 55.97 55.62 1ek1 s LYS 514 Cb -1.36 -2.55 -0.04 0.00 -1.68 0.00 0.00 37.83 32.21 1ek1 s LYS 514 CO 0.73 0.03 -0.25 1.03 -0.76 0.00 0.00 175.35 176.13 1ek1 s ARG 515 N -4.29 1.42 -0.01 1.68 3.00 -1.26 -1.68 118.95 117.81 1ek1 s ARG 515 Ca 0.44 -1.22 0.02 0.00 0.00 0.00 0.00 55.73 54.97 1ek1 s ARG 515 Cb -0.10 -1.76 0.00 0.00 0.00 0.00 0.00 34.95 33.09 1ek1 s ARG 515 CO 0.38 0.43 -0.06 0.20 0.00 0.00 0.00 175.30 176.25 1ek1 s GLY 516 N -1.77 0.33 -0.04 -3.53 0.00 0.20 -4.91 107.32 97.60 1ek1 s GLY 516 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 44.72 44.62 1ek1 s GLY 516 CO 0.04 -0.04 0.04 -1.58 0.00 0.00 0.00 173.10 171.56 1ek1 s HIS 517 N 0.13 0.19 -0.23 1.90 5.04 -1.26 0.10 115.29 121.16 1ek1 s HIS 517 Ca -0.01 0.15 -0.05 0.00 -1.54 0.00 0.00 55.06 53.61 1ek1 s HIS 517 Cb -0.06 -0.52 -0.01 0.00 0.04 0.00 0.00 32.58 32.04 1ek1 s HIS 517 CO -0.00 -0.20 -0.01 0.42 -2.34 0.00 0.00 174.74 172.60 1ek1 s ILE 518 N 1.98 3.61 0.66 0.89 1.01 -0.43 -4.97 121.20 123.94 1ek1 s ILE 518 Ca 0.03 -0.46 -0.13 0.00 0.00 0.00 0.00 60.65 60.08 1ek1 s ILE 518 Cb -0.12 -2.68 -0.00 0.00 0.01 0.00 0.00 42.46 39.66 1ek1 s ILE 518 CO -0.03 0.37 1.07 -1.61 0.00 0.00 0.00 174.94 174.73 1ek1 s GLU 519 N 1.50 2.98 -1.61 2.79 0.41 -1.26 -1.39 118.70 122.11 1ek1 s GLU 519 Ca 0.05 1.15 -0.01 0.00 -0.41 0.00 0.00 54.97 55.75 1ek1 s GLU 519 Cb -0.15 -1.99 0.00 0.00 -1.78 0.00 0.00 34.13 30.22 1ek1 s GLU 519 CO -0.01 -1.08 0.09 -0.25 -0.49 0.00 0.00 175.26 173.52 1ek1 n ASP 520 N -2.63 -5.54 -4.91 -0.19 9.92 -1.26 -4.84 116.55 107.09 1ek1 n ASP 520 Ca 0.09 -0.02 -0.28 0.00 -0.53 0.00 0.00 54.79 54.04 1ek1 n ASP 520 Cb 0.53 -4.60 -0.03 0.00 -0.64 0.00 0.00 41.12 36.37 1ek1 n ASP 520 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ek1 n GLY 522 N -0.70 3.20 0.16 0.00 0.00 -1.26 -2.45 105.19 104.13 1ek1 n GLY 522 Ca -0.03 -2.04 0.10 0.00 0.00 0.00 0.00 46.02 44.05 1ek1 n GLY 522 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1ek1 h HIS 523 N 0.01 0.00 -1.24 1.61 2.76 -1.85 -3.39 115.15 113.05 1ek1 h HIS 523 Ca 0.00 0.00 -0.75 0.00 -2.20 0.00 0.00 60.37 57.42 1ek1 h HIS 523 Cb 0.00 0.00 -0.14 0.00 1.55 0.00 0.00 27.41 28.82 1ek1 h HIS 523 CO 0.00 0.10 2.17 0.91 -1.30 0.00 0.00 177.93 179.81 1ek1 n TRP 524 N -2.91 2.91 0.43 5.26 5.03 -1.26 -4.85 117.44 122.05 1ek1 n TRP 524 Ca 0.01 -2.80 -0.19 0.00 3.03 0.00 0.00 57.50 57.54 1ek1 n TRP 524 Cb 0.59 -1.98 -0.09 0.00 -1.03 0.00 0.00 31.31 28.79 1ek1 n TRP 524 CO 0.00 0.00 0.00 1.15 -0.03 0.00 0.00 177.69 178.81 1ek1 h THR 525 N 3.62 0.15 -0.19 -0.99 2.02 -1.96 -0.56 112.91 115.00 1ek1 h THR 525 Ca 0.44 