#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wcx s MET 2 N 0.00 4.15 0.35 4.33 1.00 -1.26 -2.21 119.30 125.66 2wcx s MET 2 Ca 0.00 2.53 0.04 0.00 0.00 0.00 0.00 55.69 58.26 2wcx s MET 2 Cb 0.00 -3.40 0.67 0.00 0.00 0.00 0.00 34.83 32.11 2wcx s MET 2 CO 0.00 -0.77 1.97 0.66 0.00 0.00 0.00 175.02 176.88 2wcx h SER 3 N 7.84 0.72 -4.99 3.03 4.64 -1.42 -3.39 113.55 119.98 2wcx h SER 3 Ca -0.44 -0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 60.70 2wcx h SER 3 Cb 1.21 -0.16 -0.19 0.00 -0.31 0.00 0.00 62.40 62.95 2wcx h SER 3 CO 0.94 0.49 -0.70 -0.31 -0.87 0.00 0.00 176.83 176.38 2wcx s TYR 4 N -5.73 0.45 0.02 4.77 1.51 -1.26 -0.66 117.35 116.45 2wcx s TYR 4 Ca -0.10 -0.71 0.07 0.00 -1.01 0.00 0.00 57.07 55.32 2wcx s TYR 4 Cb 0.19 -0.31 -0.02 0.00 -0.11 0.00 0.00 41.96 41.71 2wcx s TYR 4 CO 0.77 -0.22 -0.22 0.99 -1.11 0.00 0.00 175.55 175.76 2wcx s THR 5 N -2.33 1.79 0.01 -0.71 2.01 0.01 -4.82 115.64 111.60 2wcx s THR 5 Ca -0.06 -1.12 0.08 0.00 0.31 0.00 0.00 61.69 60.89 2wcx s THR 5 Cb -0.04 -1.52 -0.02 0.00 0.01 0.00 0.00 72.50 70.93 2wcx s THR 5 CO -0.04 0.36 -0.24 0.26 -0.69 0.00 0.00 174.62 174.28 2wcx s TRP 6 N -0.68 2.09 -0.18 4.92 0.52 -1.26 -1.21 118.94 123.15 2wcx s TRP 6 Ca 0.09 -0.39 0.17 0.00 0.02 0.00 0.00 56.10 55.99 2wcx s TRP 6 Cb -0.09 -1.30 -0.00 0.00 -1.15 0.00 0.00 33.47 30.93 2wcx s TRP 6 CO 0.01 0.04 1.16 1.79 0.02 0.00 0.00 176.95 179.96 2wcx h THR 7 N 4.42 0.54 0.00 2.01 1.35 -1.26 -3.47 112.91 116.50 2wcx h THR 7 Ca -0.43 -1.87 0.00 0.00 -0.55 0.00 0.00 66.41 63.56 2wcx h THR 7 Cb 1.14 2.11 0.00 0.00 -1.73 0.00 0.00 68.15 69.67 2wcx h THR 7 CO 0.46 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.64 2wcx n GLY 8 N 1.28 2.69 3.73 5.82 0.00 -1.26 -5.07 105.19 112.38 2wcx n GLY 8 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 2wcx n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wcx s ALA 9 N -2.51 2.30 0.32 4.61 0.00 -1.26 -4.95 121.76 120.27 2wcx s ALA 9 Ca 0.00 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.97 2wcx s ALA 9 Cb 0.00 -3.53 -0.07 0.00 0.00 0.00 0.00 23.12 19.52 2wcx s ALA 9 CO 0.00 -1.67 0.68 -0.51 0.00 0.00 0.00 175.76 174.26 2wcx s LEU 10 N -4.58 4.01 -0.21 0.00 1.43 -1.26 -4.84 118.68 113.22 2wcx s LEU 10 Ca 0.80 1.07 -0.28 0.00 -1.03 0.00 0.00 54.13 54.69 2wcx s LEU 10 Cb -0.35 -3.89 0.00 0.00 0.03 0.00 0.00 46.19 41.98 2wcx s LEU 10 CO 0.41 -0.24 1.00 -0.63 0.23 0.00 0.00 176.35 177.12 2wcx s ILE 11 N -2.09 4.72 0.09 -0.59 1.01 -1.26 -4.80 121.20 118.28 2wcx s ILE 11 Ca 0.50 1.96 0.06 0.00 0.00 0.00 0.00 60.65 63.18 2wcx s ILE 11 Cb -0.11 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 2wcx s ILE 11 CO 0.25 -0.13 -0.09 0.42 0.00 0.00 0.00 174.94 175.39 2wcx s THR 12 N 2.93 3.45 0.73 2.92 -4.23 -1.26 -4.88 115.64 115.31 2wcx s THR 12 Ca 0.43 -1.18 -0.11 0.00 -1.18 0.00 0.00 61.69 59.65 2wcx s THR 12 Cb -0.16 -2.60 0.03 0.00 1.34 0.00 0.00 72.50 71.11 2wcx s THR 12 CO 0.08 0.15 1.10 -2.16 -0.54 0.00 0.00 174.62 173.25 2wcx s PRO 13 N -2.11 2.63 0.00 3.99 0.04 -1.26 -4.34 135.00 133.95 2wcx s PRO 13 Ca 0.21 0.51 0.08 0.00 0.04 0.00 0.00 61.00 61.84 2wcx s PRO 13 Cb -0.11 -1.99 0.18 0.00 0.04 0.00 0.00 34.50 32.62 2wcx s PRO 13 CO 0.13 -1.21 1.07 0.00 0.04 0.00 0.00 177.00 177.04 2wcx s ALA 15 N -0.91 -1.04 0.26 0.00 0.00 -1.26 -5.11 121.76 113.69 2wcx s ALA 15 Ca 0.15 -0.43 -0.31 0.00 0.00 0.00 0.00 51.96 51.38 2wcx s ALA 15 Cb 0.08 0.87 -0.13 0.00 0.00 0.00 0.00 23.12 23.95 2wcx s ALA 15 CO 0.11 -1.01 1.37 0.00 0.00 0.00 0.00 175.76 176.23 2wcx n ALA 16 N -0.45 1.05 -2.53 0.00 0.00 -1.26 -4.98 120.51 112.34 2wcx n ALA 16 Ca -0.04 0.40 -0.25 0.00 0.00 0.00 0.00 53.44 53.55 2wcx n ALA 16 Cb 0.59 -2.26 -0.09 0.00 0.00 0.00 0.00 19.45 17.70 2wcx n ALA 16 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2wcx s GLU 17 N -0.69 2.05 -0.04 0.00 2.02 -1.26 -5.14 118.70 115.63 2wcx s GLU 17 Ca 0.66 -1.84 0.02 0.00 0.02 0.00 0.00 54.97 53.83 2wcx s GLU 17 Cb -0.64 -1.87 0.01 0.00 0.10 0.00 0.00 34.13 31.74 2wcx s GLU 17 CO 0.52 0.07 -0.08 -1.83 0.02 0.00 0.00 175.26 173.96 2wcx s GLU 18 N -3.73 1.10 0.00 1.61 4.04 -1.26 -5.03 118.70 115.42 2wcx s GLU 18 Ca 0.35 -0.24 0.17 0.00 0.04 0.00 0.00 54.97 55.29 2wcx s GLU 18 Cb 0.02 -1.00 0.01 0.00 0.02 0.00 0.00 34.13 33.18 2wcx s GLU 18 CO 0.19 0.00 0.88 0.45 -1.84 0.00 0.00 175.26 174.95 2wcx n SER 19 N 3.76 1.72 -3.67 0.83 2.88 -1.26 -4.34 113.62 113.53 2wcx n SER 19 Ca -0.23 -1.36 -0.07 0.00 -1.33 0.00 0.00 58.87 55.89 2wcx n SER 19 Cb 0.52 0.43 -0.02 0.00 -0.75 0.00 0.00 64.21 64.39 2wcx n SER 19 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2wcx s LYS 20 N -1.88 1.26 0.15 -1.46 3.01 -1.26 -2.45 119.74 117.11 2wcx s LYS 20 Ca 0.14 -0.63 -0.14 0.00 -1.01 0.00 0.00 55.97 54.33 2wcx s LYS 20 Cb 0.13 0.48 0.03 0.00 -1.01 0.00 0.00 37.83 37.46 2wcx s LYS 20 CO 0.40 -0.57 1.69 1.37 0.51 0.00 0.00 175.35 178.74 2wcx h LEU 21 N 2.00 0.70 0.00 3.17 -0.00 -1.99 -3.49 115.31 115.71 2wcx h LEU 21 Ca -0.24 -0.19 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 2wcx h LEU 21 Cb 1.25 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.73 2wcx h LEU 21 CO 0.28 0.71 0.00 0.23 -0.00 0.00 0.00 178.44 179.66 2wcx n MET 36 N -4.53 0.00 -3.48 0.17 2.81 -1.26 -5.19 117.12 105.64 2wcx n MET 36 Ca 0.01 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.54 2wcx n MET 36 Cb 0.18 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 32.62 2wcx n MET 36 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2wcx s VAL 37 N 0.00 5.28 0.17 2.03 -7.23 -1.26 0.16 120.40 119.55 2wcx s VAL 37 Ca 0.00 0.64 0.04 0.00 -1.81 0.00 0.00 61.98 60.85 2wcx s VAL 37 Cb 0.00 -3.67 -0.05 0.00 0.56 0.00 0.00 36.38 33.22 2wcx s VAL 37 CO 0.00 0.37 -0.07 -0.72 -0.31 0.00 0.00 175.10 174.37 2wcx s TYR 38 N 0.56 1.34 -0.05 2.82 -0.85 -0.56 -4.72 117.35 115.90 2wcx s TYR 38 Ca 0.18 -0.82 0.06 0.00 -0.52 0.00 0.00 57.07 55.98 2wcx s TYR 38 Cb -0.13 -0.72 -0.02 0.00 0.38 0.00 0.00 41.96 41.47 2wcx s TYR 38 CO 0.05 0.03 -0.23 0.00 -1.52 0.00 0.00 175.55 173.89 2wcx s ALA 39 N -3.37 2.27 0.51 9.51 0.00 -1.03 -0.59 121.76 129.07 2wcx s ALA 39 Ca 0.20 -1.05 -0.21 0.00 0.00 0.00 0.00 51.96 50.90 2wcx s ALA 39 Cb 0.04 -0.72 -0.06 0.00 0.00 0.00 0.00 23.12 22.37 2wcx s ALA 39 CO 0.03 0.46 1.20 0.95 0.00 0.00 0.00 175.76 178.40 2wcx s THR 40 N -0.35 2.86 0.27 0.00 -4.23 0.05 -4.38 115.64 109.86 2wcx s THR 40 Ca 0.02 0.60 0.01 0.00 -1.18 0.00 0.00 61.69 61.14 2wcx s THR 40 Cb -0.12 -3.28 -0.03 0.00 1.34 0.00 0.00 72.50 70.40 2wcx s THR 40 CO 0.02 -0.05 0.26 0.42 -0.54 0.00 0.00 174.62 174.73 2wcx s THR 41 N -1.55 0.00 0.16 3.99 -4.23 -1.26 -4.05 115.64 108.70 2wcx s THR 41 Ca 0.69 -1.90 0.33 0.00 -1.18 0.00 0.00 61.69 59.62 2wcx s THR 41 Cb -0.30 -2.50 0.33 0.00 1.34 0.00 0.00 72.50 71.38 2wcx s THR 41 CO 0.35 0.00 2.00 0.77 -0.54 0.00 0.00 174.62 177.20 2wcx h SER 42 N 2.35 0.00 0.05 3.99 4.64 -1.88 -1.78 113.55 120.92 2wcx h SER 42 Ca -0.30 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2wcx h SER 42 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2wcx h SER 42 CO 0.44 0.00 -0.01 0.03 -0.87 0.00 0.00 176.83 176.41 2wcx h ARG 43 N 0.00 0.00 -0.03 4.77 3.08 -1.95 -0.88 114.38 119.37 2wcx h ARG 43 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wcx h ARG 43 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2wcx h ARG 43 CO 0.00 0.01 -0.12 -1.13 -1.07 0.00 0.00 179.97 177.66 2wcx n SER 44 N -3.66 2.64 -0.34 7.04 3.41 -0.67 -4.58 113.62 117.46 2wcx n SER 44 Ca -0.03 -1.83 0.19 0.00 -0.26 0.00 0.00 58.87 56.94 2wcx n SER 44 Cb 0.10 0.12 0.42 0.00 -0.26 0.00 0.00 64.21 64.58 2wcx n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wcx h ALA 45 N 4.47 1.88 -0.99 7.33 0.00 -1.28 -0.37 119.26 130.30 2wcx h ALA 45 Ca 0.00 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.09 2wcx h ALA 45 Cb 0.90 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 2wcx h ALA 45 CO 0.00 -0.37 0.64 0.78 0.00 0.00 0.00 179.25 180.30 2wcx h GLY 46 N 0.51 1.47 1.23 0.00 0.00 -1.81 0.94 103.07 105.42 2wcx h GLY 46 Ca 0.66 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 47.43 2wcx h GLY 46 CO -0.48 0.38 0.01 1.41 0.00 0.00 0.00 176.54 177.86 2wcx h LEU 47 N 1.21 0.90 -0.39 3.11 3.38 -1.40 -1.47 115.31 120.65 2wcx h LEU 47 Ca 0.41 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 2wcx h LEU 47 Cb 0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2wcx h LEU 47 CO -0.15 0.95 -0.03 -0.09 0.09 0.00 0.00 178.44 179.21 2wcx h ARG 48 N 0.86 0.71 -0.49 1.13 9.65 -1.29 -2.57 114.38 122.38 2wcx h ARG 48 Ca 0.16 -0.24 0.08 0.00 -1.10 0.00 0.00 59.98 58.88 2wcx h ARG 48 Cb 0.49 -0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 28.95 2wcx h ARG 48 CO 0.02 0.82 0.14 1.96 2.80 0.00 0.00 179.97 185.71 2wcx h GLN 49 N 0.53 0.28 -0.38 0.20 4.20 -0.61 0.15 115.11 119.48 2wcx h GLN 49 Ca 0.11 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.82 2wcx h GLN 49 Cb 0.52 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 2wcx h GLN 49 CO 0.03 0.18 0.21 -0.22 -0.67 0.00 0.00 178.83 178.36 2wcx h LYS 50 N 0.29 0.41 -0.66 1.46 3.11 -1.13 -2.63 116.57 117.41 2wcx h LYS 50 Ca 0.24 -0.02 -0.08 0.00 -2.81 0.00 0.00 60.65 57.98 2wcx h LYS 50 Cb 0.29 -0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 31.41 2wcx h LYS 50 CO -0.28 0.27 0.11 -0.22 -2.81 0.00 0.00 179.45 176.52 2wcx h LYS 51 N 0.42 1.09 -0.01 1.90 3.64 -0.80 -3.04 116.57 119.77 2wcx h LYS 51 Ca 0.16 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2wcx h LYS 51 Cb 0.04 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2wcx h LYS 51 CO -0.09 0.99 0.00 1.33 -2.27 0.00 0.00 179.45 179.41 2wcx n VAL 52 N -4.21 0.01 -3.61 2.00 0.24 -0.09 -4.73 118.33 107.93 2wcx n VAL 52 Ca 0.04 -0.06 -0.40 0.00 -2.04 0.00 0.00 64.34 61.88 2wcx n VAL 52 Cb 0.29 -0.26 -0.11 0.00 -1.47 0.00 0.00 33.84 32.29 2wcx n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2wcx s THR 53 N -1.99 4.51 0.18 3.34 2.01 -1.01 -4.64 115.64 118.04 2wcx s THR 53 Ca 0.43 -0.86 -0.24 0.00 0.31 0.00 0.00 61.69 61.33 2wcx s THR 53 Cb 0.20 -3.51 0.05 0.00 0.01 0.00 0.00 72.50 69.26 2wcx s THR 53 CO 0.34 -0.21 0.81 0.72 -0.69 0.00 0.00 174.62 175.58 2wcx s PHE 54 N 1.54 -0.25 0.07 4.92 -0.12 -1.26 -4.97 117.98 117.91 2wcx s PHE 54 Ca 0.02 -0.07 -0.25 0.00 -0.05 0.00 0.00 56.93 56.57 2wcx s PHE 54 Cb -0.19 0.64 -0.06 0.00 -0.63 0.00 0.00 43.02 42.78 2wcx s PHE 54 CO 0.06 -0.94 0.77 0.34 -0.05 0.00 0.00 175.22 175.41 2wcx s ASP 55 N -2.84 7.25 -0.15 1.98 3.68 -1.26 -1.10 116.67 124.23 2wcx s ASP 55 Ca 0.09 1.50 -0.14 0.00 2.13 0.00 0.00 52.55 56.13 2wcx s ASP 55 Cb -0.03 -2.48 -0.05 0.00 -1.45 0.00 0.00 42.92 38.92 2wcx s ASP 55 CO -0.00 0.05 0.30 -0.13 0.13 0.00 0.00 175.17 175.52 2wcx s ARG 56 N -0.25 4.22 -0.17 4.34 3.00 -0.94 -4.94 118.95 124.22 2wcx s ARG 56 Ca 0.38 0.12 -0.02 0.00 0.00 0.00 0.00 55.73 56.21 2wcx s ARG 56 Cb -0.21 -3.41 -0.02 0.00 0.00 0.00 0.00 34.95 31.31 2wcx s ARG 56 CO 0.24 0.27 -0.07 -0.48 0.00 0.00 0.00 175.30 175.26 2wcx s LEU 57 N 0.36 2.95 -0.05 2.53 -0.00 -1.26 -3.96 118.68 119.25 2wcx s LEU 57 Ca 0.17 -0.28 0.01 0.00 -0.00 0.00 0.00 54.13 54.04 2wcx s LEU 57 Cb -0.13 -1.71 0.02 0.00 -0.00 0.00 0.00 46.19 44.37 2wcx s LEU 57 CO 0.05 0.11 -0.07 -1.58 -0.00 0.00 0.00 176.35 174.86 2wcx s GLN 58 N 0.70 1.05 -0.17 1.48 0.74 -1.26 -4.04 119.66 118.17 2wcx s GLN 58 Ca -0.04 -0.19 -0.01 0.00 0.05 0.00 0.00 55.36 55.17 2wcx s GLN 58 Cb -0.15 -0.98 0.05 0.00 1.10 0.00 0.00 33.01 33.03 2wcx s GLN 58 CO 0.02 -0.04 -0.01 0.08 -0.55 0.00 0.00 175.29 174.79 2wcx s VAL 59 N 0.81 0.80 0.33 1.34 1.01 -0.17 -5.03 120.40 119.49 2wcx s VAL 59 Ca -0.12 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 2wcx s VAL 59 Cb -0.15 -1.11 -0.06 0.00 0.00 0.00 0.00 36.38 35.06 2wcx s VAL 59 CO 0.01 -0.00 0.66 -0.76 0.00 0.00 0.00 175.10 175.01 2wcx s LEU 60 N 1.76 3.99 0.00 3.92 1.43 -1.26 -4.39 118.68 124.12 2wcx s LEU 60 Ca 0.00 0.97 0.06 0.00 -1.03 0.00 0.00 54.13 54.13 2wcx s LEU 60 Cb -0.16 -3.80 -0.02 0.00 0.03 0.00 0.00 46.19 42.24 2wcx s LEU 60 CO -0.07 -0.26 0.21 -0.90 0.23 0.00 0.00 176.35 175.56 2wcx n ASP 61 N -0.90 -0.37 0.18 2.29 5.68 -1.26 -5.04 116.55 117.14 2wcx n ASP 61 Ca 0.01 -2.73 0.06 0.00 -0.50 0.00 0.00 54.79 51.62 2wcx n ASP 61 Cb 0.54 1.27 0.52 0.00 -1.14 0.00 0.00 41.12 42.31 2wcx n ASP 61 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2wcx h ASP 62 N 1.58 0.12 -0.64 -1.12 3.32 -1.99 -1.67 116.42 116.03 2wcx h ASP 62 Ca -0.19 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.85 2wcx h ASP 62 Cb 0.95 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.44 2wcx h ASP 62 CO 0.28 0.17 0.42 0.45 -1.72 0.00 0.00 179.24 178.85 2wcx h HIS 63 N 0.14 0.81 0.05 4.55 3.86 -1.97 0.29 115.15 122.89 2wcx h HIS 63 Ca 0.03 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2wcx h HIS 63 Cb 0.13 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.33 2wcx h HIS 63 CO 0.00 0.52 -0.02 -0.92 0.86 0.00 0.00 177.93 178.37 2wcx h TYR 64 N 0.87 -0.06 -0.95 2.45 3.20 -1.65 -1.47 116.97 119.36 2wcx h TYR 64 Ca 0.23 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.11 2wcx h TYR 64 Cb -0.09 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.15 2wcx h TYR 64 CO -0.03 0.06 0.62 0.00 -1.64 0.00 0.00 178.16 177.17 2wcx h ARG 65 N -0.17 1.26 -0.18 1.82 3.08 -0.97 -1.68 114.38 117.54 2wcx h ARG 65 Ca -0.01 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 2wcx h ARG 65 Cb 0.15 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2wcx h ARG 65 CO 0.01 0.84 0.02 -0.44 -1.07 0.00 0.00 179.97 179.33 2wcx h ASP 66 N 1.29 0.29 -0.74 7.04 3.32 -0.23 -1.00 116.42 126.39 2wcx h ASP 66 Ca 0.35 -0.28 0.03 0.00 0.02 0.00 0.00 57.03 57.16 2wcx h ASP 66 Cb -0.13 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.30 2wcx h ASP 66 CO -0.07 0.49 0.46 0.58 -1.72 0.00 0.00 179.24 178.98 2wcx h VAL 67 N 0.07 1.09 -0.31 -1.35 2.07 -1.11 -2.36 116.25 114.35 2wcx h VAL 67 Ca 0.05 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.29 2wcx h VAL 67 Cb 0.33 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 2wcx h VAL 67 CO 0.01 0.16 0.13 0.25 0.02 0.00 0.00 177.57 178.14 2wcx h LEU 68 N 0.90 0.18 -0.63 2.57 5.85 -1.13 -0.04 115.31 123.00 2wcx h LEU 68 Ca 0.30 0.02 0.10 0.00 0.84 0.00 0.00 57.88 59.14 2wcx h LEU 68 Cb 0.04 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 2wcx h LEU 68 CO -0.12 0.14 0.25 0.11 -0.34 0.00 0.00 178.44 178.48 2wcx h LYS 69 N 0.29 0.42 -0.41 1.25 1.57 -0.89 0.37 116.57 119.16 2wcx h LYS 69 Ca 0.14 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 2wcx h LYS 69 Cb 0.08 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 2wcx h LYS 69 CO -0.12 0.28 -0.13 0.93 -0.57 0.00 0.00 179.45 179.84 2wcx h GLU 70 N 0.43 0.75 -0.59 3.15 5.08 -0.91 -1.52 114.58 120.97 2wcx h GLU 70 Ca 0.32 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 2wcx h GLU 70 Cb 0.40 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2wcx h GLU 70 CO -0.31 0.85 0.10 0.52 -1.00 0.00 0.00 179.01 179.16 2wcx h MET 71 N 0.68 0.99 -0.61 2.33 2.86 -0.02 -2.82 114.93 118.33 2wcx h MET 71 Ca 0.11 -0.27 -0.09 0.00 -2.06 0.00 0.00 59.70 57.40 2wcx h MET 71 Cb 0.61 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 2wcx h MET 71 CO 0.04 0.93 0.04 0.87 1.06 0.00 0.00 176.91 179.85 2wcx h LYS 72 N 0.89 1.04 -1.00 1.72 1.57 -0.72 -0.66 116.57 119.41 2wcx h LYS 72 Ca 0.18 -0.30 0.05 0.00 -1.87 0.00 0.00 60.65 58.71 2wcx h LYS 72 Cb 0.42 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.56 2wcx h LYS 72 CO 0.01 0.99 0.65 0.00 -0.57 0.00 0.00 179.45 180.53 2wcx h ALA 73 N 1.07 1.37 -0.29 3.86 0.00 -1.16 0.10 119.26 124.22 2wcx h ALA 73 Ca 0.18 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 2wcx h ALA 73 Cb 0.50 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2wcx h ALA 73 CO 0.02 0.52 -0.41 0.87 0.00 0.00 0.00 179.25 180.25 2wcx h LYS 74 N 1.23 0.79 0.00 0.00 1.57 -1.21 -2.98 116.57 115.98 2wcx h LYS 74 Ca 0.41 -0.46 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2wcx h LYS 74 Cb 0.06 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 2wcx h LYS 74 CO -0.14 1.09 -0.15 0.00 -0.57 0.00 0.00 179.45 179.68 2wcx h ALA 75 N 0.69 1.36 0.00 3.86 0.00 -0.28 -0.29 119.26 124.60 2wcx h ALA 75 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2wcx h ALA 75 Cb 1.