#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wcx s VAL 9 N 0.00 3.79 -0.31 0.00 1.01 -1.26 -4.75 120.40 118.88 1wcx s VAL 9 Ca 0.00 1.47 -0.15 0.00 0.00 0.00 0.00 61.98 63.30 1wcx s VAL 9 Cb 0.00 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1wcx s VAL 9 CO 0.00 0.21 0.36 -0.13 0.00 0.00 0.00 175.10 175.54 1wcx s ARG 10 N 0.00 3.77 -0.22 2.72 3.00 -1.26 -0.69 118.95 126.27 1wcx s ARG 10 Ca 0.53 -0.23 0.01 0.00 0.00 0.00 0.00 55.73 56.04 1wcx s ARG 10 Cb -0.31 -3.74 0.03 0.00 0.00 0.00 0.00 34.95 30.94 1wcx s ARG 10 CO 0.34 -0.41 -0.13 0.08 0.00 0.00 0.00 175.30 175.18 1wcx s VAL 11 N 2.04 2.37 0.29 3.52 1.01 -0.22 -0.62 120.40 128.80 1wcx s VAL 11 Ca 0.13 -1.12 -0.09 0.00 0.00 0.00 0.00 61.98 60.90 1wcx s VAL 11 Cb -0.16 -2.16 -0.07 0.00 0.00 0.00 0.00 36.38 33.99 1wcx s VAL 11 CO 0.11 0.30 0.62 0.00 0.00 0.00 0.00 175.10 176.13 1wcx s ALA 12 N 1.26 3.50 -0.13 5.51 0.00 0.38 -1.76 121.76 130.52 1wcx s ALA 12 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.68 1wcx s ALA 12 Cb -0.16 -2.50 0.02 0.00 0.00 0.00 0.00 23.12 20.48 1wcx s ALA 12 CO -0.08 0.31 -0.15 -0.47 0.00 0.00 0.00 175.76 175.36 1wcx s TYR 13 N -2.03 2.16 -2.50 0.00 6.14 0.72 -0.95 117.35 120.89 1wcx s TYR 13 Ca 0.48 -1.14 0.25 0.00 0.64 0.00 0.00 57.07 57.31 1wcx s TYR 13 Cb -0.11 -1.56 0.81 0.00 0.42 0.00 0.00 41.96 41.52 1wcx s TYR 13 CO 0.25 -0.60 1.60 0.00 0.64 0.00 0.00 175.55 177.44 1wcx n ALA 14 N 4.49 2.53 -1.93 3.97 0.00 -0.41 -0.96 120.51 128.21 1wcx n ALA 14 Ca -0.18 -0.54 -0.28 0.00 0.00 0.00 0.00 53.44 52.44 1wcx n ALA 14 Cb 0.51 -1.08 0.12 0.00 0.00 0.00 0.00 19.45 19.00 1wcx n ALA 14 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1wcx s GLY 15 N -1.84 1.70 0.03 0.00 0.00 -1.26 -2.97 107.32 102.99 1wcx s GLY 15 Ca 0.35 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 44.04 1wcx s GLY 15 CO 0.31 -0.44 0.00 -0.10 0.00 0.00 0.00 173.10 172.87 1wcx n LEU 16 N -3.36 0.25 0.22 0.66 7.94 -1.26 -4.22 117.00 117.23 1wcx n LEU 16 Ca 0.11 0.05 0.09 0.00 -1.11 0.00 0.00 56.01 55.15 1wcx n LEU 16 Cb 0.60 -0.06 0.50 0.00 0.53 0.00 0.00 43.42 44.99 1wcx n LEU 16 CO 0.50 -0.26 0.81 0.08 -1.11 0.00 0.00 177.39 177.42 1wcx h ARG 17 N 0.00 0.00 -0.10 1.96 0.11 -1.99 -3.23 114.38 111.13 1wcx h ARG 17 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 1wcx h ARG 17 Cb 0.63 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.69 1wcx h ARG 17 CO 0.00 0.25 -0.11 0.54 0.10 0.00 0.00 179.97 180.75 1wcx n ARG 18 N -3.59 1.76 -0.10 0.08 1.74 -1.26 -4.76 116.66 110.53 1wcx n ARG 18 Ca -0.01 -2.87 0.11 0.00 -0.77 0.00 0.00 57.85 54.32 1wcx n ARG 18 Cb 0.39 -1.64 0.47 0.00 -1.02 0.00 0.00 32.46 30.66 1wcx n ARG 18 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1wcx h LYS 19 N 0.71 0.46 -0.40 5.56 2.10 -1.84 -0.95 116.57 122.21 1wcx h LYS 19 Ca 0.03 -0.03 -0.13 0.00 -2.00 0.00 0.00 60.65 58.52 1wcx h LYS 19 Cb 1.18 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 32.40 1wcx h LYS 19 CO 0.10 0.31 -0.27 1.49 -2.00 0.00 0.00 179.45 179.07 1wcx h GLU 20 N 0.48 0.89 -0.08 0.07 4.81 -1.88 -1.93 114.58 116.95 1wcx h GLU 20 Ca 0.28 -0.42 -0.19 0.00 -0.13 0.00 0.00 59.36 58.90 1wcx h GLU 20 Cb 0.49 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1wcx h GLU 20 CO -0.08 1.07 -0.75 0.00 -0.73 0.00 0.00 179.01 178.52 1wcx h ALA 21 N 0.80 0.56 -0.36 2.92 0.00 -1.79 -2.59 119.26 118.79 1wcx h ALA 21 Ca 0.08 -0.62 0.04 0.00 0.00 0.00 0.00 54.91 54.42 1wcx h ALA 21 Cb 0.85 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1wcx h ALA 21 CO 0.07 0.76 0.13 0.35 0.00 0.00 0.00 179.25 180.56 1wcx h PHE 22 N 0.29 0.22 0.10 0.00 3.57 -1.06 -1.44 116.94 118.63 1wcx h PHE 22 Ca -0.04 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1wcx h PHE 22 Cb 1.33 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.03 1wcx h PHE 22 CO 0.05 0.09 -0.05 -0.22 -2.23 0.00 0.00 178.31 175.95 1wcx h LYS 23 N 0.28 -0.13 -0.30 1.11 3.64 -1.27 0.13 116.57 120.04 1wcx h LYS 23 Ca 0.17 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1wcx h LYS 23 Cb 0.14 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1wcx h LYS 23 CO -0.17 -0.07 0.15 0.00 -2.27 0.00 0.00 179.45 177.09 1wcx h ALA 24 N 0.75 0.36 0.01 5.00 0.00 -1.29 -0.99 119.26 123.09 1wcx h ALA 24 Ca -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wcx h ALA 24 Cb 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1wcx h ALA 24 CO 0.02 -0.24 -0.00 -0.07 0.00 0.00 0.00 179.25 178.96 1wcx h LEU 25 N 0.31 -0.01 -0.65 0.00 3.38 -1.11 -2.18 115.31 115.05 1wcx h LEU 25 Ca 0.12 -0.20 0.09 0.00 0.09 0.00 0.00 57.88 57.98 1wcx h LEU 25 Cb 0.04 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.72 1wcx h LEU 25 CO -0.08 0.20 0.29 0.00 0.09 0.00 0.00 178.44 178.93 1wcx h ALA 26 N 0.77 0.87 -0.39 1.53 0.00 -0.56 -1.27 119.26 120.21 1wcx h ALA 26 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wcx h ALA 26 Cb 0.21 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1wcx h ALA 26 CO 0.00 -0.13 0.24 0.93 0.00 0.00 0.00 179.25 180.30 1wcx h GLU 27 N 0.50 0.52 0.00 0.00 5.08 -1.07 0.02 114.58 119.62 1wcx h GLU 27 Ca 0.32 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 1wcx h GLU 27 Cb 0.37 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1wcx h GLU 27 CO -0.29 0.37 -0.08 0.87 -1.00 0.00 0.00 179.01 178.88 1wcx h LYS 28 N 0.51 0.00 -0.15 2.33 1.57 -0.84 -1.82 116.57 118.18 1wcx h LYS 28 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1wcx h LYS 28 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1wcx h LYS 28 CO -0.03 0.08 0.00 1.28 -0.57 0.00 0.00 179.45 180.22 1wcx n LEU 29 N -4.03 1.69 0.00 2.94 4.77 -0.53 -4.92 117.00 116.91 1wcx n LEU 29 Ca -0.03 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 1wcx n LEU 29 Cb 0.17 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1wcx n LEU 29 CO 0.32 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 1wcx n GLY 30 N 1.14 0.55 3.84 -0.72 0.00 -0.68 -5.06 105.19 104.25 1wcx n GLY 30 Ca 0.17 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 1wcx n GLY 30 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wcx s PHE 31 N -2.00 3.18 -0.44 1.61 2.99 -0.07 -4.30 117.98 118.95 1wcx s PHE 31 Ca 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 56.93 56.72 1wcx s PHE 31 Cb 0.00 -1.46 0.05 0.00 0.00 0.00 0.00 43.02 41.60 1wcx s PHE 31 CO 0.00 0.51 0.34 0.99 -0.00 0.00 0.00 175.22 177.07 1wcx s THR 32 N -1.99 5.23 0.27 0.64 2.01 0.14 -3.91 115.64 118.02 1wcx s THR 32 Ca 0.32 -0.86 -0.29 0.00 0.31 0.00 0.00 61.69 61.17 1wcx s THR 32 Cb -0.09 -4.01 -0.09 0.00 0.01 0.00 0.00 72.50 68.32 1wcx s THR 32 CO 0.25 -0.44 0.99 -2.16 -0.69 0.00 0.00 174.62 172.57 1wcx s PRO 33 N 1.66 4.75 -0.05 4.92 0.04 -1.26 -1.05 135.00 144.00 1wcx s PRO 33 Ca 0.04 1.56 0.01 0.00 0.04 0.00 0.00 61.00 62.65 1wcx s PRO 33 Cb -0.22 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.17 1wcx s PRO 33 CO 0.08 0.39 -0.05 -0.51 0.04 0.00 0.00 177.00 176.95 1wcx s LEU 34 N -1.40 1.28 -0.35 -3.56 1.43 -0.72 -4.92 118.68 110.43 1wcx s LEU 34 Ca 0.44 -0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 53.28 1wcx s LEU 34 Cb -0.27 -0.48 0.01 0.00 0.03 0.00 0.00 46.19 45.48 1wcx s LEU 34 CO 0.33 -0.06 0.21 -0.76 0.23 0.00 0.00 176.35 176.30 1wcx s LEU 35 N 1.01 4.56 -0.52 1.79 1.43 -1.26 -0.20 118.68 125.49 1wcx s LEU 35 Ca -0.09 -0.76 0.06 0.00 -1.03 0.00 0.00 54.13 52.31 1wcx s LEU 35 Cb -0.14 -2.05 0.22 0.00 0.03 0.00 0.00 46.19 44.25 1wcx s LEU 35 CO -0.00 -0.31 0.55 0.49 0.23 0.00 0.00 176.35 177.30 1wcx n PHE 36 N 5.03 1.28 -1.77 0.29 3.01 -0.14 -4.94 117.46 120.23 1wcx n PHE 36 Ca -0.12 -3.81 -0.39 0.00 1.01 0.00 0.00 57.45 54.14 1wcx n PHE 36 Cb 0.48 -0.34 0.04 0.00 -0.01 0.00 0.00 39.48 39.65 1wcx n PHE 36 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1wcx s PRO 37 N -1.37 3.25 0.00 -1.08 0.04 -1.25 -4.23 135.00 130.36 1wcx s PRO 37 Ca 0.34 2.30 0.05 0.00 0.04 0.00 0.00 61.00 63.73 1wcx s PRO 37 Cb 0.11 -2.35 0.04 0.00 0.04 0.00 0.00 34.50 32.34 1wcx s PRO 37 CO -0.11 -1.13 0.68 1.33 0.04 0.00 0.00 177.00 177.82 1wcx n VAL 38 N -0.85 0.08 -4.31 -0.36 0.24 -1.16 -4.36 118.33 107.62 1wcx n VAL 38 Ca 0.09 -0.54 -0.20 0.00 -2.04 0.00 0.00 64.34 61.65 1wcx n VAL 38 Cb 0.44 1.05 -0.11 0.00 -1.47 0.00 0.00 33.84 33.75 1wcx n VAL 38 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wcx s GLN 39 N -0.43 1.20 -0.09 7.34 -2.07 -1.26 -0.94 119.66 123.40 1wcx s GLN 39 Ca 0.06 -1.37 0.03 0.00 -1.82 0.00 0.00 55.36 52.26 1wcx s GLN 39 Cb 0.04 -1.18 0.00 0.00 -1.09 0.00 0.00 33.01 30.78 1wcx s GLN 39 CO 