#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bwu s GLU 2 N 0.00 1.69 -0.23 1.43 -1.05 -1.26 -4.87 118.70 114.41 2bwu s GLU 2 Ca 0.00 -1.39 -0.12 0.00 -0.15 0.00 0.00 54.97 53.30 2bwu s GLU 2 Cb 0.00 0.48 -0.05 0.00 -0.44 0.00 0.00 34.13 34.12 2bwu s GLU 2 CO 0.00 -0.71 0.23 0.42 0.95 0.00 0.00 175.26 176.15 2bwu s ILE 3 N -3.63 5.31 0.65 1.83 -1.09 -1.26 -4.91 121.20 118.09 2bwu s ILE 3 Ca 0.24 0.33 -0.11 0.00 -2.23 0.00 0.00 60.65 58.88 2bwu s ILE 3 Cb -0.01 -3.57 -0.02 0.00 -1.58 0.00 0.00 42.46 37.28 2bwu s ILE 3 CO 0.12 0.31 1.04 -0.94 -1.23 0.00 0.00 174.94 174.24 2bwu s SER 4 N 1.10 5.87 0.24 3.58 1.04 -1.26 -4.95 113.70 119.32 2bwu s SER 4 Ca 0.11 1.51 -0.04 0.00 0.48 0.00 0.00 55.95 58.01 2bwu s SER 4 Cb -0.14 -2.48 0.44 0.00 0.10 0.00 0.00 66.02 63.94 2bwu s SER 4 CO 0.06 -1.11 1.74 0.03 0.98 0.00 0.00 173.24 174.93 2bwu h ARG 5 N -0.46 0.46 -0.62 4.02 3.08 -1.98 -2.24 114.38 116.65 2bwu h ARG 5 Ca -0.44 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.55 2bwu h ARG 5 Cb 1.20 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.12 2bwu h ARG 5 CO 0.60 0.31 0.26 1.96 -1.07 0.00 0.00 179.97 182.02 2bwu h GLN 6 N 0.48 0.90 -0.36 0.04 7.50 -1.99 -2.29 115.11 119.39 2bwu h GLN 6 Ca 0.41 -0.14 -0.03 0.00 0.50 0.00 0.00 58.65 59.39 2bwu h GLN 6 Cb 0.59 -0.16 -0.02 0.00 0.05 0.00 0.00 27.48 27.95 2bwu h GLN 6 CO -0.38 0.73 0.11 1.49 -1.50 0.00 0.00 178.83 179.27 2bwu h GLU 7 N 0.89 0.56 -0.85 1.46 4.57 -1.78 -0.55 114.58 118.88 2bwu h GLU 7 Ca 0.21 -0.12 0.01 0.00 -1.18 0.00 0.00 59.36 58.28 2bwu h GLU 7 Cb 0.15 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.62 2bwu h GLU 7 CO -0.02 0.59 0.56 0.74 -1.18 0.00 0.00 179.01 179.70 2bwu h PHE 8 N 0.43 1.05 -0.23 0.92 0.04 -1.24 -1.58 116.94 116.32 2bwu h PHE 8 Ca 0.11 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.90 2bwu h PHE 8 Cb 0.27 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 2bwu h PHE 8 CO 0.01 0.65 0.11 0.37 -0.60 0.00 0.00 178.31 178.86 2bwu h GLN 9 N 1.13 0.34 -0.81 1.51 5.75 -1.14 -2.36 115.11 119.53 2bwu h GLN 9 Ca 0.32 -0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.82 2bwu h GLN 9 Cb -0.10 -0.06 -0.06 0.00 1.07 0.00 0.00 27.48 28.33 2bwu h GLN 9 CO -0.07 0.34 0.50 0.00 -2.65 0.00 0.00 178.83 176.95 2bwu h ARG 10 N 0.25 0.91 -0.23 1.69 3.08 -0.69 -1.78 114.38 117.61 2bwu h ARG 10 Ca 0.08 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2bwu h ARG 10 Cb 0.12 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 2bwu h ARG 10 CO -0.01 0.60 0.11 0.00 -1.07 0.00 0.00 179.97 179.61 2bwu h ARG 11 N 0.94 0.33 -0.90 0.04 3.08 -1.17 -0.60 114.38 116.09 2bwu h ARG 11 Ca 0.35 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.39 2bwu h ARG 11 Cb 0.13 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 2bwu h ARG 11 CO -0.16 0.33 0.58 0.00 -1.07 0.00 0.00 179.97 179.66 2bwu h ARG 12 N 0.25 1.09 -0.32 0.04 3.08 -1.23 -1.81 114.38 115.47 2bwu h ARG 12 Ca 0.08 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 59.97 2bwu h ARG 12 Cb 0.11 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 2bwu h ARG 12 CO -0.01 0.72 -0.20 1.96 -1.07 0.00 0.00 179.97 181.36 2bwu h GLN 13 N 1.12 0.60 -0.51 0.04 1.08 -1.08 -0.93 115.11 115.42 2bwu h GLN 13 Ca 0.36 -0.22 -0.09 0.00 -1.45 0.00 0.00 58.65 57.26 2bwu h GLN 13 Cb 0.03 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 2bwu h GLN 13 CO -0.13 0.76 -0.03 0.00 -0.95 0.00 0.00 178.83 178.49 2bwu h ALA 14 N 1.25 0.99 -0.15 3.87 0.00 -0.69 0.74 119.26 125.27 2bwu h ALA 14 Ca 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2bwu h ALA 14 Cb 0.64 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2bwu h ALA 14 CO 0.05 0.61 0.01 1.25 0.00 0.00 0.00 179.25 181.17 2bwu h LEU 15 N 0.81 0.26 -0.79 0.00 5.85 -1.16 -3.18 115.31 117.10 2bwu h LEU 15 Ca 0.15 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.58 2bwu h LEU 15 Cb 0.52 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 2bwu h LEU 15 CO 0.03 0.49 0.52 0.58 -0.34 0.00 0.00 178.44 179.72 2bwu h VAL 16 N 0.01 1.20 -0.85 1.05 2.07 -0.92 -1.74 116.25 117.07 2bwu h VAL 16 Ca 0.04 -0.37 0.19 0.00 0.82 0.00 0.00 66.70 67.39 2bwu h VAL 16 Cb 0.35 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.11 2bwu h VAL 16 CO 0.01 0.19 0.57 -0.08 0.02 0.00 0.00 177.57 178.28 2bwu h GLU 17 N 1.06 0.35 0.00 1.57 4.57 -0.87 -0.96 114.58 120.30 2bwu h GLU 17 Ca 0.29 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 2bwu h GLU 17 Cb -0.12 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.39 2bwu h GLU 17 CO -0.06 0.23 -0.39 1.04 -1.18 0.00 0.00 179.01 178.65 2bwu n GLN 18 N -4.48 0.03 -2.59 1.92 6.02 -0.68 -4.91 117.38 112.69 2bwu n GLN 18 Ca 0.18 0.01 -0.33 0.00 -0.01 0.00 0.00 57.00 56.85 2bwu n GLN 18 Cb 0.68 -1.52 -0.05 0.00 1.02 0.00 0.00 30.24 30.37 2bwu n GLN 18 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2bwu s MET 19 N -3.02 3.97 0.52 -1.09 -1.94 -0.37 -5.04 119.30 112.34 2bwu s MET 19 Ca 0.11 1.18 -0.21 