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2wcx h ALA 75 CO 0.09 0.19 0.00 -1.13 0.00 0.00 0.00 179.25 178.40 2wcx n SER 76 N -3.79 0.14 -0.64 0.00 3.41 0.28 -1.34 113.62 111.68 2wcx n SER 76 Ca -0.02 0.53 0.10 0.00 -0.26 0.00 0.00 58.87 59.22 2wcx n SER 76 Cb 0.26 -0.56 0.34 0.00 -0.26 0.00 0.00 64.21 63.98 2wcx n SER 76 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2wcx n THR 77 N -1.65 0.26 -3.88 6.66 -2.24 -0.12 -4.69 114.28 108.63 2wcx n THR 77 Ca 0.04 -0.41 -0.35 0.00 -2.27 0.00 0.00 64.05 61.06 2wcx n THR 77 Cb 0.24 0.45 -0.08 0.00 -2.10 0.00 0.00 70.33 68.84 2wcx n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2wcx s VAL 78 N -1.74 5.18 -0.11 2.28 1.01 -0.45 -5.01 120.40 121.57 2wcx s VAL 78 Ca 0.33 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.39 2wcx s VAL 78 Cb 0.18 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 2wcx s VAL 78 CO 0.26 0.50 -0.04 -0.75 0.00 0.00 0.00 175.10 175.07 2wcx s LYS 79 N -0.02 3.23 0.04 2.72 2.20 -1.26 -1.08 119.74 125.58 2wcx s LYS 79 Ca 0.08 -0.51 0.03 0.00 -0.36 0.00 0.00 55.97 55.22 2wcx s LYS 79 Cb -0.12 -2.78 -0.02 0.00 -1.51 0.00 0.00 37.83 33.40 2wcx s LYS 79 CO 0.00 0.47 -0.09 0.00 -0.36 0.00 0.00 175.35 175.37 2wcx s ALA 80 N -0.27 0.73 0.31 3.13 0.00 -0.72 -4.95 121.76 119.99 2wcx s ALA 80 Ca 0.05 -0.77 0.08 0.00 0.00 0.00 0.00 51.96 51.32 2wcx s ALA 80 Cb -0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 2wcx s ALA 80 CO 0.02 0.05 0.22 -1.59 0.00 0.00 0.00 175.76 174.46 2wcx s LYS 81 N -1.43 2.66 0.34 0.00 -2.85 -1.26 -4.31 119.74 112.89 2wcx s LYS 81 Ca -0.06 -1.30 -0.25 0.00 -1.00 0.00 0.00 55.97 53.35 2wcx s LYS 81 Cb -0.09 -2.41 -0.10 0.00 -2.06 0.00 0.00 37.83 33.17 2wcx s LYS 81 CO 0.01 0.18 0.98 -0.51 0.10 0.00 0.00 175.35 176.11 2wcx s LEU 82 N -3.91 4.28 0.24 2.77 1.43 -1.26 -4.47 118.68 117.76 2wcx s LEU 82 Ca 0.38 1.90 -0.24 0.00 -1.03 0.00 0.00 54.13 55.13 2wcx s LEU 82 Cb -0.06 -4.06 -0.09 0.00 0.03 0.00 0.00 46.19 42.01 2wcx s LEU 82 CO 0.25 -0.18 0.82 -0.76 0.23 0.00 0.00 176.35 176.71 2wcx s LEU 83 N -2.22 4.45 0.90 1.79 1.02 -0.43 -5.04 118.68 119.15 2wcx s LEU 83 Ca 0.52 1.66 -0.11 0.00 0.02 0.00 0.00 54.13 56.22 2wcx s LEU 83 Cb -0.20 -3.63 0.13 0.00 0.02 0.00 0.00 46.19 42.52 2wcx s LEU 83 CO 0.25 0.07 1.09 -0.94 0.02 0.00 0.00 176.35 176.84 2wcx s SER 84 N -1.45 3.37 0.23 2.29 1.04 -1.26 -4.66 113.70 113.26 2wcx s SER 84 Ca 0.43 1.56 -0.07 0.00 0.48 0.00 0.00 55.95 58.34 2wcx s SER 84 Cb -0.20 -2.23 0.34 0.00 0.10 0.00 0.00 66.02 64.04 2wcx s SER 84 CO 0.24 -2.71 1.77 0.58 0.98 0.00 0.00 173.24 174.10 2wcx h VAL 85 N -1.60 0.81 -0.43 5.02 2.07 -1.97 -1.26 116.25 118.90 2wcx h VAL 85 Ca -0.49 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 2wcx h VAL 85 Cb 1.28 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2wcx h VAL 85 CO 0.53 0.10 0.15 -0.33 0.02 0.00 0.00 177.57 178.05 2wcx h GLU 86 N 0.56 0.65 -0.64 1.57 3.07 -1.99 0.09 114.58 117.89 2wcx h GLU 86 Ca 0.35 -0.13 0.02 0.00 -0.50 0.00 0.00 59.36 59.11 2wcx h GLU 86 Cb 0.40 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.17 2wcx h GLU 86 CO -0.29 0.62 0.40 0.93 -1.40 0.00 0.00 179.01 179.27 2wcx h GLU 87 N 0.55 0.76 -0.31 2.33 5.08 -1.83 -1.75 114.58 119.41 2wcx h GLU 87 Ca 0.14 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 2wcx h GLU 87 Cb 0.23 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2wcx h GLU 87 CO -0.01 0.50 -0.19 0.00 -1.00 0.00 0.00 179.01 178.31 2wcx h ALA 88 N 1.27 1.09 -0.36 3.43 0.00 -0.81 -2.23 119.26 121.65 2wcx h ALA 88 Ca 0.25 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wcx h ALA 88 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2wcx h ALA 88 CO -0.10 0.56 0.22 0.00 0.00 0.00 0.00 179.25 179.94 2wcx h LYS 90 N 0.47 0.00 -0.19 0.00 1.57 -0.88 -1.51 116.57 116.03 2wcx h LYS 90 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2wcx h LYS 90 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2wcx h LYS 90 CO -0.03 0.29 0.00 1.28 -0.57 0.00 0.00 179.45 180.43 2wcx n LEU 91 N -3.54 2.25 -4.72 2.94 4.77 -0.88 -4.88 117.00 112.94 2wcx n LEU 91 Ca -0.00 -0.91 -0.42 0.00 -0.03 0.00 0.00 56.01 54.65 2wcx n LEU 91 Cb 0.44 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 2wcx n LEU 91 CO 0.35 0.46 0.77 -0.89 -1.33 0.00 0.00 177.39 176.74 2wcx s THR 92 N -1.76 4.36 0.37 -5.08 2.01 -0.57 -4.99 115.64 109.97 2wcx s THR 92 Ca 0.34 1.78 -0.28 0.00 0.31 0.00 0.00 61.69 63.84 2wcx s THR 92 Cb 0.20 -4.14 -0.11 0.00 0.01 0.00 0.00 72.50 68.45 2wcx s THR 92 CO 0.29 0.19 1.49 -2.65 -0.69 0.00 0.00 174.62 173.25 2wcx n PRO 93 N 3.47 2.65 0.17 4.92 -0.02 -1.26 -4.89 135.00 140.03 2wcx n PRO 93 Ca 0.06 0.93 0.10 0.00 -2.02 0.00 0.00 63.50 62.56 2wcx n PRO 93 Cb 0.48 -2.66 0.61 0.00 -0.02 0.00 0.00 33.50 31.92 2wcx n PRO 93 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2wcx h PRO 94 N 3.13 0.10 -0.44 0.52 0.13 -1.94 -3.10 132.00 130.40 2wcx h PRO 94 Ca -0.50 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.50 2wcx h PRO 94 Cb 1.24 -0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 2wcx h PRO 94 CO 0.66 0.06 0.07 0.72 -0.23 0.00 0.00 178.00 179.28 2wcx n HIS 95 N -4.50 1.46 -2.06 1.56 8.25 -1.26 -4.57 115.22 114.10 2wcx n HIS 95 Ca 0.00 -1.20 -0.33 0.00 -0.26 0.00 0.00 57.72 55.94 2wcx n HIS 95 Cb 0.18 -0.48 0.01 0.00 1.12 0.00 0.00 29.99 30.82 2wcx n HIS 95 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2wcx s SER 96 N -1.84 5.67 0.22 0.41 1.04 -1.17 -4.88 113.70 113.14 2wcx s SER 96 Ca 0.47 1.93 -0.32 0.00 0.48 0.00 0.00 55.95 58.51 2wcx s SER 96 Cb 0.39 -2.55 -0.14 0.00 0.10 0.00 0.00 66.02 63.83 2wcx s SER 96 CO 0.08 -1.24 1.40 0.00 0.98 0.00 0.00 173.24 174.45 2wcx n ALA 97 N -1.90 0.90 -0.92 5.32 0.00 -1.26 -4.33 120.51 118.33 2wcx n ALA 97 Ca 0.10 0.42 -0.31 0.00 0.00 0.00 0.00 53.44 53.65 2wcx n ALA 97 Cb 0.52 -2.25 0.14 0.00 0.00 0.00 0.00 19.45 17.86 2wcx n ALA 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2wcx s LYS 98 N -0.22 1.46 0.60 0.00 -2.85 -1.26 -4.54 119.74 112.93 2wcx s LYS 98 Ca 0.70 1.49 -0.15 0.00 -1.00 0.00 0.00 55.97 57.02 2wcx s LYS 98 Cb -0.68 -1.78 -0.04 0.00 -2.06 0.00 0.00 37.83 33.27 2wcx s LYS 98 CO 0.48 -2.29 1.05 0.45 0.10 0.00 0.00 175.35 175.14 2wcx s SER 99 N -2.75 5.87 0.19 0.03 0.15 0.06 -4.63 113.70 112.62 2wcx s SER 99 Ca 0.66 1.74 0.24 0.00 0.70 0.00 0.00 55.95 59.29 2wcx s SER 99 Cb -0.22 -2.52 0.91 0.00 -1.71 0.00 0.00 66.02 62.47 2wcx s SER 99 CO 0.56 -1.10 1.73 0.29 1.20 0.00 0.00 173.24 175.91 2wcx n LYS 100 N -2.14 0.18 -0.91 5.44 5.02 -1.26 -3.72 118.16 120.76 2wcx n LYS 100 Ca 0.08 0.29 -0.08 0.00 -2.02 0.00 0.00 58.31 56.59 2wcx n LYS 100 Cb 0.53 -1.77 0.25 0.00 -0.02 0.00 0.00 35.03 34.01 2wcx n LYS 100 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2wcx n PHE 101 N -2.10 2.21 -0.62 2.13 3.01 -1.26 -4.90 117.46 115.93 2wcx n PHE 101 Ca 0.04 -1.15 0.00 0.00 1.01 0.00 0.00 57.45 57.35 2wcx n PHE 101 Cb 0.30 -0.66 0.00 0.00 -0.01 0.00 0.00 39.48 39.12 2wcx n PHE 101 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wcx n GLY 102 N -0.21 0.85 3.35 1.37 0.00 -1.24 -5.02 105.19 104.29 2wcx n GLY 102 Ca 0.38 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 2wcx n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wcx s TYR 103 N -2.00 0.12 0.04 1.61 -0.85 -1.26 -5.01 117.35 110.01 2wcx s TYR 103 Ca 0.00 -0.48 0.00 0.00 -0.52 0.00 0.00 57.07 56.07 2wcx s TYR 103 Cb 0.00 0.11 -0.00 0.00 0.38 0.00 0.00 41.96 42.45 2wcx s TYR 103 CO 0.00 -0.73 0.01 0.41 -1.52 0.00 0.00 175.55 173.72 2wcx n GLY 104 N -0.22 4.08 0.37 5.49 0.00 -1.26 -0.76 105.19 112.89 2wcx n GLY 104 Ca -0.11 -2.07 0.04 0.00 0.00 0.00 0.00 46.02 43.88 2wcx n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wcx h ALA 105 N 1.04 1.43 -0.27 4.61 0.00 -1.86 -0.96 119.26 123.25 2wcx h ALA 105 Ca -0.03 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 2wcx h ALA 105 Cb 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2wcx h ALA 105 CO 0.05 0.35 -0.35 -0.22 0.00 0.00 0.00 179.25 179.08 2wcx h LYS 106 N 1.10 0.61 -0.34 0.00 3.64 -1.91 0.15 116.57 119.81 2wcx h LYS 106 Ca 0.46 -0.29 -0.10 0.00 -1.27 0.00 0.00 60.65 59.45 2wcx h LYS 106 Cb 0.29 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 2wcx h LYS 106 CO -0.21 0.88 -0.20 -0.44 -2.27 0.00 0.00 179.45 177.21 2wcx h ASP 107 N 0.51 0.65 0.18 4.20 3.32 -1.64 -1.73 116.42 121.91 2wcx h ASP 107 Ca 0.05 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 2wcx h ASP 107 Cb 0.85 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.23 2wcx h ASP 107 CO 0.07 0.85 -0.09 0.58 -1.72 0.00 0.00 179.24 178.94 2wcx h VAL 108 N 0.58 0.90 -0.23 -1.35 2.07 -0.76 -1.05 116.25 116.40 2wcx h VAL 108 Ca 0.09 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2wcx h VAL 108 Cb 0.66 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2wcx h VAL 108 CO 0.05 0.09 0.15 0.03 0.02 0.00 0.00 177.57 177.92 2wcx h ARG 109 N -0.44 0.30 -0.64 1.57 3.08 -0.65 -1.97 114.38 115.64 2wcx h ARG 109 Ca -0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2wcx h ARG 109 Cb 0.34 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2wcx h ARG 109 CO 0.04 0.20 0.00 0.09 -1.07 0.00 0.00 179.97 179.23 2wcx n ASN 110 N -4.50 4.40 -3.59 7.04 4.13 -0.66 -4.74 115.26 117.34 2wcx n ASN 110 Ca 0.01 -2.47 -0.20 0.00 1.68 0.00 0.00 54.58 53.60 2wcx n ASN 110 Cb 0.08 -0.56 0.06 0.00 -1.54 0.00 0.00 39.78 37.82 2wcx n ASN 110 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2wcx n LEU 111 N 0.89 -3.51 -4.77 3.41 4.77 -0.74 -4.94 117.00 112.11 2wcx n LEU 111 Ca 0.23 -0.71 -0.39 0.00 -0.03 0.00 0.00 56.01 55.11 2wcx n LEU 111 Cb 0.85 -2.89 -0.04 0.00 -2.33 0.00 0.00 43.42 39.01 2wcx n LEU 111 CO 0.23 0.42 0.80 -0.94 -1.33 0.00 0.00 177.39 176.56 2wcx s SER 112 N -4.23 7.03 0.30 -1.43 1.04 -0.44 -4.89 113.70 111.08 2wcx s SER 112 Ca 0.08 2.25 0.01 0.00 0.48 0.00 0.00 55.95 58.77 2wcx s SER 112 Cb -0.04 -2.62 0.54 0.00 0.10 0.00 0.00 66.02 64.01 2wcx s SER 112 CO 0.77 -0.31 1.90 0.77 0.98 0.00 0.00 173.24 177.35 2wcx h SER 113 N 3.35 0.90 -0.27 7.02 4.64 -1.92 -0.80 113.55 126.47 2wcx h SER 113 Ca -0.47 0.01 0.04 0.00 -0.47 0.00 0.00 61.79 60.90 2wcx h SER 113 Cb 1.22 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 63.09 2wcx h SER 113 CO 0.65 0.56 0.02 0.50 -0.87 0.00 0.00 176.83 177.69 2wcx h LYS 114 N 1.02 0.10 0.01 4.77 3.64 -1.95 -0.25 116.57 123.90 2wcx h LYS 114 Ca 0.41 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.78 2wcx h LYS 114 Cb 0.26 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2wcx h LYS 114 CO -0.16 0.07 -0.00 0.00 -2.27 0.00 0.00 179.45 177.08 2wcx h ALA 115 N 1.22 -0.01 -0.30 5.00 0.00 -1.77 -1.90 119.26 121.50 2wcx h ALA 115 Ca 0.13 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2wcx h ALA 115 Cb 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2wcx h ALA 115 CO -0.20 -0.30 0.12 0.28 0.00 0.00 0.00 179.25 179.15 2wcx h VAL 116 N -0.43 0.94 -0.71 0.00 2.07 -1.09 0.13 116.25 117.15 2wcx h VAL 116 Ca -0.00 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 2wcx h VAL 116 Cb 0.42 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2wcx h VAL 116 CO 0.00 0.05 0.24 0.78 0.02 0.00 0.00 177.57 178.66 2wcx h ASN 117 N 0.26 1.02 -0.51 0.57 4.21 -1.07 -0.43 115.58 119.63 2wcx h ASN 117 Ca 0.13 -0.20 -0.04 0.00 1.21 0.00 0.00 56.30 57.41 2wcx h ASN 117 Cb 0.09 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 37.00 2wcx h ASN 117 CO -0.13 0.94 0.17 -0.74 -1.29 0.00 0.00 177.43 176.39 2wcx h HIS 118 N 1.04 0.81 -0.37 1.19 2.76 -0.65 -1.72 115.15 118.20 2wcx h HIS 118 Ca 0.23 -0.08 0.04 0.00 -2.20 0.00 0.00 60.37 58.36 2wcx h HIS 118 Cb 0.27 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 28.96 2wcx h HIS 118 CO 0.02 0.69 0.16 0.82 -1.30 0.00 0.00 177.93 178.32 2wcx h ILE 119 N 0.69 0.93 -0.99 6.26 2.04 -0.46 0.16 117.51 126.15 2wcx h ILE 119 Ca 0.17 -0.11 0.08 0.00 1.00 0.00 0.00 64.86 65.99 2wcx h ILE 119 Cb 0.25 0.58 -0.07 0.00 -0.74 0.00 0.00 36.82 36.84 2wcx h ILE 119 CO -0.01 0.06 0.64 0.45 0.00 0.00 0.00 178.15 179.29 2wcx h HIS 120 N 0.33 1.16 -0.13 1.37 3.86 -0.97 0.78 115.15 121.55 2wcx h HIS 120 Ca 0.16 0.03 -0.17 0.00 -1.16 0.00 0.00 60.37 59.23 2wcx h HIS 120 Cb 0.11 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.20 2wcx h HIS 120 CO -0.12 0.56 -0.64 0.66 0.86 0.00 0.00 177.93 179.25 2wcx h SER 121 N 1.10 0.55 -0.51 2.45 4.64 -0.24 -1.63 113.55 119.91 2wcx h SER 121 Ca 0.44 -0.32 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2wcx h SER 121 Cb 0.27 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 2wcx h SER 121 CO -0.19 1.04 0.31 0.58 -0.87 0.00 0.00 176.83 177.70 2wcx h VAL 122 N 0.35 1.15 -0.16 0.95 2.07 -0.05 -0.99 116.25 119.57 2wcx h VAL 122 Ca -0.01 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.19 2wcx h VAL 122 Cb 1.19 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2wcx h VAL 122 CO 0.11 0.15 0.06 -0.25 0.02 0.00 0.00 177.57 177.67 2wcx h TRP 123 N 0.68 0.12 -0.92 1.57 2.91 -0.57 -1.48 115.95 118.25 2wcx h TRP 123 Ca 0.18 0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.23 2wcx h TRP 123 Cb -0.02 -0.03 -0.05 0.00 -0.51 0.00 0.00 29.16 28.55 2wcx h TRP 123 CO -0.03 0.06 0.61 -0.22 -1.03 0.00 0.00 178.44 177.83 2wcx h LYS 124 N 0.14 1.18 -0.80 2.65 3.64 -1.16 -1.28 116.57 120.94 2wcx h LYS 124 Ca 0.06 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2wcx h LYS 124 Cb 0.03 -0.27 -0.04 0.00 -0.41 0.00 0.00 32.23 31.54 2wcx h LYS 124 CO -0.06 0.78 0.53 0.22 -2.27 0.00 0.00 179.45 178.65 2wcx h ASP 125 N 1.21 0.91 -0.50 4.20 3.58 -0.52 -0.70 116.42 124.60 2wcx h ASP 125 Ca 0.35 -0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.72 2wcx h ASP 125 Cb -0.08 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.71 2wcx h ASP 125 CO -0.09 0.66 0.12 -0.07 -2.88 0.00 0.00 179.24 176.98 2wcx h LEU 126 N 1.08 0.80 -0.61 2.28 3.38 -0.44 0.17 115.31 121.97 2wcx h LEU 126 Ca 0.29 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 2wcx h LEU 126 Cb -0.12 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 2wcx h LEU 126 CO -0.06 0.79 -0.61 -0.07 0.09 0.00 0.00 178.44 178.58 2wcx h LEU 127 N 0.82 0.34 0.00 1.67 3.38 -0.86 -3.32 115.31 117.34 2wcx h LEU 127 Ca 0.18 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2wcx h LEU 127 Cb 0.31 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2wcx h LEU 127 CO 0.00 0.86 -1.21 -0.62 0.09 0.00 0.00 178.44 177.56 2wcx n GLU 128 N -3.88 0.48 -3.84 1.13 1.02 -0.31 -4.81 120.64 110.43 2wcx n GLU 128 Ca -0.03 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.86 2wcx n GLU 128 Cb 0.62 -1.66 -0.17 0.00 -0.02 0.00 0.00 31.44 30.21 2wcx n GLU 128 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2wcx s ASP 129 N -4.57 2.17 -0.19 1.62 -1.08 0.55 -5.01 116.67 110.16 2wcx s ASP 129 Ca -0.00 -0.34 0.16 0.00 -0.52 0.00 0.00 52.55 51.84 2wcx s ASP 129 Cb 0.13 -0.70 0.48 0.00 -1.46 0.00 0.00 42.92 41.37 2wcx s ASP 129 CO 0.82 -0.17 1.37 0.35 0.52 0.00 0.00 175.17 178.06 2wcx n THR 130 N 5.01 2.26 0.00 1.71 -2.24 -1.26 -4.46 114.28 115.29 2wcx n THR 130 Ca -0.10 -2.14 0.00 0.00 -2.27 0.00 0.00 64.05 59.54 2wcx n THR 130 Cb 0.49 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 2wcx n THR 130 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2wcx n VAL 131 N -0.82 0.00 -1.96 2.28 0.31 -1.26 -4.54 118.33 112.34 2wcx n VAL 131 Ca 0.22 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.13 2wcx n VAL 131 Cb 0.87 -0.22 -0.03 0.00 -0.91 0.00 0.00 33.84 33.55 2wcx n VAL 131 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2wcx s THR 132 N -1.30 3.40 0.35 2.52 2.01 -1.26 -4.70 115.64 116.65 2wcx s THR 132 Ca 0.00 0.59 -0.29 0.00 0.31 0.00 0.00 61.69 62.30 2wcx s THR 132 Cb 0.00 -3.38 -0.11 0.00 0.01 0.00 0.00 72.50 69.02 2wcx s THR 132 CO 0.00 -0.04 1.50 -2.84 -0.69 0.00 0.00 174.62 172.55 2wcx s PRO 133 N 3.71 4.13 -0.00 4.92 0.02 -1.26 -4.73 135.00 141.79 2wcx s PRO 133 Ca 0.75 2.54 -0.15 0.00 0.02 0.00 0.00 61.00 64.16 2wcx s PRO 133 Cb -0.36 -2.99 -0.06 0.00 0.02 0.00 0.00 34.50 31.11 2wcx s PRO 133 CO 0.32 -0.53 0.41 0.42 -0.33 0.00 0.00 177.00 177.28 2wcx s ILE 134 N -0.81 5.03 0.46 2.83 1.01 0.54 -4.93 121.20 125.32 2wcx s ILE 134 Ca 0.55 0.85 -0.23 0.00 0.00 0.00 0.00 60.65 61.83 2wcx s ILE 134 Cb -0.46 -3.72 -0.08 0.00 0.01 0.00 0.00 42.46 38.21 2wcx s ILE 134 CO 0.58 0.57 1.13 -0.62 0.00 0.00 0.00 174.94 176.60 2wcx s ASP 135 N -1.00 6.27 0.11 3.58 2.15 -1.26 -4.26 116.67 122.26 2wcx s ASP 135 Ca 0.24 2.21 0.04 0.00 0.43 0.00 0.00 52.55 55.47 2wcx s ASP 135 Cb -0.17 -2.59 -0.04 0.00 -0.30 0.00 0.00 42.92 39.82 2wcx s ASP 135 CO 0.13 -0.84 -0.10 0.42 -0.17 0.00 0.00 175.17 174.61 2wcx s THR 136 N -1.62 0.99 -0.03 1.71 -4.23 -0.97 -4.33 115.64 107.16 2wcx s THR 136 Ca 0.63 -1.71 -0.02 0.00 -1.18 0.00 0.00 61.69 59.41 2wcx s THR 136 Cb -0.26 -1.45 -0.04 0.00 1.34 0.00 0.00 72.50 72.09 2wcx s THR 136 CO 0.31 -0.58 0.12 -0.89 -0.54 0.00 0.00 174.62 173.04 2wcx s THR 137 N -2.58 5.09 -0.11 3.99 2.01 0.17 0.12 115.64 124.34 2wcx s THR 137 Ca 0.07 -0.20 0.03 0.00 0.31 0.00 0.00 61.69 61.91 2wcx s THR 137 Cb -0.02 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.17 2wcx s THR 137 CO 0.00 0.41 -0.23 -0.51 -0.69 0.00 0.00 174.62 173.60 2wcx s ILE 138 N -1.19 2.15 0.11 1.82 2.07 -0.24 -1.66 121.20 124.26 2wcx s ILE 138 Ca 0.22 -0.98 0.02 0.00 -1.41 0.00 0.00 60.65 58.50 2wcx s ILE 138 Cb -0.12 -1.83 -0.04 0.00 0.13 0.00 0.00 42.46 40.59 2wcx s ILE 138 CO 0.13 0.55 -0.05 -0.04 -1.91 0.00 0.00 174.94 173.62 2wcx s MET 139 N 0.42 0.88 -0.11 3.50 -1.94 0.21 -4.38 119.30 117.90 2wcx s MET 139 Ca -0.16 -1.37 -0.18 0.00 -1.71 0.00 0.00 55.69 52.26 2wcx s MET 139 Cb -0.17 -0.21 -0.04 0.00 2.01 0.00 0.00 34.83 36.42 2wcx s MET 139 CO 0.07 -0.04 0.49 0.00 -0.01 0.00 0.00 175.02 175.53 2wcx s ALA 140 N -3.64 3.48 0.35 3.03 0.00 -1.26 -0.57 121.76 123.14 2wcx s ALA 140 Ca 0.14 -0.16 -0.26 0.00 0.00 0.00 0.00 51.96 51.67 2wcx s ALA 140 Cb 0.05 -2.65 -0.09 0.00 0.00 0.00 0.00 23.12 20.43 2wcx s ALA 140 CO -0.03 0.03 1.08 0.21 0.00 0.00 0.00 175.76 177.04 2wcx s LYS 141 N 0.52 4.36 -0.44 0.00 2.20 0.58 -4.79 119.74 122.17 2wcx s LYS 141 Ca 0.27 1.66 -0.11 0.00 -0.36 