0.06 0.23 -0.20 0.00 -1.32 0.00 0.00 175.29 174.06 1wcx s ALA 40 N -2.15 1.90 -0.02 2.60 0.00 0.22 -4.62 121.76 119.68 1wcx s ALA 40 Ca 0.14 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.33 1wcx s ALA 40 Cb -0.05 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.31 1wcx s ALA 40 CO 0.05 0.20 -0.15 0.95 0.00 0.00 0.00 175.76 176.82 1wcx s THR 41 N 0.49 1.17 -0.01 0.00 -4.23 -1.26 -0.15 115.64 111.65 1wcx s THR 41 Ca -0.16 -0.62 -0.13 0.00 -1.18 0.00 0.00 61.69 59.60 1wcx s THR 41 Cb -0.17 -0.99 0.02 0.00 1.34 0.00 0.00 72.50 72.70 1wcx s THR 41 CO 0.06 0.34 0.27 -1.83 -0.54 0.00 0.00 174.62 172.92 1wcx s GLU 42 N -0.24 0.62 0.16 3.99 -1.05 -0.54 -5.00 118.70 116.65 1wcx s GLU 42 Ca 0.03 -0.23 -0.30 0.00 -0.15 0.00 0.00 54.97 54.32 1wcx s GLU 42 Cb -0.07 0.27 -0.07 0.00 -0.44 0.00 0.00 34.13 33.82 1wcx s GLU 42 CO -0.00 -0.17 1.07 0.15 0.95 0.00 0.00 175.26 177.26 1wcx s LYS 43 N -1.33 4.62 -0.03 -4.83 3.01 -1.26 -0.45 119.74 119.48 1wcx s LYS 43 Ca -0.14 1.66 -0.24 0.00 -1.01 0.00 0.00 55.97 56.24 1wcx s LYS 43 Cb -0.06 -3.30 -0.04 0.00 -1.01 0.00 0.00 37.83 33.42 1wcx s LYS 43 CO 0.04 0.11 0.73 0.08 0.51 0.00 0.00 175.35 176.81 1wcx s VAL 44 N -0.18 4.94 0.16 3.17 1.01 -0.18 -4.89 120.40 124.43 1wcx s VAL 44 Ca 0.49 1.52 -0.32 0.00 0.00 0.00 0.00 61.98 63.67 1wcx s VAL 44 Cb -0.28 -4.07 -0.12 0.00 0.00 0.00 0.00 36.38 31.91 1wcx s VAL 44 CO 0.34 0.29 1.75 -2.65 0.00 0.00 0.00 175.10 174.82 1wcx n PRO 45 N 3.44 2.68 -0.30 2.72 -0.02 -1.26 -4.85 135.00 137.41 1wcx n PRO 45 Ca -0.01 0.97 0.13 0.00 -2.02 0.00 0.00 63.50 62.57 1wcx n PRO 45 Cb 0.51 -2.82 0.30 0.00 -0.02 0.00 0.00 33.50 31.47 1wcx n PRO 45 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1wcx h VAL 46 N 4.12 0.38 0.00 -1.45 2.07 -1.94 0.19 116.25 119.62 1wcx h VAL 46 Ca -0.45 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1wcx h VAL 46 Cb 1.22 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1wcx h VAL 46 CO 0.94 0.05 -0.04 1.55 0.02 0.00 0.00 177.57 180.10 1wcx h PRO 47 N 0.28 0.00 0.00 1.57 0.13 -2.00 -1.54 132.00 130.44 1wcx h PRO 47 Ca 0.56 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.66 1wcx h PRO 47 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1wcx h PRO 47 CO -0.60 0.04 -0.13 0.93 -0.23 0.00 0.00 178.00 178.01 1wcx h GLU 48 N 0.00 0.00 0.00 0.86 5.08 -0.97 -3.06 114.58 116.49 1wcx h GLU 48 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1wcx h GLU 48 Cb 0.22 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.35 1wcx h GLU 48 CO 0.00 0.13 -0.58 2.48 -1.00 0.00 0.00 179.01 180.04 1wcx n TYR 49 N -3.54 0.00 0.25 4.33 4.11 -0.80 -4.78 117.16 116.73 1wcx n TYR 49 Ca -0.01 -0.71 0.09 0.00 -0.00 0.00 0.00 57.90 57.27 1wcx n TYR 49 Cb 0.27 -0.15 0.65 0.00 -0.00 0.00 0.00 39.34 40.11 1wcx n TYR 49 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.86 176.93 1wcx h ARG 50 N 0.56 0.00 -0.83 -3.48 0.11 -1.20 -1.02 114.38 108.52 1wcx h ARG 50 Ca -0.07 0.00 0.02 0.00 0.10 0.00 0.00 59.98 60.03 1wcx h ARG 50 Cb 1.39 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.42 1wcx h ARG 50 CO 0.03 0.00 0.54 0.38 0.10 0.00 0.00 179.97 181.02 1wcx h ASP 51 N 0.00 0.91 -0.10 0.08 2.03 -1.86 -0.49 116.42 116.98 1wcx h ASP 51 Ca 0.01 -0.01 -0.18 0.00 -0.73 0.00 0.00 57.03 56.12 1wcx h ASP 51 Cb 0.06 -0.21 -0.00 0.00 -0.83 0.00 0.00 39.33 38.34 1wcx h ASP 51 CO -0.00 0.64 -0.60 1.56 -1.03 0.00 0.00 179.24 179.81 1wcx h GLN 52 N 1.08 0.71 -0.59 4.15 7.50 -1.53 -2.46 115.11 123.97 1wcx h GLN 52 Ca 0.32 -0.48 -0.10 0.00 0.50 0.00 0.00 58.65 58.89 1wcx h GLN 52 Cb -0.05 0.07 -0.02 0.00 0.05 0.00 0.00 27.48 27.53 1wcx h GLN 52 CO -0.09 1.10 -0.03 0.28 -1.50 0.00 0.00 178.83 178.59 1wcx h VAL 53 N 0.53 1.27 -0.33 -0.54 2.07 -1.20 -1.36 116.25 116.69 1wcx h VAL 53 Ca -0.00 -1.19 -0.05 0.00 0.82 0.00 0.00 66.70 66.28 1wcx h VAL 53 Cb 1.19 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1wcx h VAL 53 CO 0.12 0.43 -0.01 0.03 0.02 0.00 0.00 177.57 178.16 1wcx h ARG 54 N 0.96 0.52 -0.31 1.57 3.08 -1.04 -0.87 114.38 118.29 1wcx h ARG 54 Ca 0.16 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 1wcx h ARG 54 Cb 0.59 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1wcx h ARG 54 CO 0.04 0.55 -0.13 0.00 -1.07 0.00 0.00 179.97 179.36 1wcx h ALA 55 N 1.50 0.43 -0.72 0.04 0.00 -0.94 -2.59 119.26 116.98 1wcx h ALA 55 Ca 0.11 -0.32 0.09 0.00 0.00 0.00 0.00 54.91 54.78 1wcx h ALA 55 Cb 0.34 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1wcx h ALA 55 CO 0.01 0.31 0.37 1.25 0.00 0.00 0.00 179.25 181.20 1wcx h LEU 56 N 0.39 0.50 -2.55 0.00 5.85 -0.86 0.99 115.31 119.64 1wcx h LEU 56 Ca 0.07 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1wcx h LEU 56 Cb 0.65 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1wcx h LEU 56 CO 0.04 0.29 0.00 0.00 -0.34 0.00 0.00 178.44 178.44 1wcx h ALA 57 N 1.42 1.00 0.00 1.25 0.00 -0.88 -0.08 119.26 121.96 1wcx h ALA 57 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1wcx h ALA 57 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1wcx h ALA 57 CO -0.25 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.04 1wcx n GLN 58 N -3.08 0.15 0.00 0.00 1.13 0.34 -4.85 117.38 111.07 1wcx n GLN 58 Ca -0.02 0.20 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 1wcx n GLN 58 Cb 0.14 -1.70 0.00 0.00 0.11 0.00 0.00 30.24 28.79 1wcx n GLN 58 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wcx n GLY 59 N 0.97 2.77 3.07 1.08 0.00 -0.04 -5.10 105.19 107.94 1wcx n GLY 59 Ca 0.05 -1.55 -0.07 0.00 0.00 0.00 0.00 46.02 44.44 1wcx n GLY 59 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wcx s VAL 60 N -1.01 0.20 0.05 1.61 -7.23 -1.26 -4.85 120.40 107.89 1wcx s VAL 60 Ca 0.00 -1.61 0.04 0.00 -1.81 0.00 0.00 61.98 58.60 1wcx s VAL 60 Cb 0.00 -1.26 -0.24 0.00 0.56 0.00 0.00 36.38 35.44 1wcx s VAL 60 CO 0.00 -0.89 1.01 0.44 -0.31 0.00 0.00 175.10 175.35 1wcx h ASP 61 N 3.45 0.15 -4.06 4.85 3.32 -1.38 -3.38 116.42 119.37 1wcx h ASP 61 Ca -0.34 -0.20 -0.21 0.00 0.02 0.00 0.00 57.03 56.31 1wcx h ASP 61 Cb 1.16 -0.05 -0.26 0.00 0.22 0.00 0.00 39.33 40.40 1wcx h ASP 61 CO 0.61 1.16 -0.68 -0.22 -1.72 0.00 0.00 179.24 178.39 1wcx s LEU 62 N -6.69 1.94 -0.10 1.55 2.96 -0.87 -1.66 118.68 115.82 1wcx s LEU 62 Ca -0.04 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 1wcx s LEU 62 Cb 0.08 0.13 0.02 0.00 0.50 0.00 0.00 46.19 46.92 1wcx s LEU 62 CO 0.84 -0.09 -0.11 0.12 -1.32 0.00 0.00 176.35 175.79 1wcx s PHE 63 N -0.37 1.60 -0.25 5.38 5.36 -0.35 0.42 117.98 129.77 1wcx s PHE 63 Ca -0.04 -0.75 -0.01 0.00 -0.96 0.00 0.00 56.93 55.17 1wcx s PHE 63 Cb -0.03 -1.24 0.03 0.00 -0.34 0.00 0.00 43.02 41.44 1wcx s PHE 63 CO -0.00 -0.45 -0.06 -1.17 -1.46 0.00 0.00 175.22 172.07 1wcx s LEU 64 N 1.28 3.21 -0.15 6.12 0.20 0.87 -1.07 118.68 129.14 1wcx s LEU 64 Ca -0.02 -0.91 -0.09 0.00 0.69 0.00 0.00 54.13 53.80 1wcx s LEU 64 Cb -0.14 -1.66 -0.04 0.00 -0.43 0.00 0.00 46.19 43.92 1wcx s LEU 64 CO -0.04 -0.13 0.15 0.00 -0.29 0.00 0.00 176.35 176.03 1wcx s ALA 65 N 1.31 3.79 -0.15 5.97 0.00 -0.20 -0.88 121.76 131.61 1wcx s ALA 65 Ca -0.00 -0.64 0.09 0.00 0.00 0.00 0.00 51.96 51.41 1wcx s ALA 65 Cb -0.17 -2.08 -0.16 0.00 0.00 0.00 0.00 23.12 20.72 1wcx s ALA 65 CO -0.05 0.42 -0.01 0.25 0.00 0.00 0.00 175.76 176.37 1wcx n THR 66 N 2.64 0.97 -4.14 0.00 -2.24 -1.24 -0.70 114.28 109.57 1wcx n THR 66 Ca -0.18 -0.54 -0.12 0.00 -2.27 0.00 0.00 64.05 60.95 1wcx n THR 66 Cb 0.54 -0.77 -0.10 0.00 -2.10 0.00 0.00 70.33 67.90 1wcx n THR 66 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wcx s THR 67 N -2.34 0.69 0.14 4.28 -4.23 -1.26 -4.54 115.64 108.38 1wcx s THR 67 Ca -0.12 -1.68 -0.12 0.00 -1.18 0.00 0.00 61.69 58.59 1wcx s THR 67 Cb 0.05 -1.37 -0.01 0.00 1.34 0.00 0.00 72.50 72.51 1wcx s THR 67 CO 0.53 -0.71 1.55 1.23 -0.54 0.00 0.00 174.62 176.67 1wcx h GLY 68 N 3.43 0.95 1.43 3.99 0.00 -1.87 -2.38 103.07 108.61 1wcx h GLY 68 Ca -0.36 -0.80 -0.09 0.00 0.00 0.00 0.00 47.33 46.08 1wcx h GLY 68 CO 0.57 0.73 -0.14 -0.24 0.00 0.00 0.00 176.54 177.46 1wcx h VAL 69 N 0.72 1.25 -0.60 4.60 3.04 -1.96 -1.98 116.25 121.32 1wcx h VAL 69 Ca 0.11 -1.17 -0.01 0.00 -1.01 0.00 0.00 66.70 64.62 1wcx h VAL 69 Cb 0.68 1.12 -0.03 0.00 -2.01 0.00 0.00 31.29 31.05 1wcx h VAL 69 CO 0.05 0.39 0.33 1.23 -1.01 0.00 0.00 177.57 178.56 1wcx h GLY 70 N 0.97 0.90 0.92 3.17 0.00 -1.88 -0.05 103.07 107.10 1wcx h GLY 70 Ca 0.10 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 1wcx h GLY 70 CO 0.04 0.39 0.04 -2.08 0.00 0.00 0.00 176.54 174.93 1wcx h VAL 71 N 0.81 1.25 -0.38 4.60 2.07 -1.09 -0.84 116.25 122.67 1wcx h VAL 71 Ca 0.21 -0.89 -0.06 0.00 0.82 0.00 0.00 66.70 66.78 1wcx h VAL 71 Cb 0.05 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1wcx h VAL 71 CO -0.03 0.30 0.02 0.03 0.02 0.00 0.00 177.57 177.91 1wcx h ARG 72 N 0.45 0.66 -0.67 1.57 3.08 -1.08 -2.84 114.38 115.54 1wcx h ARG 72 Ca 0.11 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 1wcx h ARG 72 Cb 0.39 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 1wcx h ARG 72 CO 0.01 0.74 0.21 -0.44 -1.07 0.00 0.00 179.97 179.43 1wcx h ASP 73 N 0.49 0.96 0.00 7.04 3.45 -0.94 -2.20 116.42 125.22 1wcx h ASP 73 Ca 0.11 -0.17 0.00 0.00 0.43 0.00 0.00 57.03 57.40 1wcx h ASP 73 Cb 0.43 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 38.95 1wcx h ASP 73 CO 0.02 0.89 0.00 -0.11 -1.57 0.00 0.00 179.24 178.47 1wcx n LEU 74 N -4.27 0.30 0.00 1.55 7.94 -0.33 -0.99 117.00 121.20 1wcx n LEU 74 Ca 0.05 -0.15 0.00 0.00 -1.11 0.00 0.00 56.01 54.81 1wcx n LEU 74 Cb 0.22 -0.07 0.00 0.00 0.53 0.00 0.00 43.42 44.10 1wcx n LEU 74 CO 0.41 0.05 0.00 -0.62 -1.11 0.00 0.00 177.39 176.12 1wcx n GLU 76 N 0.74 0.00 -0.18 1.96 1.02 -0.83 -1.52 120.64 121.82 1wcx n GLU 76 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1wcx n GLU 76 Cb 0.05 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 31.60 1wcx n GLU 76 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wcx h ALA 77 N 0.00 1.07 -0.59 0.62 0.00 -1.34 0.54 119.26 119.56 1wcx h ALA 77 Ca 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1wcx h ALA 77 Cb 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1wcx h ALA 77 CO 0.00 0.61 0.30 0.78 0.00 0.00 0.00 179.25 180.93 1wcx h GLY 78 N 1.03 0.91 0.92 0.00 0.00 -1.54 -0.71 103.07 103.67 1wcx h GLY 78 Ca 0.19 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 1wcx h GLY 78 CO 0.00 0.42 0.07 0.50 0.00 0.00 0.00 176.54 177.54 1wcx h LYS 79 N 0.80 0.60 0.00 4.80 1.57 -1.61 0.06 116.57 122.80 1wcx h LYS 79 Ca 0.20 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1wcx h LYS 79 Cb 0.10 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1wcx h LYS 79 CO -0.03 0.66 -0.10 0.00 -0.57 0.00 0.00 179.45 179.41 1wcx h ALA 80 N 0.92 1.56 -0.25 3.86 0.00 -0.56 -2.07 119.26 122.73 1wcx h ALA 80 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1wcx h ALA 80 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1wcx h ALA 80 CO 0.00 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.66 1wcx n LEU 81 N -4.03 2.86 -3.17 0.00 4.77 -0.30 -4.95 117.00 112.19 1wcx n LEU 81 Ca -0.02 -1.16 -0.20 0.00 -0.03 0.00 0.00 56.01 54.59 1wcx n LEU 81 Cb 0.19 -0.15 0.07 0.00 -2.33 0.00 0.00 43.42 41.19 1wcx n LEU 81 CO 0.32 0.58 0.21 0.61 -1.33 0.00 0.00 177.39 177.78 1wcx n GLY 82 N 1.38 -0.34 3.41 -0.72 0.00 -0.75 -5.01 105.19 103.16 1wcx n GLY 82 Ca 0.18 0.12 -0.30 0.00 0.00 0.00 0.00 46.02 46.02 1wcx n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wcx s LEU 83 N -6.41 2.41 -0.43 0.99 1.02 -0.07 -5.04 118.68 111.16 1wcx s LEU 83 Ca 0.48 -0.56 -0.19 0.00 0.02 0.00 0.00 54.13 53.88 1wcx s LEU 83 Cb -0.21 -1.38 0.02 0.00 0.02 0.00 0.00 46.19 44.64 1wcx s LEU 83 CO 0.63 0.23 0.54 -0.62 0.02 0.00 0.00 176.35 177.15 1wcx s ASP 84 N -1.58 6.26 -0.07 2.29 2.15 -1.26 -4.36 116.67 120.10 1wcx s ASP 84 Ca 0.14 -0.53 0.19 0.00 0.43 0.00 0.00 52.55 52.78 1wcx s ASP 84 Cb -0.10 -2.27 -0.29 0.00 -0.30 0.00 0.00 42.92 39.96 1wcx s ASP 84 CO 0.05 -0.69 0.33 0.18 -0.17 0.00 0.00 175.17 174.87 1wcx n LEU 85 N 5.93 0.00 -0.26 -1.34 4.77 -1.26 -4.51 117.00 120.33 1wcx n LEU 85 Ca -0.05 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.87 1wcx n LEU 85 Cb 0.47 0.14 0.05 0.00 -2.33 0.00 0.00 43.42 41.75 1wcx n LEU 85 CO 0.50 0.14 1.03 -0.33 -1.33 0.00 0.00 177.39 177.40 1wcx h GLU 86 N 0.00 1.08 0.79 3.23 5.08 -1.98 -1.30 114.58 121.48 1wcx h GLU 86 Ca -0.15 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 57.98 1wcx h GLU 86 Cb 1.29 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1wcx h GLU 86 CO 0.01 0.88 -0.42 0.78 -1.00 0.00 0.00 179.01 179.26 1wcx h GLY 87 N 1.04 -1.20 1.49 -3.84 0.00 -2.00 -0.22 103.07 98.33 1wcx h GLY 87 Ca 0.24 0.46 -0.05 0.00 0.00 0.00 0.00 47.33 47.99 1wcx h GLY 87 CO -0.02 -0.42 0.07 -0.56 0.00 0.00 0.00 176.54 175.60 1wcx h PRO 88 N -1.11 0.65 -0.22 4.80 0.13 -1.80 -2.19 132.00 132.27 1wcx h PRO 88 Ca -0.11 -0.13 -0.08 0.00 -0.87 0.00 0.00 66.00 64.81 1wcx h PRO 88 Cb 0.86 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 1wcx h PRO 88 CO 0.15 0.62 -0.22 -0.07 -0.23 0.00 0.00 178.00 178.25 1wcx h LEU 89 N 0.63 0.39 -1.25 1.56 4.07 -1.22 -1.85 115.31 117.64 1wcx h LEU 89 Ca 0.14 -0.12 -0.07 0.00 0.08 0.00 0.00 57.88 57.91 1wcx h LEU 89 Cb 0.29 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 1wcx h LEU 89 CO 0.00 0.62 -0.21 0.00 -1.08 0.00 0.00 178.44 177.77 1wcx h ALA 90 N 1.42 1.37 0.00 1.53 0.00 -0.39 -2.97 119.26 120.22 1wcx h ALA 90 Ca 0.06 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1wcx h ALA 90 Cb 0.59 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1wcx h ALA 90 CO 0.04 0.43 -0.95 0.87 0.00 0.00 0.00 179.25 179.64 1wcx h LYS 91 N 0.23 0.00 -7.31 0.00 1.57 -1.23 -3.47 116.57 106.35 1wcx h LYS 91 Ca 0.04 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.31 1wcx h LYS 91 Cb 0.51 0.00 0.12 0.00 0.08 0.00 0.00 32.23 32.95 1wcx h LYS 91 CO 0.03 0.26 0.33 0.00 -0.57 0.00 0.00 179.45 179.50 1wcx s ALA 92 N -3.05 2.34 -0.14 3.86 0.00 -0.73 -4.98 121.76 119.05 1wcx s ALA 92 Ca 0.00 0.24 -0.26 0.00 0.00 0.00 0.00 51.96 51.95 1wcx s ALA 92 Cb 0.08 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 1wcx s ALA 92 CO 0.78 -1.65 0.84 0.12 0.00 0.00 0.00 175.76 175.85 1wcx s PHE 93 N -2.91 3.47 -0.16 0.00 5.36 -0.66 -4.89 117.98 118.19 1wcx s PHE 93 Ca 0.61 1.32 -0.03 0.00 -0.96 0.00 0.00 56.93 57.86 1wcx s PHE 93 Cb -0.17 -3.01 -0.03 0.00 -0.34 0.00 0.00 43.02 39.48 1wcx s PHE 93 CO 0.55 -0.18 -0.05 1.03 -1.46 0.00 0.00 175.22 175.12 1wcx s ARG 94 N 1.88 3.64 0.01 10.12 0.52 -1.26 -1.22 118.95 132.64 1wcx s ARG 94 Ca 0.40 -0.54 0.08 0.00 -0.52 0.00 0.00 55.73 55.16 1wcx s ARG 94 Cb -0.17 -2.89 -0.02 0.00 0.52 0.00 0.00 34.95 32.38 1wcx s ARG 94 CO 0.15 0.22 -0.25 -0.51 0.02 0.00 0.00 175.30 174.93 1wcx s LEU 95 N 0.40 2.11 -0.05 2.53 1.43 -0.23 -0.08 118.68 124.78 1wcx s LEU 95 Ca -0.04 -0.51 0.06 0.00 -1.03 0.00 0.00 54.13 52.61 1wcx s LEU 95 Cb -0.14 -1.24 -0.01 0.00 0.03 0.00 0.00 46.19 44.82 1wcx s LEU 95 CO 0.03 0.27 -0.25 0.00 0.23 0.00 0.00 176.35 176.64 1wcx s ALA 96 N -0.69 2.12 0.22 4.21 0.00 -0.47 -1.03 121.76 126.11 1wcx s ALA 96 Ca 0.10 -1.03 -0.03 0.00 0.00 0.00 0.00 51.96 51.00 1wcx s ALA 96 Cb -0.10 -0.65 0.22 0.00 0.00 0.00 0.00 23.12 22.59 1wcx s ALA 96 CO 0.01 0.41 1.62 -0.09 0.00 0.00 0.00 175.76 177.71 1wcx h ARG 97 N 6.05 0.68 0.00 0.00 2.43 -1.17 -0.12 114.38 122.24 1wcx h ARG 97 Ca -0.32 -0.29 -0.05 0.00 -0.81 0.00 0.00 59.98 58.50 1wcx h ARG 97 Cb 1.17 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1wcx h ARG 97 CO 0.47 0.89 -0.03 0.41 -1.51 0.00 0.00 179.97 180.20 1wcx n GLY 98 N -0.17 3.03 0.30 2.80 0.00 -1.26 -0.19 105.19 109.70 1wcx n GLY 98 Ca -0.01 -1.44 -0.04 0.00 0.00 0.00 0.00 46.02 44.54 1wcx n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wcx h ALA 99 N 1.51 1.14 -0.23 4.61 0.00 -1.91 -1.54 119.26 122.84 1wcx h ALA 99 Ca -0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1wcx h ALA 99 Cb 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1wcx h ALA 99 CO 0.06 0.57 0.04 0.87 0.00 0.00 0.00 179.25 180.80 1wcx h LYS 100 N 0.84 0.37 -0.57 0.00 1.57 -1.97 -0.47 116.57 116.34 1wcx h LYS 100 Ca 0.18 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 1wcx h LYS 100 Cb 0.34 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1wcx h LYS 100 CO 0.00 0.50 -0.01 0.00 -0.57 0.00 0.00 179.45 179.37 1wcx h ALA 101 N 0.85 0.90 -0.32 3.86 0.00 -1.77 -2.18 119.26 120.59 1wcx h ALA 101 Ca 0.07 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1wcx h ALA 101 Cb 0.31 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1wcx h ALA 101 CO 0.00 0.65 0.17 0.00 0.00 0.00 0.00 179.25 180.08 1wcx h ALA 102 N 1.06 0.40 -0.49 0.00 0.00 -1.09 -1.16 119.26 117.97 1wcx h ALA 102 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1wcx h ALA 102 Cb 0.55 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1wcx h ALA 102 CO 0.03 -0.20 0.15 0.00 0.00 0.00 0.00 179.25 179.24 1wcx h ARG 103 N 0.36 0.76 -0.84 0.00 3.08 -0.93 -0.01 114.38 116.81 1wcx h ARG 103 Ca 0.13 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1wcx h ARG 103 