0.00 -1.71 0.00 0.00 55.69 55.06 2bwu s MET 19 Cb 0.17 -2.13 -0.06 0.00 2.01 0.00 0.00 34.83 34.83 2bwu s MET 19 CO 0.66 -0.27 1.22 -0.65 -0.01 0.00 0.00 175.02 175.98 2bwu s GLN 20 N -3.42 3.36 0.54 2.03 -0.21 -1.26 -5.02 119.66 115.69 2bwu s GLN 20 Ca 0.63 1.89 -0.21 0.00 0.02 0.00 0.00 55.36 57.70 2bwu s GLN 20 Cb -0.12 -2.21 -0.05 0.00 1.00 0.00 0.00 33.01 31.63 2bwu s GLN 20 CO 0.20 -0.91 1.22 -1.25 -2.12 0.00 0.00 175.29 172.44 2bwu s PRO 21 N -2.96 3.25 -0.50 2.91 0.04 -1.26 -3.62 135.00 132.86 2bwu s PRO 21 Ca 0.70 1.89 -0.01 0.00 0.04 0.00 0.00 61.00 63.62 2bwu s PRO 21 Cb -0.32 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.09 2bwu s PRO 21 CO 0.37 -1.00 0.42 0.41 0.04 0.00 0.00 177.00 177.24 2bwu n GLY 22 N 0.52 0.15 3.29 0.56 0.00 -0.01 -4.83 105.19 104.87 2bwu n GLY 22 Ca 0.11 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 2bwu n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bwu s SER 23 N -3.49 0.09 0.02 1.61 1.04 -0.55 -0.72 113.70 111.69 2bwu s SER 23 Ca 0.03 -0.89 0.02 0.00 0.48 0.00 0.00 55.95 55.59 2bwu s SER 23 Cb -0.02 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 2bwu s SER 23 CO 0.30 -0.85 -0.06 0.00 0.98 0.00 0.00 173.24 173.61 2bwu s ALA 24 N -3.97 0.44 -0.07 5.32 0.00 -1.00 -0.36 121.76 122.12 2bwu s ALA 24 Ca 0.17 -0.45 0.04 0.00 0.00 0.00 0.00 51.96 51.72 2bwu s ALA 24 Cb 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 2bwu s ALA 24 CO -0.01 0.03 -0.21 0.00 0.00 0.00 0.00 175.76 175.57 2bwu s ALA 25 N -0.71 2.32 -0.18 0.00 0.00 0.42 -0.18 121.76 123.43 2bwu s ALA 25 Ca -0.04 -1.00 -0.00 0.00 0.00 0.00 0.00 51.96 50.91 2bwu s ALA 25 Cb -0.06 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.24 2bwu s ALA 25 CO 0.00 0.39 -0.14 -0.51 0.00 0.00 0.00 175.76 175.50 2bwu s LEU 26 N -0.10 2.45 -0.16 0.00 1.43 -0.42 -1.32 118.68 120.57 2bwu s LEU 26 Ca -0.05 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 2bwu s LEU 26 Cb -0.14 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.53 2bwu s LEU 26 CO 0.04 0.03 -0.12 -0.63 0.23 0.00 0.00 176.35 175.90 2bwu s ILE 27 N 1.13 1.52 -0.04 -0.59 1.01 -0.27 -4.55 121.20 119.41 2bwu s ILE 27 Ca 0.01 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 59.93 2bwu s ILE 27 Cb -0.14 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 2bwu s ILE 27 CO -0.05 0.37 0.15 -0.36 0.00 0.00 0.00 174.94 175.04 2bwu s PHE 28 N 1.49 3.50 0.68 3.97 0.40 -1.26 -1.02 117.98 125.75 2bwu s PHE 28 Ca 0.03 0.37 -0.11 0.00 -0.60 0.00 0.00 56.93 56.62 2bwu s PHE 28 Cb -0.14 -1.84 0.00 0.00 0.51 0.00 0.00 43.02 41.55 2bwu s PHE 28 CO -0.10 0.65 1.06 0.00 0.70 0.00 0.00 175.22 177.53 2bwu s ALA 29 N -1.21 2.69 0.41 5.36 0.00 -0.38 -4.63 121.76 124.00 2bwu s ALA 29 Ca 0.23 0.12 -0.25 0.00 0.00 0.00 0.00 51.96 52.06 2bwu s ALA 29 Cb -0.12 -3.18 -0.08 0.00 0.00 0.00 0.00 23.12 19.73 2bwu s ALA 29 CO 0.13 -1.18 1.17 0.00 0.00 0.00 0.00 175.76 175.88 2bwu s ALA 30 N -2.98 3.13 0.63 0.00 0.00 -1.26 -4.83 121.76 116.45 2bwu s ALA 30 Ca 0.59 0.96 -0.14 0.00 0.00 0.00 0.00 51.96 53.37 2bwu s ALA 30 Cb -0.14 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.58 2bwu s ALA 30 CO 0.53 -0.55 1.07 -1.25 0.00 0.00 0.00 175.76 175.55 2bwu s PRO 31 N -2.36 3.12 0.67 0.00 0.04 -1.26 -4.48 135.00 130.72 2bwu s PRO 31 Ca 0.58 1.18 -0.16 0.00 0.04 0.00 0.00 61.00 62.64 2bwu s PRO 31 Cb -0.30 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.24 2bwu s PRO 31 CO 0.38 -0.97 1.17 -1.21 0.04 0.00 0.00 177.00 176.41 2bwu s GLU 32 N -4.30 2.58 -0.11 4.56 2.02 -1.26 -4.94 118.70 117.26 2bwu s GLU 32 Ca 0.63 1.65 -0.00 0.00 0.02 0.00 0.00 54.97 57.27 2bwu s GLU 32 Cb -0.16 -1.90 0.02 0.00 0.10 0.00 0.00 34.13 32.19 2bwu s GLU 32 CO 0.42 -1.47 -0.07 0.08 0.02 0.00 0.00 175.26 174.24 2bwu s VAL 33 N -2.00 0.97 0.23 2.63 1.01 -1.26 -5.09 120.40 116.90 2bwu s VAL 33 Ca 0.73 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 2bwu s VAL 33 Cb -0.26 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 35.02 2bwu s VAL 33 CO 0.40 0.36 1.40 -0.89 0.00 0.00 0.00 175.10 176.37 2bwu s THR 34 N 1.67 2.86 -0.23 3.92 2.01 -1.26 -1.31 115.64 123.29 2bwu s THR 34 Ca 0.04 0.71 -0.18 0.00 0.31 0.00 0.00 61.69 62.57 2bwu s THR 34 Cb -0.13 -3.45 -0.15 0.00 0.01 0.00 0.00 72.50 68.78 2bwu s THR 34 CO -0.07 0.11 -0.05 -1.14 -0.69 0.00 0.00 174.62 172.78 2bwu n ARG 35 N 2.49 0.57 -3.36 4.92 0.63 -0.48 -4.72 116.66 116.71 2bwu n ARG 35 Ca 0.07 0.44 0.02 0.00 -0.92 0.00 0.00 57.85 57.46 2bwu n ARG 35 Cb 0.41 -1.64 -0.02 0.00 0.45 0.00 0.00 32.46 31.66 2bwu n ARG 35 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2bwu s SER 36 N -7.00 -1.12 1.98 6.15 0.15 -1.02 -5.04 113.70 107.79 2bwu s SER 36 Ca -0.32 1.06 0.00 0.00 0.70 0.00 0.00 55.95 57.40 2bwu s SER 36 Cb 0.09 2.09 0.00 0.00 -1.71 0.00 0.00 66.02 66.49 2bwu s SER 36 CO 0.53 -0.21 0.00 0.00 1.20 0.00 0.00 173.24 174.75 2bwu n ALA 37 N 5.39 0.00 0.70 5.45 0.00 -1.26 -1.87 120.51 128.92 2bwu n ALA 37 