0.00 0.00 55.97 57.43 2wcx s LYS 141 Cb -0.15 -2.82 0.08 0.00 -1.51 0.00 0.00 37.83 33.42 2wcx s LYS 141 CO 0.11 -0.00 0.30 -0.80 -0.36 0.00 0.00 175.35 174.59 2wcx s ASN 142 N -1.25 5.76 0.08 1.43 0.02 -1.26 -4.38 114.94 115.34 2wcx s ASN 142 Ca 0.52 -1.49 0.05 0.00 -1.02 0.00 0.00 52.86 50.92 2wcx s ASN 142 Cb -0.27 -2.04 -0.03 0.00 0.02 0.00 0.00 41.25 38.94 2wcx s ASN 142 CO 0.34 -0.57 -0.13 -1.61 0.02 0.00 0.00 177.10 175.15 2wcx s GLU 143 N 1.47 0.83 -0.16 -0.60 2.02 -1.26 -4.89 118.70 116.10 2wcx s GLU 143 Ca 0.03 -1.01 -0.07 0.00 0.02 0.00 0.00 54.97 53.94 2wcx s GLU 143 Cb -0.24 -0.74 -0.04 0.00 0.10 0.00 0.00 34.13 33.22 2wcx s GLU 143 CO 0.03 0.15 0.06 0.08 0.02 0.00 0.00 175.26 175.61 2wcx s VAL 144 N -1.60 4.83 0.33 2.63 1.01 -1.26 -0.77 120.40 125.57 2wcx s VAL 144 Ca 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 61.99 2wcx s VAL 144 Cb -0.08 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 2wcx s VAL 144 CO 0.02 0.50 0.17 -0.36 0.00 0.00 0.00 175.10 175.42 2wcx s PHE 145 N 0.06 1.68 0.11 5.22 0.40 0.24 -4.82 117.98 120.88 2wcx s PHE 145 Ca 0.06 -1.39 0.10 0.00 -0.60 0.00 0.00 56.93 55.10 2wcx s PHE 145 Cb -0.12 -0.92 -0.04 0.00 0.51 0.00 0.00 43.02 42.45 2wcx s PHE 145 CO 0.01 -0.51 -0.26 0.00 0.70 0.00 0.00 175.22 175.16 2wcx n VAL 147 N 1.08 0.00 0.00 0.00 0.31 0.42 -4.95 118.33 115.20 2wcx n VAL 147 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 2wcx n VAL 147 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 2wcx n VAL 147 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wcx n GLY 153 N 0.00 0.56 3.62 2.92 0.00 -1.26 -5.02 105.19 106.01 2wcx n GLY 153 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 2wcx n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wcx n ARG 154 N 0.00 1.57 -3.23 1.61 1.74 -1.26 -4.97 116.66 112.12 2wcx n ARG 154 Ca 0.00 0.56 -0.37 0.00 -0.77 0.00 0.00 57.85 57.27 2wcx n ARG 154 Cb 0.00 -2.07 -0.06 0.00 -1.02 0.00 0.00 32.46 29.31 2wcx n ARG 154 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2wcx s LYS 155 N -0.90 4.17 0.77 5.56 -2.85 -1.26 -5.07 119.74 120.16 2wcx s LYS 155 Ca 0.65 0.72 -0.11 0.00 -1.00 0.00 0.00 55.97 56.24 2wcx s LYS 155 Cb -0.72 -3.03 0.05 0.00 -2.06 0.00 0.00 37.83 32.08 2wcx s LYS 155 CO 0.55 0.51 1.09 -1.25 0.10 0.00 0.00 175.35 176.34 2wcx s PRO 156 N -1.66 2.32 0.32 1.78 0.04 -1.26 -4.84 135.00 131.70 2wcx s PRO 156 Ca 0.37 0.74 -0.29 0.00 0.04 0.00 0.00 61.00 61.85 2wcx s PRO 156 Cb -0.17 -1.94 -0.12 0.00 0.04 0.00 0.00 34.50 32.31 2wcx s PRO 156 CO 0.20 -1.48 1.55 0.00 0.04 0.00 0.00 177.00 177.31 2wcx n ALA 157 N -3.36 2.43 -1.63 8.56 0.00 -1.26 -4.95 120.51 120.30 2wcx n ALA 157 Ca 0.07 0.36 -0.33 0.00 0.00 0.00 0.00 53.44 53.55 2wcx n ALA 157 Cb 0.55 -2.44 0.02 0.00 0.00 0.00 0.00 19.45 17.58 2wcx n ALA 157 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wcx s ARG 158 N -1.01 3.20 0.02 0.00 0.52 -1.26 -4.68 118.95 115.73 2wcx s ARG 158 Ca 0.61 1.21 -0.03 0.00 -0.52 0.00 0.00 55.73 57.00 2wcx s ARG 158 Cb -0.50 -2.02 -0.04 0.00 0.52 0.00 0.00 34.95 32.92 2wcx s ARG 158 CO 0.53 -0.91 0.21 -0.51 0.02 0.00 0.00 175.30 174.64 2wcx s LEU 159 N -4.66 4.36 -0.05 2.53 1.43 -1.26 -0.31 118.68 120.72 2wcx s LEU 159 Ca 0.64 0.37 0.03 0.00 -1.03 0.00 0.00 54.13 54.13 2wcx s LEU 159 Cb -0.16 -2.74 0.01 0.00 0.03 0.00 0.00 46.19 43.32 2wcx s LEU 159 CO 0.39 0.23 -0.12 -0.51 0.23 0.00 0.00 176.35 176.57 2wcx s ILE 160 N -1.38 1.09 -0.15 -0.59 1.10 0.26 -4.83 121.20 116.69 2wcx s ILE 160 Ca 0.30 -0.48 0.00 0.00 -0.51 0.00 0.00 60.65 59.96 2wcx s ILE 160 Cb -0.13 -0.99 0.03 0.00 0.15 0.00 0.00 42.46 41.52 2wcx s ILE 160 CO 0.21 0.34 -0.12 -0.69 -2.11 0.00 0.00 174.94 172.57 2wcx s VAL 161 N 0.51 1.43 0.01 4.00 1.01 -1.26 -0.62 120.40 125.48 2wcx s VAL 161 Ca -0.11 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 2wcx s VAL 161 Cb -0.14 -1.39 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 2wcx s VAL 161 CO 0.03 0.38 0.13 0.72 0.00 0.00 0.00 175.10 176.36 2wcx s PHE 162 N 1.54 0.08 0.90 5.22 -0.12 -0.66 -0.22 117.98 124.71 2wcx s PHE 162 Ca 0.04 -0.22 -0.11 0.00 -0.05 0.00 0.00 56.93 56.59 2wcx s PHE 162 Cb -0.13 -0.07 0.20 0.00 -0.63 0.00 0.00 43.02 42.39 2wcx s PHE 162 CO -0.10 -0.31 1.23 -0.35 -0.05 0.00 0.00 175.22 175.64 2wcx n PRO 163 N 1.26 -0.91 -1.55 1.99 -0.04 -1.26 -0.65 135.00 133.84 2wcx n PRO 163 Ca -0.22 -2.30 -0.32 0.00 -0.04 0.00 0.00 63.50 60.62 2wcx n PRO 163 Cb 0.56 -1.14 0.06 0.00 -0.04 0.00 0.00 33.50 32.95 2wcx n PRO 163 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2wcx s ASP 164 N -5.63 4.92 0.35 3.54 -1.08 -1.26 -4.76 116.67 112.74 2wcx s ASP 164 Ca 0.73 1.88 0.11 0.00 -0.52 0.00 0.00 52.55 54.74 2wcx s ASP 164 Cb -0.03 -2.53 0.88 0.00 -1.46 0.00 0.00 42.92 39.78 2wcx s ASP 164 CO 0.50 -1.76 1.80 0.25 0.52 0.00 0.00 175.17 176.48 2wcx h LEU 165 N -0.50 0.65 -0.61 -1.34 5.85 -1.82 -1.07 115.31 116.47 2wcx h LEU 165 Ca -0.45 0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.24 2wcx h LEU 165 Cb 1.23 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 2wcx h LEU 165 CO 0.53 0.22 -0.06 1.23 -0.34 0.00 0.00 178.44 180.02 2wcx h GLY 166 N 0.62 1.11 1.17 3.75 0.00 -1.95 -0.75 103.07 107.03 2wcx h GLY 166 Ca 0.55 -0.86 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 2wcx h GLY 166 CO -0.32 0.79 0.19 -2.08 0.00 0.00 0.00 176.54 175.12 2wcx h VAL 167 N 0.92 1.25 -0.00 4.60 2.07 -1.62 -1.98 116.25 121.49 2wcx h VAL 167 Ca 0.15 -0.88 -0.10 0.00 0.82 0.00 0.00 66.70 66.69 2wcx h VAL 167 Cb 0.62 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2wcx h VAL 167 CO 0.04 0.34 -0.48 0.03 0.02 0.00 0.00 177.57 177.52 2wcx h ARG 168 N 0.99 0.01 -0.12 1.57 3.08 -0.04 0.05 114.38 119.91 2wcx h ARG 168 Ca 0.22 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 2wcx h ARG 168 Cb 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 2wcx h ARG 168 CO -0.01 0.48 -0.12 0.28 -1.07 0.00 0.00 179.97 179.53 2wcx h VAL 169 N 0.01 1.36 -1.01 2.04 2.07 -0.87 -2.77 116.25 117.07 2wcx h VAL 169 Ca -0.00 -1.29 0.10 0.00 0.82 0.00 0.00 66.70 66.33 2wcx h VAL 169 Cb 0.85 1.93 -0.08 0.00 -1.52 0.00 0.00 31.29 32.47 2wcx h VAL 169 CO 0.06 0.37 0.64 0.00 0.02 0.00 0.00 177.57 178.66 2wcx h GLU 171 N 1.06 0.98 -0.39 0.00 5.08 -0.73 -1.63 114.58 118.95 2wcx h GLU 171 Ca 0.48 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.67 2wcx h GLU 171 Cb 0.39 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2wcx h GLU 171 CO -0.24 0.65 -0.20 0.87 -1.00 0.00 0.00 179.01 179.09 2wcx h LYS 172 N 1.01 0.75 -0.24 2.33 1.57 -0.93 0.71 116.57 121.78 2wcx h LYS 172 Ca 0.44 -0.29 0.04 0.00 -1.87 0.00 0.00 60.65 58.96 2wcx h LYS 172 Cb 0.34 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 2wcx h LYS 172 CO -0.20 0.90 0.02 0.52 -0.57 0.00 0.00 179.45 180.12 2wcx h MET 173 N 0.66 0.10 -0.05 3.15 2.86 -0.66 -0.18 114.93 120.81 2wcx h MET 173 Ca 0.10 -0.01 -0.22 0.00 -2.06 0.00 0.00 59.70 57.51 2wcx h MET 173 Cb 0.70 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.34 2wcx h MET 173 CO 0.05 0.07 -0.87 0.00 1.06 0.00 0.00 176.91 177.22 2wcx h ALA 174 N 1.19 0.38 0.00 6.32 0.00 -1.10 -1.13 119.26 124.92 2wcx h ALA 174 Ca 0.11 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2wcx h ALA 174 Cb 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2wcx h ALA 174 CO -0.17 0.76 0.00 1.28 0.00 0.00 0.00 179.25 181.12 2wcx n LEU 175 N -3.82 0.12 0.20 0.00 4.77 0.22 -4.74 117.00 113.75 2wcx n LEU 175 Ca -0.07 -0.33 -0.15 0.00 -0.03 0.00 0.00 56.01 55.43 2wcx n LEU 175 Cb 0.79 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.81 2wcx n LEU 175 CO 0.51 0.03 0.65 0.22 -1.33 0.00 0.00 177.39 177.48 2wcx h TYR 176 N 0.00 -0.86 -0.85 -1.77 3.20 -1.11 0.75 116.97 116.33 2wcx h TYR 176 Ca 0.00 0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.05 2wcx h TYR 176 Cb 0.05 0.34 -0.06 0.00 1.54 0.00 0.00 36.73 38.60 2wcx h TYR 176 CO 0.00 -0.45 0.56 0.22 -1.64 0.00 0.00 178.16 176.85 2wcx h ASP 177 N -0.66 0.45 0.30 -2.11 3.58 -1.78 -2.19 116.42 114.01 2wcx h ASP 177 Ca -0.01 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 2wcx h ASP 177 Cb 0.61 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.61 2wcx h ASP 177 CO -0.07 0.21 -0.15 0.58 -2.88 0.00 0.00 179.24 176.93 2wcx h VAL 178 N 0.47 0.70 0.00 2.25 2.07 -1.56 -3.08 116.25 117.10 2wcx h VAL 178 Ca 0.43 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 2wcx h VAL 178 Cb 0.97 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 2wcx h VAL 178 CO -0.16 0.11 -0.12 -0.37 0.02 0.00 0.00 177.57 177.05 2wcx h VAL 179 N -0.74 0.42 -0.00 2.57 -1.51 -0.82 0.26 116.25 116.42 2wcx h VAL 179 Ca -0.04 -0.63 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 2wcx h VAL 179 Cb 0.50 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 2wcx h VAL 179 CO 0.07 0.11 -0.32 -1.54 -1.23 0.00 0.00 177.57 174.66 2wcx n SER 180 N -3.43 0.78 0.00 4.19 3.41 -0.83 -4.45 113.62 113.28 2wcx n SER 180 Ca -0.01 -0.62 0.00 0.00 -0.26 0.00 0.00 58.87 57.98 2wcx n SER 180 Cb 0.28 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 2wcx n SER 180 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2wcx n THR 181 N -0.98 0.00 -0.09 6.66 -1.04 -0.90 -4.92 114.28 113.01 2wcx n THR 181 Ca 0.10 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.00 2wcx n THR 181 Cb 0.34 -0.37 -0.04 0.00 -1.82 0.00 0.00 70.33 68.44 2wcx n THR 181 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2wcx h LEU 182 N 0.00 0.47 -0.91 -4.42 6.46 -0.71 -3.26 115.31 112.95 2wcx h LEU 182 Ca 0.00 -0.33 0.03 0.00 -0.12 0.00 0.00 57.88 57.45 2wcx h LEU 182 Cb 0.64 -0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.39 2wcx h LEU 182 CO 0.00 0.69 0.59 -0.65 -0.62 0.00 0.00 178.44 178.45 2wcx h PRO 183 N 0.24 1.14 -0.30 5.25 0.11 -1.80 -0.64 132.00 136.00 2wcx h PRO 183 Ca 0.07 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 66.03 2wcx h PRO 183 Cb 0.46 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 2wcx h PRO 183 CO 0.02 0.75 -0.17 0.37 -0.21 0.00 0.00 178.00 178.76 2wcx h GLN 184 N 1.17 0.54 -0.30 1.05 4.15 -1.89 0.80 115.11 120.63 2wcx h GLN 184 Ca 0.35 -0.18 -0.12 0.00 0.77 0.00 0.00 58.65 59.47 2wcx h GLN 184 Cb -0.05 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 2wcx h GLN 184 CO -0.10 0.70 -0.28 0.28 -1.93 0.00 0.00 178.83 177.49 2wcx h VAL 185 N 0.49 1.30 0.01 2.39 2.07 -1.33 0.09 116.25 121.27 2wcx h VAL 185 Ca 0.08 -1.45 -0.24 0.00 0.82 0.00 0.00 66.70 65.92 2wcx h VAL 185 Cb 0.58 1.54 0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2wcx h VAL 185 CO 0.04 0.47 -0.97 0.58 0.02 0.00 0.00 177.57 177.70 2wcx h VAL 186 N 0.48 1.38 -0.00 2.57 2.07 -0.95 -3.35 116.25 118.45 2wcx h VAL 186 Ca 0.05 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.14 2wcx h VAL 186 Cb 0.85 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 33.05 2wcx h VAL 186 CO 0.07 0.73 -0.70 0.23 0.02 0.00 0.00 177.57 177.93 2wcx n MET 187 N -3.76 2.05 0.00 1.57 2.81 0.26 -4.93 117.12 115.12 2wcx n MET 187 Ca -0.08 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.79 2wcx n MET 187 Cb 0.85 -1.21 0.00 0.00 -0.71 0.00 0.00 33.22 32.15 2wcx n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wcx n GLY 188 N 1.35 2.66 0.18 3.03 0.00 0.02 -1.92 105.19 110.50 2wcx n GLY 188 Ca 0.03 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 45.94 2wcx n GLY 188 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wcx h SER 189 N 4.07 0.00 1.23 1.61 4.64 -1.94 -2.20 113.55 120.95 2wcx h SER 189 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wcx h SER 189 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2wcx h SER 189 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 2wcx n SER 190 N -2.36 0.50 -4.57 4.97 7.64 -0.81 -4.68 113.62 114.31 2wcx n SER 190 Ca -0.01 0.55 -0.41 0.00 1.01 0.00 0.00 58.87 60.01 2wcx n SER 190 Cb 0.05 -0.69 -0.03 0.00 -1.01 0.00 0.00 64.21 62.53 2wcx n SER 190 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2wcx s TYR 191 N -3.08 2.08 0.36 1.43 5.04 -0.83 -1.16 117.35 121.20 2wcx s TYR 191 Ca 0.11 0.47 0.24 0.00 -2.44 0.00 0.00 57.07 55.46 2wcx s TYR 191 Cb 0.14 -4.34 1.24 0.00 0.35 0.00 0.00 41.96 39.35 2wcx s TYR 191 CO 0.55 -2.15 1.99 0.78 -1.34 0.00 0.00 175.55 175.38 2wcx h GLY 192 N 14.02 0.00 2.00 8.97 0.00 -1.27 -3.08 103.07 123.71 2wcx h GLY 192 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2wcx h GLY 192 CO 1.20 0.00 0.00 0.69 0.00 0.00 0.00 176.54 178.43 2wcx n PHE 193 N -3.68 0.20 0.67 5.60 3.01 -1.26 -1.93 117.46 120.05 2wcx n PHE 193 Ca -0.01 0.08 0.13 0.00 1.01 0.00 0.00 57.45 58.65 2wcx n PHE 193 Cb 0.30 -0.62 0.43 0.00 -0.01 0.00 0.00 39.48 39.58 2wcx n PHE 193 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wcx n GLN 194 N -1.68 0.23 -3.70 -1.08 10.64 -1.17 -4.85 117.38 115.78 2wcx n GLN 194 Ca 0.03 0.20 -0.37 0.00 -1.83 0.00 0.00 57.00 55.03 2wcx n GLN 194 Cb 0.19 -1.77 -0.07 0.00 -0.86 0.00 0.00 30.24 27.74 2wcx n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 2wcx s TYR 195 N -3.09 3.55 0.96 2.61 4.12 -0.81 -5.05 117.35 119.63 2wcx s TYR 195 Ca 0.11 0.59 -0.12 0.00 0.02 0.00 0.00 57.07 57.67 2wcx s TYR 195 Cb 0.13 -2.14 0.17 0.00 -1.52 0.00 0.00 41.96 38.59 2wcx s TYR 195 CO 0.58 0.51 1.12 -1.54 0.02 0.00 0.00 175.55 176.24 2wcx s SER 196 N -0.40 3.04 0.21 2.29 1.04 -1.26 -4.73 113.70 113.89 2wcx s SER 196 Ca 0.16 1.05 -0.10 0.00 0.48 0.00 0.00 55.95 57.54 2wcx s SER 196 Cb -0.13 -1.66 0.30 0.00 0.10 0.00 0.00 66.02 64.63 2wcx s SER 196 CO 0.04 -2.85 1.71 -0.65 0.98 0.00 0.00 173.24 172.47 2wcx h PRO 197 N -1.70 0.28 -0.16 4.02 0.11 -1.90 0.94 132.00 133.58 2wcx h PRO 197 Ca -0.53 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.45 2wcx h PRO 197 Cb 1.33 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 2wcx h PRO 197 CO 0.60 0.19 -0.39 0.78 -0.21 0.00 0.00 178.00 178.96 2wcx h GLY 198 N 0.29 0.40 1.21 -0.55 0.00 -1.93 -1.12 103.07 101.37 2wcx h GLY 198 Ca 0.32 -0.38 -0.17 0.00 0.00 0.00 0.00 47.33 47.10 2wcx h GLY 198 CO -0.39 0.34 -0.49 1.46 0.00 0.00 0.00 176.54 177.47 2wcx h GLN 199 N 0.31 0.84 -0.40 4.80 4.20 -1.75 -0.02 115.11 123.09 2wcx h GLN 199 Ca 0.03 -0.49 0.01 0.00 0.06 0.00 0.00 58.65 58.25 2wcx h GLN 199 Cb 0.83 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 2wcx h GLN 199 CO 0.07 1.13 0.26 -0.09 -0.67 0.00 0.00 178.83 179.53 2wcx h ARG 200 N 0.66 0.52 -0.50 1.46 2.43 -0.49 -0.78 114.38 117.68 2wcx h ARG 200 Ca 0.03 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2wcx h ARG 200 Cb 1.08 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.49 2wcx h ARG 200 CO 0.11 0.34 0.33 0.28 -1.51 0.00 0.00 179.97 179.52 2wcx h VAL 201 N 0.53 1.12 -0.52 0.20 2.07 -0.97 -1.13 116.25 117.56 2wcx h VAL 201 Ca 0.15 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.46 2wcx h VAL 201 Cb -0.05 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 2wcx h VAL 201 CO -0.04 0.12 0.31 -0.08 0.02 0.00 0.00 177.57 177.90 2wcx h GLU 202 N 0.67 0.60 -0.42 1.57 4.81 -0.71 0.28 114.58 121.39 2wcx h GLU 202 Ca 0.18 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2wcx h GLU 202 Cb -0.07 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 2wcx h GLU 202 CO -0.05 0.40 0.20 0.35 -0.73 0.00 0.00 179.01 179.18 2wcx h PHE 203 N 0.62 0.61 -0.21 0.92 3.57 -0.94 -1.67 116.94 119.85 2wcx h PHE 203 Ca 0.21 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 2wcx h PHE 203 Cb 0.01 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 2wcx h PHE 203 CO -0.06 0.50 0.04 -0.07 -2.23 0.00 0.00 178.31 176.49 2wcx h LEU 204 N 0.54 0.33 -0.44 0.59 3.38 -0.38 -1.36 115.31 117.97 2wcx h LEU 204 Ca 0.14 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2wcx h LEU 204 Cb 0.13 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2wcx h LEU 204 CO -0.02 0.50 0.21 0.58 0.09 0.00 0.00 178.44 179.80 2wcx h VAL 205 N 0.14 1.18 -0.56 1.22 2.07 -0.47 0.46 116.25 120.30 2wcx h VAL 205 Ca 0.06 -0.53 -0.10 0.00 0.82 0.00 0.00 66.70 66.95 2wcx h VAL 205 Cb 0.31 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2wcx h VAL 205 CO 0.00 0.20 -0.03 0.78 0.02 0.00 0.00 177.57 178.54 2wcx h ASN 206 N 0.57 1.00 0.09 0.57 2.35 -1.30 -0.35 115.58 118.51 2wcx h ASN 206 Ca 0.15 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2wcx h ASN 206 Cb 0.13 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 2wcx h ASN 206 CO -0.02 1.08 -0.08 0.74 -1.65 0.00 0.00 177.43 177.51 2wcx h THR 207 N 0.90 0.82 -0.21 2.81 2.02 -1.08 -2.25 112.91 115.92 2wcx h THR 207 Ca 0.16 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.37 2wcx h THR 207 Cb 0.59 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 2wcx h THR 207 CO 0.04 0.00 -0.01 -0.25 0.37 0.00 0.00 175.52 175.66 2wcx h TRP 208 N -0.18 -0.04 0.00 3.16 2.91 -0.54 -2.14 115.95 119.12 2wcx h TRP 208 Ca 0.00 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.04 2wcx h TRP 208 Cb 0.17 0.05 0.00 0.00 -0.51 0.00 0.00 29.16 28.87 2wcx h TRP 208 CO -0.10 -0.05 0.00 0.87 -1.03 0.00 0.00 178.44 178.13 2wcx h LYS 209 N 0.05 0.00 0.00 2.65 1.57 -1.05 -2.71 116.57 117.08 2wcx h LYS 209 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2wcx h LYS 209 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2wcx h LYS 209 CO -0.18 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.36 