Cb 0.03 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 1wcx h ARG 103 CO -0.08 0.72 0.42 0.00 -1.07 0.00 0.00 179.97 179.96 1wcx h ALA 104 N 1.01 1.07 -0.34 0.04 0.00 -1.17 0.32 119.26 120.20 1wcx h ALA 104 Ca 0.16 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1wcx h ALA 104 Cb 0.27 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1wcx h ALA 104 CO -0.01 0.62 0.21 -0.07 0.00 0.00 0.00 179.25 180.00 1wcx h LEU 105 N 1.18 0.40 -0.54 0.00 3.38 -0.96 -1.13 115.31 117.65 1wcx h LEU 105 Ca 0.29 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.26 1wcx h LEU 105 Cb 0.08 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1wcx h LEU 105 CO -0.04 0.33 0.30 0.11 0.09 0.00 0.00 178.44 179.23 1wcx h LYS 106 N 0.45 0.57 -0.19 1.13 1.79 -0.28 0.43 116.57 120.48 1wcx h LYS 106 Ca 0.12 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.54 1wcx h LYS 106 Cb -0.01 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.50 1wcx h LYS 106 CO -0.02 0.38 0.03 0.93 -1.08 0.00 0.00 179.45 179.69 1wcx h GLU 107 N 0.59 0.26 -0.03 3.15 5.08 -0.11 -1.15 114.58 122.38 1wcx h GLU 107 Ca 0.23 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1wcx h GLU 107 Cb 0.08 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1wcx h GLU 107 CO -0.13 0.26 0.00 0.00 -1.00 0.00 0.00 179.01 178.14 1wcx n ALA 108 N -2.50 2.62 -1.25 3.43 0.00 -0.14 -4.86 120.51 117.81 1wcx n ALA 108 Ca -0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 53.44 53.19 1wcx n ALA 108 Cb 0.15 -1.32 -0.01 0.00 0.00 0.00 0.00 19.45 18.27 1wcx n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wcx n GLY 109 N 0.93 0.51 2.46 0.00 0.00 -0.44 -4.95 105.19 103.70 1wcx n GLY 109 Ca 0.17 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 1wcx n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wcx n LEU 110 N -0.28 2.16 -4.64 0.99 4.77 -0.04 -5.01 117.00 114.95 1wcx n LEU 110 Ca -0.02 -5.25 -0.44 0.00 -0.03 0.00 0.00 56.01 50.27 1wcx n LEU 110 Cb 0.16 0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 1wcx n LEU 110 CO 0.03 2.30 0.73 -0.81 -1.33 0.00 0.00 177.39 178.31 1wcx n PRO 111 N 0.16 1.70 -2.32 3.23 -0.04 -1.24 -4.28 135.00 132.21 1wcx n PRO 111 Ca 0.27 0.60 -0.35 0.00 -0.04 0.00 0.00 63.50 63.98 1wcx n PRO 111 Cb 0.55 -2.07 -0.01 0.00 -0.04 0.00 0.00 33.50 31.94 1wcx n PRO 111 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1wcx s PRO 112 N -1.63 3.48 0.31 0.54 0.04 -1.26 -4.89 135.00 131.59 1wcx s PRO 112 Ca 0.58 1.58 0.19 0.00 0.04 0.00 0.00 61.00 63.39 1wcx s PRO 112 Cb -0.65 -2.06 0.14 0.00 0.04 0.00 0.00 34.50 31.97 1wcx s PRO 112 CO 0.60 -0.74 1.38 0.45 0.04 0.00 0.00 177.00 178.74 1wcx h HIS 113 N 1.35 0.00 -2.49 0.56 3.86 -0.86 -3.46 115.15 114.12 1wcx h HIS 113 Ca -0.50 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 58.62 1wcx h HIS 113 Cb 1.25 0.00 -0.20 0.00 1.06 0.00 0.00 27.41 29.52 1wcx h HIS 113 CO 0.52 0.23 -0.04 0.00 0.86 0.00 0.00 177.93 179.51 1wcx s ALA 114 N -3.12 -1.30 -0.02 2.45 0.00 -1.17 -5.06 121.76 113.54 1wcx s ALA 114 Ca 0.04 0.93 0.02 0.00 0.00 0.00 0.00 51.96 52.94 1wcx s ALA 114 Cb 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.12 1wcx s ALA 114 CO 0.73 -0.31 -0.06 0.08 0.00 0.00 0.00 175.76 176.20 1wcx s VAL 115 N -1.07 0.55 0.00 0.00 1.01 -1.26 -1.37 120.40 118.25 1wcx s VAL 115 Ca -0.11 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1wcx s VAL 115 Cb -0.03 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.86 1wcx s VAL 115 CO 0.06 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.95 1wcx n GLY 116 N 3.21 0.34 0.98 4.51 0.00 -0.06 -4.98 105.19 109.20 1wcx n GLY 116 Ca -0.17 -1.77 0.08 0.00 0.00 0.00 0.00 46.02 44.17 1wcx n GLY 116 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wcx n ASP 117 N 0.00 4.05 0.00 1.61 5.68 -1.09 -4.46 116.55 122.34 1wcx n ASP 117 Ca 0.00 -3.00 0.00 0.00 -0.50 0.00 0.00 54.79 51.29 1wcx n ASP 117 Cb 0.00 -0.56 0.00 0.00 -1.14 0.00 0.00 41.12 39.42 1wcx n ASP 117 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wcx n GLY 118 N -0.40 0.32 3.32 6.12 0.00 0.74 -4.93 105.19 110.37 1wcx n GLY 118 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 1wcx n GLY 118 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wcx s THR 119 N -2.02 1.93 0.35 2.61 -4.23 -1.26 -4.85 115.64 108.17 1wcx s THR 119 Ca 0.00 -1.55 0.04 0.00 -1.18 0.00 0.00 61.69 59.01 1wcx s THR 119 Cb 0.00 -1.72 0.29 0.00 1.34 0.00 0.00 72.50 72.41 1wcx s THR 119 CO 0.00 0.08 1.96 0.28 -0.54 0.00 0.00 174.62 176.40 1wcx h SER 120 N 4.21 0.71 0.01 3.99 0.02 -1.98 -2.20 113.55 118.31 1wcx h SER 120 Ca -0.47 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.46 1wcx h SER 120 Cb 1.17 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 1wcx h SER 120 CO 0.40 0.47 -0.04 0.07 -1.14 0.00 0.00 176.83 176.59 1wcx h LYS 121 N 0.82 0.10 0.00 3.45 2.10 -1.98 -1.51 116.57 119.55 1wcx h LYS 121 Ca 0.31 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.94 1wcx h LYS 121 Cb 0.18 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 1wcx h LYS 121 CO -0.10 0.16 0.00 0.66 -2.00 0.00 0.00 179.45 178.17 1wcx h SER 122 N 0.10 0.00 1.51 7.07 4.64 -1.79 -2.90 113.55 122.18 1wcx h SER 122 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1wcx h SER 122 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1wcx h SER 122 CO 0.01 0.00 -0.40 -0.07 -0.87 0.00 0.00 176.83 175.49 1wcx h LEU 123 N 0.00 0.00 -0.31 5.97 3.38 -1.35 -3.37 115.31 119.64 1wcx h LEU 123 Ca 0.00 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.02 1wcx h LEU 123 Cb 0.52 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.21 1wcx h LEU 123 CO 0.00 0.01 -0.09 -0.07 0.09 0.00 0.00 178.44 178.38 1wcx h LEU 124 N 0.00 -0.32 0.00 1.67 -0.00 -1.53 0.50 115.31 115.63 1wcx h LEU 124 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1wcx h LEU 124 Cb 0.96 0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.82 1wcx h LEU 124 CO 0.00 -0.11 0.00 -0.81 -0.00 0.00 0.00 178.44 177.52 1wcx n PRO 125 N -5.27 0.16 0.00 1.13 -0.04 -1.26 -2.22 135.00 127.50 1wcx n PRO 125 Ca 0.00 0.16 0.09 0.00 -0.04 0.00 0.00 63.50 63.72 1wcx n PRO 125 Cb 0.18 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.09 1wcx n PRO 125 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1wcx n LEU 126 N -1.36 1.44 -4.67 1.53 4.77 0.08 -4.90 117.00 113.90 1wcx n LEU 126 Ca 0.06 -0.64 -0.42 0.00 -0.03 0.00 0.00 56.01 54.98 1wcx n LEU 126 Cb 0.15 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1wcx n LEU 126 CO 0.13 0.30 0.73 -0.76 -1.33 0.00 0.00 177.39 176.46 1wcx s LEU 127 N -2.58 4.16 0.49 2.23 1.43 -0.70 -5.04 118.68 118.66 1wcx s LEU 127 Ca 0.12 1.28 -0.14 0.00 -1.03 0.00 0.00 54.13 54.36 1wcx s LEU 127 Cb 0.15 -3.37 -0.07 0.00 0.03 0.00 0.00 46.19 42.94 1wcx s LEU 127 CO 0.63 -0.49 0.92 -2.16 0.23 0.00 0.00 176.35 175.48 1wcx s PRO 128 N 2.49 3.87 -0.13 1.29 0.04 -1.26 -5.02 135.00 136.27 1wcx s PRO 128 Ca 0.41 0.78 -0.25 0.00 0.04 0.00 0.00 61.00 61.98 1wcx s PRO 128 Cb -0.16 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 32.14 1wcx s PRO 128 CO 0.11 -0.22 0.82 -0.65 0.04 0.00 0.00 177.00 177.10 1wcx s GLN 129 N -4.09 4.36 0.00 4.56 -0.21 -1.26 -4.83 119.66 118.18 1wcx s GLN 129 Ca 0.56 1.03 0.00 0.00 0.02 0.00 0.00 55.36 56.97 1wcx s GLN 129 Cb -0.10 -3.53 0.00 0.00 1.00 0.00 0.00 33.01 30.37 1wcx s GLN 129 CO 0.33 -0.22 0.00 0.41 -2.12 0.00 0.00 175.29 173.70 1wcx n GLY 130 N 3.32 3.29 3.53 3.09 0.00 -1.11 -5.07 105.19 112.24 1wcx n GLY 130 Ca 0.03 -0.23 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 1wcx n GLY 130 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wcx s ARG 131 N 4.00 0.71 0.00 1.61 1.04 -1.26 -4.51 118.95 120.54 1wcx s ARG 131 Ca 0.00 -0.18 0.00 0.00 -1.04 0.00 0.00 55.73 54.51 1wcx s ARG 131 Cb 0.00 0.33 0.00 0.00 -2.04 0.00 0.00 34.95 33.24 1wcx s ARG 131 CO 0.00 -0.30 0.00 0.41 -0.04 0.00 0.00 175.30 175.37 1wcx n GLY 132 N -0.01 0.44 3.44 3.88 0.00 -1.24 -4.87 105.19 106.82 1wcx n GLY 132 Ca -0.08 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 43.90 1wcx n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wcx s VAL 133 N 0.00 3.44 -0.23 1.61 1.01 -1.26 0.70 120.40 125.68 1wcx s VAL 133 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.47 1wcx s VAL 133 Cb 0.00 -2.46 0.04 0.00 0.00 0.00 0.00 36.38 33.95 1wcx s VAL 133 CO 0.00 0.52 -0.14 0.00 0.00 0.00 0.00 175.10 175.49 1wcx s ALA 134 N 0.21 2.50 -0.06 5.51 0.00 0.60 -0.96 121.76 129.57 1wcx s ALA 134 Ca -0.05 -1.51 -0.25 0.00 0.00 0.00 0.00 51.96 50.15 1wcx s ALA 134 Cb -0.15 -1.45 