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.65 1ek1 h THR 525 Cb 0.59 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 1ek1 h THR 525 CO 1.64 0.00 0.03 1.56 0.37 0.00 0.00 175.52 179.12 1ek1 h GLN 526 N -1.11 0.10 0.00 6.66 7.50 -1.88 0.22 115.11 126.60 1ek1 h GLN 526 Ca -0.11 -0.01 -0.05 0.00 0.50 0.00 0.00 58.65 58.99 1ek1 h GLN 526 Cb 0.87 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.37 1ek1 h GLN 526 CO 0.15 0.07 -0.22 0.82 -1.50 0.00 0.00 178.83 178.15 1ek1 h ILE 527 N 0.10 0.62 0.02 2.54 5.03 -1.83 -3.03 117.51 120.97 1ek1 h ILE 527 Ca 0.09 -1.01 -0.36 0.00 -0.12 0.00 0.00 64.86 63.46 1ek1 h ILE 527 Cb 0.09 1.66 -0.05 0.00 -3.03 0.00 0.00 36.82 35.49 1ek1 h ILE 527 CO -0.12 0.21 -2.01 1.21 -0.68 0.00 0.00 178.15 176.76 1ek1 n GLU 528 N -3.49 0.62 -3.51 2.37 2.13 -0.22 -4.71 120.64 113.84 1ek1 n GLU 528 Ca -0.01 0.35 -0.27 0.00 0.66 0.00 0.00 57.16 57.90 1ek1 n GLU 528 Cb 0.38 -1.62 -0.10 0.00 0.27 0.00 0.00 31.44 30.38 1ek1 n GLU 528 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1ek1 n LYS 529 N -4.00 1.25 -0.04 5.31 4.76 0.74 -4.98 118.16 121.20 1ek1 n LYS 529 Ca -0.42 -3.88 -0.08 0.00 -2.87 0.00 0.00 58.31 51.06 1ek1 n LYS 529 Cb 0.87 -1.88 -0.07 0.00 -1.84 0.00 0.00 35.03 32.11 1ek1 n LYS 529 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1ek1 h PRO 530 N 4.93 -0.04 -1.23 1.97 0.14 -1.67 -2.73 132.00 133.37 1ek1 h PRO 530 Ca 0.18 0.00 0.40 0.00 0.14 0.00 0.00 66.00 66.72 1ek1 h PRO 530 Cb 0.81 0.01 -0.13 0.00 0.14 0.00 0.00 31.00 31.83 1ek1 h PRO 530 CO 0.59 0.48 0.77 0.00 0.14 0.00 0.00 178.00 179.98 1ek1 h THR 531 N -0.97 0.19 0.15 1.56 1.03 -1.93 0.33 112.91 113.27 1ek1 h THR 531 Ca -0.00 -0.05 -0.01 0.00 -0.01 0.00 0.00 66.41 66.34 1ek1 h THR 531 Cb 0.54 0.03 0.00 0.00 -1.07 0.00 0.00 68.15 67.65 1ek1 h THR 531 CO 0.01 0.03 -0.07 1.05 -0.01 0.00 0.00 175.52 176.52 1ek1 h GLU 532 N 0.15 -0.20 -0.78 0.00 9.09 -1.98 -2.65 114.58 118.21 1ek1 h GLU 532 Ca 0.78 0.01 0.19 0.00 0.05 0.00 0.00 59.36 60.39 1ek1 h GLU 532 Cb 2.31 0.04 -0.15 0.00 -1.65 0.00 0.00 28.75 29.31 1ek1 h GLU 532 CO -0.44 -0.13 -0.07 0.28 0.05 0.00 0.00 179.01 178.69 1ek1 n VAL 533 N -2.98 -0.33 0.00 -1.06 0.31 0.48 -0.29 118.33 114.47 1ek1 n VAL 533 Ca -0.03 1.74 0.00 0.00 -0.01 0.00 0.00 64.34 66.04 1ek1 n VAL 533 Cb 0.08 -2.48 0.00 0.00 -0.91 0.00 0.00 33.84 30.53 1ek1 n VAL 533 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1ek1 n ASN 534 N -5.16 0.00 -0.03 4.52 3.02 0.87 -0.80 115.26 117.67 1ek1 n ASN 534 Ca 0.16 0.85 -0.01 0.00 -0.03 0.00 0.00 54.58 55.55 1ek1 n ASN 534 Cb 0.51 -0.35 -0.01 0.00 -0.61 0.00 0.00 39.78 39.33 1ek1 