2wcx h SER 210 N 0.00 0.00 -3.43 0.86 4.64 -0.75 -3.45 113.55 111.42 2wcx h SER 210 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 2wcx h SER 210 Cb 0.35 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 2wcx h SER 210 CO 0.00 0.00 -0.05 -0.54 -0.87 0.00 0.00 176.83 175.37 2wcx s LYS 211 N -3.23 3.96 0.14 4.77 -0.14 -1.02 -4.99 119.74 119.22 2wcx s LYS 211 Ca 0.07 0.50 -0.07 0.00 -1.36 0.00 0.00 55.97 55.11 2wcx s LYS 211 Cb 0.09 -2.79 -0.06 0.00 -1.68 0.00 0.00 37.83 33.39 2wcx s LYS 211 CO 0.60 0.39 1.36 0.87 -0.76 0.00 0.00 175.35 177.80 2wcx h LYS 212 N 3.10 0.58 -2.46 1.68 1.57 -1.87 -3.38 116.57 115.79 2wcx h LYS 212 Ca -0.48 -0.49 -0.55 0.00 -1.87 0.00 0.00 60.65 57.25 2wcx h LYS 212 Cb 1.18 0.11 -0.38 0.00 0.08 0.00 0.00 32.23 33.23 2wcx h LYS 212 CO 0.67 1.12 -0.85 -0.80 -0.57 0.00 0.00 179.45 179.02 2wcx s ASN 213 N -7.06 2.51 0.42 0.86 0.01 -1.26 -5.08 114.94 105.34 2wcx s ASN 213 Ca -0.08 -2.23 -0.24 0.00 -0.71 0.00 0.00 52.86 49.60 2wcx s ASN 213 Cb 0.09 -0.27 -0.08 0.00 0.41 0.00 0.00 41.25 41.40 2wcx s ASN 213 CO 0.87 -0.28 1.16 -2.16 -1.51 0.00 0.00 177.10 175.18 2wcx s PRO 214 N 0.98 3.96 0.01 -0.60 0.04 -1.26 -0.05 135.00 138.08 2wcx s PRO 214 Ca 0.20 1.80 0.01 0.00 0.04 0.00 0.00 61.00 63.05 2wcx s PRO 214 Cb -0.18 -2.58 -0.01 0.00 0.04 0.00 0.00 34.50 31.77 2wcx s PRO 214 CO -0.02 -0.39 -0.03 1.41 0.04 0.00 0.00 177.00 178.01 2wcx s MET 215 N -2.44 0.26 0.14 4.56 1.75 -0.67 -4.67 119.30 118.23 2wcx s MET 215 Ca 0.59 -0.28 -0.06 0.00 -1.25 0.00 0.00 55.69 54.69 2wcx s MET 215 Cb -0.29 -0.14 -0.02 0.00 2.84 0.00 0.00 34.83 37.22 2wcx s MET 215 CO 0.37 0.03 0.19 0.20 -0.65 0.00 0.00 175.02 175.15 2wcx s GLY 216 N -0.53 0.56 0.05 2.11 0.00 -0.48 -0.87 107.32 108.15 2wcx s GLY 216 Ca -0.04 -1.03 -0.22 0.00 0.00 0.00 0.00 44.72 43.43 2wcx s GLY 216 CO -0.00 -1.01 0.52 -0.11 0.00 0.00 0.00 173.10 172.50 2wcx s PHE 217 N -3.97 -0.43 0.10 1.90 -0.71 -0.42 0.40 117.98 114.85 2wcx s PHE 217 Ca 0.16 0.46 0.03 0.00 -1.04 0.00 0.00 56.93 56.54 2wcx s PHE 217 Cb 0.05 0.35 -0.04 0.00 -1.21 0.00 0.00 43.02 42.17 2wcx s PHE 217 CO -0.02 -0.66 0.13 -1.54 -1.34 0.00 0.00 175.22 171.79 2wcx s SER 218 N -2.03 5.71 0.01 1.98 1.04 -1.26 -1.02 113.70 118.12 2wcx s SER 218 Ca -0.05 0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.41 2wcx s SER 218 Cb -0.01 -1.58 -0.01 0.00 0.10 0.00 0.00 66.02 64.53 2wcx s SER 218 CO -0.02 0.14 -0.03 -0.47 0.98 0.00 0.00 173.24 173.84 2wcx s TYR 219 N -1.51 0.22 -0.04 5.02 5.04 -0.26 -4.60 117.35 121.22 2wcx s TYR 219 Ca 0.31 -0.15 -0.03 0.00 -2.44 0.00 0.00 57.07 54.77 2wcx s TYR 219 Cb -0.12 -0.14 0.02 0.00 0.35 0.00 0.00 41.96 42.07 2wcx s TYR 219 CO 0.24 -0.04 0.10 0.34 -1.34 0.00 0.00 175.55 174.85 2wcx s ASP 220 N -0.39 -0.08 0.10 4.32 2.15 -1.26 -1.32 116.67 120.19 2wcx s ASP 220 Ca -0.03 0.21 -0.22 0.00 0.43 0.00 0.00 52.55 52.94 2wcx s ASP 220 Cb -0.03 0.16 -0.07 0.00 -0.30 0.00 0.00 42.92 42.68 2wcx s ASP 220 CO -0.00 -0.08 0.65 -0.89 -0.17 0.00 0.00 175.17 174.68 2wcx s THR 221 N 0.55 4.62 -0.10 1.71 2.01 -1.25 -1.93 115.64 121.25 2wcx s THR 221 Ca -0.04 1.40 -0.30 0.00 0.31 0.00 0.00 61.69 63.07 2wcx s THR 221 Cb -0.06 -3.99 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 2wcx s THR 221 CO -0.02 0.53 1.23 -0.60 -0.69 0.00 0.00 174.62 175.06 2wcx s ARG 222 N -1.00 4.30 -1.23 4.92 3.52 -0.18 -3.84 118.95 125.44 2wcx s ARG 222 Ca 0.32 1.67 -0.22 0.00 -0.13 0.00 0.00 55.73 57.37 2wcx s ARG 222 Cb -0.21 -3.65 0.01 0.00 -1.56 0.00 0.00 34.95 29.55 2wcx s ARG 222 CO 0.22 -0.57 0.66 0.00 -0.81 0.00 0.00 175.30 174.80 2wcx h PHE 224 N -2.16 0.09 -0.78 0.00 3.57 -1.95 -0.33 116.94 115.38 2wcx h PHE 224 Ca -0.68 0.04 0.06 0.00 3.53 0.00 0.00 57.97 60.92 2wcx h PHE 224 Cb 1.38 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 40.13 2wcx h PHE 224 CO 0.38 -0.10 0.51 -0.44 -2.23 0.00 0.00 178.31 176.43 2wcx h ASP 225 N 0.19 0.75 0.83 0.41 3.32 -1.91 0.76 116.42 120.77 2wcx h ASP 225 Ca 0.32 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.27 2wcx h ASP 225 Cb 0.50 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 2wcx h ASP 225 CO -0.46 0.49 -0.48 0.28 -1.72 0.00 0.00 179.24 177.35 2wcx h SER 226 N 0.85 0.00 1.30 6.45 0.02 -1.39 -2.43 113.55 118.36 2wcx h SER 226 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 2wcx h SER 226 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2wcx h SER 226 CO -0.11 0.48 0.00 0.35 -1.14 0.00 0.00 176.83 176.41 2wcx n THR 227 N -3.59 0.55 -2.37 -2.27 -2.24 0.22 -4.74 114.28 99.85 2wcx n THR 227 Ca -0.00 -0.17 -0.43 0.00 -2.27 0.00 0.00 64.05 61.18 2wcx n THR 227 Cb 0.57 -0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 68.13 2wcx n THR 227 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2wcx s VAL 228 N -3.11 4.13 0.67 2.28 1.01 -0.96 -4.85 120.40 119.57 2wcx s VAL 228 Ca 0.10 1.42 -0.01 0.00 0.00 0.00 0.00 61.98 63.49 2wcx s VAL 228 Cb 0.13 -3.91 0.09 0.00 0.00 0.00 0.00 36.38 32.69 2wcx s VAL 228 CO 0.56 -0.07 0.93 0.42 0.00 0.00 0.00 175.10 176.94 2wcx s THR 229 N 3.00 2.31 0.15 3.92 -4.23 -1.26 -4.09 115.64 115.44 2wcx s THR 229 Ca 0.58 -0.58 -0.17 0.00 -1.18 0.00 0.00 61.69 60.35 2wcx s THR 229 Cb -0.25 -2.74 0.01 0.00 1.34 0.00 0.00 72.50 70.86 2wcx s THR 229 CO 0.20 0.00 1.80 -0.08 -0.54 0.00 0.00 174.62 176.00 2wcx h GLU 230 N -0.36 0.46 -0.65 3.99 4.81 -1.88 -1.95 114.58 118.99 2wcx h GLU 230 Ca -0.39 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.83 2wcx h GLU 230 Cb 1.28 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 2wcx h GLU 230 CO 0.46 0.30 0.41 -0.97 -0.73 0.00 0.00 179.01 178.48 2wcx h ASN 231 N 0.47 0.68 -0.73 1.04 -1.24 -1.97 0.41 115.58 114.24 2wcx h ASN 231 Ca 0.14 -0.01 0.08 0.00 0.71 0.00 0.00 56.30 57.23 2wcx h ASN 231 Cb -0.02 -0.15 -0.07 0.00 0.73 0.00 0.00 38.32 38.81 2wcx h ASN 231 CO -0.05 0.48 0.39 0.44 -1.29 0.00 0.00 177.43 177.40 2wcx h ASP 232 N 0.81 0.55 0.11 1.15 3.32 -1.82 0.19 116.42 120.73 2wcx h ASP 232 Ca 0.25 0.05 -0.14 0.00 0.02 0.00 0.00 57.03 57.20 2wcx h ASP 232 Cb -0.02 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2wcx h ASP 232 CO -0.09 0.33 -0.51 0.40 -1.72 0.00 0.00 179.24 177.65 2wcx h ILE 233 N 0.69 1.33 -0.02 0.35 2.04 -0.81 -0.98 117.51 120.09 2wcx h ILE 233 Ca 0.35 -1.75 -0.13 0.00 1.00 0.00 0.00 64.86 64.33 2wcx h ILE 233 Cb 0.30 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 2wcx h ILE 233 CO -0.23 0.54 -0.58 0.03 0.00 0.00 0.00 178.15 177.90 2wcx h ARG 234 N 0.36 0.08 -0.31 2.37 3.08 -0.30 -1.99 114.38 117.66 2wcx h ARG 234 Ca 0.01 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 2wcx h ARG 234 Cb 1.02 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 2wcx h ARG 234 CO 0.09 0.64 -0.40 0.28 -1.07 0.00 0.00 179.97 179.51 2wcx h VAL 235 N 0.06 1.29 -0.37 2.04 2.07 -0.29 -1.12 116.25 119.93 2wcx h VAL 235 Ca -0.01 -1.58 0.05 0.00 0.82 0.00 0.00 66.70 65.98 2wcx h VAL 235 Cb 1.05 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 32.33 2wcx h VAL 235 CO 0.08 0.52 0.10 -0.33 0.02 0.00 0.00 177.57 177.96 2wcx h GLU 236 N 0.60 0.23 -1.00 1.57 5.08 -1.07 -0.58 114.58 119.41 2wcx h GLU 236 Ca 0.04 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.44 2wcx h GLU 236 Cb 1.00 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.13 2wcx h GLU 236 CO 0.10 0.15 0.65 1.49 -1.00 0.00 0.00 179.01 180.40 2wcx h GLU 237 N 0.24 1.19 0.00 2.33 4.22 -1.09 -1.19 114.58 120.28 2wcx h GLU 237 Ca 0.17 -0.07 -0.10 0.00 0.08 0.00 0.00 59.36 59.45 2wcx h GLU 237 Cb 0.18 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2wcx h GLU 237 CO -0.20 0.78 -0.45 0.66 -2.18 0.00 0.00 179.01 177.62 2wcx h SER 238 N 1.22 0.00 -0.16 1.04 4.64 -0.21 0.25 113.55 120.34 2wcx h SER 238 Ca 0.42 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.72 2wcx h SER 238 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 2wcx h SER 238 CO -0.15 0.45 0.03 0.40 -0.87 0.00 0.00 176.83 176.69 2wcx h ILE 239 N 0.00 1.21 -0.73 0.95 2.04 -0.35 -2.70 117.51 117.94 2wcx h ILE 239 Ca -0.00 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 65.21 2wcx h ILE 239 Cb 0.81 1.37 -0.05 0.00 -0.74 0.00 0.00 36.82 38.22 2wcx h ILE 239 CO 0.06 0.21 0.45 1.88 0.00 0.00 0.00 178.15 180.74 2wcx h TYR 240 N 0.05 0.83 0.00 1.37 0.99 -0.04 -1.64 116.97 118.54 2wcx h TYR 240 Ca 0.05 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.80 2wcx h TYR 240 Cb 0.29 -0.27 0.00 0.00 1.00 0.00 0.00 36.73 37.75 2wcx h TYR 240 CO 0.01 0.45 0.00 1.04 -0.00 0.00 0.00 178.16 179.67 2wcx n GLN 241 N -4.67 0.02 0.22 4.88 1.13 -0.05 -1.47 117.38 117.44 2wcx n GLN 241 Ca 0.09 0.26 0.08 0.00 -1.94 0.00 0.00 57.00 55.49 2wcx n GLN 241 Cb 0.12 -1.54 0.52 0.00 0.11 0.00 0.00 30.24 29.45 2wcx n GLN 241 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wcx s ASP 244 N -2.33 6.47 0.24 0.00 -1.08 -0.24 -5.00 116.67 114.73 2wcx s ASP 244 Ca 0.71 0.12 0.09 0.00 -0.52 0.00 0.00 52.55 52.94 2wcx s ASP 244 Cb -0.25 -2.53 -0.05 0.00 -1.46 0.00 0.00 42.92 38.63 2wcx s ASP 244 CO 0.47 -1.37 -0.15 -0.76 0.52 0.00 0.00 175.17 173.87 2wcx s LEU 245 N 4.64 2.57 0.45 -1.34 1.43 -1.26 -1.76 118.68 123.40 2wcx s LEU 245 Ca 0.42 -1.05 -0.23 0.00 -1.03 0.00 0.00 54.13 52.25 2wcx s LEU 245 Cb -0.08 -0.81 -0.08 0.00 0.03 0.00 0.00 46.19 45.25 2wcx s LEU 245 CO 0.26 -0.12 1.10 0.00 0.23 0.00 0.00 176.35 177.82 2wcx s ALA 246 N -2.82 2.98 0.27 4.21 0.00 -1.26 -4.86 121.76 120.28 2wcx s ALA 246 Ca 0.26 0.79 0.00 0.00 0.00 0.00 0.00 51.96 53.01 2wcx s ALA 246 Cb -0.01 -3.32 0.61 0.00 0.00 0.00 0.00 23.12 20.40 2wcx s ALA 246 CO 0.10 -0.45 1.71 -1.35 0.00 0.00 0.00 175.76 175.77 2wcx h PRO 247 N 2.07 0.40 -0.18 0.00 0.11 -2.00 0.64 132.00 133.05 2wcx h PRO 247 Ca -0.49 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 2wcx h PRO 247 Cb 1.23 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2wcx h PRO 247 CO 0.61 0.27 -0.10 0.93 -0.21 0.00 0.00 178.00 179.49 2wcx h GLU 248 N 0.42 0.28 -0.32 1.05 5.08 -2.00 -2.27 114.58 116.81 2wcx h GLU 248 Ca 0.50 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.71 2wcx h GLU 248 Cb 0.87 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2wcx h GLU 248 CO -0.49 0.39 -0.13 0.00 -1.00 0.00 0.00 179.01 177.78 2wcx h ALA 249 N 1.63 0.45 -0.84 3.43 0.00 -1.31 -1.67 119.26 120.96 2wcx h ALA 249 Ca 0.06 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.71 2wcx h ALA 249 Cb 0.35 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 2wcx h ALA 249 CO 0.02 0.34 0.51 0.00 0.00 0.00 0.00 179.25 180.12 2wcx h ARG 250 N 0.43 0.88 -0.55 0.00 3.08 -0.59 -0.51 114.38 117.12 2wcx h ARG 250 Ca 0.07 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.97 2wcx h ARG 250 Cb 0.66 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 2wcx h ARG 250 CO 0.04 0.58 -0.05 0.37 -1.07 0.00 0.00 179.97 179.85 2wcx h GLN 251 N 0.91 1.01 -0.47 0.04 5.75 -1.30 -1.17 115.11 119.88 2wcx h GLN 251 Ca 0.37 -0.35 -0.14 0.00 -0.15 0.00 0.00 58.65 58.39 2wcx h GLN 251 Cb 0.21 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 2wcx h GLN 251 CO -0.19 1.03 -0.24 0.00 -2.65 0.00 0.00 178.83 176.78 2wcx h ALA 252 N 0.94 0.67 -0.21 3.38 0.00 -0.89 -0.19 119.26 122.96 2wcx h ALA 252 Ca 0.15 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2wcx h ALA 252 Cb 0.61 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2wcx h ALA 252 CO 0.04 0.68 -0.09 0.82 0.00 0.00 0.00 179.25 180.70 2wcx h ILE 253 N 0.85 1.30 -0.18 0.00 2.04 -1.00 0.36 117.51 120.88 2wcx h ILE 253 Ca 0.10 -1.14 0.05 0.00 1.00 0.00 0.00 64.86 64.88 2wcx h ILE 253 Cb 0.83 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 38.45 2wcx h ILE 253 CO 0.07 0.35 -0.13 0.50 0.00 0.00 0.00 178.15 178.94 2wcx h LYS 254 N 0.15 -0.13 -0.08 2.37 3.64 -1.07 -1.45 116.57 119.99 2wcx h LYS 254 Ca 0.05 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2wcx h LYS 254 Cb 0.57 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2wcx h LYS 254 CO 0.03 -0.09 0.05 1.03 -2.27 0.00 0.00 179.45 178.20 2wcx h SER 255 N -0.13 0.11 -0.65 4.20 0.87 -0.67 -0.56 113.55 116.72 2wcx h SER 255 Ca 0.11 -0.08 0.12 0.00 -1.23 0.00 0.00 61.79 60.70 2wcx h SER 255 Cb 0.30 -0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 62.14 2wcx h SER 255 CO -0.26 0.16 0.20 -0.07 -0.53 0.00 0.00 176.83 176.33 2wcx h LEU 256 N 0.05 0.14 0.17 2.23 3.38 -0.24 0.20 115.31 121.23 2wcx h LEU 256 Ca 0.03 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2wcx h LEU 256 Cb 0.07 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2wcx h LEU 256 CO -0.00 0.07 -0.10 0.74 0.09 0.00 0.00 178.44 179.24 2wcx h THR 257 N 0.35 0.80 -0.40 0.22 2.02 -0.84 0.96 112.91 116.02 2wcx h THR 257 Ca 0.34 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.41 2wcx h THR 257 Cb 0.49 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 2wcx h THR 257 CO -0.38 0.00 -0.19 -0.33 0.37 0.00 0.00 175.52 174.99 2wcx h GLU 258 N -0.25 0.76 0.00 6.66 4.39 -0.73 -0.82 114.58 124.59 2wcx h GLU 258 Ca -0.02 -0.29 -0.13 0.00 0.34 0.00 0.00 59.36 59.26 2wcx h GLU 258 Cb 0.21 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 2wcx h GLU 258 CO 0.02 0.90 -1.72 0.54 -1.16 0.00 0.00 179.01 177.59 2wcx n ARG 259 N -4.13 0.64 0.04 2.33 1.74 0.66 -4.64 116.66 113.31 2wcx n ARG 259 Ca 0.00 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 2wcx n ARG 259 Cb 0.41 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 2wcx n ARG 259 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wcx n LEU 260 N -2.64 0.48 -0.15 0.55 7.94 0.14 -0.34 117.00 122.99 2wcx n LEU 260 Ca -0.11 0.12 -0.10 0.00 -1.11 0.00 0.00 56.01 54.81 2wcx n LEU 260 Cb 0.78 -0.11 -0.01 0.00 0.53 0.00 0.00 43.42 44.62 2wcx n LEU 260 CO 0.43 -0.47 0.82 1.88 -1.11 0.00 0.00 177.39 178.94 2wcx h TYR 261 N 0.00 0.80 0.00 1.96 0.05 -0.88 -2.69 116.97 116.21 2wcx h TYR 261 Ca 0.00 -0.12 0.00 0.00 0.05 0.00 0.00 58.73 58.66 2wcx h TYR 261 Cb 0.36 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 37.88 2wcx h TYR 261 CO 0.00 0.78 0.00 -0.84 -1.05 0.00 0.00 178.16 177.05 2wcx h ILE 262 N 0.59 0.00 0.00 -2.88 3.07 -1.41 -3.42 117.51 113.46 2wcx h ILE 262 Ca 0.13 -0.41 0.00 0.00 1.55 0.00 0.00 64.86 66.13 2wcx h ILE 262 Cb 0.43 1.36 0.00 0.00 -0.27 0.00 0.00 36.82 38.35 2wcx h ILE 262 CO 0.02 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.73 2wcx n GLY 263 N -0.11 -0.78 0.00 0.16 0.00 -1.01 -3.86 105.19 99.59 2wcx n GLY 263 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.43 2wcx n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wcx n GLY 264 N -0.94 -0.16 3.79 -0.02 0.00 -0.56 -4.14 105.19 103.17 2wcx n GLY 264 Ca 0.00 -1.37 -0.36 0.00 0.00 0.00 0.00 46.02 44.29 2wcx n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wcx s PRO 265 N -1.89 4.44 -0.13 1.61 0.04 -1.26 -0.82 135.00 136.99 2wcx s PRO 265 Ca 0.00 1.28 -0.02 0.00 0.04 0.00 0.00 61.00 62.30 2wcx s PRO 265 Cb 0.00 -2.59 -0.03 0.00 0.04 0.00 0.00 34.50 31.92 2wcx s PRO 265 CO 0.00 0.15 -0.04 -0.51 0.04 0.00 0.00 177.00 176.64 2wcx s LEU 266 N -2.44 3.26 -0.06 -3.56 1.43 0.45 -2.29 118.68 115.47 2wcx s LEU 266 Ca 0.54 -0.08 0.05 0.00 -1.03 0.00 0.00 54.13 53.62 2wcx s LEU 266 Cb -0.16 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 2wcx s LEU 266 CO 0.21 0.24 -0.22 -0.89 0.23 0.00 0.00 176.35 175.91 2wcx s THR 267 N -0.04 1.87 0.95 5.49 2.01 0.12 -0.62 115.64 125.41 2wcx s THR 267 Ca 0.01 -0.95 -0.15 0.00 0.31 0.00 0.00 61.69 60.92 2wcx s THR 267 Cb -0.13 -1.59 0.17 0.00 0.01 0.00 0.00 72.50 70.96 2wcx s THR 267 CO 0.03 0.52 1.24 0.54 -0.69 0.00 0.00 174.62 176.25 2wcx s ASN 268 N 0.03 3.21 0.44 3.53 2.20 -0.10 -1.08 114.94 123.16 2wcx s ASN 268 Ca -0.07 0.54 0.30 0.00 -0.94 0.00 0.00 52.86 52.68 2wcx s ASN 268 Cb -0.14 -0.79 1.51 0.00 -2.00 0.00 0.00 41.25 39.83 2wcx s ASN 268 CO 0.04 -2.70 1.91 0.77 -2.94 0.00 0.00 177.10 174.19 2wcx h SER 269 N -1.61 0.00 -0.08 3.54 4.64 -1.76 -1.38 113.55 116.89 2wcx h SER 269 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2wcx h SER 269 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2wcx h SER 269 CO 0.48 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.73 2wcx n LYS 270 N -2.60 1.95 -0.75 4.77 4.76 -1.26 -4.95 118.16 120.08 2wcx n LYS 270 Ca -0.01 -1.39 0.00 0.00 -2.87 0.00 0.00 58.31 54.04 2wcx n LYS 270 Cb 0.12 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 2wcx n LYS 270 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wcx n GLY 271 N 1.25 0.59 3.89 0.72 0.00 -0.52 -5.04 105.19 106.07 2wcx n GLY 271 Ca 0.17 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 2wcx n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wcx s GLN 272 N -0.77 3.71 -0.23 1.61 -0.21 -1.26 -4.84 119.66 117.67 2wcx s GLN 272 Ca 0.00 0.10 -0.29 0.00 0.02 0.00 0.00 55.36 55.19 2wcx s GLN 272 Cb 0.00 -2.71 0.00 0.00 1.00 0.00 0.00 33.01 31.30 2wcx s GLN 272 CO 0.00 0.34 1.13 1.21 -2.12 0.00 0.00 175.29 175.85 2wcx s ASN 273 N -2.56 7.01 0.11 5.90 2.47 -1.26 -0.92 114.94 125.68 2wcx s ASN 273 Ca 0.45 1.42 0.22 0.00 0.42 0.00 0.00 52.86 55.37 2wcx s ASN 273 Cb -0.11 -2.54 -0.09 0.00 -1.45 0.00 0.00 41.25 37.06 2wcx s ASN 273 CO 0.24 -0.75 0.88 0.00 -3.72 0.00 0.00 177.10 173.75 2wcx n GLY 275 N 1.24 0.28 2.87 0.00 0.00 -1.19 -0.82 105.19 107.57 2wcx n GLY 275 Ca -0.01 