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 1wcx s ALA 134 CO 0.04 -0.82 0.75 0.00 0.00 0.00 0.00 175.76 175.73 1wcx s ALA 135 N 1.21 3.31 -0.21 0.00 0.00 0.17 -0.11 121.76 126.13 1wcx s ALA 135 Ca -0.02 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.15 1wcx s ALA 135 Cb -0.17 -3.02 0.04 0.00 0.00 0.00 0.00 23.12 19.97 1wcx s ALA 135 CO -0.08 -0.14 -0.14 -1.17 0.00 0.00 0.00 175.76 174.22 1wcx s LEU 136 N 0.88 2.57 -0.20 0.00 2.96 -0.04 -0.09 118.68 124.75 1wcx s LEU 136 Ca 0.40 -0.94 -0.26 0.00 -0.22 0.00 0.00 54.13 53.11 1wcx s LEU 136 Cb -0.18 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 1wcx s LEU 136 CO 0.19 -0.10 0.87 -1.58 -1.32 0.00 0.00 176.35 174.42 1wcx s GLN 137 N 1.27 4.26 0.51 1.98 -0.44 -0.05 -1.37 119.66 125.81 1wcx s GLN 137 Ca -0.01 1.07 0.04 0.00 -2.50 0.00 0.00 55.36 53.95 1wcx s GLN 137 Cb -0.16 -3.61 0.01 0.00 -1.64 0.00 0.00 33.01 27.61 1wcx s GLN 137 CO -0.09 -0.44 0.20 -0.51 0.50 0.00 0.00 175.29 174.94 1wcx s LEU 138 N 2.56 2.56 0.00 3.68 1.43 -0.09 -3.73 118.68 125.09 1wcx s LEU 138 Ca 0.39 -1.42 0.13 0.00 -1.03 0.00 0.00 54.13 52.20 1wcx s LEU 138 Cb -0.16 -1.00 0.22 0.00 0.03 0.00 0.00 46.19 45.28 1wcx s LEU 138 CO 0.10 -0.93 1.05 0.00 0.23 0.00 0.00 176.35 176.80 1wcx n TYR 139 N -1.48 0.00 0.00 0.29 0.18 -1.26 -4.23 117.16 110.65 1wcx n TYR 139 Ca -0.10 -0.31 0.00 0.00 1.88 0.00 0.00 57.90 59.37 1wcx n TYR 139 Cb 0.66 -0.01 0.00 0.00 -0.38 0.00 0.00 39.34 39.60 1wcx n TYR 139 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1wcx n GLY 140 N 0.25 1.86 3.81 -7.48 0.00 -1.25 -0.61 105.19 101.77 1wcx n GLY 140 Ca -0.00 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 1wcx n GLY 140 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wcx s LYS 141 N 0.00 3.20 0.54 1.61 2.20 -1.26 -4.80 119.74 121.23 1wcx s LYS 141 Ca 0.00 -0.35 -0.22 0.00 -0.36 0.00 0.00 55.97 55.05 1wcx s LYS 141 Cb 0.00 -2.97 -0.05 0.00 -1.51 0.00 0.00 37.83 33.30 1wcx s LYS 141 CO 0.00 0.70 1.32 -2.14 -0.36 0.00 0.00 175.35 174.87 1wcx s PRO 142 N -1.39 3.18 -0.47 4.03 0.02 -1.26 -4.97 135.00 134.14 1wcx s PRO 142 Ca 0.19 2.15 0.08 0.00 0.02 0.00 0.00 61.00 63.44 1wcx s PRO 142 Cb -0.12 -2.24 0.29 0.00 0.02 0.00 0.00 34.50 32.46 1wcx s PRO 142 CO 0.09 -1.13 0.70 1.28 -0.33 0.00 0.00 177.00 177.62 1wcx n LEU 143 N -1.03 1.93 -0.30 -5.54 4.77 -1.26 -4.97 117.00 110.59 1wcx n LEU 143 Ca 0.10 -5.12 -0.01 0.00 -0.03 0.00 0.00 56.01 50.95 1wcx n LEU 143 Cb 0.46 0.15 0.12 0.00 -2.33 0.00 0.00 43.42 41.82 1wcx n LEU 143 CO 0.51 2.18 1.20 1.55 -1.33 0.00 0.00 177.39 181.50 1wcx h PRO 144 N 3.59 0.98 -0.20 3.23 0.13 -1.96 0.24 132.00 138.01 1wcx h PRO 144 Ca 0.12 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 65.21 1wcx h PRO 144 Cb 0.79 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 1wcx h PRO 144 CO 0.62 0.65 0.04 1.25 -0.23 0.00 0.00 178.00 180.33 1wcx h LEU 145 N 1.01 0.02 -0.24 1.56 6.46 -1.98 0.37 115.31 122.50 1wcx h LEU 145 Ca 0.35 0.03 -0.08 0.00 -0.12 0.00 0.00 57.88 58.05 1wcx h LEU 145 Cb 0.06 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 1wcx h LEU 145 CO -0.13 0.04 -0.18 0.25 -0.62 0.00 0.00 178.44 177.80 1wcx h LEU 146 N 0.12 0.58 -1.34 2.25 5.85 -1.81 -1.82 115.31 119.15 1wcx h LEU 146 Ca 0.09 -0.44 -0.05 0.00 0.84 0.00 0.00 57.88 58.32 1wcx h LEU 146 Cb 0.08 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1wcx h LEU 146 CO -0.11 0.90 -0.05 -0.33 -0.34 0.00 0.00 178.44 178.51 1wcx h GLU 147 N 0.26 0.38 0.01 1.25 5.08 -0.23 -2.05 114.58 119.29 1wcx h GLU 147 Ca 0.05 -0.08 -0.21 0.00 -1.00 0.00 0.00 59.36 58.12 1wcx h GLU 147 Cb 0.71 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1wcx h GLU 147 CO 0.05 0.45 -1.00 -0.91 -1.00 0.00 0.00 179.01 176.60 1wcx h ASN 148 N 0.37 0.02 -0.53 1.42 2.35 -0.25 -3.17 115.58 115.79 1wcx h ASN 148 Ca 0.08 -0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.69 1wcx h ASN 148 Cb 0.33 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 1wcx h ASN 148 CO 0.01 1.01 -0.11 0.00 -1.65 0.00 0.00 177.43 176.69 1wcx h ALA 149 N 0.99 0.73 -0.49 -0.83 0.00 -0.95 -2.18 119.26 116.53 1wcx h ALA 149 Ca -0.02 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1wcx h ALA 149 Cb 1.76 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 1wcx h ALA 149 CO 0.13 0.64 0.03 -0.07 0.00 0.00 0.00 179.25 179.98 1wcx h LEU 150 N 0.88 0.76 -0.09 0.00 3.38 -1.44 -0.32 115.31 118.49 1wcx h LEU 150 Ca 0.14 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1wcx h LEU 150 Cb 0.68 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1wcx h LEU 150 CO 0.05 0.81 0.02 0.00 0.09 0.00 0.00 178.44 179.41 1wcx h ALA 151 N 1.28 0.12 -0.92 1.53 0.00 -1.48 0.55 119.26 120.34 1wcx h ALA 151 Ca 0.15 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1wcx h ALA 151 Cb 0.42 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1wcx h ALA 151 CO 0.02 -0.25 0.60 0.93 0.00 0.00 0.00 179.25 180.55 1wcx h GLU 152 N -0.08 1.10 0.00 0.00 5.08 -1.02 0.39 114.58 120.04 1wcx h GLU 152 Ca 0.03 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1wcx h GLU 152 Cb 0.27 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1wcx h GLU 152 CO 0.00 0.73 0.00 0.54 -1.00 0.00 0.00 179.01 179.28 1wcx n ARG 153 N -4.45 0.35 -0.27 2.33 5.12 -0.16 -4.84 116.66 114.74 1wcx n ARG 153 Ca 0.13 0.05 0.00 0.00 -1.93 0.00 0.00 57.85 56.10 1wcx n ARG 153 Cb 0.12 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.92 1wcx n ARG 153 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wcx n GLY 154 N -0.14 0.86 3.91 -0.13 0.00 0.14 -2.74 105.19 107.09 1wcx n GLY 154 Ca 0.09 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 1wcx n GLY 154 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wcx s TYR 155 N -2.00 3.43 -0.19 1.61 1.51 0.17 -3.69 117.35 118.19 1wcx s TYR 155 Ca 0.00 0.13 -0.15 0.00 -1.01 0.00 0.00 57.07 56.04 1wcx s TYR 155 Cb 0.00 -1.67 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 1wcx s TYR 155 CO 0.00 0.54 0.36 0.50 -1.11 0.00 0.00 175.55 175.84 1wcx s ARG 156 N -2.96 4.19 -0.06 -0.62 3.52 0.22 -3.96 118.95 119.28 1wcx s ARG 156 Ca 0.34 0.16 -0.27 0.00 -0.13 0.00 0.00 55.73 55.83 1wcx s ARG 156 Cb -0.12 -3.51 -0.03 0.00 -1.56 0.00 0.00 34.95 29.74 1wcx s ARG 156 CO 0.27 0.04 0.85 0.08 -0.81 0.00 0.00 175.30 175.73 1wcx s VAL 157 N 1.08 4.93 -0.41 7.11 1.01 -1.26 -0.29 120.40 132.57 1wcx s VAL 157 Ca 0.18 1.76 -0.07 0.00 0.00 0.00 0.00 61.98 63.85 1wcx s VAL 157 Cb -0.14 -4.19 0.09 0.00 0.00 0.00 0.00 36.38 32.14 1wcx s VAL 157 CO 0.07 0.16 0.22 -0.22 0.00 0.00 0.00 175.10 175.34 1wcx s LEU 158 N 1.17 5.08 0.23 3.92 2.96 0.84 -4.93 118.68 127.96 1wcx s LEU 158 Ca 0.44 -1.65 -0.30 0.00 -0.22 0.00 0.00 54.13 52.40 1wcx s LEU 158 Cb -0.19 -1.92 -0.09 0.00 0.50 0.00 0.00 46.19 44.50 1wcx s LEU 158 CO 0.21 -0.52 1.06 -2.16 -1.32 0.00 0.00 176.35 173.62 1wcx s PRO 159 N 1.33 4.68 0.24 0.98 0.04 -1.26 -0.86 135.00 140.14 1wcx s PRO 159 Ca 0.04 1.70 0.01 0.00 0.04 0.00 0.00 61.00 62.79 1wcx s PRO 159 Cb -0.23 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.02 1wcx s PRO 159 CO -0.00 0.24 0.07 -0.51 0.04 0.00 0.00 177.00 176.84 1wcx s LEU 160 N -1.01 1.74 0.00 -3.56 1.43 -0.47 -4.85 118.68 111.95 1wcx s LEU 160 Ca 0.45 -1.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.22 1wcx s LEU 160 Cb -0.30 0.01 0.00 0.00 0.03 0.00 0.00 46.19 45.94 1wcx s LEU 160 CO 0.37 -0.69 0.00 -2.65 0.23 0.00 0.00 176.35 173.60 1wcx n PRO 162 N -0.41 0.00 -3.98 1.29 -0.02 -1.26 -0.91 135.00 129.72 1wcx n PRO 162 Ca -0.01 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.37 1wcx n PRO 162 Cb 0.66 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 34.06 1wcx n PRO 162 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1wcx s TYR 163 N -0.73 0.43 -0.03 6.00 1.13 -1.26 -1.01 117.35 121.88 1wcx s TYR 163 Ca 0.00 -0.81 0.03 0.00 -1.41 0.00 0.00 57.07 54.88 1wcx s TYR 163 Cb 0.00 -0.13 -0.00 0.00 -1.10 0.00 0.00 41.96 40.73 1wcx s TYR 163 CO 0.00 -0.65 -0.13 1.03 -2.51 0.00 0.00 175.55 173.29 1wcx s ARG 164 N -3.96 1.33 -0.16 -3.49 0.52 0.41 -3.83 118.95 109.77 1wcx s ARG 164 Ca 0.16 -0.45 -0.04 0.00 -0.52 0.00 0.00 55.73 54.87 1wcx s ARG 164 Cb 0.04 -1.20 -0.03 0.00 0.52 0.00 0.00 34.95 34.28 1wcx s ARG 164 CO -0.02 0.19 -0.02 -1.01 0.02 0.00 0.00 175.30 174.46 1wcx s HIS 165 N 0.08 3.06 0.10 -0.53 3.76 0.22 -1.47 115.29 120.51 1wcx s HIS 165 Ca -0.03 -0.25 0.02 0.00 -0.15 0.00 0.00 55.06 54.66 1wcx s HIS 165 Cb -0.10 -1.98 -0.04 0.00 1.11 0.00 0.00 32.58 31.57 1wcx s HIS 165 CO 0.01 -0.01 -0.07 -0.51 -0.85 0.00 0.00 