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.50 2bwu n ALA 37 Cb 0.51 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.22 2bwu n ALA 37 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2bwu n ASP 38 N 10.25 0.62 -4.83 0.00 5.75 -1.26 -4.90 116.55 122.17 2bwu n ASP 38 Ca 0.00 0.16 -0.36 0.00 -0.01 0.00 0.00 54.79 54.58 2bwu n ASP 38 Cb 0.00 -0.04 -0.06 0.00 -1.03 0.00 0.00 41.12 39.99 2bwu n ASP 38 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2bwu s SER 39 N -3.93 6.88 0.26 -1.12 1.04 -0.78 -5.02 113.70 111.03 2bwu s SER 39 Ca 0.09 1.11 0.11 0.00 0.48 0.00 0.00 55.95 57.73 2bwu s SER 39 Cb 0.14 -2.30 -0.05 0.00 0.10 0.00 0.00 66.02 63.92 2bwu s SER 39 CO 0.68 0.17 -0.11 -1.61 0.98 0.00 0.00 173.24 173.35 2bwu s GLU 40 N -1.64 1.96 0.70 4.02 2.02 -1.26 -1.38 118.70 123.11 2bwu s GLU 40 Ca 0.34 -1.56 -0.12 0.00 0.02 0.00 0.00 54.97 53.65 2bwu s GLU 40 Cb -0.16 -1.97 0.02 0.00 0.10 0.00 0.00 34.13 32.11 2bwu s GLU 40 CO 0.19 0.36 1.07 0.71 0.02 0.00 0.00 175.26 177.61 2bwu s TYR 41 N -2.31 2.90 0.15 1.61 2.02 -0.43 -4.67 117.35 116.63 2bwu s TYR 41 Ca 0.30 1.48 -0.34 0.00 -0.37 0.00 0.00 57.07 58.13 2bwu s TYR 41 Cb -0.06 -2.97 -0.14 0.00 -0.40 0.00 0.00 41.96 38.39 2bwu s TYR 41 CO 0.17 -1.42 1.50 -2.30 -1.57 0.00 0.00 175.55 171.93 2bwu n PRO 42 N -3.06 1.90 -2.07 -1.71 -0.02 -1.26 -4.76 135.00 124.01 2bwu n PRO 42 Ca 0.08 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.83 2bwu n PRO 42 Cb 0.53 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 2bwu n PRO 42 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2bwu s TYR 43 N 0.71 3.11 -0.21 6.00 5.04 -1.26 -5.00 117.35 125.74 2bwu s TYR 43 Ca 0.79 1.01 0.01 0.00 -2.44 0.00 0.00 57.07 56.44 2bwu s TYR 43 Cb -0.74 -3.76 0.05 0.00 0.35 0.00 0.00 41.96 37.85 2bwu s TYR 43 CO 0.41 -2.53 -0.10 0.50 -1.34 0.00 0.00 175.55 172.49 2bwu s ARG 44 N 0.08 2.06 0.55 4.97 6.06 -1.26 -5.12 118.95 126.28 2bwu s ARG 44 Ca 0.61 -0.94 -0.21 0.00 -2.50 0.00 0.00 55.73 52.69 2bwu s ARG 44 Cb -0.40 -2.52 -0.05 0.00 0.06 0.00 0.00 34.95 32.04 2bwu s ARG 44 CO 0.39 -0.46 1.22 -1.14 -2.50 0.00 0.00 175.30 172.81 2bwu s GLN 45 N 1.34 3.23 0.27 5.12 2.00 -1.26 -4.78 119.66 125.59 2bwu s GLN 45 Ca -0.03 1.89 -0.30 0.00 -2.00 0.00 0.00 55.36 54.92 2bwu s GLN 45 Cb -0.17 -2.13 -0.13 0.00 0.80 0.00 0.00 33.01 31.39 2bwu s GLN 45 CO -0.08 -1.01 1.45 -1.71 -0.50 0.00 0.00 175.29 173.44 2bwu n ASN 46 N -1.17 3.08 -0.25 6.67 2.85 -1.26 -4.88 115.26 120.31 2bwu n ASN 46 Ca 0.11 1.15 -0.07 0.00 -0.11 0.00 0.00 54.58 55.66 2bwu n ASN 46 Cb 0.48 -1.48 0.04 0.00 1.24 0.00 0.00 39.78 40.06 2bwu n ASN 46 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2bwu h SER 47 N 4.17 0.97 -0.17 1.20 0.02 -1.94 0.04 113.55 117.84 2bwu h SER 47 Ca -0.46 -0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 60.22 2bwu h SER 47 Cb 1.26 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.55 2bwu h SER 47 CO 0.75 0.90 -0.23 0.44 -1.14 0.00 0.00 176.83 177.56 2bwu h ASP 48 N 0.98 0.49 -0.27 3.07 3.32 -1.95 -0.36 116.42 121.71 2bwu h ASP 48 Ca 0.22 -0.51 0.04 0.00 0.02 0.00 0.00 57.03 56.80 2bwu h ASP 48 Cb 0.26 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 2bwu h ASP 48 CO -0.01 0.91 0.03 0.15 -1.72 0.00 0.00 179.24 178.59 2bwu h PHE 49 N 0.09 0.04 -0.46 4.55 3.57 -1.80 -2.92 116.94 120.01 2bwu h PHE 49 Ca 0.02 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.57 2bwu h PHE 49 Cb 0.79 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.51 2bwu h PHE 49 CO 0.09 -0.01 0.24 2.35 -2.23 0.00 0.00 178.31 178.75 2bwu h TRP 50 N 0.12 0.45 -0.96 0.41 2.91 -0.93 -2.55 115.95 115.39 2bwu h TRP 50 Ca 0.13 0.02 0.21 0.00 1.13 0.00 0.00 58.89 60.38 2bwu h TRP 50 Cb 0.15 -0.13 -0.12 0.00 -0.51 0.00 0.00 29.16 28.55 2bwu h TRP 50 CO -0.18 0.23 0.53 -0.92 -1.03 0.00 0.00 178.44 177.07 2bwu h TYR 51 N 0.48 0.91 -0.00 2.65 3.20 -0.88 0.90 116.97 124.22 2bwu h TYR 51 Ca 0.20 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.10 2bwu h TYR 51 Cb 0.09 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.11 2bwu h TYR 51 CO -0.09 0.09 -0.38 1.19 -1.64 0.00 0.00 178.16 177.32 2bwu n PHE 52 N -4.90 0.00 0.00 -3.82 3.72 -1.00 -4.69 117.46 106.78 2bwu n PHE 52 Ca 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.64 2bwu n PHE 52 Cb 0.65 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 2bwu n PHE 52 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2bwu n THR 53 N -0.98 0.00 -2.99 4.37 -2.24 -0.89 -4.81 114.28 106.75 2bwu n THR 53 Ca 0.09 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.66 2bwu n THR 53 Cb 0.35 -0.09 0.02 0.00 -2.10 0.00 0.00 70.33 68.51 2bwu n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bwu n GLY 54 N 1.01 -0.51 3.25 3.38 0.00 0.26 -4.96 105.19 107.62 2bwu n GLY 54 Ca 0.00 0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2bwu n GLY 54 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2bwu s PHE 55 N -3.06 2.95 -0.64 1.61 5.36 -1.26 -5.02 117.98 117.92 2bwu s PHE 55 