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.49 2wcx n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2wcx s TYR 276 N -3.49 -0.01 -0.13 1.61 5.04 -0.35 -0.41 117.35 119.63 2wcx s TYR 276 Ca 0.00 0.04 -0.01 0.00 -2.44 0.00 0.00 57.07 54.66 2wcx s TYR 276 Cb 0.00 -0.03 -0.02 0.00 0.35 0.00 0.00 41.96 42.26 2wcx s TYR 276 CO 0.00 -0.02 -0.08 0.50 -1.34 0.00 0.00 175.55 174.61 2wcx s ARG 277 N 0.15 3.36 -0.15 4.97 3.52 0.00 -0.81 118.95 129.99 2wcx s ARG 277 Ca -0.01 -0.60 0.15 0.00 -0.13 0.00 0.00 55.73 55.14 2wcx s ARG 277 Cb -0.02 -2.73 0.41 0.00 -1.56 0.00 0.00 34.95 31.05 2wcx s ARG 277 CO -0.00 0.32 1.20 0.54 -0.81 0.00 0.00 175.30 176.54 2wcx n ARG 278 N 3.26 1.14 -1.72 5.12 1.74 0.17 -1.49 116.66 124.87 2wcx n ARG 278 Ca -0.18 -2.89 0.00 0.00 -0.77 0.00 0.00 57.85 54.01 2wcx n ARG 278 Cb 0.53 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 2wcx n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wcx s ARG 280 N -1.79 4.31 0.28 0.00 6.06 -0.95 -4.51 118.95 122.35 2wcx s ARG 280 Ca 0.00 2.10 -0.26 0.00 -2.50 0.00 0.00 55.73 55.07 2wcx s ARG 280 Cb 0.00 -3.24 -0.09 0.00 0.06 0.00 0.00 34.95 31.68 2wcx s ARG 280 CO 0.00 -0.45 0.90 0.00 -2.50 0.00 0.00 175.30 173.25 2wcx s ALA 281 N 1.10 3.28 -0.55 6.12 0.00 -1.26 -4.77 121.76 125.67 2wcx s ALA 281 Ca 0.65 0.47 0.24 0.00 0.00 0.00 0.00 51.96 53.32 2wcx s ALA 281 Cb -0.37 -3.11 0.42 0.00 0.00 0.00 0.00 23.12 20.05 2wcx s ALA 281 CO 0.30 0.21 1.48 0.66 0.00 0.00 0.00 175.76 178.42 2wcx h SER 282 N 3.45 0.00 -0.59 0.00 4.64 -1.88 -3.36 113.55 115.81 2wcx h SER 282 Ca -0.47 -0.06 -0.39 0.00 -0.47 0.00 0.00 61.79 60.40 2wcx h SER 282 Cb 1.19 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.03 2wcx h SER 282 CO 0.66 0.03 -0.21 0.61 -0.87 0.00 0.00 176.83 177.05 2wcx n GLY 283 N 1.25 5.64 3.70 -0.77 0.00 0.69 -4.86 105.19 110.84 2wcx n GLY 283 Ca 0.04 -1.94 -0.24 0.00 0.00 0.00 0.00 46.02 43.88 2wcx n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wcx s VAL 284 N -4.01 2.83 0.36 1.61 -7.23 -1.26 -4.55 120.40 108.14 2wcx s VAL 284 Ca 0.50 -1.77 0.07 0.00 -1.81 0.00 0.00 61.98 58.97 2wcx s VAL 284 Cb 0.42 -2.93 0.15 0.00 0.56 0.00 0.00 36.38 34.59 2wcx s VAL 284 CO 0.01 -0.17 1.88 0.25 -0.31 0.00 0.00 175.10 176.76 2wcx h LEU 285 N 1.61 0.33 -0.91 1.32 5.85 -1.94 -2.25 115.31 119.32 2wcx h LEU 285 Ca -0.43 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2wcx h LEU 285 Cb 1.25 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.20 2wcx h LEU 285 CO 0.65 0.47 0.00 0.35 -0.34 0.00 0.00 178.44 179.57 2wcx n THR 286 N -4.26 0.26 0.06 1.05 -2.24 -1.26 -4.35 114.28 103.54 2wcx n THR 286 Ca 0.00 -0.31 -0.13 0.00 -2.27 0.00 0.00 64.05 61.34 2wcx n THR 286 Cb 0.28 0.19 -0.08 0.00 -2.10 0.00 0.00 70.33 68.62 2wcx n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2wcx h THR 287 N 1.61 1.01 -0.01 4.28 2.02 -1.69 0.18 112.91 120.32 2wcx h THR 287 Ca 0.00 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 2wcx h THR 287 Cb 0.36 1.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 2wcx h THR 287 CO 0.00 0.07 -0.00 -1.28 0.37 0.00 0.00 175.52 174.67 2wcx h SER 288 N -0.20 0.02 0.08 4.18 0.87 -1.81 -0.47 113.55 116.21 2wcx h SER 288 Ca -0.01 -0.44 -0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2wcx h SER 288 Cb 0.18 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2wcx h SER 288 CO 0.01 0.45 -0.04 0.00 -0.53 0.00 0.00 176.83 176.73 2wcx h GLY 290 N -0.21 0.88 1.37 0.00 0.00 -0.66 -0.98 103.07 103.48 2wcx h GLY 290 Ca -0.01 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 2wcx h GLY 290 CO 0.02 0.51 0.27 3.43 0.00 0.00 0.00 176.54 180.76 2wcx h ASN 291 N 0.72 0.74 -0.18 0.19 2.35 -0.96 -0.94 115.58 117.50 2wcx h ASN 291 Ca 0.16 -0.07 -0.14 0.00 -0.55 0.00 0.00 56.30 55.70 2wcx h ASN 291 Cb 0.31 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2wcx h ASN 291 CO -0.00 0.64 -0.44 0.74 -1.65 0.00 0.00 177.43 176.71 2wcx h THR 292 N 0.82 1.33 -0.34 2.81 2.02 -0.89 -0.10 112.91 118.56 2wcx h THR 292 Ca 0.20 -1.69 -0.01 0.00 0.77 0.00 0.00 66.41 65.68 2wcx h THR 292 Cb 0.10 1.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 2wcx h THR 292 CO -0.03 0.52 0.16 -0.07 0.37 0.00 0.00 175.52 176.48 2wcx h LEU 293 N 0.28 0.45 -0.59 2.58 3.38 -1.07 -0.54 115.31 119.79 2wcx h LEU 293 Ca -0.01 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 2wcx h LEU 293 Cb 1.05 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 2wcx h LEU 293 CO 0.10 0.45 -0.03 0.74 0.09 0.00 0.00 178.44 179.79 2wcx h THR 294 N 0.42 1.27 -0.49 0.22 2.02 -1.14 -1.04 112.91 114.16 2wcx h THR 294 Ca 0.12 -1.19 -0.09 0.00 0.77 0.00 0.00 66.41 66.02 2wcx h THR 294 Cb 0.13 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 2wcx h THR 294 CO -0.01 0.43 -0.05 0.00 0.37 0.00 0.00 175.52 176.26 2wcx h TYR 296 N 0.76 0.93 0.10 0.00 3.20 -0.93 -0.18 116.97 120.85 2wcx h TYR 296 Ca 0.13 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 2wcx h TYR 296 Cb 0.58 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.57 2wcx h TYR 296 CO 0.04 0.73 -0.05 1.25 -1.64 0.00 0.00 178.16 178.50 2wcx h LEU 297 N 0.86 -0.11 -0.39 2.82 5.85 -1.01 -0.14 115.31 123.19 2wcx h LEU 297 Ca 0.21 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 2wcx h LEU 297 Cb 0.18 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2wcx h LEU 297 CO -0.02 0.05 -0.12 0.11 -0.34 0.00 0.00 178.44 178.13 2wcx h LYS 298 N -0.27 0.76 -0.53 1.25 1.57 -1.14 -2.34 116.57 115.87 2wcx h LYS 298 Ca -0.01 -0.30 -0.07 0.00 -1.87 0.00 0.00 60.65 58.40 2wcx h LYS 298 Cb 0.22 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2wcx h LYS 298 CO 0.02 0.91 0.08 0.00 -0.57 0.00 0.00 179.45 179.89 2wcx h ALA 299 N 0.83 0.70 -0.62 3.86 0.00 -1.02 0.13 119.26 123.14 2wcx h ALA 299 Ca 0.10 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.76 2wcx h ALA 299 Cb 0.64 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2wcx h ALA 299 CO 0.04 0.45 0.41 0.77 0.00 0.00 0.00 179.25 180.92 2wcx h SER 300 N 0.76 0.72 -0.44 0.00 0.02 -0.96 0.20 113.55 113.85 2wcx h SER 300 Ca 0.16 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.97 2wcx h SER 300 Cb 0.42 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 2wcx h SER 300 CO 0.01 0.52 -0.19 0.00 -1.14 0.00 0.00 176.83 176.03 2wcx h ALA 301 N 1.22 0.61 -0.31 3.77 0.00 -1.21 -2.75 119.26 120.60 2wcx h ALA 301 Ca 0.23 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2wcx h ALA 301 Cb -0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2wcx h ALA 301 CO -0.05 0.58 -0.02 0.00 0.00 0.00 0.00 179.25 179.76 2wcx h ALA 302 N 0.84 1.39 -0.81 0.00 0.00 -0.47 -1.71 119.26 118.51 2wcx h ALA 302 Ca 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2wcx h ALA 302 Cb 0.76 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 2wcx h ALA 302 CO 0.06 0.42 0.47 0.00 0.00 0.00 0.00 179.25 180.21 2wcx h ARG 304 N 1.12 0.56 -0.15 0.00 3.08 -1.19 -1.63 114.38 116.17 2wcx h ARG 304 Ca 0.29 -0.30 0.03 0.00 0.07 0.00 0.00 59.98 60.07 2wcx h ARG 304 Cb -0.02 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 2wcx h ARG 304 CO -0.05 0.90 -0.07 0.00 -1.07 0.00 0.00 179.97 179.68 2wcx h ALA 305 N 0.65 0.07 0.00 0.04 0.00 -1.15 -1.63 119.26 117.23 2wcx h ALA 305 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2wcx h ALA 305 Cb 0.81 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2wcx h ALA 305 CO 0.06 -0.51 0.00 0.00 0.00 0.00 0.00 179.25 178.80 2wcx n ALA 306 N -2.39 1.50 -3.27 0.00 0.00 -0.48 -4.91 120.51 110.96 2wcx n ALA 306 Ca -0.03 -0.01 -0.24 0.00 0.00 0.00 0.00 53.44 53.17 2wcx n ALA 306 Cb 0.13 -1.22 0.04 0.00 0.00 0.00 0.00 19.45 18.41 2wcx n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wcx n LYS 307 N -1.66 -5.62 -2.27 0.00 5.02 -0.62 -4.81 118.16 108.20 2wcx n LYS 307 Ca 0.02 0.83 -0.41 0.00 -2.02 0.00 0.00 58.31 56.74 2wcx n LYS 307 Cb 0.14 -5.74 -0.03 0.00 -0.02 0.00 0.00 35.03 29.38 2wcx n LYS 307 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wcx s LEU 308 N -6.88 4.48 -0.15 -0.35 1.43 -0.81 -4.97 118.68 111.43 2wcx s LEU 308 Ca 0.41 2.49 -0.22 0.00 -1.03 0.00 0.00 54.13 55.79 2wcx s LEU 308 Cb -0.19 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.37 2wcx s LEU 308 CO 0.51 -0.37 0.66 -1.58 0.23 0.00 0.00 176.35 175.80 2wcx s GLN 309 N -1.52 4.29 -1.23 1.70 0.74 -1.26 -4.42 119.66 117.96 2wcx s GLN 309 Ca 0.48 0.71 -0.11 0.00 0.05 0.00 0.00 55.36 56.49 2wcx s GLN 309 Cb -0.36 -3.53 -0.01 0.00 1.10 0.00 0.00 33.01 30.21 2wcx s GLN 309 CO 0.47 -0.13 0.70 -3.47 -0.55 0.00 0.00 175.29 172.30 2wcx n ASP 310 N 4.60 -3.36 -4.74 6.67 2.03 -1.26 -0.99 116.55 119.51 2wcx n ASP 310 Ca -0.01 -0.95 -0.41 0.00 0.52 0.00 0.00 54.79 53.93 2wcx n ASP 310 Cb 0.50 -3.56 -0.04 0.00 -0.72 0.00 0.00 41.12 37.30 2wcx n ASP 310 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wcx s THR 312 N -0.35 0.93 0.17 0.00 2.01 0.22 -4.99 115.64 113.63 2wcx s THR 312 Ca 0.49 -0.39 0.10 0.00 0.31 0.00 0.00 61.69 62.20 2wcx s THR 312 Cb -0.30 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 2wcx s THR 312 CO 0.36 0.30 -0.18 -0.04 -0.69 0.00 0.00 174.62 174.37 2wcx s MET 313 N 0.51 1.76 -0.07 4.92 -1.94 -1.26 -1.18 119.30 122.04 2wcx s MET 313 Ca -0.10 -1.35 0.00 0.00 -1.71 0.00 0.00 55.69 52.54 2wcx s MET 313 Cb -0.13 -2.02 0.02 0.00 2.01 0.00 0.00 34.83 34.71 2wcx s MET 313 CO 0.02 0.43 -0.05 -1.17 -0.01 0.00 0.00 175.02 174.24 2wcx s LEU 314 N -2.57 1.12 -0.06 -0.03 2.96 -0.37 -4.08 118.68 115.65 2wcx s LEU 314 Ca 0.21 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 2wcx s LEU 314 Cb -0.09 -0.60 0.01 0.00 0.50 0.00 0.00 46.19 46.01 2wcx s LEU 314 CO 0.12 -0.10 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.21 2wcx s VAL 315 N 1.40 1.24 -0.30 1.68 1.01 -0.30 -0.60 120.40 124.53 2wcx s VAL 315 Ca -0.03 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 2wcx s VAL 315 Cb -0.13 -1.11 0.10 0.00 0.00 0.00 0.00 36.38 35.24 2wcx s VAL 315 CO -0.03 0.37 0.13 0.20 0.00 0.00 0.00 175.10 175.77 2wcx s ASN 316 N 0.46 3.67 1.58 3.32 -0.87 -0.25 -0.86 114.94 122.00 2wcx s ASN 316 Ca -0.12 -1.47 0.00 0.00 -1.57 0.00 0.00 52.86 49.71 2wcx s ASN 316 Cb -0.14 -0.53 0.00 0.00 -0.02 0.00 0.00 41.25 40.56 2wcx s ASN 316 CO 0.04 -0.42 0.00 0.61 -2.57 0.00 0.00 177.10 174.75 2wcx n GLY 317 N 5.03 3.36 0.28 0.66 0.00 -1.26 -1.23 105.19 112.04 2wcx n GLY 317 Ca -0.04 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.85 2wcx n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wcx n ASP 318 N 3.39 0.84 -4.52 1.61 5.75 -1.26 -4.25 116.55 118.11 2wcx n ASP 318 Ca 0.00 -1.75 -0.43 0.00 -0.01 0.00 0.00 54.79 52.60 2wcx n ASP 318 Cb 0.00 -0.08 -0.05 0.00 -1.03 0.00 0.00 41.12 39.96 2wcx n ASP 318 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2wcx s ASP 319 N -1.33 6.37 -0.06 -1.12 1.11 -0.36 -3.95 116.67 117.33 2wcx s ASP 319 Ca 0.22 -0.28 0.03 0.00 0.18 0.00 0.00 52.55 52.70 2wcx s ASP 319 Cb 0.11 -2.39 -0.03 0.00 1.07 0.00 0.00 42.92 41.69 2wcx s ASP 319 CO 0.17 -1.00 -0.12 -0.22 1.18 0.00 0.00 175.17 175.17 2wcx s LEU 320 N 3.40 2.86 -0.07 1.23 2.96 -0.44 -1.09 118.68 127.54 2wcx s LEU 320 Ca 0.28 -0.15 0.05 0.00 -0.22 0.00 0.00 54.13 54.09 2wcx s LEU 320 Cb -0.13 -1.60 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 2wcx s LEU 320 CO 0.20 0.34 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.65 2wcx s VAL 321 N -0.67 1.96 -0.09 1.68 1.01 0.23 -1.10 120.40 123.43 2wcx s VAL 321 Ca 0.10 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.12 2wcx s VAL 321 Cb -0.11 -1.67 -0.00 0.00 0.00 0.00 0.00 36.38 34.59 2wcx s VAL 321 CO 0.01 0.54 -0.24 -0.69 0.00 0.00 0.00 175.10 174.73 2wcx s VAL 322 N 0.01 2.13 -0.09 2.92 1.01 -0.19 -1.24 120.40 124.95 2wcx s VAL 322 Ca -0.08 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 60.92 2wcx s VAL 322 Cb -0.15 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.44 2wcx s VAL 322 CO 0.05 0.56 -0.18 -0.63 0.00 0.00 0.00 175.10 174.90 2wcx s ILE 323 N 0.17 1.60 0.24 2.22 1.01 -0.33 -1.30 121.20 124.82 2wcx s ILE 323 Ca -0.13 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.79 2wcx s ILE 323 Cb -0.16 -1.42 -0.00 0.00 0.01 0.00 0.00 42.46 40.88 2wcx s ILE 323 CO 0.07 0.46 0.29 0.00 0.00 0.00 0.00 174.94 175.75 2wcx s GLU 325 N -2.72 4.42 0.38 0.00 0.41 -0.16 -1.66 118.70 119.37 2wcx s GLU 325 Ca 0.23 1.04 -0.27 0.00 -0.41 0.00 0.00 54.97 55.56 2wcx s GLU 325 Cb 0.00 -3.49 -0.10 0.00 -1.78 0.00 0.00 34.13 28.76 2wcx s GLU 325 CO 0.17 -0.09 1.37 0.45 -0.49 0.00 0.00 175.26 176.67 2wcx s SER 326 N 0.96 6.43 -0.00 -0.19 0.15 0.93 -4.48 113.70 117.50 2wcx s SER 326 Ca 0.41 2.81 0.17 0.00 0.70 0.00 0.00 55.95 60.05 2wcx s SER 326 Cb -0.18 -2.65 0.50 0.00 -1.71 0.00 0.00 66.02 61.98 2wcx s SER 326 CO 0.18 -0.79 1.42 0.00 1.20 0.00 0.00 173.24 175.25 2wcx n ALA 327 N 0.42 2.31 0.00 5.45 0.00 -1.26 -4.94 120.51 122.49 2wcx n ALA 327 Ca 0.02 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.20 2wcx n ALA 327 Cb 0.41 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.15 2wcx n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wcx n GLY 328 N 1.12 2.46 0.40 0.00 0.00 -1.26 -4.62 105.19 103.28 2wcx n GLY 328 Ca 0.19 -2.01 -0.18 0.00 0.00 0.00 0.00 46.02 44.03 2wcx n GLY 328 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2wcx h THR 329 N 0.00 0.23 -0.25 2.61 2.02 -1.98 0.10 112.91 115.64 2wcx h THR 329 Ca 0.00 -0.12 -0.12 0.00 0.77 0.00 0.00 66.41 66.94 2wcx h THR 329 Cb 0.00 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 2wcx h THR 329 CO 0.00 0.01 -0.35 1.56 0.37 0.00 0.00 175.52 177.11 2wcx h GLN 330 N -1.07 0.55 -0.54 6.66 1.08 -1.99 -0.21 115.11 119.59 2wcx h GLN 330 Ca -0.10 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 56.85 2wcx h GLN 330 Cb 0.77 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.16 2wcx h GLN 330 CO 0.16 0.82 0.35 0.93 -0.95 0.00 0.00 178.83 180.14 2wcx h GLU 331 N 0.46 0.73 -0.36 1.46 3.07 -1.79 -0.78 114.58 117.37 2wcx h GLU 331 Ca 0.05 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.80 2wcx h GLU 331 Cb 0.83 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.56 2wcx h GLU 331 CO 0.07 0.50 0.01 -0.44 -1.40 0.00 0.00 179.01 177.75 2wcx h ASP 332 N 0.73 0.61 -0.86 1.42 3.32 -0.51 0.12 116.42 121.25 2wcx h ASP 332 Ca 0.20 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 2wcx h ASP 332 Cb -0.06 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 2wcx h ASP 332 CO -0.04 0.76 0.42 0.00 -1.72 0.00 0.00 179.24 178.66 2wcx h ALA 333 N 0.87 1.10 -0.35 3.45 0.00 -0.76 -2.13 119.26 121.44 2wcx h ALA 333 Ca 0.10 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 2wcx h ALA 333 Cb 0.44 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2wcx h ALA 333 CO 0.02 0.66 -0.31 0.00 0.00 0.00 0.00 179.25 179.62 2wcx h ALA 334 N 1.23 0.51 -0.99 0.00 0.00 -0.79 -2.77 119.26 116.45 2wcx h ALA 334 Ca 0.29 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2wcx h ALA 334 Cb 0.11 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2wcx h ALA 334 CO -0.04 0.55 0.65 0.66 0.00 0.00 0.00 179.25 181.07 2wcx h SER 335 N 0.62 1.12 -0.65 0.00 4.64 -0.51 -1.82 113.55 116.94 2wcx h SER 335 Ca 0.06 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.32 2wcx h SER 335 Cb 0.89 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.68 2wcx h SER 335 CO 0.08 0.80 0.25 -0.07 -0.87 0.00 0.00 176.83 177.01 2wcx h LEU 336 N 1.31 0.91 -1.16 5.97 4.07 -1.31 -0.44 115.31 124.66 2wcx h LEU 336 Ca 0.37 -0.18 0.02 0.00 0.08 0.00 0.00 57.88 58.17 2wcx h LEU 336 Cb -0.11 -0.24 -0.05 0.00 1.08 0.00 0.00 40.66 41.35 2wcx h LEU 336 CO -0.09 0.84 0.57 0.03 -1.08 0.00 0.00 178.44 178.71 2wcx h ARG 337 N 0.92 1.10 -0.16 1.13 3.08 -1.22 0.17 114.38 119.39 2wcx h ARG 337 Ca 0.22 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 2wcx h ARG 337 Cb 0.22 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2wcx h ARG 337 CO -0.02 0.73 -0.21 0.28 -1.07 0.00 0.00 179.97 179.68 2wcx h VAL 338 N 1.13 1.23 -0.09 2.04 2.07 -0.65 -0.55 116.25 121.43 2wcx h VAL 338 Ca 0.33 -1.04 -0.07 0.00 0.82 0.00 0.00 66.70 66.74 2wcx h VAL 338 Cb -0.06 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2wcx h VAL 338 CO -0.09 0.32 -0.23 0.15 0.02 0.00 0.00 177.57 177.75 2wcx h PHE 339 N 0.26 0.40 -0.54 1.57 3.57 -0.52 -2.02 116.94 119.66 2wcx h PHE 339 Ca 0.05 -0.16 -0.02 0.00 3.53 0.00 0.00 57.97 61.37 2wcx h PHE 339 Cb 0.52 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 2wcx h PHE 339 CO 0.01 0.84 0.25 1.15 -2.23 0.00 0.00 178.31 178.34 2wcx h THR 340 N -0.16 1.20 -0.68 4.41 2.02 -0.51 -0.82 112.91 118.38 2wcx h THR 340 Ca -0.00 -0.59 0.05 0.00 0.77 0.00 0.00 66.41 66.64 2wcx h THR 340 Cb 0.84 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 67.79 2wcx h THR 340 CO 0.05 0.23 0.39 -0.33 0.37 0.00 0.00 175.52 176.23 2wcx h GLU 341 N 0.73 0.71 0.08 6.66 5.08 -1.02 -0.06 114.58 126.76 2wcx h GLU 341 Ca 0.18 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2wcx h GLU 341 Cb 0.13 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2wcx h GLU 341 CO -0.02 0.47 -0.04 0.00 -1.00 0.00 0.00 179.01 178.42 2wcx h ALA 342 N 1.34 -0.11 -0.73 3.43 0.00 -0.88 -1.48 119.26 120.84 2wcx h ALA 342 Ca 0.30 -0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.30 2wcx h ALA 342 Cb 0.15 