174.74 173.30 1wcx s LEU 166 N 0.39 2.50 0.67 0.89 1.43 0.79 -4.16 118.68 121.19 1wcx s LEU 166 Ca -0.03 -0.98 -0.15 0.00 -1.03 0.00 0.00 54.13 51.95 1wcx s LEU 166 Cb -0.14 -0.12 0.01 0.00 0.03 0.00 0.00 46.19 45.97 1wcx s LEU 166 CO 0.02 -0.43 1.12 -2.16 0.23 0.00 0.00 176.35 175.13 1wcx s PRO 167 N -3.68 2.71 -0.65 1.29 0.04 -1.26 0.68 135.00 134.13 1wcx s PRO 167 Ca 0.11 1.40 -0.08 0.00 0.04 0.00 0.00 61.00 62.47 1wcx s PRO 167 Cb 0.04 -1.94 0.17 0.00 0.04 0.00 0.00 34.50 32.81 1wcx s PRO 167 CO -0.04 -1.32 0.52 0.34 0.04 0.00 0.00 177.00 176.53 1wcx s ASP 168 N -2.60 5.83 0.18 6.66 -1.08 -0.11 -4.32 116.67 121.23 1wcx s ASP 168 Ca 0.67 -2.56 -0.16 0.00 -0.52 0.00 0.00 52.55 49.98 1wcx s ASP 168 Cb -0.21 -2.01 0.15 0.00 -1.46 0.00 0.00 42.92 39.40 1wcx s ASP 168 CO 0.43 -0.52 1.65 -0.65 0.52 0.00 0.00 175.17 176.60 1wcx h PRO 169 N 7.63 -0.01 -0.66 4.34 0.11 -1.94 0.13 132.00 141.60 1wcx h PRO 169 Ca -0.03 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.02 1wcx h PRO 169 Cb 1.01 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 1wcx h PRO 169 CO 0.76 -0.01 0.16 0.93 -0.21 0.00 0.00 178.00 179.64 1wcx h GLU 170 N -0.01 1.05 -0.54 1.05 3.07 -1.98 -1.14 114.58 116.07 1wcx h GLU 170 Ca 0.24 -0.25 -0.04 0.00 -0.50 0.00 0.00 59.36 58.81 1wcx h GLU 170 Cb 0.38 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.12 1wcx h GLU 170 CO -0.52 0.94 0.18 0.78 -1.40 0.00 0.00 179.01 178.99 1wcx h GLY 171 N 0.98 0.86 0.99 -3.84 0.00 -1.58 -0.09 103.07 100.39 1wcx h GLY 171 Ca 0.21 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 46.97 1wcx h GLY 171 CO 0.00 0.43 -0.26 -2.22 0.00 0.00 0.00 176.54 174.49 1wcx h ILE 172 N 0.78 1.29 -0.18 2.60 2.04 -0.41 -1.23 117.51 122.40 1wcx h ILE 172 Ca 0.18 -1.42 -0.12 0.00 1.00 0.00 0.00 64.86 64.51 1wcx h ILE 172 Cb 0.21 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1wcx h ILE 172 CO -0.01 0.46 -0.39 -0.07 0.00 0.00 0.00 178.15 178.14 1wcx h LEU 173 N 0.50 0.42 -0.61 1.44 3.38 -0.71 0.44 115.31 120.17 1wcx h LEU 173 Ca 0.06 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 1wcx h LEU 173 Cb 0.83 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1wcx h LEU 173 CO 0.07 0.77 -0.05 0.03 0.09 0.00 0.00 178.44 179.35 1wcx h ARG 174 N 0.33 1.04 -0.36 1.13 3.08 -0.87 -1.34 114.38 117.39 1wcx h ARG 174 Ca 0.03 -0.35 -0.10 0.00 0.07 0.00 0.00 59.98 59.63 1wcx h ARG 174 Cb 0.84 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 1wcx h ARG 174 CO 0.07 1.05 -0.15 1.25 -1.07 0.00 0.00 179.97 181.11 1wcx h LEU 175 N 0.94 0.76 -0.30 3.04 5.85 -0.83 -1.79 115.31 122.98 1wcx h LEU 175 Ca 0.16 -0.40 0.05 0.00 0.84 0.00 0.00 57.88 58.53 1wcx h LEU 175 Cb 0.61 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1wcx h LEU 175 CO 0.04 0.99 0.02 -0.08 -0.34 0.00 0.00 178.44 179.06 1wcx h GLU 176 N 0.53 0.11 -0.09 1.25 4.81 -0.80 -0.67 114.58 119.73 1wcx h GLU 176 Ca 0.08 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1wcx h GLU 176 Cb 0.69 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 1wcx h GLU 176 CO 0.05 0.07 -0.07 0.93 -0.73 0.00 0.00 179.01 179.26 1wcx h GLU 177 N 0.11 -0.08 -0.28 1.92 5.08 -1.08 -1.84 114.58 118.41 1wcx h GLU 177 Ca 0.14 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.57 1wcx h GLU 177 Cb 0.18 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 1wcx h GLU 177 CO -0.22 -0.05 -0.14 0.00 -1.00 0.00 0.00 179.01 177.59 1wcx h ALA 178 N 1.00 0.08 -0.42 3.43 0.00 -0.81 -0.93 119.26 121.60 1wcx h ALA 178 Ca 0.06 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1wcx h ALA 178 Cb 0.17 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1wcx h ALA 178 CO -0.14 -0.54 0.17 -0.07 0.00 0.00 0.00 179.25 178.66 1wcx h LEU 179 N -0.11 0.20 -0.42 0.00 3.38 -0.79 -1.58 115.31 115.99 1wcx h LEU 179 Ca 0.15 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1wcx h LEU 179 Cb 0.33 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1wcx h LEU 179 CO -0.35 0.15 0.00 0.18 0.09 0.00 0.00 178.44 178.51 1wcx n LEU 180 N -4.99 0.59 0.08 1.67 7.99 -0.72 -2.68 117.00 118.94 1wcx n LEU 180 Ca 0.03 0.62 0.13 0.00 -0.01 0.00 0.00 56.01 56.77 1wcx n LEU 180 Cb 0.15 -0.50 0.30 0.00 -0.11 0.00 0.00 43.42 43.25 1wcx n LEU 180 CO 0.27 -0.41 0.64 -1.14 -1.51 0.00 0.00 177.39 175.24 1wcx n ARG 181 N -2.12 0.27 -1.33 3.23 0.63 -0.39 -4.92 116.66 112.04 1wcx n ARG 181 Ca 0.03 0.15 -0.01 0.00 -0.92 0.00 0.00 57.85 57.11 1wcx n ARG 181 Cb 0.27 -1.75 -0.00 0.00 0.45 0.00 0.00 32.46 31.44 1wcx n ARG 181 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wcx n GLY 182 N 1.33 0.42 0.15 5.14 0.00 -1.09 -4.93 105.19 106.20 1wcx n GLY 182 Ca 0.05 -0.99 -0.20 0.00 0.00 0.00 0.00 46.02 44.88 1wcx n GLY 182 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1wcx h GLU 183 N 0.00 0.46 -5.56 1.61 4.81 -1.79 -3.46 114.58 110.64 1wcx h GLU 183 Ca -0.02 -0.62 -0.63 0.00 -0.13 0.00 0.00 59.36 57.96 1wcx h GLU 183 Cb 0.35 0.20 -0.09 0.00 0.63 0.00 0.00 28.75 29.85 1wcx h GLU 183 CO 0.03 1.25 -0.42 0.08 -0.73 0.00 0.00 179.01 179.23 1wcx s VAL 184 N -2.89 5.38 -0.10 0.32 1.01 -1.26 -4.78 120.40 118.08 1wcx s VAL 184 Ca -0.12 0.35 0.08 0.00 0.00 0.00 0.00 61.98 62.29 1wcx s VAL 184 Cb 0.03 -3.50 -0.24 0.00 0.00 0.00 0.00 36.38 32.67 1wcx s VAL 184 CO 0.87 0.52 0.42 0.47 0.00 0.00 0.00 175.10 177.39 1wcx n ASP 185 N 2.67 1.12 -3.70 3.32 8.00 0.21 -4.66 116.55 123.50 1wcx n ASP 185 Ca -0.17 0.25 -0.12 0.00 0.71 0.00 0.00 54.79 55.47 1wcx n ASP 185 Cb 0.53 -0.11 -0.07 0.00 -0.02 0.00 0.00 41.12 41.45 1wcx n ASP 185 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wcx s ALA 186 N -2.56 -0.87 -0.05 2.24 0.00 -0.62 -1.06 121.76 118.83 1wcx s ALA 186 Ca -0.12 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.01 1wcx s ALA 186 Cb 0.07 0.35 0.02 0.00 0.00 0.00 0.00 23.12 23.57 1wcx s ALA 186 CO 0.80 -0.44 -0.03 -1.17 0.00 0.00 0.00 175.76 174.92 1wcx s LEU 187 N -2.06 1.06 -0.16 0.00 2.96 0.28 -0.47 118.68 120.29 1wcx s LEU 187 Ca -0.05 -0.11 -0.07 0.00 -0.22 0.00 0.00 54.13 53.68 1wcx s LEU 187 Cb -0.01 -0.43 -0.04 0.00 0.50 0.00 0.00 46.19 46.21 1wcx s LEU 187 CO -0.03 -0.11 0.09 0.00 -1.32 0.00 0.00 176.35 174.98 1wcx s ALA 188 N 1.30 3.59 -0.03 5.97 0.00 -0.12 -0.15 121.76 132.31 1wcx s ALA 188 Ca -0.05 -0.71 0.06 0.00 0.00 0.00 0.00 51.96 51.26 1wcx s ALA 188 Cb -0.13 -1.95 -0.02 0.00 0.00 0.00 0.00 23.12 21.01 1wcx s ALA 188 CO -0.02 0.33 -0.20 -0.06 0.00 0.00 0.00 175.76 175.81 1wcx s PHE 189 N -0.11 2.52 -0.94 0.00 0.40 0.09 -1.29 117.98 118.66 1wcx s PHE 189 Ca 0.08 -0.29 0.08 0.00 -0.60 0.00 0.00 56.93 56.20 1wcx s PHE 189 Cb -0.12 -1.56 0.07 0.00 0.51 0.00 0.00 43.02 41.92 1wcx s PHE 189 CO 0.01 0.09 0.78 1.33 0.70 0.00 0.00 175.22 178.12 1wcx n VAL 190 N 2.33 0.07 -3.65 -0.44 0.24 -1.26 -1.77 118.33 113.85 1wcx n VAL 190 Ca -0.17 -0.54 -0.15 0.00 -2.04 0.00 0.00 64.34 61.45 1wcx n VAL 190 Cb 0.52 1.11 -0.08 0.00 -1.47 0.00 0.00 33.84 33.92 1wcx n VAL 190 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wcx s ALA 191 N -0.67 -1.39 0.00 2.33 0.00 -1.26 -4.81 121.76 115.96 1wcx s ALA 191 Ca 0.10 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1wcx s ALA 191 Cb 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.73 1wcx s ALA 191 CO 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 175.76 175.56 1wcx n ALA 192 N 1.93 1.28 0.00 0.00 0.00 -1.26 -3.51 120.51 118.94 1wcx n ALA 192 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1wcx n ALA 192 Cb 0.56 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1wcx n ALA 192 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wcx n GLN 194 N 1.83 0.00 -0.08 0.00 6.02 -1.26 -1.88 117.38 122.01 1wcx n GLN 194 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 1wcx n GLN 194 Cb 0.00 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.21 1wcx n GLN 194 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1wcx h VAL 195 N 0.00 1.28 -0.52 5.09 2.07 -1.94 -1.70 116.25 120.53 1wcx h VAL 195 Ca 0.00 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 1wcx h VAL 195 Cb 0.00 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1wcx h VAL 195 CO 0.00 0.32 0.19 -0.33 0.02 0.00 0.00 177.57 177.77 1wcx h GLU 196 N 0.21 0.79 -0.40 1.57 4.39 -1.70 -1.49 114.58 117.95 1wcx h GLU 196 Ca 0.06 -0.15 0.02 0.00 0.34 0.00 0.00 59.36 59.63 1wcx h GLU 196 Cb 0.50 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 1wcx h GLU 196 CO 0.02 0.71 0.22 0.74 -1.16 0.00 0.00 179.01 179.54 1wcx h PHE 197 N 0.70 0.41 0.05 4.33 0.05 -1.81 0.37 116.94 121.04 1wcx h PHE 197 Ca 0.17 0.01 -0.00 0.00 