Ca 0.27 -1.20 -0.01 0.00 -0.96 0.00 0.00 56.93 55.03 2bwu s PHE 55 Cb -0.13 -2.07 0.45 0.00 -0.34 0.00 0.00 43.02 40.93 2bwu s PHE 55 CO 0.33 -0.64 1.95 -1.71 -1.46 0.00 0.00 175.22 173.69 2bwu n ASN 56 N 4.74 7.41 -4.47 6.13 5.15 -1.26 -4.79 115.26 128.17 2bwu n ASN 56 Ca -0.18 -3.79 -0.29 0.00 -0.60 0.00 0.00 54.58 49.72 2bwu n ASN 56 Cb 0.50 -0.91 -0.12 0.00 -0.53 0.00 0.00 39.78 38.72 2bwu n ASN 56 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2bwu s GLU 57 N -3.81 1.72 1.00 1.20 2.02 -1.26 -4.95 118.70 114.62 2bwu s GLU 57 Ca 0.63 -1.22 -0.15 0.00 0.02 0.00 0.00 54.97 54.24 2bwu s GLU 57 Cb 0.50 -2.07 0.20 0.00 0.10 0.00 0.00 34.13 32.85 2bwu s GLU 57 CO -0.02 0.47 1.21 -1.25 0.02 0.00 0.00 175.26 175.69 2bwu s PRO 58 N -2.18 0.41 -1.04 0.39 0.04 -1.26 -4.56 135.00 126.80 2bwu s PRO 58 Ca 0.18 -0.10 -0.12 0.00 0.04 0.00 0.00 61.00 61.00 2bwu s PRO 58 Cb -0.10 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 2bwu s PRO 58 CO 0.10 -2.62 0.81 0.39 0.04 0.00 0.00 177.00 175.72 2bwu n GLU 59 N -3.98 -1.57 -3.78 4.56 1.02 -1.26 -4.64 120.64 111.00 2bwu n GLU 59 Ca 0.12 0.74 -0.13 0.00 -0.02 0.00 0.00 57.16 57.87 2bwu n GLU 59 Cb 0.60 -4.76 -0.10 0.00 -0.02 0.00 0.00 31.44 27.15 2bwu n GLU 59 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bwu s ALA 60 N -3.35 -0.71 -0.03 0.62 0.00 -1.26 -3.16 121.76 113.87 2bwu s ALA 60 Ca 0.38 0.56 -0.01 0.00 0.00 0.00 0.00 51.96 52.89 2bwu s ALA 60 Cb -0.10 -0.23 0.03 0.00 0.00 0.00 0.00 23.12 22.82 2bwu s ALA 60 CO 0.81 -0.19 0.07 0.08 0.00 0.00 0.00 175.76 176.53 2bwu s VAL 61 N -0.53 -0.04 -0.23 0.00 1.01 -0.26 -1.25 120.40 119.11 2bwu s VAL 61 Ca -0.06 0.16 -0.10 0.00 0.00 0.00 0.00 61.98 61.98 2bwu s VAL 61 Cb -0.04 -0.13 -0.05 0.00 0.00 0.00 0.00 36.38 36.17 2bwu s VAL 61 CO 0.02 0.07 0.14 -0.22 0.00 0.00 0.00 175.10 175.11 2bwu s LEU 62 N 0.88 4.07 -0.20 3.92 2.96 -0.18 -0.52 118.68 129.60 2bwu s LEU 62 Ca -0.07 0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 53.94 2bwu s LEU 62 Cb -0.10 -2.08 0.01 0.00 0.50 0.00 0.00 46.19 44.52 2bwu s LEU 62 CO -0.03 0.09 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.27 2bwu s VAL 63 N 0.92 2.64 -0.21 1.68 1.01 0.78 -1.11 120.40 126.10 2bwu s VAL 63 Ca 0.07 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 2bwu s VAL 63 Cb -0.13 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 2bwu s VAL 63 CO 0.03 0.47 0.01 -0.76 0.00 0.00 0.00 175.10 174.85 2bwu s LEU 64 N 1.37 3.27 -0.20 3.92 1.43 -0.43 -0.56 118.68 127.46 2bwu s LEU 64 Ca 0.05 -0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 52.92 2bwu s LEU 64 Cb -0.14 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.25 2bwu s LEU 64 CO -0.09 0.03 -0.12 -0.63 0.23 0.00 0.00 176.35 175.78 2bwu s ILE 65 N 1.19 2.67 -0.42 -0.59 1.01 -0.13 -0.44 121.20 124.50 2bwu s ILE 65 Ca 0.03 -0.76 -0.12 0.00 0.00 0.00 0.00 60.65 59.80 2bwu s ILE 65 Cb -0.14 -2.19 0.06 0.00 0.01 0.00 0.00 42.46 40.19 2bwu s ILE 65 CO 0.02 0.46 0.29 -0.75 0.00 0.00 0.00 174.94 174.96 2bwu s LYS 66 N 1.37 2.80 0.02 2.79 2.20 0.52 -1.43 119.74 128.00 2bwu s LYS 66 Ca 0.05 -1.30 -0.20 0.00 -0.36 0.00 0.00 55.97 54.15 2bwu s LYS 66 Cb -0.14 -3.89 -0.20 0.00 -1.51 0.00 0.00 37.83 32.09 2bwu s LYS 66 CO -0.08 -0.90 1.18 0.77 -0.36 0.00 0.00 175.35 175.96 2bwu h SER 67 N 8.54 0.48 -0.87 1.43 0.02 -1.60 0.32 113.55 121.86 2bwu h SER 67 Ca -0.25 -0.66 0.00 0.00 -0.84 0.00 0.00 61.79 60.03 2bwu h SER 67 Cb 1.10 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.50 2bwu h SER 67 CO 0.77 1.06 0.00 -0.90 -1.14 0.00 0.00 176.83 176.63 2bwu n ASP 68 N -4.34 0.00 0.10 3.07 5.68 -1.06 -2.78 116.55 117.22 2bwu n ASP 68 Ca -0.09 -0.83 0.11 0.00 -0.50 0.00 0.00 54.79 53.48 2bwu n ASP 68 Cb 0.55 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 40.99 2bwu n ASP 68 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2bwu n ASP 69 N -0.92 0.54 -0.00 -1.12 2.03 -1.26 -3.08 116.55 112.75 2bwu n ASP 69 Ca 0.00 0.63 0.01 0.00 0.52 0.00 0.00 54.79 55.95 2bwu n ASP 69 Cb 0.00 -0.74 -0.02 0.00 -0.72 0.00 0.00 41.12 39.64 2bwu n ASP 69 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2bwu n THR 70 N -2.09 0.00 -5.01 5.18 -2.24 -1.26 -5.04 114.28 103.81 2bwu n THR 70 Ca 0.03 -0.23 -0.32 0.00 -2.27 0.00 0.00 64.05 61.26 2bwu n THR 70 Cb 0.24 0.68 -0.15 0.00 -2.10 0.00 0.00 70.33 68.99 2bwu n THR 70 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2bwu s HIS 71 N -1.81 2.65 0.11 4.78 3.76 -1.18 -5.11 115.29 118.50 2bwu s HIS 71 Ca -0.00 -0.71 -0.25 0.00 -0.15 0.00 0.00 55.06 53.95 2bwu s HIS 71 Cb 0.02 -1.73 0.08 0.00 1.11 0.00 0.00 32.58 32.06 2bwu s HIS 71 CO 0.13 -0.22 0.68 0.54 -0.85 0.00 0.00 174.74 175.02 2bwu s ASN 72 N 0.11 -0.52 0.23 1.40 2.20 -1.26 -1.76 114.94 115.34 2bwu s ASN 72 Ca -0.09 0.03 -0.16 0.00 -0.94 0.00 0.00 52.86 51.70 2bwu s ASN 72 Cb -0.15 0.54 0.01 0.00 -2.00 0.00 0.00 41.25 39.65 2bwu s ASN 72 CO 0.06 -0.86 0.54 -1.38 -2.94 0.00 0.00 177.10 172.52 2bwu s HIS 73 N -3.46 