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.88 2wcx h ALA 342 CO -0.16 -0.52 0.23 0.52 0.00 0.00 0.00 179.25 179.31 2wcx h MET 343 N -0.18 0.33 -0.55 0.00 2.86 -0.86 -1.05 114.93 115.48 2wcx h MET 343 Ca -0.01 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 2wcx h MET 343 Cb 0.15 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 2wcx h MET 343 CO 0.02 0.22 0.22 1.15 1.06 0.00 0.00 176.91 179.58 2wcx h THR 344 N 0.34 1.22 -0.00 2.22 2.02 -0.91 0.38 112.91 118.19 2wcx h THR 344 Ca 0.40 -0.70 -0.04 0.00 0.77 0.00 0.00 66.41 66.85 2wcx h THR 344 Cb 0.65 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2wcx h THR 344 CO -0.45 0.27 -0.17 0.03 0.37 0.00 0.00 175.52 175.57 2wcx h ARG 345 N 0.76 0.00 -0.00 6.66 3.08 -0.47 -0.78 114.38 123.62 2wcx h ARG 345 Ca 0.18 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2wcx h ARG 345 Cb 0.21 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2wcx h ARG 345 CO -0.01 0.17 -0.04 0.66 -1.07 0.00 0.00 179.97 179.67 2wcx n TYR 346 N -4.34 0.00 0.00 3.04 4.01 -0.47 -1.00 117.16 118.41 2wcx n TYR 346 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2wcx n TYR 346 Cb 0.24 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 2wcx n TYR 346 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2wcx n SER 347 N -0.90 0.00 -3.67 7.72 2.88 -0.30 -4.87 113.62 114.48 2wcx n SER 347 Ca 0.18 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.44 2wcx n SER 347 Cb 0.23 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.59 2wcx n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wcx n ALA 348 N -1.19 3.57 -1.68 -1.46 0.00 0.12 -4.78 120.51 115.09 2wcx n ALA 348 Ca 0.00 -4.47 -0.33 0.00 0.00 0.00 0.00 53.44 48.64 2wcx n ALA 348 Cb 0.00 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 18.50 2wcx n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wcx s PRO 349 N -1.71 3.36 0.43 0.00 0.04 -1.26 -3.98 135.00 131.88 2wcx s PRO 349 Ca 0.31 1.19 -0.10 0.00 0.04 0.00 0.00 61.00 62.45 2wcx s PRO 349 Cb 0.04 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 2wcx s PRO 349 CO -0.11 -0.78 0.79 -1.25 0.04 0.00 0.00 177.00 175.69 2wcx s PRO 350 N -4.06 3.73 0.13 0.56 0.04 -1.26 -1.01 135.00 133.13 2wcx s PRO 350 Ca 0.63 0.45 -0.14 0.00 0.04 0.00 0.00 61.00 61.98 2wcx s PRO 350 Cb -0.16 -2.37 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 2wcx s PRO 350 CO 0.36 -0.09 1.52 0.78 0.04 0.00 0.00 177.00 179.61 2wcx h GLY 351 N 1.00 0.85 -5.82 0.56 0.00 -1.62 -3.40 103.07 94.64 2wcx h GLY 351 Ca -0.47 -0.73 -0.36 0.00 0.00 0.00 0.00 47.33 45.77 2wcx h GLY 351 CO 0.63 0.67 -0.76 0.99 0.00 0.00 0.00 176.54 178.07 2wcx s ASP 352 N -6.44 0.69 0.27 0.19 1.11 -1.26 -4.99 116.67 106.24 2wcx s ASP 352 Ca -0.12 -0.09 -0.30 0.00 0.18 0.00 0.00 52.55 52.21 2wcx s ASP 352 Cb 0.10 -0.22 -0.13 0.00 1.07 0.00 0.00 42.92 43.75 2wcx s ASP 352 CO 0.82 -0.00 1.46 -2.65 1.18 0.00 0.00 175.17 175.98 2wcx n PRO 353 N 3.51 2.27 -1.02 8.23 -0.02 -1.26 -4.82 135.00 141.89 2wcx n PRO 353 Ca -0.20 0.81 -0.32 0.00 -2.02 0.00 0.00 63.50 61.77 2wcx n PRO 353 Cb 0.54 -2.50 0.13 0.00 -0.02 0.00 0.00 33.50 31.65 2wcx n PRO 353 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2wcx s PRO 354 N -0.60 1.61 -0.03 0.52 0.04 -1.26 -5.04 135.00 130.23 2wcx s PRO 354 Ca 0.65 1.49 0.01 0.00 0.04 0.00 0.00 61.00 63.19 2wcx s PRO 354 Cb -0.59 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.17 2wcx s PRO 354 CO 0.51 -2.18 -0.06 -1.14 0.04 0.00 0.00 177.00 174.17 2wcx s GLN 355 N -4.56 0.81 0.24 4.56 2.00 -1.26 -4.94 119.66 116.51 2wcx s GLN 355 Ca 0.67 -0.17 -0.30 0.00 -2.00 0.00 0.00 55.36 53.56 2wcx s GLN 355 Cb -0.22 -0.79 -0.10 0.00 0.80 0.00 0.00 33.01 32.69 2wcx s GLN 355 CO 0.54 -0.01 1.46 -2.14 -0.50 0.00 0.00 175.29 174.65 2wcx s PRO 356 N 0.59 4.25 -0.01 1.67 0.02 -1.26 -4.60 135.00 135.67 2wcx s PRO 356 Ca -0.08 2.32 0.08 0.00 0.02 0.00 0.00 61.00 63.34 2wcx s PRO 356 Cb -0.12 -3.11 -0.02 0.00 0.02 0.00 0.00 34.50 31.28 2wcx s PRO 356 CO 0.00 -0.45 -0.25 -1.21 -0.33 0.00 0.00 177.00 174.77 2wcx s GLU 357 N -0.25 1.95 0.00 5.54 0.41 0.16 -4.96 118.70 121.55 2wcx s GLU 357 Ca 0.60 -0.90 0.12 0.00 -0.41 0.00 0.00 54.97 54.38 2wcx s GLU 357 Cb -0.42 -1.92 0.21 0.00 -1.78 0.00 0.00 34.13 30.22 2wcx s GLU 357 CO 0.42 0.52 1.06 0.66 -0.49 0.00 0.00 175.26 177.44 2wcx n TYR 358 N 2.38 0.23 -3.95 1.61 4.02 -1.26 -1.39 117.16 118.81 2wcx n TYR 358 Ca -0.16 -0.23 -0.29 0.00 -0.01 0.00 0.00 57.90 57.21 2wcx n TYR 358 Cb 0.52 -0.01 -0.16 0.00 -0.02 0.00 0.00 39.34 39.66 2wcx n TYR 358 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2wcx s ASP 359 N -1.01 3.08 0.39 7.72 -1.08 -1.26 -4.98 116.67 119.54 2wcx s ASP 359 Ca 0.19 -0.75 0.13 0.00 -0.52 0.00 0.00 52.55 51.60 2wcx s ASP 359 Cb 0.12 -1.09 0.95 0.00 -1.46 0.00 0.00 42.92 41.43 2wcx s ASP 359 CO 0.16 -0.15 1.86 0.25 0.52 0.00 0.00 175.17 177.81 2wcx h LEU 360 N 8.04 0.53 -2.39 -1.34 6.46 -1.96 -1.35 115.31 123.31 2wcx h LEU 360 Ca -0.27 0.04 0.01 0.00 -0.12 0.00 0.00 57.88 57.54 2wcx h LEU 360 Cb 1.11 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.98 2wcx h LEU 360 CO 0.45 0.24 0.04 -0.08 -0.62 0.00 0.00 178.44 178.47 2wcx h GLU 361 N 0.55 0.00 -0.09 1.25 4.81 -1.96 -2.48 114.58 116.66 2wcx h GLU 361 Ca 0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 2wcx h GLU 361 Cb 0.93 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.31 2wcx h GLU 361 CO -0.20 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 179.36 2wcx n LEU 362 N -3.90 1.51 -4.61 1.64 4.77 -0.51 -4.58 117.00 111.32 2wcx n LEU 362 Ca -0.02 -0.57 -0.40 0.00 -0.03 0.00 0.00 56.01 54.99 2wcx n LEU 362 Cb 0.13 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 2wcx n LEU 362 CO 0.28 0.29 0.22 -0.63 -1.33 0.00 0.00 177.39 176.21 2wcx s ILE 363 N -1.90 5.08 -0.16 -0.08 1.01 -0.93 -5.04 121.20 119.18 2wcx s ILE 363 Ca 0.35 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.77 2wcx s ILE 363 Cb 0.19 -3.83 -0.00 0.00 0.01 0.00 0.00 42.46 38.83 2wcx s ILE 363 CO 0.30 0.06 -0.15 -0.89 0.00 0.00 0.00 174.94 174.25 2wcx s THR 364 N 2.29 2.62 -0.04 2.92 2.01 -1.26 -4.43 115.64 119.75 2wcx s THR 364 Ca 0.20 -0.78 -0.14 0.00 0.31 0.00 0.00 61.69 61.28 2wcx s THR 364 Cb -0.16 -2.11 0.03 0.00 0.01 0.00 0.00 72.50 70.27 2wcx s THR 364 CO 0.10 0.51 0.32 -0.55 -0.69 0.00 0.00 174.62 174.31 2wcx s SER 365 N 0.86 -0.23 -1.54 3.53 0.15 -0.54 -4.74 113.70 111.19 2wcx s SER 365 Ca -0.04 0.24 -0.14 0.00 0.70 0.00 0.00 55.95 56.70 2wcx s SER 365 Cb -0.15 0.41 0.10 0.00 -1.71 0.00 0.00 66.02 64.67 2wcx s SER 365 CO -0.01 -0.36 0.87 0.00 1.20 0.00 0.00 173.24 174.94 2wcx n SER 367 N -2.71 -4.77 -4.15 0.00 7.64 -1.26 -4.94 113.62 103.43 2wcx n SER 367 Ca 0.04 0.45 -0.10 0.00 1.01 0.00 0.00 58.87 60.27 2wcx n SER 367 Cb 0.52 -4.28 -0.10 0.00 -1.01 0.00 0.00 64.21 59.34 2wcx n SER 367 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2wcx s SER 368 N -2.54 0.25 0.04 6.43 1.04 -0.19 -4.38 113.70 114.35 2wcx s SER 368 Ca 0.00 -1.23 -0.11 0.00 0.48 0.00 0.00 55.95 55.08 2wcx s SER 368 Cb 0.00 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.46 2wcx s SER 368 CO 0.00 -0.77 0.25 0.54 0.98 0.00 0.00 173.24 174.23 2wcx s ASN 369 N -3.07 -0.04 0.19 7.02 4.22 -0.01 -1.47 114.94 121.77 2wcx s ASN 369 Ca 0.28 -0.29 -0.30 0.00 -2.14 0.00 0.00 52.86 50.41 2wcx s ASN 369 Cb 0.07 0.32 -0.08 0.00 1.28 0.00 0.00 41.25 42.85 2wcx s ASN 369 CO 0.05 -0.59 1.04 -0.69 -2.04 0.00 0.00 177.10 174.87 2wcx s VAL 370 N -2.57 4.01 0.33 3.54 1.01 -1.26 -0.64 120.40 124.81 2wcx s VAL 370 Ca -0.05 1.80 0.05 0.00 0.00 0.00 0.00 61.98 63.78 2wcx s VAL 370 Cb -0.01 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 2wcx s VAL 370 CO -0.04 0.34 0.22 -0.55 0.00 0.00 0.00 175.10 175.08 2wcx s SER 371 N -0.38 1.69 0.04 3.32 0.15 0.10 -4.29 113.70 114.33 2wcx s SER 371 Ca 0.47 -1.69 0.05 0.00 0.70 0.00 0.00 55.95 55.48 2wcx s SER 371 Cb -0.28 0.51 -0.02 0.00 -1.71 0.00 0.00 66.02 64.53 2wcx s SER 371 CO 0.34 -1.00 -0.14 0.68 1.20 0.00 0.00 173.24 174.32 2wcx s VAL 372 N -3.50 1.13 0.00 4.45 -7.23 -1.26 -0.66 120.40 113.32 2wcx s VAL 372 Ca 0.37 -0.98 0.00 0.00 -1.81 0.00 0.00 61.98 59.56 2wcx s VAL 372 Cb 0.03 -1.01 0.00 0.00 0.56 0.00 0.00 36.38 35.96 2wcx s VAL 372 CO 0.23 0.03 0.00 0.00 -0.31 0.00 0.00 175.10 175.04 2wcx n ALA 373 N 1.94 0.00 -2.61 1.32 0.00 -0.23 -3.04 120.51 117.90 2wcx n ALA 373 Ca -0.18 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.03 2wcx n ALA 373 Cb 0.55 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.84 2wcx n ALA 373 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2wcx s HIS 374 N -1.95 1.35 0.44 0.00 3.76 0.90 -0.93 115.29 118.86 2wcx s HIS 374 Ca 0.00 -0.27 -0.06 0.00 -0.15 0.00 0.00 55.06 54.58 2wcx s HIS 374 Cb 0.00 -0.88 0.10 0.00 1.11 0.00 0.00 32.58 32.91 2wcx s HIS 374 CO 0.00 -0.04 0.60 -0.40 -0.85 0.00 0.00 174.74 174.05 2wcx n ASP 375 N 2.78 0.17 -0.31 1.40 5.68 -0.02 -0.08 116.55 126.18 2wcx n ASP 375 Ca -0.15 -1.29 0.00 0.00 -0.50 0.00 0.00 54.79 52.85 2wcx n ASP 375 Cb 0.55 -0.45 0.19 0.00 -1.14 0.00 0.00 41.12 40.26 2wcx n ASP 375 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wcx h ALA 376 N -1.62 1.40 0.00 2.12 0.00 -1.90 -0.27 119.26 118.99 2wcx h ALA 376 Ca -0.20 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2wcx h ALA 376 Cb 0.57 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2wcx h ALA 376 CO 0.15 0.54 0.00 -1.13 0.00 0.00 0.00 179.25 178.81 2wcx n SER 377 N -4.42 0.00 0.00 0.00 3.41 -1.26 -4.84 113.62 106.51 2wcx n SER 377 Ca 0.11 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 2wcx n SER 377 Cb 0.06 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 2wcx n SER 377 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wcx n GLY 378 N 0.36 0.61 3.76 5.00 0.00 -0.11 -5.04 105.19 109.77 2wcx n GLY 378 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2wcx n GLY 378 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wcx s LYS 379 N -0.79 4.54 0.19 1.61 2.20 -1.26 -4.68 119.74 121.54 2wcx s LYS 379 Ca 0.00 1.94 -0.30 0.00 -0.36 0.00 0.00 55.97 57.25 2wcx s LYS 379 Cb 0.00 -3.16 -0.09 0.00 -1.51 0.00 0.00 37.83 33.08 2wcx s LYS 379 CO 0.00 0.06 1.34 1.03 -0.36 0.00 0.00 175.35 177.43 2wcx s ARG 380 N -1.46 4.36 -0.08 4.03 0.52 -1.26 -0.84 118.95 124.21 2wcx s ARG 380 Ca 0.46 2.09 0.01 0.00 -0.52 0.00 0.00 55.73 57.77 2wcx s ARG 380 Cb -0.35 -3.20 0.02 0.00 0.52 0.00 0.00 34.95 31.95 2wcx s ARG 380 CO 0.44 -0.31 -0.09 0.08 0.02 0.00 0.00 175.30 175.45 2wcx s VAL 381 N 0.33 0.97 0.17 3.52 1.01 -0.10 -4.89 120.40 121.41 2wcx s VAL 381 Ca 0.59 -0.32 -0.10 0.00 0.00 0.00 0.00 61.98 62.15 2wcx s VAL 381 Cb -0.37 -0.96 -0.07 0.00 0.00 0.00 0.00 36.38 34.98 2wcx s VAL 381 CO 0.37 0.34 0.49 -0.31 0.00 0.00 0.00 175.10 175.99 2wcx s TYR 382 N 1.23 3.51 0.19 5.22 1.51 -1.26 -1.07 117.35 126.67 2wcx s TYR 382 Ca -0.04 0.85 -0.17 0.00 -1.01 0.00 0.00 57.07 56.70 2wcx s TYR 382 Cb -0.14 -2.23 0.03 0.00 -0.11 0.00 0.00 41.96 39.51 2wcx s TYR 382 CO -0.03 0.38 0.49 1.52 -1.11 0.00 0.00 175.55 176.81 2wcx s TYR 383 N -1.63 -0.09 -0.18 2.71 -0.85 0.16 -4.96 117.35 112.50 2wcx s TYR 383 Ca 0.41 -0.25 -0.15 0.00 -0.52 0.00 0.00 57.07 56.57 2wcx s TYR 383 Cb -0.13 0.35 -0.04 0.00 0.38 0.00 0.00 41.96 42.52 2wcx s TYR 383 CO 0.21 -0.88 0.34 -1.17 -1.52 0.00 0.00 175.55 172.53 2wcx s LEU 384 N -2.87 4.19 0.00 -3.49 2.96 -1.26 0.02 118.68 118.22 2wcx s LEU 384 Ca 0.09 0.49 0.01 0.00 -0.22 0.00 0.00 54.13 54.50 2wcx s LEU 384 Cb -0.00 -2.43 -0.00 0.00 0.50 0.00 0.00 46.19 44.25 2wcx s LEU 384 CO -0.04 0.01 0.04 1.07 -1.32 0.00 0.00 176.35 176.11 2wcx n THR 385 N 4.01 0.00 -3.79 3.68 5.66 0.19 -4.75 114.28 119.28 2wcx n THR 385 Ca -0.10 -0.93 -0.07 0.00 -3.05 0.00 0.00 64.05 59.90 2wcx n THR 385 Cb 0.51 0.30 -0.02 0.00 -1.55 0.00 0.00 70.33 69.58 2wcx n THR 385 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wcx s ARG 386 N -2.63 1.59 0.14 1.09 1.70 -1.26 -0.83 118.95 118.75 2wcx s ARG 386 Ca 0.06 -0.86 -0.31 0.00 -0.47 0.00 0.00 55.73 54.15 2wcx s ARG 386 Cb 0.00 0.56 -0.09 0.00 -0.57 0.00 0.00 34.95 34.85 2wcx s ARG 386 CO 0.04 -0.73 1.54 0.34 -1.08 0.00 0.00 175.30 175.41 2wcx s ASP 387 N -2.90 6.65 0.00 -2.89 -1.08 -1.26 -4.89 116.67 110.29 2wcx s ASP 387 Ca 0.10 2.52 0.30 0.00 -0.52 0.00 0.00 52.55 54.96 2wcx s ASP 387 Cb -0.04 -2.59 1.51 0.00 -1.46 0.00 0.00 42.92 40.33 2wcx s ASP 387 CO 0.04 -0.79 2.00 -0.81 0.52 0.00 0.00 175.17 176.13 2wcx n PRO 388 N 4.21 1.24 0.08 4.34 -0.04 -1.26 -4.40 135.00 139.17 2wcx n PRO 388 Ca 0.14 -0.41 -0.12 0.00 -0.04 0.00 0.00 63.50 63.07 2wcx n PRO 388 Cb 0.40 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.31 2wcx n PRO 388 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2wcx h THR 389 N 0.99 0.57 -0.15 0.52 2.02 -1.95 -0.28 112.91 114.63 2wcx h THR 389 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2wcx h THR 389 Cb 0.23 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 2wcx h THR 389 CO 0.00 0.00 0.05 0.74 0.37 0.00 0.00 175.52 176.68 2wcx h THR 390 N -0.33 1.18 -0.79 3.16 2.02 -1.98 -0.75 112.91 115.41 2wcx h THR 390 Ca 0.04 -0.55 0.12 0.00 0.77 0.00 0.00 66.41 66.79 2wcx h THR 390 Cb 0.38 1.26 -0.08 0.00 -1.74 0.00 0.00 68.15 67.96 2wcx h THR 390 CO -0.14 0.17 0.41 -0.65 0.37 0.00 0.00 175.52 175.68 2wcx h PRO 391 N 0.07 0.62 -0.26 6.66 0.11 -1.81 0.77 132.00 138.17 2wcx h PRO 391 Ca 0.05 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.10 2wcx h PRO 391 Cb 0.22 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 2wcx h PRO 391 CO -0.00 0.41 0.06 -0.07 -0.21 0.00 0.00 178.00 178.19 2wcx h LEU 392 N 0.64 0.40 -0.68 2.35 3.38 -0.70 -0.58 115.31 120.12 2wcx h LEU 392 Ca 0.41 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 58.18 2wcx h LEU 392 Cb 0.50 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 2wcx h LEU 392 CO -0.31 0.53 0.42 0.00 0.09 0.00 0.00 178.44 179.17 2wcx h ALA 393 N 0.88 0.90 -0.37 1.53 0.00 -0.78 0.16 119.26 121.58 2wcx h ALA 393 Ca 0.08 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2wcx h ALA 393 Cb 0.29 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2wcx h ALA 393 CO 0.00 0.17 -0.26 0.00 0.00 0.00 0.00 179.25 179.16 2wcx h ARG 394 N 0.81 0.76 -0.63 0.00 3.08 -0.67 -0.67 114.38 117.06 2wcx h ARG 394 Ca 0.28 -0.33 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 2wcx h ARG 394 Cb 0.05 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 2wcx h ARG 394 CO -0.12 0.94 0.12 0.00 -1.07 0.00 0.00 179.97 179.83 2wcx h ALA 395 N 1.05 0.84 0.52 0.04 0.00 -0.57 -1.97 119.26 119.16 2wcx h ALA 395 Ca 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2wcx h ALA 395 Cb 0.78 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2wcx h ALA 395 CO 0.06 0.58 -0.33 0.00 0.00 0.00 0.00 179.25 179.56 2wcx h ALA 396 N 1.04 -0.83 -0.88 0.00 0.00 -0.21 -1.49 119.26 116.89 2wcx h ALA 396 Ca 0.19 -0.16 0.22 0.00 0.00 0.00 0.00 54.91 55.16 2wcx h ALA 396 Cb 0.41 0.42 -0.16 0.00 0.00 0.00 0.00 17.79 18.46 2wcx h ALA 396 CO 0.01 -0.98 0.01 2.35 0.00 0.00 0.00 179.25 180.64 2wcx h TRP 397 N -0.81 -0.06 0.00 0.00 2.91 -1.09 -1.00 115.95 115.89 2wcx h TRP 397 Ca -0.06 0.06 0.00 0.00 1.13 0.00 0.00 58.89 60.03 2wcx h TRP 397 Cb 0.67 0.17 0.00 0.00 -0.51 0.00 0.00 29.16 29.49 2wcx h TRP 397 CO -0.11 -0.33 0.00 0.39 -1.03 0.00 0.00 178.44 177.36 2wcx n GLU 398 N -5.42 0.08 0.10 2.65 1.02 -0.74 -0.71 120.64 117.62 2wcx n GLU 398 Ca 0.18 0.22 -0.03 0.00 -0.02 0.00 0.00 57.16 57.51 2wcx n GLU 398 Cb 0.60 -1.63 0.02 0.00 -0.02 0.00 0.00 31.44 30.42 2wcx n GLU 398 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2wcx h THR 399 N 0.00 1.47 0.00 2.62 2.02 -0.14 -3.38 112.91 115.49 2wcx h THR 399 Ca 0.00 -2.74 -0.32 0.00 0.77 0.00 0.00 66.41 64.12 2wcx h THR 399 Cb 0.40 2.51 -0.06 0.00 -1.74 0.00 0.00 68.15 69.26 2wcx h THR 399 CO 0.00 0.76 -2.20 0.00 0.37 0.00 0.00 175.52 174.45 2wcx n ALA 400 N -2.35 1.56 -2.00 6.16 0.00 -0.55 -4.95 120.51 118.38 2wcx n ALA 400 Ca -0.00 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.34 2wcx n ALA 400 Cb 0.78 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.14 2wcx n ALA 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wcx n ARG 401 N -2.76 0.00 0.00 0.00 5.12 0.11 -5.14 116.66 114.00 2wcx n ARG 401 Ca -0.31 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.61 2wcx n ARG 401 Cb 1.03 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.33 2wcx n ARG 401 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 2wcx n HIS 402 N 0.00 0.00 -3.29 -1.55 -0.00 -1.26 -4.95 115.22 104.17 2wcx n HIS 402 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2wcx n HIS 402 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2wcx n HIS 402 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 2wcx n THR 403 N -2.00 0.00 0.04 0.61 -2.24 -1.26 -5.06 114.28 104.37 2wcx n THR 403 Ca 0.00 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 2wcx n THR 403 Cb 0.00 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.09 2wcx n THR 403 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2wcx h PRO 404 N 0.00 0.23 0.00 -0.78 0.13 -2.03 -3.40 132.00 126.15 2wcx h PRO 404 Ca 0.00 -0.39 -0.19 0.00 -0.87 0.00 0.00 66.00 64.55 2wcx h PRO 404 Cb 0.00 0.15 -0.03 0.00 0.13 0.00 0.00 31.00 31.25 2wcx h PRO 404 CO 0.00 1.06 -0.91 0.28 -0.23 0.00 0.00 178.00 178.21 2wcx h VAL 405 N 0.06 1.60 -6.30 1.56 2.07 -1.95 -3.35 116.25 109.94 2wcx h VAL 405 Ca -0.30 -3.16 -0.38 0.00 0.82 0.00 0.00 66.70 63.68 2wcx h VAL 405 Cb 2.03 2.73 0.03 0.00 -1.52 0.00 0.00 31.29 34.55 2wcx h VAL 405 CO 0.13 0.89 -0.80 0.59 0.02 0.00 0.00 177.57 178.40 2wcx n ASN 406 N -3.38 -5.58 0.19 0.57 3.02 -1.25 -1.32 115.26 107.50 2wcx n ASN 406 Ca 0.00 -0.82 0.16 0.00 -0.03 0.00 0.00 54.58 53.89 2wcx n ASN 406 Cb 0.88 -3.00 0.79 0.00 -0.61 0.00 0.00 39.78 37.85 2wcx n ASN 406 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2wcx h SER 407 N -0.87 0.00 -0.44 6.41 4.64 -1.92 -2.12 113.55 119.26 2wcx h SER 407 Ca -0.52 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.81 2wcx h SER 407 Cb 1.