3.82 0.00 0.00 57.97 61.97 1wcx h PHE 197 Cb 0.23 -0.13 0.00 0.00 2.00 0.00 0.00 35.95 38.05 1wcx h PHE 197 CO 0.01 0.23 -0.02 1.25 -0.18 0.00 0.00 178.31 179.60 1wcx h LEU 198 N 0.45 -0.06 -0.86 1.54 5.85 -1.10 -1.24 115.31 119.88 1wcx h LEU 198 Ca 0.16 -0.16 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 1wcx h LEU 198 Cb 0.03 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1wcx h LEU 198 CO -0.09 0.13 -0.40 -0.26 -0.34 0.00 0.00 178.44 177.48 1wcx h PHE 199 N -0.24 0.41 0.00 1.25 -1.00 -1.06 -0.80 116.94 115.50 1wcx h PHE 199 Ca -0.01 -0.11 -0.12 0.00 2.81 0.00 0.00 57.97 60.54 1wcx h PHE 199 Cb 0.22 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.67 1wcx h PHE 199 CO -0.02 0.70 -0.56 0.93 -1.61 0.00 0.00 178.31 177.75 1wcx h GLU 200 N 0.29 0.00 -0.01 1.51 5.08 -0.21 -3.26 114.58 117.98 1wcx h GLU 200 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1wcx h GLU 200 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1wcx h GLU 200 CO 0.07 0.56 -0.57 0.41 -1.00 0.00 0.00 179.01 178.47 1wcx n GLY 201 N 0.40 -0.53 3.77 -3.84 0.00 -0.48 -4.97 105.19 99.54 1wcx n GLY 201 Ca -0.01 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 1wcx n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wcx s ALA 202 N -2.68 3.22 0.20 4.61 0.00 -0.33 -4.71 121.76 122.07 1wcx s ALA 202 Ca 0.16 1.15 -0.00 0.00 0.00 0.00 0.00 51.96 53.27 1wcx s ALA 202 Cb 0.18 -3.46 0.13 0.00 0.00 0.00 0.00 23.12 19.97 1wcx s ALA 202 CO 0.66 -0.75 1.49 -0.22 0.00 0.00 0.00 175.76 176.95 1wcx h LYS 203 N 2.64 0.41 -2.62 0.00 1.63 -1.92 -3.38 116.57 113.33 1wcx h LYS 203 Ca -0.49 -0.29 -0.60 0.00 -0.85 0.00 0.00 60.65 58.41 1wcx h LYS 203 Cb 1.24 0.05 -0.39 0.00 -0.60 0.00 0.00 32.23 32.53 1wcx h LYS 203 CO 0.62 0.91 -0.83 -3.47 -3.45 0.00 0.00 179.45 173.23 1wcx n ASP 204 N -3.89 0.83 0.02 4.20 -0.08 -1.26 -4.97 116.55 111.40 1wcx n ASP 204 Ca -0.03 -2.69 0.06 0.00 -1.51 0.00 0.00 54.79 50.61 1wcx n ASP 204 Cb 0.64 -0.63 0.47 0.00 2.34 0.00 0.00 41.12 43.95 1wcx n ASP 204 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1wcx h PRO 205 N 5.50 0.44 -0.27 -0.67 0.13 -1.87 -1.18 132.00 134.07 1wcx h PRO 205 Ca 0.22 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.30 1wcx h PRO 205 Cb 0.85 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 1wcx h PRO 205 CO 0.50 0.29 0.08 0.87 -0.23 0.00 0.00 178.00 179.51 1wcx h LYS 206 N 0.45 0.43 0.00 0.86 1.57 -1.97 0.53 116.57 118.44 1wcx h LYS 206 Ca 0.15 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1wcx h LYS 206 Cb 0.04 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1wcx h LYS 206 CO -0.03 0.50 -0.23 0.00 -0.57 0.00 0.00 179.45 179.12 1wcx h ALA 207 N 0.91 1.17 -0.15 3.86 0.00 -1.87 -1.87 119.26 121.31 1wcx h ALA 207 Ca 0.09 -0.21 -0.21 0.00 0.00 0.00 0.00 54.91 54.59 1wcx h ALA 207 Cb 0.25 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1wcx h ALA 207 CO -0.00 0.28 -0.71 1.25 0.00 0.00 0.00 179.25 180.07 1wcx h LEU 208 N 0.00 0.88 -0.47 0.00 5.85 -0.60 -1.55 115.31 119.42 1wcx h LEU 208 Ca -0.00 -0.63 -0.02 0.00 0.84 0.00 0.00 57.88 58.06 1wcx h LEU 208 Cb 0.59 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1wcx h LEU 208 CO 0.03 1.37 0.20 -0.09 -0.34 0.00 0.00 178.44 179.60 1wcx h ARG 209 N 0.46 0.70 -0.43 1.25 2.43 -0.64 -1.35 114.38 116.80 1wcx h ARG 209 Ca -0.05 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.01 1wcx h ARG 209 Cb 1.35 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 1wcx h ARG 209 CO 0.15 0.62 0.28 1.49 -1.51 0.00 0.00 179.97 181.00 1wcx h GLU 210 N 0.62 0.56 0.16 0.20 4.81 -1.30 -0.84 114.58 118.79 1wcx h GLU 210 Ca 0.16 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1wcx h GLU 210 Cb 0.18 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1wcx h GLU 210 CO -0.01 0.37 -0.15 0.00 -0.73 0.00 0.00 179.01 178.48 1wcx h ALA 211 N 1.16 -0.30 0.00 2.92 0.00 -0.93 0.20 119.26 122.30 1wcx h ALA 211 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1wcx h ALA 211 Cb -0.06 0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1wcx h ALA 211 CO -0.04 -0.69 0.00 1.28 0.00 0.00 0.00 179.25 179.80 1wcx n LEU 212 N -5.27 0.00 -0.08 0.00 4.77 -0.54 -0.82 117.00 115.06 1wcx n LEU 212 Ca -0.08 0.44 -0.07 0.00 -0.03 0.00 0.00 56.01 56.28 1wcx n LEU 212 Cb 0.19 -0.44 -0.14 0.00 -2.33 0.00 0.00 43.42 40.70 1wcx n LEU 212 CO 0.31 -0.20 -1.03 0.59 -1.33 0.00 0.00 177.39 175.72 1wcx n ASN 213 N -1.44 0.71 -0.02 -1.43 3.02 -0.34 -4.30 115.26 111.46 1wcx n ASN 213 Ca 0.05 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.62 1wcx n ASN 213 Cb 0.17 1.02 -0.10 0.00 -0.61 0.00 0.00 39.78 40.26 1wcx n ASN 213 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1wcx n THR 214 N -2.60 0.27 0.00 3.41 -2.24 0.64 -4.90 114.28 108.86 1wcx n THR 214 Ca -0.26 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1wcx n THR 214 Cb 1.01 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 1wcx n THR 214 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1wcx n ARG 215 N -2.11 2.88 -3.93 -0.78 1.85 0.00 -5.05 116.66 109.52 1wcx n ARG 215 Ca -0.08 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.42 1wcx n ARG 215 Cb 0.52 -0.56 -0.14 0.00 -1.05 0.00 0.00 32.46 31.22 1wcx n ARG 215 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1wcx s VAL 216 N -0.69 3.35 -0.11 8.89 1.01 -0.19 -4.82 120.40 127.83 1wcx s VAL 216 Ca 0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 1wcx s VAL 216 Cb 0.00 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 1wcx s VAL 216 CO 0.00 0.43 1.13 -0.54 0.00 0.00 0.00 175.10 176.11 1wcx s LYS 217 N 1.45 4.34 -0.14 2.72 1.02 -0.23 -4.21 119.74 124.69 1wcx s LYS 217 Ca 0.05 1.54 -0.21 0.00 0.02 0.00 0.00 55.97 57.37 1wcx s LYS 217 Cb -0.14 -3.59 -0.03 0.00 -0.52 0.00 0.00 37.83 33.54 1wcx s LYS 217 CO -0.03 -0.47 0.61 0.00 -0.92 0.00 0.00 175.35 174.54 1wcx s ALA 218 N 2.47 3.47 -0.11 5.17 0.00 -1.26 -0.56 121.76 130.95 1wcx s ALA 218 Ca 0.52 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1wcx s ALA 218 Cb -0.21 -2.89 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 1wcx s ALA 218 CO 0.17 -0.30 -0.10 -0.51 0.00 0.00 0.00 175.76 175.02 1wcx s LEU 219 N 1.31 2.90 -0.06 0.00 1.43 0.79 -0.27 118.68 124.79 1wcx s LEU 219 Ca 0.30 -0.20 0.05 0.00 -1.03 0.00 0.00 54.13 53.25 1wcx s LEU 219 Cb -0.16 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 1wcx s LEU 219 CO 0.12 0.24 -0.22 0.00 0.23 0.00 0.00 176.35 176.72 1wcx s ALA 220 N -0.10 1.96 -0.46 4.21 0.00 -0.34 -0.73 121.76 126.30 1wcx s ALA 220 Ca -0.01 -0.93 -0.16 0.00 0.00 0.00 0.00 51.96 50.86 1wcx s ALA 220 Cb -0.14 -0.63 0.05 0.00 0.00 0.00 0.00 23.12 22.41 1wcx s ALA 220 CO 0.03 0.36 0.43 0.08 0.00 0.00 0.00 175.76 176.66 1wcx s VAL 221 N -0.06 5.15 0.00 0.00 1.01 -0.73 0.33 120.40 126.11 1wcx s VAL 221 Ca -0.05 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1wcx s VAL 221 Cb -0.13 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.14 1wcx s VAL 221 CO 0.04 -0.55 0.00 0.61 0.00 0.00 0.00 175.10 175.20 1wcx n GLY 222 N 5.18 2.20 0.28 4.51 0.00 0.21 -4.52 105.19 113.04 1wcx n GLY 222 Ca -0.10 -1.59 0.02 0.00 0.00 0.00 0.00 46.02 44.35 1wcx n GLY 222 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1wcx h ARG 223 N 0.00 0.43 -0.40 1.61 9.65 -1.92 -0.19 114.38 123.56 1wcx h ARG 223 Ca 0.00 -0.06 -0.12 0.00 -1.10 0.00 0.00 59.98 58.70 1wcx h ARG 223 Cb 0.00 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.49 1wcx h ARG 223 CO 0.00 0.40 -0.21 0.28 2.80 0.00 0.00 179.97 183.25 1wcx h VAL 224 N 0.42 1.28 -0.60 0.20 2.07 -1.91 0.65 116.25 118.36 1wcx h VAL 224 Ca 0.10 -1.35 -0.09 0.00 0.82 0.00 0.00 66.70 66.18 1wcx h VAL 224 Cb 0.17 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1wcx h VAL 224 CO -0.00 0.45 0.01 0.74 0.02 0.00 0.00 177.57 178.79 1wcx h THR 225 N 0.67 1.26 -0.65 2.57 2.02 -1.65 -1.24 112.91 115.89 1wcx h THR 225 Ca 0.09 -1.13 -0.02 0.00 0.77 0.00 0.00 66.41 66.12 1wcx h THR 225 Cb 0.77 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 1wcx h THR 225 CO 0.06 0.41 0.34 0.00 0.37 0.00 0.00 175.52 176.70 1wcx h ALA 226 N 1.04 0.84 0.00 6.16 0.00 -0.69 -2.18 119.26 124.42 1wcx h ALA 226 Ca 0.17 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1wcx h ALA 226 Cb 0.54 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1wcx h ALA 226 CO 0.03 0.38 -0.26 -0.44 0.00 0.00 0.00 179.25 178.95 1wcx h ASP 227 N 0.89 0.00 -0.51 0.00 3.45 -0.59 -1.57 116.42 118.10 1wcx h ASP 227 Ca 0.23 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.65 1wcx h ASP 227 Cb 0.08 