0.05 -0.06 1.54 -3.43 -0.52 -5.00 115.29 104.42 2bwu s HIS 73 Ca 0.01 -0.42 0.05 0.00 -0.80 0.00 0.00 55.06 53.90 2bwu s HIS 73 Cb -0.01 0.38 -0.00 0.00 -1.43 0.00 0.00 32.58 31.52 2bwu s HIS 73 CO -0.11 -1.01 -0.21 -1.54 -2.00 0.00 0.00 174.74 169.88 2bwu s SER 74 N -2.94 2.61 -0.08 7.38 1.04 -1.26 -0.95 113.70 119.50 2bwu s SER 74 Ca 0.14 -0.44 0.05 0.00 0.48 0.00 0.00 55.95 56.18 2bwu s SER 74 Cb -0.02 -0.83 -0.01 0.00 0.10 0.00 0.00 66.02 65.26 2bwu s SER 74 CO 0.03 0.18 -0.23 -0.69 0.98 0.00 0.00 173.24 173.52 2bwu s VAL 75 N 0.05 2.25 -0.16 5.02 1.01 0.27 -2.09 120.40 126.77 2bwu s VAL 75 Ca -0.07 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 60.89 2bwu s VAL 75 Cb -0.14 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2bwu s VAL 75 CO 0.04 0.56 -0.04 -0.22 0.00 0.00 0.00 175.10 175.45 2bwu s LEU 76 N -0.03 3.25 -0.18 3.92 2.96 -0.17 -0.16 118.68 128.27 2bwu s LEU 76 Ca -0.07 -0.13 -0.11 0.00 -0.22 0.00 0.00 54.13 53.60 2bwu s LEU 76 Cb -0.15 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 2bwu s LEU 76 CO 0.05 0.17 0.20 -0.36 -1.32 0.00 0.00 176.35 175.09 2bwu s PHE 77 N 0.37 3.44 0.23 5.38 0.08 0.32 -0.03 117.98 127.76 2bwu s PHE 77 Ca -0.04 0.45 -0.16 0.00 0.12 0.00 0.00 56.93 57.30 2bwu s PHE 77 Cb -0.14 -2.23 0.01 0.00 -0.57 0.00 0.00 43.02 40.09 2bwu s PHE 77 CO 0.03 0.29 0.53 0.54 -0.10 0.00 0.00 175.22 176.51 2bwu s ASN 78 N 0.35 -0.19 0.35 1.36 4.22 -0.29 -1.10 114.94 119.65 2bwu s ASN 78 Ca 0.12 -0.68 -0.28 0.00 -2.14 0.00 0.00 52.86 49.88 2bwu s ASN 78 Cb -0.12 0.60 -0.11 0.00 1.28 0.00 0.00 41.25 42.90 2bwu s ASN 78 CO 0.01 -1.13 1.45 -0.13 -2.04 0.00 0.00 177.10 175.26 2bwu s ARG 79 N -3.94 4.18 0.63 3.55 0.52 -1.19 -0.57 118.95 122.13 2bwu s ARG 79 Ca 0.14 2.47 -0.16 0.00 -0.52 0.00 0.00 55.73 57.67 2bwu s ARG 79 Cb -0.02 -3.00 -0.02 0.00 0.52 0.00 0.00 34.95 32.43 2bwu s ARG 79 CO 0.03 -0.45 1.09 0.54 0.02 0.00 0.00 175.30 176.53 2bwu s VAL 80 N -1.00 3.45 0.37 3.52 0.11 -1.26 -3.67 120.40 121.93 2bwu s VAL 80 Ca 0.53 0.70 -0.26 0.00 -2.93 0.00 0.00 61.98 60.02 2bwu s VAL 80 Cb -0.45 -3.22 -0.09 0.00 -1.53 0.00 0.00 36.38 31.09 2bwu s VAL 80 CO 0.59 -0.40 1.10 -0.13 -3.33 0.00 0.00 175.10 172.93 2bwu s ARG 81 N -4.03 4.24 -0.24 1.54 0.52 -1.26 -4.81 118.95 114.91 2bwu s ARG 81 Ca 0.66 1.69 -0.06 0.00 -0.52 0.00 0.00 55.73 57.51 2bwu s ARG 81 Cb -0.19 -2.74 0.12 0.00 0.52 0.00 0.00 34.95 32.66 2bwu s ARG 81 CO 0.39 -0.12 0.48 0.34 0.02 0.00 0.00 175.30 176.41 2bwu s ASP 82 N -1.26 -0.46 0.12 0.23 3.68 -1.26 -5.07 116.67 112.66 2bwu s ASP 82 Ca 0.54 0.89 -0.20 0.00 2.13 0.00 0.00 52.55 55.91 2bwu s ASP 82 Cb -0.27 1.59 -0.04 0.00 -1.45 0.00 0.00 42.92 42.74 2bwu s ASP 82 CO 0.34 -0.25 1.72 0.25 0.13 0.00 0.00 175.17 177.37 2bwu h LEU 83 N 8.12 -0.08 -0.04 -1.34 5.85 -1.99 -1.72 115.31 124.11 2bwu h LEU 83 Ca -0.18 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 2bwu h LEU 83 Cb 1.13 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 2bwu h LEU 83 CO 0.18 -0.01 0.01 0.74 -0.34 0.00 0.00 178.44 179.02 2bwu h THR 84 N 0.05 1.16 -0.07 1.05 2.02 -1.99 -0.98 112.91 114.16 2bwu h THR 84 Ca 0.08 -0.48 0.02 0.00 0.77 0.00 0.00 66.41 66.80 2bwu h THR 84 Cb 0.11 1.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.92 2bwu h THR 84 CO -0.15 0.13 0.08 0.00 0.37 0.00 0.00 175.52 175.95 2bwu h ALA 85 N 0.82 1.62 0.07 6.16 0.00 -1.94 -2.91 119.26 123.09 2bwu h ALA 85 Ca 0.01 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.57 2bwu h ALA 85 Cb 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2bwu h ALA 85 CO -0.00 -0.11 -2.00 0.39 0.00 0.00 0.00 179.25 177.53 2bwu n GLU 86 N -3.82 0.71 0.02 0.00 1.02 -0.66 -1.31 120.64 116.60 2bwu n GLU 86 Ca -0.01 0.24 0.15 0.00 -0.02 0.00 0.00 57.16 57.52 2bwu n GLU 86 Cb 0.17 -1.70 0.60 0.00 -0.02 0.00 0.00 31.44 30.50 2bwu n GLU 86 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2bwu h ILE 87 N 0.04 0.85 0.00 -3.67 2.04 -1.11 -0.24 117.51 115.41 2bwu h ILE 87 Ca -0.41 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.39 2bwu h ILE 87 Cb 2.03 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 2bwu h ILE 87 CO 0.06 0.03 -0.23 -0.50 0.00 0.00 0.00 178.15 177.51 2bwu h TRP 88 N 0.16 0.00 -0.47 1.37 4.06 -1.59 -3.43 115.95 116.06 2bwu h TRP 88 Ca 0.21 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.16 2bwu h TRP 88 Cb 0.63 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.79 2bwu h TRP 88 CO -0.00 0.00 0.00 1.19 -3.56 0.00 0.00 178.44 176.07 2bwu n PHE 89 N -4.04 0.62 0.00 0.49 3.72 -0.42 -5.07 117.46 112.75 2bwu n PHE 89 Ca -0.03 -0.39 0.00 0.00 -0.05 0.00 0.00 57.45 56.98 2bwu n PHE 89 Cb 0.12 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 2bwu n PHE 89 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bwu n GLY 90 N 1.21 -0.15 3.77 1.37 0.00 -0.10 -4.97 105.19 106.32 2bwu n GLY 90 Ca 0.18 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.04 2bwu n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bwu s