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.37 2wcx h SER 407 CO 0.40 0.00 0.28 4.11 -0.87 0.00 0.00 176.83 180.76 2wcx h TRP 408 N 0.00 0.53 -0.24 4.77 5.08 -1.87 0.97 115.95 125.19 2wcx h TRP 408 Ca 0.09 0.01 -0.13 0.00 1.08 0.00 0.00 58.89 59.94 2wcx h TRP 408 Cb 0.46 -0.18 -0.00 0.00 -3.00 0.00 0.00 29.16 26.44 2wcx h TRP 408 CO 0.00 0.33 -0.36 1.25 -1.28 0.00 0.00 178.44 178.38 2wcx h LEU 409 N 0.57 0.73 -0.57 0.11 5.85 -1.74 -1.04 115.31 119.23 2wcx h LEU 409 Ca 0.17 -0.52 0.04 0.00 0.84 0.00 0.00 57.88 58.42 2wcx h LEU 409 Cb -0.04 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 2wcx h LEU 409 CO -0.05 1.11 0.31 1.23 -0.34 0.00 0.00 178.44 180.70 2wcx h GLY 410 N 0.38 0.82 1.01 3.75 0.00 -1.10 -1.39 103.07 106.54 2wcx h GLY 410 Ca 0.02 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 2wcx h GLY 410 CO 0.08 0.15 0.14 3.43 0.00 0.00 0.00 176.54 180.35 2wcx h ASN 411 N 0.60 0.89 -0.97 0.19 2.35 -0.72 0.03 115.58 117.96 2wcx h ASN 411 Ca 0.25 -0.23 0.09 0.00 -0.55 0.00 0.00 56.30 55.85 2wcx h ASN 411 Cb 0.12 -0.24 -0.07 0.00 0.05 0.00 0.00 38.32 38.19 2wcx h ASN 411 CO -0.15 0.90 0.62 0.40 -1.65 0.00 0.00 177.43 177.55 2wcx h ILE 412 N 0.85 1.01 0.09 2.81 2.04 -0.91 0.22 117.51 123.62 2wcx h ILE 412 Ca 0.18 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 2wcx h ILE 412 Cb 0.35 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 2wcx h ILE 412 CO 0.00 0.19 -0.04 0.40 0.00 0.00 0.00 178.15 178.70 2wcx h ILE 413 N 1.04 1.06 -0.17 -0.67 2.04 -0.95 -2.16 117.51 117.70 2wcx h ILE 413 Ca 0.44 -1.40 -0.07 0.00 1.00 0.00 0.00 64.86 64.83 2wcx h ILE 413 Cb 0.32 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 2wcx h ILE 413 CO -0.20 0.30 -0.21 0.24 0.00 0.00 0.00 178.15 178.28 2wcx h MET 414 N -0.86 0.30 -0.17 2.37 2.86 -0.95 -3.11 114.93 115.37 2wcx h MET 414 Ca -0.01 -0.09 -0.08 0.00 -2.06 0.00 0.00 59.70 57.46 2wcx h MET 414 Cb 0.58 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.17 2wcx h MET 414 CO 0.02 0.50 -0.23 0.66 1.06 0.00 0.00 176.91 178.93 2wcx n TYR 415 N -4.18 0.55 -0.34 -0.22 4.02 0.76 -4.80 117.16 112.95 2wcx n TYR 415 Ca -0.01 -1.45 0.18 0.00 -0.01 0.00 0.00 57.90 56.62 2wcx n TYR 415 Cb 0.34 -0.35 0.40 0.00 -0.02 0.00 0.00 39.34 39.71 2wcx n TYR 415 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wcx h ALA 416 N 0.95 1.77 0.00 -0.72 0.00 -1.31 0.81 119.26 120.76 2wcx h ALA 416 Ca 0.10 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2wcx h ALA 416 Cb 1.32 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2wcx h ALA 416 CO 0.19 -0.36 0.00 -2.30 0.00 0.00 0.00 179.25 176.77 2wcx n PRO 417 N -4.96 0.25 -2.39 0.00 -0.02 -1.26 -4.48 135.00 122.13 2wcx n PRO 417 Ca 0.27 0.06 -0.33 0.00 -2.02 0.00 0.00 63.50 61.48 2wcx n PRO 417 Cb 0.79 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.75 2wcx n PRO 417 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2wcx s THR 418 N -2.71 4.17 0.20 3.45 -4.23 0.28 -4.95 115.64 111.85 2wcx s THR 418 Ca 0.20 1.14 -0.11 0.00 -1.18 0.00 0.00 61.69 61.75 2wcx s THR 418 Cb 0.17 -3.56 0.14 0.00 1.34 0.00 0.00 72.50 70.59 2wcx s THR 418 CO 0.41 -0.50 1.84 0.25 -0.54 0.00 0.00 174.62 176.08 2wcx h LEU 419 N 1.06 0.87 -0.35 4.79 6.46 -1.89 -2.53 115.31 123.71 2wcx h LEU 419 Ca -0.48 -0.07 -0.19 0.00 -0.12 0.00 0.00 57.88 57.02 2wcx h LEU 419 Cb 1.20 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 40.91 2wcx h LEU 419 CO 0.60 0.68 -0.69 4.11 -0.62 0.00 0.00 178.44 182.52 2wcx h TRP 420 N 0.98 0.77 -0.60 1.25 5.08 -1.92 0.13 115.95 121.64 2wcx h TRP 420 Ca 0.26 -0.32 -0.10 0.00 1.08 0.00 0.00 58.89 59.81 2wcx h TRP 420 Cb -0.02 -0.13 -0.02 0.00 -3.00 0.00 0.00 29.16 25.99 2wcx h TRP 420 CO -0.01 1.10 -0.00 0.00 -1.28 0.00 0.00 178.44 178.24 2wcx h ALA 421 N 0.82 0.86 -0.08 0.11 0.00 -1.78 -0.95 119.26 118.24 2wcx h ALA 421 Ca -0.03 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 2wcx h ALA 421 Cb 1.28 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2wcx h ALA 421 CO 0.13 0.67 -0.24 0.00 0.00 0.00 0.00 179.25 179.81 2wcx h ARG 422 N 0.96 0.31 0.12 0.00 3.08 -1.38 0.20 114.38 117.66 2wcx h ARG 422 Ca 0.17 -0.22 -0.31 0.00 0.07 0.00 0.00 59.98 59.70 2wcx h ARG 422 Cb 0.56 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 2wcx h ARG 422 CO 0.03 0.84 -1.53 0.52 -1.07 0.00 0.00 179.97 178.75 2wcx h MET 423 N -0.17 0.25 0.00 0.04 2.86 -1.01 -3.33 114.93 113.57 2wcx h MET 423 Ca -0.01 -0.42 -0.02 0.00 -2.06 0.00 0.00 59.70 57.20 2wcx h MET 423 Cb 0.85 0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.67 2wcx h MET 423 CO 0.05 1.11 -0.82 -0.89 1.06 0.00 0.00 176.91 177.42 2wcx n ILE 424 N -3.45 1.42 -0.13 -1.22 5.41 -0.41 -4.24 119.36 116.75 2wcx n ILE 424 Ca -0.16 0.18 -0.09 0.00 1.00 0.00 0.00 62.75 63.68 2wcx n ILE 424 Cb 1.04 -2.14 -0.01 0.00 -0.71 0.00 0.00 39.64 37.82 2wcx n ILE 424 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2wcx h LEU 425 N -0.75 0.52 -0.28 1.39 3.38 -1.28 0.33 115.31 118.63 2wcx h LEU 425 Ca -0.03 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 2wcx h LEU 425 Cb 0.78 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2wcx h LEU 425 CO -0.02 0.53 0.04 0.24 0.09 0.00 0.00 178.44 179.33 2wcx h MET 426 N 0.48 0.47 0.30 1.13 2.86 -0.75 -2.00 114.93 117.42 2wcx h MET 426 Ca 0.13 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2wcx h MET 426 Cb 0.17 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 2wcx h MET 426 CO -0.01 0.58 -0.31 1.15 1.06 0.00 0.00 176.91 179.38 2wcx h THR 427 N 0.28 0.36 -0.83 2.22 2.02 -1.63 -2.12 112.91 113.21 2wcx h THR 427 Ca 0.08 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 2wcx h THR 427 Cb 0.34 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 2wcx h THR 427 CO 0.01 0.00 0.41 -0.74 0.37 0.00 0.00 175.52 175.57 2wcx h HIS 428 N -0.64 1.17 -0.15 3.16 6.17 -0.87 -1.23 115.15 122.76 2wcx h HIS 428 Ca -0.01 -0.05 -0.18 0.00 0.71 0.00 0.00 60.37 60.84 2wcx h HIS 428 Cb 0.59 -0.37 -0.00 0.00 2.52 0.00 0.00 27.41 30.15 2wcx h HIS 428 CO -0.19 0.83 -0.66 0.74 0.71 0.00 0.00 177.93 179.37 2wcx h PHE 429 N 1.17 0.74 -0.05 5.26 -1.00 -1.28 -1.65 116.94 120.14 2wcx h PHE 429 Ca 0.29 -0.30 -0.11 0.00 2.81 0.00 0.00 57.97 60.65 2wcx h PHE 429 Cb 0.09 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.51 2wcx h PHE 429 CO 0.01 1.06 -0.50 0.74 -1.61 0.00 0.00 178.31 178.02 2wcx h PHE 430 N 0.41 0.15 -0.32 -0.55 -1.00 -1.36 0.06 116.94 114.32 2wcx h PHE 430 Ca -0.02 -0.05 -0.00 0.00 2.81 0.00 0.00 57.97 60.71 2wcx h PHE 430 Cb 1.23 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 40.75 2wcx h PHE 430 CO 0.05 0.59 0.19 1.03 -1.61 0.00 0.00 178.31 178.57 2wcx h SER 431 N 0.10 0.40 -0.20 2.17 0.87 -0.98 0.15 113.55 116.05 2wcx h SER 431 Ca 0.00 -0.07 -0.15 0.00 -1.23 0.00 0.00 61.79 60.35 2wcx h SER 431 Cb 0.91 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 2wcx h SER 431 CO 0.07 0.35 -0.40 0.40 -0.53 0.00 0.00 176.83 176.72 2wcx h ILE 432 N 0.41 1.29 -0.45 2.23 2.04 -0.93 -1.97 117.51 120.13 2wcx h ILE 432 Ca 0.12 -1.57 -0.11 0.00 1.00 0.00 0.00 64.86 64.29 2wcx h ILE 432 Cb 0.03 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 2wcx h ILE 432 CO -0.02 0.51 -0.16 -0.07 0.00 0.00 0.00 178.15 178.41 2wcx h LEU 433 N 0.61 0.86 -0.43 1.44 3.38 -0.74 -1.88 115.31 118.54 2wcx h LEU 433 Ca 0.05 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 2wcx h LEU 433 Cb 0.95 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 2wcx h LEU 433 CO 0.09 1.01 0.00 -0.07 0.09 0.00 0.00 178.44 179.56 2wcx h LEU 434 N 0.76 0.74 -1.27 1.67 3.38 -0.88 -0.01 115.31 119.69 2wcx h LEU 434 Ca 0.12 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 2wcx h LEU 434 Cb 0.68 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2wcx h LEU 434 CO 0.05 0.87 -0.34 0.00 0.09 0.00 0.00 178.44 179.11 2wcx h ALA 435 N 0.90 1.40 -0.03 1.53 0.00 -1.19 -2.86 119.26 119.01 2wcx h ALA 435 Ca 0.12 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2wcx h ALA 435 Cb 0.49 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2wcx h ALA 435 CO 0.02 0.44 -0.00 1.04 0.00 0.00 0.00 179.25 180.75 2wcx n GLN 436 N -4.13 2.09 -2.26 0.00 6.02 -0.72 -4.96 117.38 113.42 2wcx n GLN 436 Ca -0.02 -1.82 -0.17 0.00 -0.01 0.00 0.00 57.00 54.98 2wcx n GLN 436 Cb 0.39 -1.43 -0.01 0.00 1.02 0.00 0.00 30.24 30.20 2wcx n GLN 436 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2wcx n GLU 437 N 1.24 -1.35 -1.07 -1.09 1.02 -0.16 -4.93 120.64 114.30 2wcx n GLU 437 Ca 0.13 0.85 -0.14 0.00 -0.02 0.00 0.00 57.16 57.98 2wcx n GLU 437 Cb 0.56 -5.29 0.17 0.00 -0.02 0.00 0.00 31.44 26.86 2wcx n GLU 437 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2wcx n GLN 438 N -2.63 2.14 0.23 3.49 6.02 -0.38 -4.61 117.38 121.65 2wcx n GLN 438 Ca -0.20 -3.21 0.07 0.00 -0.01 0.00 0.00 57.00 53.65 2wcx n GLN 438 Cb 0.65 -2.00 0.61 0.00 1.02 0.00 0.00 30.24 30.51 2wcx n GLN 438 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2wcx h LEU 439 N 1.16 0.04 -1.84 1.08 5.85 -1.92 -2.46 115.31 117.22 2wcx h LEU 439 Ca 0.39 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.11 2wcx h LEU 439 Cb 1.95 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.97 2wcx h LEU 439 CO 0.74 0.05 -0.01 -0.62 -0.34 0.00 0.00 178.44 178.26 2wcx n GLU 440 N -4.51 2.26 -3.15 1.25 1.02 -1.26 -3.95 120.64 112.30 2wcx n GLU 440 Ca -0.02 -1.84 -0.40 0.00 -0.02 0.00 0.00 57.16 54.87 2wcx n GLU 440 Cb 0.11 -1.46 -0.06 0.00 -0.02 0.00 0.00 31.44 30.00 2wcx n GLU 440 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2wcx s LYS 441 N -2.01 4.16 0.50 3.49 2.20 -0.93 -4.92 119.74 122.22 2wcx s LYS 441 Ca 0.28 0.53 -0.22 0.00 -0.36 0.00 0.00 55.97 56.20 2wcx s LYS 441 Cb 0.20 -3.61 -0.06 0.00 -1.51 0.00 0.00 37.83 32.85 2wcx s LYS 441 CO 0.31 -0.30 1.25 0.00 -0.36 0.00 0.00 175.35 176.24 2wcx s ALA 442 N 2.13 2.90 -0.01 3.13 0.00 -1.26 -4.55 121.76 124.10 2wcx s ALA 442 Ca 0.26 1.10 0.06 0.00 0.00 0.00 0.00 51.96 53.38 2wcx s ALA 442 Cb -0.16 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.49 2wcx s ALA 442 CO 0.09 -0.97 -0.18 -0.51 0.00 0.00 0.00 175.76 174.19 2wcx s LEU 443 N -3.26 2.03 0.17 0.00 1.43 0.90 -4.86 118.68 115.09 2wcx s LEU 443 Ca 0.67 -0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 53.14 2wcx s LEU 443 Cb -0.34 -0.95 -0.07 0.00 0.03 0.00 0.00 46.19 44.86 2wcx s LEU 443 CO 0.40 0.23 1.11 -1.81 0.23 0.00 0.00 176.35 176.50 2wcx s ASP 444 N -0.42 7.25 -0.09 2.29 1.11 -1.26 -0.65 116.67 124.90 2wcx s ASP 444 Ca 0.07 2.08 -0.04 0.00 0.18 0.00 0.00 52.55 54.84 2wcx s ASP 444 Cb -0.07 -2.60 0.05 0.00 1.07 0.00 0.00 42.92 41.36 2wcx s ASP 444 CO -0.01 -0.25 0.18 0.00 1.18 0.00 0.00 175.17 176.28 2wcx s GLN 446 N 1.80 3.88 -0.01 0.00 2.00 -0.44 -0.94 119.66 125.96 2wcx s GLN 446 Ca -0.03 -0.08 -0.03 0.00 -2.00 0.00 0.00 55.36 53.23 2wcx s GLN 446 Cb -0.12 -3.70 -0.00 0.00 0.80 0.00 0.00 33.01 29.99 2wcx s GLN 446 CO -0.06 -0.37 0.05 0.42 -0.50 0.00 0.00 175.29 174.83 2wcx s ILE 447 N 2.10 0.05 -1.65 -2.34 1.01 -0.07 -4.85 121.20 115.45 2wcx s ILE 447 Ca 0.15 -0.44 -0.15 0.00 0.00 0.00 0.00 60.65 60.21 2wcx s ILE 447 Cb -0.16 -0.22 0.15 0.00 0.01 0.00 0.00 42.46 42.23 2wcx s ILE 447 CO 0.11 -0.24 0.37 -1.22 0.00 0.00 0.00 174.94 173.95 2wcx n TYR 448 N 2.24 -1.11 -0.89 3.97 4.01 -1.26 -1.03 117.16 123.09 2wcx n TYR 448 Ca -0.18 0.61 0.00 0.00 -0.16 0.00 0.00 57.90 58.17 2wcx n TYR 448 Cb 0.57 -2.02 0.00 0.00 -0.31 0.00 0.00 39.34 37.58 2wcx n TYR 448 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wcx n GLY 449 N -1.52 1.06 3.45 2.72 0.00 -1.26 -5.00 105.19 104.65 2wcx n GLY 449 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 2wcx n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wcx s ALA 450 N -3.72 2.60 -0.37 4.61 0.00 -0.20 -5.09 121.76 119.59 2wcx s ALA 450 Ca 0.00 -1.54 -0.14 0.00 0.00 0.00 0.00 51.96 50.28 2wcx s ALA 450 Cb 0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 23.12 22.66 2wcx s ALA 450 CO 0.00 0.48 0.30 0.00 0.00 0.00 0.00 175.76 176.54 2wcx s TYR 452 N 1.80 3.25 -0.50 0.00 1.51 -0.11 -4.92 117.35 118.38 2wcx s TYR 452 Ca 0.07 0.14 -0.14 0.00 -1.01 0.00 0.00 57.07 56.14 2wcx s TYR 452 Cb -0.18 -1.68 0.11 0.00 -0.11 0.00 0.00 41.96 40.10 2wcx s TYR 452 CO 0.11 0.54 0.42 0.45 -1.11 0.00 0.00 175.55 175.96 2wcx s SER 453 N -2.11 6.03 -0.15 2.29 0.15 -1.26 -0.60 113.70 118.05 2wcx s SER 453 Ca 0.27 -1.69 -0.05 0.00 0.70 0.00 0.00 55.95 55.17 2wcx s SER 453 Cb -0.12 -2.14 -0.04 0.00 -1.71 0.00 0.00 66.02 62.01 2wcx s SER 453 CO 0.19 -0.75 0.03 -0.63 1.20 0.00 0.00 173.24 173.28 2wcx s ILE 454 N 1.54 4.53 -0.14 6.45 1.01 0.18 -4.79 121.20 129.98 2wcx s ILE 454 Ca 0.04 -0.14 -0.15 0.00 0.00 0.00 0.00 60.65 60.40 2wcx s ILE 454 Cb -0.27 -2.99 -0.05 0.00 0.01 0.00 0.00 42.46 39.16 2wcx s ILE 454 CO 0.03 0.51 0.36 -1.61 0.00 0.00 0.00 174.94 174.23 2wcx s GLU 455 N -0.02 4.26 0.42 2.79 2.02 -1.26 -0.07 118.70 126.84 2wcx s GLU 455 Ca 0.05 0.23 0.13 0.00 0.02 0.00 0.00 54.97 55.39 2wcx s GLU 455 Cb -0.12 -3.41 0.98 0.00 0.10 0.00 0.00 34.13 31.67 2wcx s GLU 455 CO 0.01 0.24 1.97 -1.35 0.02 0.00 0.00 175.26 176.15 2wcx h PRO 456 N 6.56 0.46 0.00 0.39 0.11 -1.80 0.14 132.00 137.86 2wcx h PRO 456 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2wcx h PRO 456 Cb 1.17 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2wcx h PRO 456 CO 0.75 0.30 0.00 1.28 -0.21 0.00 0.00 178.00 180.12 2wcx n LEU 457 N -4.48 0.21 -0.14 2.35 4.77 -1.25 -1.92 117.00 116.54 2wcx n LEU 457 Ca 0.11 0.55 0.14 0.00 -0.03 0.00 0.00 56.01 56.78 2wcx n LEU 457 Cb 0.37 -0.52 0.66 0.00 -2.33 0.00 0.00 43.42 41.60 2wcx n LEU 457 CO 0.34 -0.34 0.92 0.47 -1.33 0.00 0.00 177.39 177.44 2wcx n ASP 458 N -1.73 0.52 -0.31 -1.43 10.43 0.50 -4.42 116.55 120.12 2wcx n ASP 458 Ca 0.03 -0.76 -0.05 0.00 2.57 0.00 0.00 54.79 56.58 2wcx n ASP 458 Cb 0.19 -0.06 0.07 0.00 1.84 0.00 0.00 41.12 43.17 2wcx n ASP 458 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 2wcx h LEU 459 N 0.70 1.04 -0.76 0.64 3.38 -1.50 -2.30 115.31 116.51 2wcx h LEU 459 Ca 0.00 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 57.94 2wcx h LEU 459 Cb 0.31 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 2wcx h LEU 459 CO 0.00 0.85 0.43 -0.65 0.09 0.00 0.00 178.44 179.16 2wcx h PRO 460 N 1.16 0.73 -0.34 1.13 0.11 -1.84 0.70 132.00 133.66 2wcx h PRO 460 Ca 0.29 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.30 2wcx h PRO 460 Cb 0.05 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 2wcx h PRO 460 CO -0.05 0.48 -0.03 1.96 -0.21 0.00 0.00 178.00 180.16 2wcx h GLN 461 N 0.75 0.62 -0.27 1.05 7.50 -1.80 -1.39 115.11 121.57 2wcx h GLN 461 Ca 0.35 -0.21 0.02 0.00 0.50 0.00 0.00 58.65 59.31 2wcx h GLN 461 Cb 0.27 -0.05 -0.02 0.00 0.05 0.00 0.00 27.48 27.73 2wcx h GLN 461 CO -0.21 0.76 0.14 0.82 -1.50 0.00 0.00 178.83 178.83 2wcx h ILE 462 N 0.41 1.00 -0.57 2.54 2.04 -0.97 -1.25 117.51 120.72 2wcx h ILE 462 Ca 0.09 -0.10 -0.10 0.00 1.00 0.00 0.00 64.86 65.75 2wcx h ILE 462 Cb 0.50 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 2wcx h ILE 462 CO 0.02 0.05 -0.05 0.40 0.00 0.00 0.00 178.15 178.57 2wcx h ILE 463 N 0.29 1.27 -0.61 -0.67 2.04 -0.79 -1.41 117.51 117.63 2wcx h ILE 463 Ca 0.11 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 2wcx h ILE 463 Cb 0.02 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 2wcx h ILE 463 CO -0.07 0.43 0.34 -0.08 0.00 0.00 0.00 178.15 178.77 2wcx h GLU 464 N 0.93 0.85 -0.49 2.37 4.81 -1.06 0.31 114.58 122.29 2wcx h GLU 464 Ca 0.16 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 2wcx h GLU 464 Cb 0.61 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 2wcx h GLU 464 CO 0.04 0.64 -0.01 -0.09 -0.73 0.00 0.00 179.01 178.86 2wcx h ARG 465 N 0.83 0.87 0.08 1.92 2.43 -1.02 0.21 114.38 119.70 2wcx h ARG 465 Ca 0.22 -0.28 -0.26 0.00 -0.81 0.00 0.00 59.98 58.85 2wcx h ARG 465 Cb 0.04 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2wcx h ARG 465 CO -0.04 0.91 -1.23 1.25 -1.51 0.00 0.00 179.97 179.36 2wcx h LEU 466 N 0.72 0.28 0.00 3.80 5.85 -0.77 -3.39 115.31 121.80 2wcx h LEU 466 Ca 0.14 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2wcx h LEU 466 Cb 0.52 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2wcx h LEU 466 CO 0.03 1.25 -0.25 1.41 -0.34 0.00 0.00 178.44 180.53 2wcx n HIS 467 N -3.45 0.00 0.00 1.25 8.25 0.10 -4.74 115.22 116.64 2wcx n HIS 467 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2wcx n HIS 467 Cb 1.