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.83 1wcx h ASP 227 CO -0.03 0.26 0.16 0.00 -1.57 0.00 0.00 179.24 178.06 1wcx h ALA 228 N 1.74 0.67 -0.56 3.45 0.00 -0.61 0.21 119.26 124.15 1wcx h ALA 228 Ca -0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1wcx h ALA 228 Cb 0.69 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1wcx h ALA 228 CO 0.03 0.32 0.10 -0.07 0.00 0.00 0.00 179.25 179.64 1wcx h LEU 229 N 0.69 0.89 -1.21 0.00 3.38 -0.99 -2.52 115.31 115.55 1wcx h LEU 229 Ca 0.16 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1wcx h LEU 229 Cb 0.27 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1wcx h LEU 229 CO -0.01 0.92 0.38 0.03 0.09 0.00 0.00 178.44 179.85 1wcx h ARG 230 N 0.82 0.92 0.00 1.13 3.08 -0.70 -0.64 114.38 118.99 1wcx h ARG 230 Ca 0.17 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1wcx h ARG 230 Cb 0.40 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 1wcx h ARG 230 CO 0.01 0.67 -0.03 0.93 -1.07 0.00 0.00 179.97 180.48 1wcx h GLU 231 N 0.93 0.00 -0.65 0.04 5.08 -0.53 -1.10 114.58 118.35 1wcx h GLU 231 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1wcx h GLU 231 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1wcx h GLU 231 CO -0.04 0.03 0.00 0.91 -1.00 0.00 0.00 179.01 178.91 1wcx n TRP 232 N -3.96 1.21 -0.87 4.33 7.02 -0.37 -4.93 117.44 119.87 1wcx n TRP 232 Ca -0.03 -0.51 0.00 0.00 -1.02 0.00 0.00 57.50 55.94 1wcx n TRP 232 Cb 0.11 -0.16 0.00 0.00 -2.42 0.00 0.00 31.31 28.85 1wcx n TRP 232 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1wcx n GLY 233 N 1.22 0.48 3.17 6.99 0.00 -0.41 -4.93 105.19 111.69 1wcx n GLY 233 Ca 0.23 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 1wcx n GLY 233 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wcx s VAL 234 N -2.00 2.03 -0.33 1.61 1.01 -0.48 -4.96 120.40 117.28 1wcx s VAL 234 Ca 0.00 -0.96 -0.19 0.00 0.00 0.00 0.00 61.98 60.83 1wcx s VAL 234 Cb 0.00 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 1wcx s VAL 234 CO 0.00 0.54 0.54 -0.75 0.00 0.00 0.00 175.10 175.43 1wcx s LYS 235 N 0.79 3.73 0.48 2.72 2.20 -1.26 -2.04 119.74 126.36 1wcx s LYS 235 Ca -0.08 -0.01 -0.24 0.00 -0.36 0.00 0.00 55.97 55.28 1wcx s LYS 235 Cb -0.16 -3.78 -0.08 0.00 -1.51 0.00 0.00 37.83 32.31 1wcx s LYS 235 CO -0.01 -0.60 1.30 -0.35 -0.36 0.00 0.00 175.35 175.33 1wcx n PRO 236 N 5.76 1.83 0.03 4.03 -0.04 -1.26 -4.77 135.00 140.57 1wcx n PRO 236 Ca -0.04 0.66 -0.13 0.00 -0.04 0.00 0.00 63.50 63.95 1wcx n PRO 236 Cb 0.49 -2.46 -0.01 0.00 -0.04 0.00 0.00 33.50 31.47 1wcx n PRO 236 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1wcx h PHE 237 N 1.80 0.75 -3.25 0.54 3.57 -0.98 -3.46 116.94 115.91 1wcx h PHE 237 Ca -0.49 -0.33 -0.20 0.00 3.53 0.00 0.00 57.97 60.48 1wcx h PHE 237 Cb 1.30 -0.11 -0.28 0.00 2.79 0.00 0.00 35.95 39.65 1wcx h PHE 237 CO 0.47 1.12 -0.52 -0.47 -2.23 0.00 0.00 178.31 176.67 1wcx s TYR 238 N -3.65 -0.21 -0.18 0.41 5.04 -1.21 -5.04 117.35 112.51 1wcx s TYR 238 Ca -0.07 0.53 0.01 0.00 -2.44 0.00 0.00 57.07 55.09 1wcx s TYR 238 Cb 0.10 0.03 0.03 0.00 0.35 0.00 0.00 41.96 42.47 1wcx s TYR 238 CO 0.87 -0.13 -0.13 0.08 -1.34 0.00 0.00 175.55 174.89 1wcx s VAL 239 N 0.51 1.69 0.15 3.14 1.01 -1.26 -1.20 120.40 124.44 1wcx s VAL 239 Ca -0.03 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 60.94 1wcx s VAL 239 Cb -0.05 -1.67 -0.07 0.00 0.00 0.00 0.00 36.38 34.60 1wcx s VAL 239 CO -0.02 0.32 0.52 -0.62 0.00 0.00 0.00 175.10 175.29 1wcx s ASP 240 N 1.41 6.74 0.00 3.32 2.15 0.15 -4.92 116.67 125.52 1wcx s ASP 240 Ca 0.02 0.98 0.00 0.00 0.43 0.00 0.00 52.55 53.98 1wcx s ASP 240 Cb -0.15 -2.25 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 1wcx s ASP 240 CO -0.10 0.08 0.49 -0.62 -0.17 0.00 0.00 175.17 174.86 1wcx n GLU 241 N 0.62 0.50 0.10 4.34 1.02 -1.26 0.65 120.64 126.61 1wcx n GLU 241 Ca -0.05 -0.61 0.12 0.00 -0.02 0.00 0.00 57.16 56.61 1wcx n GLU 241 Cb 0.52 -0.74 0.27 0.00 -0.02 0.00 0.00 31.44 31.47 1wcx n GLU 241 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1wcx h THR 242 N 1.07 0.00 0.00 2.62 1.35 -1.98 -3.45 112.91 112.51 1wcx h THR 242 Ca 0.00 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1wcx h THR 242 Cb 0.52 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1wcx h THR 242 CO 0.00 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.65 1wcx n GLU 243 N -2.29 -0.50 -3.57 4.72 4.71 -1.26 -4.99 120.64 117.46 1wcx n GLU 243 Ca 0.04 0.12 -0.38 0.00 -0.01 0.00 0.00 57.16 56.94 1wcx n GLU 243 Cb 0.45 -4.15 -0.06 0.00 -1.01 0.00 0.00 31.44 26.67 1wcx n GLU 243 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1wcx s ARG 244 N -0.99 3.83 0.18 3.49 3.00 -1.26 -5.01 118.95 122.19 1wcx s ARG 244 Ca 0.00 0.31 0.03 0.00 0.00 0.00 0.00 55.73 56.06 1wcx s ARG 244 Cb 0.00 -3.20 0.05 0.00 0.00 0.00 0.00 34.95 31.80 1wcx s ARG 244 CO 0.00 0.70 1.42 -0.07 0.00 0.00 0.00 175.30 177.34 1wcx h LEU 245 N 4.67 0.27 -1.52 2.53 3.38 -1.99 -3.01 115.31 119.63 1wcx h LEU 245 Ca -0.52 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.21 1wcx h LEU 245 Cb 1.22 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1wcx h LEU 245 CO 0.61 0.97 -0.07 1.23 0.09 0.00 0.00 178.44 181.27 1wcx h GLY 246 N 1.75 0.24 -1.52 0.83 0.00 -1.95 -0.52 103.07 101.89 1wcx h GLY 246 Ca -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1wcx h GLY 246 CO 0.12 0.12 0.00 -1.26 0.00 0.00 0.00 176.54 175.53 1wcx n SER 247 N -4.34 1.66 0.00 0.19 2.88 -1.14 -2.23 113.62 110.65 1wcx n SER 247 Ca -0.01 -1.63 0.00 0.00 -1.33 0.00 0.00 58.87 55.91 1wcx n SER 247 Cb 0.22 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 1wcx n SER 247 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1wcx n LEU 249 N 0.35 0.00 0.08 2.46 4.77 -0.20 -0.95 117.00 123.51 1wcx n LEU 249 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1wcx n LEU 249 Cb 0.31 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.42 1wcx n LEU 249 CO 0.00 0.00 0.30 1.56 -1.33 0.00 0.00 177.39 177.92 1wcx h GLN 250 N 0.00 0.23 -0.54 3.23 4.20 -1.69 -0.67 115.11 119.87 1wcx h GLN 250 Ca 0.00 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.45 1wcx h GLN 250 Cb 0.00 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1wcx h GLN 250 CO 0.00 0.93 0.20 0.78 -0.67 0.00 0.00 178.83 180.06 1wcx h GLY 251 N 1.70 0.88 1.09 3.46 0.00 -1.31 -1.00 103.07 107.89 1wcx h GLY 251 Ca -0.04 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 46.73 1wcx h GLY 251 CO 0.13 0.46 0.18 -2.75 0.00 0.00 0.00 176.54 174.56 1wcx h PHE 252 N 0.74 1.18 -0.28 5.60 3.57 -1.78 -1.03 116.94 124.94 1wcx h PHE 252 Ca 0.18 -0.13 0.04 0.00 3.53 0.00 0.00 57.97 61.59 1wcx h PHE 252 Cb 0.23 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.60 1wcx h PHE 252 CO 0.01 0.95 0.03 -0.22 -2.23 0.00 0.00 178.31 176.85 1wcx h LYS 253 N 1.07 0.12 0.12 1.11 3.64 -0.45 0.69 116.57 122.86 1wcx h LYS 253 Ca 0.22 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1wcx h LYS 253 Cb 0.36 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1wcx h LYS 253 CO 0.00 0.08 -0.06 -0.09 -2.27 0.00 0.00 179.45 177.11 1wcx h ARG 254 N 0.12 -0.16 -0.82 1.90 2.43 -0.89 -2.75 114.38 114.22 1wcx h ARG 254 Ca 0.13 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.40 1wcx h ARG 254 Cb 0.15 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.68 1wcx h ARG 254 CO -0.20 0.12 0.53 0.00 -1.51 0.00 0.00 179.97 178.91 1wcx h ALA 255 N 0.42 1.71 -0.30 2.80 0.00 -0.93 -1.33 119.26 121.62 1wcx h ALA 255 Ca -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1wcx h ALA 255 Cb 0.34 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1wcx h ALA 255 CO 0.03 0.13 0.17 1.25 0.00 0.00 0.00 179.25 180.82 1wcx h LEU 256 N 0.79 0.27 -0.62 0.00 6.46 -0.70 -3.03 115.31 118.48 1wcx h LEU 256 Ca 0.38 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 58.03 1wcx h LEU 256 Cb 0.41 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 1wcx h LEU 256 CO -0.15 0.20 -0.14 -0.61 -0.62 0.00 0.00 178.44 177.12 1wcx h GLN 257 N 0.35 0.94 0.00 1.25 5.75 -0.98 -2.79 115.11 119.63 1wcx h GLN 257 Ca 0.12 -0.35 0.00 0.00 -0.15 0.00 0.00 58.65 58.26 1wcx h GLN 257 Cb 0.00 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.50 1wcx h GLN 257 CO -0.06 1.01 0.00 1.17 -2.65 0.00 0.00 178.83 178.30 1wcx n LYS 258 N -4.14 0.00 0.00 1.69 3.00 -0.72 -5.13 118.16 112.86 1wcx n LYS 258 Ca 0.01 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.37 1wcx n LYS 258 Cb 0.41 -1.20 0.04 0.00 0.00 0.00 0.00 35.03 34.29 1wcx n LYS 258 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79