ARG 91 N -1.74 3.40 0.14 1.61 0.52 -1.26 -4.38 118.95 117.24 2bwu s ARG 91 Ca 0.00 1.68 0.09 0.00 -0.52 0.00 0.00 55.73 56.97 2bwu s ARG 91 Cb 0.00 -2.08 -0.04 0.00 0.52 0.00 0.00 34.95 33.35 2bwu s ARG 91 CO 0.00 -0.83 -0.21 1.03 0.02 0.00 0.00 175.30 175.32 2bwu s ARG 92 N -3.16 1.26 0.02 3.54 0.52 -1.26 -5.07 118.95 114.80 2bwu s ARG 92 Ca 0.71 -1.33 -0.21 0.00 -0.52 0.00 0.00 55.73 54.38 2bwu s ARG 92 Cb -0.26 -1.45 -0.16 0.00 0.52 0.00 0.00 34.95 33.59 2bwu s ARG 92 CO 0.29 0.32 1.28 1.25 0.02 0.00 0.00 175.30 178.46 2bwu h LEU 93 N 3.58 0.35 0.00 2.53 5.85 -1.94 -3.47 115.31 122.22 2bwu h LEU 93 Ca -0.45 -0.54 0.04 0.00 0.84 0.00 0.00 57.88 57.78 2bwu h LEU 93 Cb 1.19 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 2bwu h LEU 93 CO 0.46 0.82 -0.06 0.61 -0.34 0.00 0.00 178.44 179.94 2bwu n GLY 94 N 0.37 -2.03 0.14 3.75 0.00 -1.24 -4.25 105.19 101.93 2bwu n GLY 94 Ca -0.07 -1.40 -0.21 0.00 0.00 0.00 0.00 46.02 44.34 2bwu n GLY 94 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2bwu h GLN 95 N 0.00 0.32 -0.93 1.61 7.50 -1.90 -3.29 115.11 118.42 2bwu h GLN 95 Ca 0.00 -0.55 0.01 0.00 0.50 0.00 0.00 58.65 58.61 2bwu h GLN 95 Cb 0.14 0.21 -0.05 0.00 0.05 0.00 0.00 27.48 27.83 2bwu h GLN 95 CO 0.00 1.23 0.62 -0.44 -1.50 0.00 0.00 178.83 178.74 2bwu h ASP 96 N 0.09 1.07 0.80 1.46 5.19 -1.92 -3.00 116.42 120.11 2bwu h ASP 96 Ca -0.35 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 2bwu h ASP 96 Cb 2.07 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 41.31 2bwu h ASP 96 CO 0.15 0.77 -0.72 0.00 -3.12 0.00 0.00 179.24 176.32 2bwu h ALA 97 N 1.34 0.53 -0.11 3.45 0.00 -1.74 -3.40 119.26 119.32 2bwu h ALA 97 Ca 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 2bwu h ALA 97 Cb -0.14 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2bwu h ALA 97 CO -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 179.25 179.16 2bwu h ALA 98 N 2.48 0.15 -0.77 0.00 0.00 -1.59 -1.88 119.26 117.65 2bwu h ALA 98 Ca 0.00 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 54.88 2bwu h ALA 98 Cb 0.76 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.40 2bwu h ALA 98 CO 0.00 -0.14 0.24 -1.35 0.00 0.00 0.00 179.25 178.00 2bwu h PRO 99 N -0.09 0.31 0.07 0.00 0.11 -1.75 -0.59 132.00 130.05 2bwu h PRO 99 Ca 0.03 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 2bwu h PRO 99 Cb 0.39 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.43 2bwu h PRO 99 CO 0.01 0.20 -0.03 1.49 -0.21 0.00 0.00 178.00 179.46 2bwu h GLU 100 N 0.32 -0.09 -0.67 1.05 4.22 -1.79 0.03 114.58 117.64 2bwu h GLU 100 Ca 0.45 0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.93 2bwu h GLU 100 Cb 0.77 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.00 2bwu h GLU 100 CO -0.50 0.48 0.40 -0.22 -2.18 0.00 0.00 179.01 176.99 2bwu h LYS 101 N -0.86 0.75 -0.01 1.92 1.63 -1.19 -3.20 116.57 115.61 2bwu h LYS 101 Ca -0.01 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2bwu h LYS 101 Cb 0.61 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 2bwu h LYS 101 CO 0.02 0.50 -0.49 1.28 -3.45 0.00 0.00 179.45 177.30 2bwu n LEU 102 N -4.72 1.49 -1.80 5.20 4.77 -0.24 -5.01 117.00 116.69 2bwu n LEU 102 Ca 0.07 -0.69 -0.13 0.00 -0.03 0.00 0.00 56.01 55.23 2bwu n LEU 102 Cb 0.11 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 2bwu n LEU 102 CO 0.32 0.30 -0.01 0.61 -1.33 0.00 0.00 177.39 177.28 2bwu n GLY 103 N 1.28 -0.01 3.92 -0.72 0.00 -0.04 -4.95 105.19 104.67 2bwu n GLY 103 Ca 0.06 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 2bwu n GLY 103 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bwu s VAL 104 N -2.89 5.13 -0.03 1.61 -7.23 -1.02 -5.01 120.40 110.97 2bwu s VAL 104 Ca 0.17 -0.86 0.12 0.00 -1.81 0.00 0.00 61.98 59.59 2bwu s VAL 104 Cb -0.07 -3.68 -0.05 0.00 0.56 0.00 0.00 36.38 33.14 2bwu s VAL 104 CO 0.20 -0.17 1.39 0.44 -0.31 0.00 0.00 175.10 176.66 2bwu h ASP 105 N 1.91 0.00 -4.70 4.85 3.32 -1.72 -3.39 116.42 116.68 2bwu h ASP 105 Ca -0.49 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.45 2bwu h ASP 105 Cb 1.21 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.55 2bwu h ASP 105 CO 0.65 0.70 -0.18 -0.60 -1.72 0.00 0.00 179.24 178.10 2bwu s ARG 106 N -2.89 0.69 -0.02 3.56 3.52 -0.91 -4.97 118.95 117.93 2bwu s ARG 106 Ca 0.03 0.09 0.01 0.00 -0.13 0.00 0.00 55.73 55.73 2bwu s ARG 106 Cb 0.09 0.32 0.01 0.00 -1.56 0.00 0.00 34.95 33.81 2bwu s ARG 106 CO 0.77 -0.18 -0.02 0.00 -0.81 0.00 0.00 175.30 175.06 2bwu s ALA 107 N -0.89 0.36 0.22 6.12 0.00 -1.26 -0.99 121.76 125.31 2bwu s ALA 107 Ca -0.10 -0.01 0.06 0.00 0.00 0.00 0.00 51.96 51.91 2bwu s ALA 107 Cb -0.04 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 2bwu s ALA 107 CO 0.04 0.01 -0.09 -0.51 0.00 0.00 0.00 175.76 175.21 2bwu s LEU 108 N 0.48 2.48 0.09 0.00 1.43 0.96 -4.88 118.68 119.24 2bwu s LEU 108 Ca -0.05 -1.09 -0.30 0.00 -1.03 0.00 0.00 54.13 51.65 2bwu s LEU 108 Cb -0.08 -0.54 -0.06 0.00 0.03 0.00 0.00 46.19 45.53 2bwu s LEU 108 CO -0.01 -0.30 1.16 0.00 0.23 0.00 0.00 176.35 177.44 2bwu s ALA 109 N -3.11 3.37 0.43 4.21 0.00 -1.26 -1.14 121.76 124.25 2bwu s ALA 109 Ca 0.24 0.82 0.11 0.00 0.00 0.00 0.00 51.96 53.13 2bwu s ALA 109 Cb 0.02 -3.42 0.96 0.00 0.00 0.00 0.00 23.12 20.69 2bwu s ALA 109 CO 0.07 -0.37 2.02 0.35 0.00 0.00 0.00 175.76 177.84 2bwu h PHE 110 N 6.35 0.45 0.00 0.00 3.57 -1.12 -0.96 116.94 125.24 2bwu h PHE 110 Ca -0.42 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.09 2bwu h PHE 110 Cb 1.21 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.80 2bwu h PHE 110 CO 0.66 0.25 0.00 0.66 -2.23 0.00 0.00 178.31 177.65 2bwu h SER 111 N 0.46 0.00 -0.64 0.41 4.64 -1.92 -1.77 113.55 114.73 2bwu h SER 111 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2bwu h SER 111 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2bwu h SER 111 CO -0.05 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.29 2bwu n GLU 112 N -2.62 2.66 -0.19 4.77 -0.58 -0.36 -4.68 120.64 119.63 2bwu n GLU 112 Ca -0.01 -2.56 0.02 0.00 -0.42 0.00 0.00 57.16 54.18 2bwu n GLU 112 Cb 0.10 -1.56 0.27 0.00 -0.57 0.00 0.00 31.44 29.69 2bwu n GLU 112 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 2bwu h ILE 113 N 4.38 1.16 0.00 -3.67 2.10 -1.38 -1.20 117.51 118.91 2bwu h ILE 113 Ca 0.00 -0.32 -0.01 0.00 1.08 0.00 0.00 64.86 65.60 2bwu h ILE 113 Cb 0.99 0.13 -0.00 0.00 -1.09 0.00 0.00 36.82 36.85 2bwu h ILE 113 CO 0.00 0.17 -0.06 0.78 -1.08 0.00 0.00 178.15 177.96 2bwu h ASN 114 N 0.95 0.00 0.77 2.19 2.35 -1.83 0.33 115.58 120.34 2bwu h ASN 114 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 2bwu h ASN 114 Cb -0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.30 2bwu h ASN 114 CO -0.06 0.06 -0.89 0.00 -1.65 0.00 0.00 177.43 174.89 2bwu n GLN 115 N -3.17 0.40 -0.04 0.81 3.00 -0.52 -4.55 117.38 113.32 2bwu n GLN 115 Ca 0.01 0.07 -0.04 0.00 -0.01 0.00 0.00 57.00 57.03 2bwu n GLN 115 Cb 0.37 -1.70 -0.05 0.00 0.00 0.00 0.00 30.24 28.86 2bwu n GLN 115 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2bwu n GLN 116 N -2.26 2.34 -0.19 -1.09 1.13 -0.79 -4.72 117.38 111.80 2bwu n GLN 116 Ca 0.02 0.01 -0.08 0.00 -1.94 0.00 0.00 57.00 55.00 2bwu n GLN 116 Cb 0.48 -1.17 0.01 0.00 0.11 0.00 0.00 30.24 29.67 2bwu n GLN 116 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2bwu h LEU 117 N 0.00 0.78 -1.91 1.08 5.85 -1.18 -2.28 115.31 117.65 2bwu h LEU 117 Ca -0.18 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 2bwu h LEU 117 Cb 1.39 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 2bwu h LEU 117 CO 0.00 0.78 -0.09 0.10 -0.34 0.00 0.00 178.44 178.90 2bwu h TYR 118 N 0.73 0.00 -0.22 1.25 -0.00 -1.83 -1.50 116.97 115.41 2bwu h TYR 118 Ca 0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 58.73 58.77 2bwu h TYR 118 Cb 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.01 2bwu h TYR 118 CO 0.02 0.09 -0.40 1.96 -0.00 0.00 0.00 178.16 179.82 2bwu h GLN 119 N 0.00 0.51 -0.00 0.10 4.20 -1.70 -0.97 115.11 117.24 2bwu h GLN 119 Ca -0.00 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.34 2bwu h GLN 119 Cb 0.17 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 2bwu h GLN 119 CO 0.01 0.82 -0.55 -0.07 -0.67 0.00 0.00 178.83 178.38 2bwu h LEU 120 N 0.42 0.00 0.00 1.46 3.38 -1.01 -3.28 115.31 116.27 2bwu h LEU 120 Ca 0.04 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2bwu h LEU 120 Cb 0.89 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2bwu h LEU 120 CO 0.08 0.55 -0.96 0.18 0.09 0.00 0.00 178.44 178.37 2bwu n LEU 121 N -3.89 0.64 -4.66 1.67 4.77 -0.66 -4.88 117.00 109.98 2bwu n LEU 121 Ca -0.01 0.09 -0.49 0.00 -0.03 0.00 0.00 56.01 55.57 2bwu n LEU 121 Cb 0.55 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 2bwu n LEU 121 CO 0.41 -0.01 1.25 -3.20 -1.33 0.00 0.00 177.39 174.51 2bwu n ASN 122 N -2.10 2.91 0.00 -1.43 5.15 -0.39 -2.22 115.26 117.18 2bwu n ASN 122 Ca 0.02 1.05 0.00 0.00 -0.60 0.00 0.00 54.58 55.05 2bwu n ASN 122 Cb 0.46 -1.35 0.00 0.00 -0.53 0.00 0.00 39.78 38.36 2bwu n ASN 122 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bwu n GLY 123 N 3.64 1.15 3.84 8.20 0.00 -0.71 -4.96 105.19 116.36 2bwu n GLY 123 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 2bwu n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bwu s LEU 124 N 0.00 3.30 -0.09 0.99 1.43 -0.94 -4.98 118.68 118.38 2bwu s LEU 124 Ca 0.00 1.57 0.03 0.00 -1.03 0.00 0.00 54.13 54.69 2bwu s LEU 124 Cb 0.00 -4.49 -0.25 0.00 0.03 0.00 0.00 46.19 41.48 2bwu s LEU 124 CO 0.00 -1.06 0.46 0.47 0.23 0.00 0.00 176.35 176.45 2bwu n ASP 125 N -2.59 1.52 -4.04 2.29 8.00 0.10 -3.16 116.55 118.66 2bwu n ASP 125 Ca 0.07 0.28 -0.18 0.00 0.71 0.00 0.00 54.79 55.67 2bwu n ASP 125 Cb 0.54 -0.45 -0.14 0.00 -0.02 0.00 0.00 41.12 41.05 2bwu n ASP 125 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bwu s VAL 126 N -2.57 0.73 -0.07 2.53 1.01 -1.07 -2.94 120.40 118.02 2bwu s VAL 126 Ca -0.15 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.32 2bwu s VAL 126 Cb 