n ASN 534 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ek1 n GLN 535 N -1.77 -0.04 -0.09 3.52 6.02 0.60 -0.12 117.38 125.51 1ek1 n GLN 535 Ca 0.00 0.46 -0.11 0.00 -0.01 0.00 0.00 57.00 57.34 1ek1 n GLN 535 Cb 0.00 -0.69 -0.06 0.00 1.02 0.00 0.00 30.24 30.51 1ek1 n GLN 535 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1ek1 h ILE 536 N 0.00 0.11 -0.58 5.09 2.04 -1.37 0.36 117.51 123.16 1ek1 h ILE 536 Ca 0.01 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.98 1ek1 h ILE 536 Cb 0.03 0.11 -0.09 0.00 -0.74 0.00 0.00 36.82 36.14 1ek1 h ILE 536 CO -0.08 0.00 0.10 -0.07 0.00 0.00 0.00 178.15 178.10 1ek1 h LEU 537 N -0.38 -0.05 0.58 1.44 3.38 0.16 0.33 115.31 120.77 1ek1 h LEU 537 Ca 0.11 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1ek1 h LEU 537 Cb 0.60 0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.52 1ek1 h LEU 537 CO -0.53 -0.01 -0.28 0.40 0.09 0.00 0.00 178.44 178.11 1ek1 h ILE 538 N 0.23 0.00 -1.46 1.22 2.04 -0.13 -2.09 117.51 117.32 1ek1 h ILE 538 Ca 0.30 -0.24 0.45 0.00 1.00 0.00 0.00 64.86 66.37 1ek1 h ILE 538 Cb 0.45 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.44 1ek1 h ILE 538 CO -0.41 0.00 1.00 0.11 0.00 0.00 0.00 178.15 178.85 1ek1 h LYS 539 N -1.02 0.07 0.53 2.37 6.56 0.04 0.71 116.57 125.83 1ek1 h LYS 539 Ca -0.08 -0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.48 1ek1 h LYS 539 Cb 0.60 -0.02 0.01 0.00 -0.57 0.00 0.00 32.23 32.25 1ek1 h LYS 539 CO 0.13 0.05 -0.26 2.35 -2.06 0.00 0.00 179.45 179.66 1ek1 h TRP 540 N 0.07 -0.67 -0.97 -1.35 7.01 -0.23 -0.80 115.95 119.02 1ek1 h TRP 540 Ca 0.79 -0.02 0.12 0.00 2.11 0.00 0.00 58.89 61.89 1ek1 h TRP 540 Cb 2.78 0.22 -0.08 0.00 -2.10 0.00 0.00 29.16 29.97 1ek1 h TRP 540 CO -0.00 -0.41 0.60 -0.07 -2.79 0.00 0.00 178.44 175.76 1ek1 h LEU 541 N -1.12 0.87 0.00 0.65 3.38 0.49 0.52 115.31 120.10 1ek1 h LEU 541 Ca -0.07 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ek1 h LEU 541 Cb 0.55 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1ek1 h LEU 541 CO 0.12 0.46 0.00 0.00 0.09 0.00 0.00 178.44 179.11 1ek1 n GLN 542 N -4.65 0.00 0.00 1.13 1.13 0.20 -4.12 117.38 111.07 1ek1 n GLN 542 Ca 0.18 0.27 0.00 0.00 -1.94 0.00 0.00 57.00 55.51 1ek1 n GLN 542 Cb 0.34 -1.26 0.00 0.00 0.11 0.00 0.00 30.24 29.43 1ek1 n GLN 542 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1ek1 n THR 543 N -1.29 0.00 1.00 5.09 -2.24 -0.31 -5.07 114.28 111.46 1ek1 n THR 543 Ca 0.00 0.90 0.12 0.00 -2.27 0.00 0.00 64.05 62.80 1ek1 n THR 543 Cb 0.00 -1.44 0.10 0.00 -2.10 0.00 0.00 70.33 66.89 1ek1 n THR 543 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88