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.11 2wcx n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wcx n GLY 468 N 1.17 -0.08 0.31 -1.41 0.00 0.74 -4.48 105.19 101.44 2wcx n GLY 468 Ca 0.00 -1.67 0.18 0.00 0.00 0.00 0.00 46.02 44.53 2wcx n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wcx h LEU 469 N 0.00 0.00 -1.33 0.99 3.38 -1.89 -2.08 115.31 114.39 2wcx h LEU 469 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wcx h LEU 469 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wcx h LEU 469 CO 0.00 0.01 0.00 0.77 0.09 0.00 0.00 178.44 179.31 2wcx h SER 470 N 0.00 0.00 0.30 -0.43 4.64 -1.96 -1.89 113.55 114.21 2wcx h SER 470 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wcx h SER 470 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2wcx h SER 470 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2wcx h ALA 471 N 2.10 1.00 -0.04 5.18 0.00 -1.60 -0.76 119.26 125.15 2wcx h ALA 471 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wcx h ALA 471 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2wcx h ALA 471 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 2wcx n PHE 472 N -2.75 0.01 -0.42 0.00 0.99 -0.71 -4.41 117.46 110.18 2wcx n PHE 472 Ca -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 2wcx n PHE 472 Cb 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.61 2wcx n PHE 472 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 2wcx n SER 473 N 1.21 0.81 -4.76 4.37 7.64 -0.34 -4.48 113.62 118.07 2wcx n SER 473 Ca 0.15 -1.23 -0.41 0.00 1.01 0.00 0.00 58.87 58.39 2wcx n SER 473 Cb 0.57 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.74 2wcx n SER 473 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2wcx s LEU 474 N -0.23 4.48 0.00 -3.43 1.43 -0.92 -3.96 118.68 116.04 2wcx s LEU 474 Ca 0.00 2.51 -0.01 0.00 -1.03 0.00 0.00 54.13 55.60 2wcx s LEU 474 Cb 0.00 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.59 2wcx s LEU 474 CO 0.00 -0.38 0.21 0.00 0.23 0.00 0.00 176.35 176.41 2wcx n HIS 475 N 1.03 -0.89 -3.80 0.29 1.44 0.89 -4.94 115.22 109.23 2wcx n HIS 475 Ca -0.00 -0.94 -0.33 0.00 -2.01 0.00 0.00 57.72 54.44 2wcx n HIS 475 Cb 0.43 0.23 0.03 0.00 0.12 0.00 0.00 29.99 30.80 2wcx n HIS 475 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2wcx n SER 476 N -1.88 -3.99 -4.72 4.39 7.64 -1.26 -0.07 113.62 113.73 2wcx n SER 476 Ca 0.00 -1.06 -0.31 0.00 1.01 0.00 0.00 58.87 58.51 2wcx n SER 476 Cb 0.24 -3.04 0.13 0.00 -1.01 0.00 0.00 64.21 60.53 2wcx n SER 476 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2wcx s TYR 477 N -3.59 2.05 0.48 1.43 1.51 -1.26 -4.03 117.35 113.94 2wcx s TYR 477 Ca 0.37 1.68 -0.22 0.00 -1.01 0.00 0.00 57.07 57.90 2wcx s TYR 477 Cb -0.15 -3.23 -0.07 0.00 -0.11 0.00 0.00 41.96 38.40 2wcx s TYR 477 CO 0.89 -2.37 1.11 -1.54 -1.11 0.00 0.00 175.55 172.53 2wcx s SER 478 N -2.91 6.17 0.19 2.29 1.04 -1.17 -4.89 113.70 114.42 2wcx s SER 478 Ca 0.65 2.16 -0.12 0.00 0.48 0.00 0.00 55.95 59.12 2wcx s SER 478 Cb -0.21 -2.59 0.11 0.00 0.10 0.00 0.00 66.02 63.44 2wcx s SER 478 CO 0.56 -0.91 1.85 -0.65 0.98 0.00 0.00 173.24 175.07 2wcx h PRO 479 N 1.78 0.86 -0.75 4.02 0.11 -1.94 -1.23 132.00 134.85 2wcx h PRO 479 Ca -0.49 -0.06 0.06 0.00 0.11 0.00 0.00 66.00 65.62 2wcx h PRO 479 Cb 1.24 -0.19 -0.06 0.00 0.11 0.00 0.00 31.00 32.10 2wcx h PRO 479 CO 0.59 0.58 0.43 0.78 -0.21 0.00 0.00 178.00 180.17 2wcx h GLY 480 N 0.88 1.11 1.17 -0.55 0.00 -1.99 -0.05 103.07 103.64 2wcx h GLY 480 Ca 0.24 -0.31 -0.19 0.00 0.00 0.00 0.00 47.33 47.07 2wcx h GLY 480 CO -0.05 0.19 -0.59 -2.09 0.00 0.00 0.00 176.54 174.00 2wcx h GLU 481 N 0.79 0.86 -0.62 4.80 4.57 -1.76 -1.33 114.58 121.89 2wcx h GLU 481 Ca 0.33 -0.57 -0.00 0.00 -1.18 0.00 0.00 59.36 57.94 2wcx h GLU 481 Cb 0.20 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 2wcx h GLU 481 CO -0.19 1.20 0.37 0.82 -1.18 0.00 0.00 179.01 180.04 2wcx h ILE 482 N 0.65 1.18 -0.17 2.32 2.04 -0.82 -1.95 117.51 120.76 2wcx h ILE 482 Ca 0.00 -0.41 -0.11 0.00 1.00 0.00 0.00 64.86 65.34 2wcx h ILE 482 Cb 1.20 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 2wcx h ILE 482 CO 0.13 0.19 -0.39 0.78 0.00 0.00 0.00 178.15 178.86 2wcx h ASN 483 N 0.84 0.39 -0.33 1.72 2.35 -0.91 -0.66 115.58 118.98 2wcx h ASN 483 Ca 0.22 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 2wcx h ASN 483 Cb -0.02 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2wcx h ASN 483 CO -0.04 0.74 0.15 -0.09 -1.65 0.00 0.00 177.43 176.54 2wcx h ARG 484 N 0.31 0.48 0.03 0.81 2.43 -1.00 0.78 114.38 118.23 2wcx h ARG 484 Ca 0.03 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2wcx h ARG 484 Cb 0.83 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 2wcx h ARG 484 CO 0.07 0.46 -0.02 0.28 -1.51 0.00 0.00 179.97 179.25 2wcx h VAL 485 N 0.39 1.01 -0.69 0.20 2.07 -0.88 -0.99 116.25 117.36 2wcx h VAL 485 Ca 0.11 -0.13 0.08 0.00 0.82 0.00 0.00 66.70 67.58 2wcx h VAL 485 Cb 0.15 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 2wcx h VAL 485 CO -0.01 0.03 0.35 0.00 0.02 0.00 0.00 177.57 177.97 2wcx h ALA 486 N 0.86 0.93 -0.61 1.67 0.00 -0.99 -1.13 119.26 120.01 2wcx h ALA 486 Ca -0.00 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2wcx h ALA 486 Cb 0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2wcx h ALA 486 CO 0.01 -0.02 0.28 0.77 0.00 0.00 0.00 179.25 180.29 2wcx h SER 487 N 0.62 0.81 -0.50 0.00 0.02 -0.65 -1.94 113.55 111.91 2wcx h SER 487 Ca 0.33 -0.14 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 2wcx h SER 487 Cb 0.30 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 2wcx h SER 487 CO -0.24 0.72 -0.13 0.00 -1.14 0.00 0.00 176.83 176.04 2wcx h LEU 489 N 0.84 0.55 0.19 0.00 3.38 -1.03 -1.37 115.31 117.87 2wcx h LEU 489 Ca 0.13 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2wcx h LEU 489 Cb 0.70 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2wcx h LEU 489 CO 0.05 0.39 -0.11 -0.09 0.09 0.00 0.00 178.44 178.77 2wcx h ARG 490 N 0.66 -0.28 -0.78 1.13 2.43 -1.19 -0.45 114.38 115.90 2wcx h ARG 490 Ca 0.21 0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.53 2wcx h ARG 490 Cb -0.01 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.55 2wcx h ARG 490 CO -0.08 -0.19 0.51 -0.22 -1.51 0.00 0.00 179.97 178.48 2wcx h LYS 491 N -0.29 0.52 -0.01 0.20 3.64 -0.82 -2.63 116.57 117.17 2wcx h LYS 491 Ca -0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2wcx h LYS 491 Cb 0.24 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2wcx h LYS 491 CO 0.02 0.34 -0.32 1.28 -2.27 0.00 0.00 179.45 178.50 2wcx n LEU 492 N -4.50 1.75 -1.27 5.20 4.77 -0.53 -4.94 117.00 117.47 2wcx n LEU 492 Ca 0.14 -0.60 -0.13 0.00 -0.03 0.00 0.00 56.01 55.39 2wcx n LEU 492 Cb 0.46 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 2wcx n LEU 492 CO 0.32 0.32 -0.15 0.61 -1.33 0.00 0.00 177.39 177.16 2wcx n GLY 493 N 1.37 0.54 3.88 -0.72 0.00 -0.42 -5.03 105.19 104.81 2wcx n GLY 493 Ca 0.11 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 2wcx n GLY 493 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wcx s VAL 494 N -2.58 4.93 0.65 1.61 -7.23 -0.31 -5.03 120.40 112.43 2wcx s VAL 494 Ca 0.00 0.38 -0.18 0.00 -1.81 0.00 0.00 61.98 60.37 2wcx s VAL 494 Cb 0.00 -3.67 -0.02 0.00 0.56 0.00 0.00 36.38 33.25 2wcx s VAL 494 CO 0.00 -0.22 1.14 -2.65 -0.31 0.00 0.00 175.10 173.06 2wcx n PRO 495 N -0.57 0.93 -1.41 4.82 -0.02 -1.26 -4.48 135.00 133.00 2wcx n PRO 495 Ca 0.00 0.37 -0.29 0.00 -2.02 0.00 0.00 63.50 61.56 2wcx n PRO 495 Cb 0.53 -2.37 0.16 0.00 -0.02 0.00 0.00 33.50 31.80 2wcx n PRO 495 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2wcx s PRO 496 N -3.19 0.61 0.31 0.52 0.04 -1.26 -4.82 135.00 127.21 2wcx s PRO 496 Ca 0.79 0.24 0.01 0.00 0.04 0.00 0.00 61.00 62.09 2wcx s PRO 496 Cb -0.38 -1.78 0.56 0.00 0.04 0.00 0.00 34.50 32.93 2wcx s PRO 496 CO 0.44 -2.55 1.93 -0.07 0.04 0.00 0.00 177.00 176.79 2wcx h LEU 497 N -1.75 0.86 -1.35 -3.56 3.38 -1.96 -0.52 115.31 110.41 2wcx h LEU 497 Ca -0.51 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.56 2wcx h LEU 497 Cb 1.32 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 2wcx h LEU 497 CO 0.56 0.57 0.51 0.08 0.09 0.00 0.00 178.44 180.25 2wcx h ARG 498 N 0.99 0.71 -0.37 1.13 0.11 -2.00 -1.25 114.38 113.70 2wcx h ARG 498 Ca 0.36 -0.04 -0.10 0.00 0.10 0.00 0.00 59.98 60.30 2wcx h ARG 498 Cb 0.16 -0.16 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 2wcx h ARG 498 CO -0.13 0.47 -0.16 0.28 0.10 0.00 0.00 179.97 180.53 2wcx h VAL 499 N 0.73 1.28 -0.90 0.08 2.07 -1.44 -2.45 116.25 115.63 2wcx h VAL 499 Ca 0.36 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 2wcx h VAL 499 Cb 0.43 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 2wcx h VAL 499 CO -0.14 0.42 0.53 -0.50 0.02 0.00 0.00 177.57 177.90 2wcx h TRP 500 N 0.55 1.20 -0.59 1.57 4.06 -1.19 -0.29 115.95 121.27 2wcx h TRP 500 Ca 0.08 -0.01 0.01 0.00 2.06 0.00 0.00 58.89 61.04 2wcx h TRP 500 Cb 0.70 -0.39 -0.03 0.00 -1.00 0.00 0.00 29.16 28.44 2wcx h TRP 500 CO 0.06 0.81 0.38 -0.09 -3.56 0.00 0.00 178.44 176.03 2wcx h ARG 501 N 1.24 0.74 -0.11 0.49 2.43 -1.09 0.57 114.38 118.66 2wcx h ARG 501 Ca 0.32 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 2wcx h ARG 501 Cb -0.03 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 2wcx h ARG 501 CO -0.06 0.49 0.07 1.25 -1.51 0.00 0.00 179.97 180.21 2wcx h HIS 502 N 0.76 0.14 -0.72 2.20 2.76 -0.90 -1.44 115.15 117.95 2wcx h HIS 502 Ca 0.22 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.41 2wcx h HIS 502 Cb -0.05 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 28.82 2wcx h HIS 502 CO -0.04 0.11 0.47 0.00 -1.30 0.00 0.00 177.93 177.16 2wcx h ARG 503 N 0.13 0.90 -0.80 5.26 3.08 -0.94 -1.66 114.38 120.35 2wcx h ARG 503 Ca 0.04 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 2wcx h ARG 503 Cb 0.01 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.82 2wcx h ARG 503 CO -0.01 0.60 0.31 0.00 -1.07 0.00 0.00 179.97 179.80 2wcx h ALA 504 N 1.29 1.05 -0.91 0.04 0.00 -0.42 0.05 119.26 120.35 2wcx h ALA 504 Ca 0.28 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2wcx h ALA 504 Cb -0.05 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.39 2wcx h ALA 504 CO -0.08 0.67 0.55 0.00 0.00 0.00 0.00 179.25 180.39 2wcx h ARG 505 N 1.16 1.24 -0.21 0.00 3.08 -0.34 0.26 114.38 119.57 2wcx h ARG 505 Ca 0.26 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 2wcx h ARG 505 Cb 0.23 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2wcx h ARG 505 CO -0.02 0.87 0.01 1.03 -1.07 0.00 0.00 179.97 180.78 2wcx h SER 506 N 1.26 0.36 -0.60 7.04 0.87 -0.94 -2.35 113.55 119.19 2wcx h SER 506 Ca 0.33 -0.30 0.05 0.00 -1.23 0.00 0.00 61.79 60.63 2wcx h SER 506 Cb -0.06 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 61.76 2wcx h SER 506 CO -0.06 0.57 0.34 0.58 -0.53 0.00 0.00 176.83 177.73 2wcx h VAL 507 N 0.14 0.99 -0.69 2.23 2.07 -0.39 -1.52 116.25 119.09 2wcx h VAL 507 Ca 0.06 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2wcx h VAL 507 Cb 0.38 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 2wcx h VAL 507 CO 0.01 0.12 0.37 -0.09 0.02 0.00 0.00 177.57 178.00 2wcx h ARG 508 N 0.64 0.97 -0.22 1.57 2.43 -0.40 -1.63 114.38 117.75 2wcx h ARG 508 Ca 0.26 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2wcx h ARG 508 Cb 0.12 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2wcx h ARG 508 CO -0.15 0.74 0.10 0.00 -1.51 0.00 0.00 179.97 179.14 2wcx h ALA 509 N 1.18 0.28 -0.95 2.80 0.00 -1.01 -0.03 119.26 121.53 2wcx h ALA 509 Ca 0.24 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.13 2wcx h ALA 509 Cb 0.05 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 2wcx h ALA 509 CO -0.04 -0.14 0.60 0.00 0.00 0.00 0.00 179.25 179.67 2wcx h ARG 510 N 0.21 1.04 -0.25 0.00 3.08 -1.16 -0.22 114.38 117.09 2wcx h ARG 510 Ca 0.07 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 2wcx h ARG 510 Cb 0.14 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 2wcx h ARG 510 CO -0.01 0.69 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.37 2wcx h LEU 511 N 1.07 0.55 -1.37 3.04 3.38 -0.86 -2.89 115.31 118.24 2wcx h LEU 511 Ca 0.42 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wcx h LEU 511 Cb 0.22 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2wcx h LEU 511 CO -0.19 0.85 0.36 0.25 0.09 0.00 0.00 178.44 179.80 2wcx h LEU 512 N 0.25 0.69 -1.50 1.67 5.85 -0.73 -0.93 115.31 120.61 2wcx h LEU 512 Ca 0.05 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 2wcx h LEU 512 Cb 0.65 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2wcx h LEU 512 CO 0.04 0.53 -0.23 0.28 -0.34 0.00 0.00 178.44 178.72 2wcx h SER 513 N 0.80 0.03 0.82 1.25 0.02 -0.92 -2.38 113.55 113.17 2wcx h SER 513 Ca 0.21 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2wcx h SER 513 Cb -0.04 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2wcx h SER 513 CO -0.04 0.26 -0.08 0.00 -1.14 0.00 0.00 176.83 175.83 2wcx n GLN 514 N -4.25 0.11 -0.20 3.45 6.02 -0.36 -5.04 117.38 117.10 2wcx n GLN 514 Ca -0.02 -0.02 0.03 0.00 -0.01 0.00 0.00 57.00 56.98 2wcx n GLN 514 Cb 0.29 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.05 2wcx n GLN 514 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wcx n GLY 515 N 1.46 -0.82 7.00 1.08 0.00 -0.90 -4.80 105.19 108.21 2wcx n GLY 515 Ca 0.08 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2wcx n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wcx n GLY 516 N -0.62 1.68 0.20 -0.02 0.00 -1.26 -2.26 105.19 102.91 2wcx n GLY 516 Ca 0.00 -0.61 0.07 0.00 0.00 0.00 0.00 46.02 45.48 2wcx n GLY 516 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wcx h ARG 517 N 0.00 0.00 -0.73 1.61 3.08 -1.96 -2.68 114.38 113.70 2wcx h ARG 517 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 2wcx h ARG 517 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 2wcx h ARG 517 CO 0.00 0.32 0.24 0.00 -1.07 0.00 0.00 179.97 179.47 2wcx h ALA 518 N 1.68 0.96 -0.28 0.04 0.00 -1.77 -1.07 119.26 118.82 2wcx h ALA 518 Ca -0.00 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 2wcx h ALA 518 Cb 0.88 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2wcx h ALA 518 CO 0.04 0.63 -0.35 0.00 0.00 0.00 0.00 179.25 179.58 2wcx h ALA 519 N 1.12 0.87 -0.94 0.00 0.00 -1.14 -1.92 119.26 117.24 2wcx h ALA 519 Ca 0.24 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2wcx h ALA 519 Cb 0.29 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2wcx h ALA 519 CO -0.01 0.63 0.62 1.15 0.00 0.00 0.00 179.25 181.64 2wcx h THR 520 N 0.51 1.24 -0.24 0.00 2.02 -1.12 -1.10 112.91 114.23 2wcx h THR 520 Ca 0.05 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 2wcx h THR 520 Cb 0.85 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 2wcx h THR 520 CO 0.07 0.24 0.11 0.00 0.37 0.00 0.00 175.52 176.30 2wcx h GLY 522 N 0.24 1.06 0.76 0.00 0.00 -1.03 0.21 103.07 104.31 2wcx h GLY 522 Ca 0.08 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 2wcx h GLY 522 CO -0.01 0.07 -0.05 1.70 0.00 0.00 0.00 176.54 178.25 2wcx h LYS 523 N 0.61 0.30 0.00 4.80 3.64 -0.87 -2.42 116.57 122.63 2wcx h LYS 523 Ca 0.34 -0.12 -0.09 0.00 -1.27 0.00 0.00 60.65 59.51 2wcx h LYS 523 Cb 0.35 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2wcx h LYS 523 CO -0.26 0.59 -0.59 1.88 -2.27 0.00 0.00 179.45 178.81 2wcx h TYR 524 N -0.01 0.00 0.00 1.91 -1.99 -1.09 -3.07 116.97 112.72 2wcx h TYR 524 Ca 0.04 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.71 2wcx h TYR 524 Cb 0.49 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.21 2wcx h TYR 524 CO 0.06 0.91 -0.27 -0.07 -0.00 0.00 0.00 178.16 178.78 2wcx h LEU 525 N -1.00 0.00 -2.91 3.88 3.38 -0.74 -3.28 115.31 114.64 2wcx h LEU 525 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2wcx h LEU 525 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2wcx h LEU 525 CO -0.09 0.27 -0.03 0.49 0.09 0.00 0.00 178.44 179.18 2wcx n PHE 526 N -3.89 0.00 -0.26 1.13 3.01 -0.91 -4.66 117.46 111.88 2wcx n PHE 526 Ca -0.02 -0.84 0.14 0.00 1.01 0.00 0.00 57.45 57.74 2wcx n PHE 526 Cb 0.35 -0.13 0.41 0.00 -0.01 0.00 0.00 39.48 40.11 2wcx n PHE 526 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 2wcx h ASN 527 N 0.00 0.58 0.49 4.37 -0.73 -1.58 -1.26 115.58 117.46 2wcx h ASN 527 Ca 0.00 0.04 -0.02 0.00 1.87 0.00 0.00 56.30 58.19 2wcx h ASN 527 Cb 0.95 -0.07 -0.00 0.00 0.27 0.00 0.00 38.32 39.46 2wcx h ASN 527 CO 0.00 0.28 -0.11 4.11 -0.37 0.00 0.00 177.43 181.34 2wcx h TRP 528 N 0.61 0.00 0.00 0.67 5.08 -1.83 -2.74 115.95 117.74 2wcx h TRP 528 Ca 0.45 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.41 2wcx h TRP 528 Cb 0.83 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.99 2wcx h TRP 528 CO -0.00 0.11 -0.38 0.00 -1.28 0.00 0.00 178.44 176.90 2wcx h ALA 529 N 1.89 0.82 -2.92 0.11 0.00 -1.58 -3.46 119.26 114.12 2wcx h ALA 529 Ca -0.00 -0.05 -0.53 0.00 0.00 0.00 0.00 54.91 54.33 2wcx h ALA 529 Cb 0.39 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.27 2wcx h ALA 529 CO 0.01 0.06 0.71 0.14 0.00 0.00 0.00 179.25 180.17 2wcx s VAL 530 N -3.24 2.34 -0.44 0.00 -7.23 -1.04 -4.80 120.40 106.00 2wcx s VAL 530 Ca 0.04 0.34 0.00 0.00 -1.81 0.00 0.00 61.98 60.56 2wcx s VAL 530 Cb 0.07 -3.22 0.00 0.00 0.56 0.00 0.00 36.38 33.79 2wcx s VAL 530 CO 0.72 0.08 0.11 0.29 -0.31 0.00 0.00 175.10 175.98