0.07 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.81 2bwu s VAL 126 CO 0.79 0.10 -0.18 0.54 0.00 0.00 0.00 175.10 176.35 2bwu s VAL 127 N -0.44 1.53 -0.26 2.92 0.11 -0.55 -2.36 120.40 121.35 2bwu s VAL 127 Ca 0.02 -0.73 -0.14 0.00 -2.93 0.00 0.00 61.98 58.20 2bwu s VAL 127 Cb -0.05 -1.35 -0.04 0.00 -1.53 0.00 0.00 36.38 33.42 2bwu s VAL 127 CO 0.00 0.44 0.32 -0.31 -3.33 0.00 0.00 175.10 172.22 2bwu s TYR 128 N 0.36 3.26 -0.13 1.54 1.51 0.74 -0.96 117.35 123.68 2bwu s TYR 128 Ca -0.13 0.36 -0.09 0.00 -1.01 0.00 0.00 57.07 56.20 2bwu s TYR 128 Cb -0.15 -2.50 0.04 0.00 -0.11 0.00 0.00 41.96 39.24 2bwu s TYR 128 CO 0.05 -0.16 0.32 -1.58 -1.11 0.00 0.00 175.55 173.07 2bwu s HIS 129 N 1.83 -0.41 -1.09 2.71 2.46 -0.25 -1.29 115.29 119.24 2bwu s HIS 129 Ca 0.13 0.95 -0.20 0.00 0.47 0.00 0.00 55.06 56.42 2bwu s HIS 129 Cb -0.16 0.14 0.09 0.00 -0.13 0.00 0.00 32.58 32.52 2bwu s HIS 129 CO 0.09 -0.24 1.45 0.00 -2.47 0.00 0.00 174.74 173.58 2bwu s ALA 130 N 0.83 3.16 0.23 1.58 0.00 -1.26 -3.91 121.76 122.39 2bwu s ALA 130 Ca -0.05 -2.67 -0.30 0.00 0.00 0.00 0.00 51.96 48.94 2bwu s ALA 130 Cb -0.06 -4.41 -0.09 0.00 0.00 0.00 0.00 23.12 18.56 2bwu s ALA 130 CO -0.06 -3.30 1.26 -1.14 0.00 0.00 0.00 175.76 172.52 2bwu s GLN 131 N 3.89 4.44 0.00 0.00 0.74 -1.26 -2.95 119.66 124.51 2bwu s GLN 131 Ca 0.45 2.01 0.00 0.00 0.05 0.00 0.00 55.36 57.87 2bwu s GLN 131 Cb -0.00 -3.18 0.00 0.00 1.10 0.00 0.00 33.01 30.93 2bwu s GLN 131 CO -0.04 -0.15 0.00 0.41 -0.55 0.00 0.00 175.29 174.96 2bwu n GLY 132 N 1.90 0.86 0.30 2.59 0.00 -1.26 -4.94 105.19 104.65 2bwu n GLY 132 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 2bwu n GLY 132 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2bwu h GLU 133 N 2.98 -0.67 -5.16 1.61 4.57 -1.98 -3.45 114.58 112.49 2bwu h GLU 133 Ca 0.00 0.05 -0.49 0.00 -1.18 0.00 0.00 59.36 57.73 2bwu h GLU 133 Cb 0.00 0.15 -0.30 0.00 -0.16 0.00 0.00 28.75 28.44 2bwu h GLU 133 CO 0.00 -0.39 -0.81 0.71 -1.18 0.00 0.00 179.01 177.34 2bwu s TYR 134 N -4.23 1.31 0.27 0.92 2.02 -1.26 -5.05 117.35 111.32 2bwu s TYR 134 Ca -0.12 -0.30 0.00 0.00 -0.37 0.00 0.00 57.07 56.28 2bwu s TYR 134 Cb 0.01 -0.87 0.37 0.00 -0.40 0.00 0.00 41.96 41.07 2bwu s TYR 134 CO 0.40 -0.07 1.72 0.00 -1.57 0.00 0.00 175.55 176.03 2bwu h ALA 135 N 6.02 1.08 -0.37 3.71 0.00 -2.00 -2.66 119.26 125.04 2bwu h ALA 135 Ca -0.34 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.16 2bwu h ALA 135 Cb 1.17 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2bwu h ALA 135 CO 0.49 0.56 -0.12 0.10 0.00 0.00 0.00 179.25 180.28 2bwu h TYR 136 N 0.54 0.72 -0.20 0.00 -0.00 -1.99 -2.02 116.97 114.02 2bwu h TYR 136 Ca 0.09 -0.12 -0.05 0.00 -0.00 0.00 0.00 58.73 58.64 2bwu h TYR 136 Cb 0.61 -0.19 -0.01 0.00 -0.00 0.00 0.00 36.73 37.15 2bwu h TYR 136 CO 0.02 0.75 -0.08 0.00 -0.00 0.00 0.00 178.16 178.85 2bwu h ALA 137 N 1.27 0.27 -1.00 0.10 0.00 -1.94 -2.18 119.26 115.79 2bwu h ALA 137 Ca 0.11 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.78 2bwu h ALA 137 Cb 0.55 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 2bwu h ALA 137 CO 0.03 0.08 0.66 -0.44 0.00 0.00 0.00 179.25 179.59 2bwu h ASP 138 N 0.10 1.10 -0.04 0.00 3.32 -1.36 -0.61 116.42 118.93 2bwu h ASP 138 Ca 0.05 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2bwu h ASP 138 Cb 0.55 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 2bwu h ASP 138 CO 0.03 0.76 0.02 0.58 -1.72 0.00 0.00 179.24 178.90 2bwu h VAL 139 N 1.28 1.00 -0.60 -1.35 2.07 -1.29 0.73 116.25 118.09 2bwu h VAL 139 Ca 0.40 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.92 2bwu h VAL 139 Cb -0.01 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 2bwu h VAL 139 CO -0.12 0.01 0.38 0.40 0.02 0.00 0.00 177.57 178.25 2bwu h ILE 140 N 0.04 1.10 -0.11 4.57 2.04 -1.02 -1.79 117.51 122.33 2bwu h ILE 140 Ca 0.01 -0.26 -0.14 0.00 1.00 0.00 0.00 64.86 65.47 2bwu h ILE 140 Cb 0.00 0.28 0.01 0.00 -0.74 0.00 0.00 36.82 36.37 2bwu h ILE 140 CO -0.01 0.14 -0.50 0.58 0.00 0.00 0.00 178.15 178.36 2bwu h VAL 141 N 0.75 1.36 -0.10 1.67 2.07 -0.97 -2.19 116.25 118.85 2bwu h VAL 141 Ca 0.23 -1.82 -0.05 0.00 0.82 0.00 0.00 66.70 65.88 2bwu h VAL 141 Cb -0.02 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 2bwu h VAL 141 CO -0.08 0.55 -0.17 0.78 0.02 0.00 0.00 177.57 178.66 2bwu h ASN 142 N 0.13 0.16 -0.21 0.57 2.35 -0.86 -1.81 115.58 115.90 2bwu h ASN 142 Ca -0.03 -0.03 -0.18 0.00 -0.55 0.00 0.00 56.30 55.50 2bwu h ASN 142 Cb 1.14 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.48 2bwu h ASN 142 CO 0.10 0.35 -0.58 -1.28 -1.65 0.00 0.00 177.43 174.37 2bwu h SER 143 N 0.16 0.86 -0.42 5.81 0.87 -1.24 -1.26 113.55 118.33 2bwu h SER 143 Ca 0.03 -0.58 -0.01 0.00 -1.23 0.00 0.00 61.79 60.00 2bwu h SER 143 Cb 0.40 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 2bwu h SER 143 CO 0.03 1.29 0.22 0.00 -0.53 0.00 0.00 176.83 177.84 2bwu h ALA 144 N 0.60 0.54 -0.19 6.23 0.00 -1.11 -2.66 119.26 122.67 2bwu h ALA 144 Ca -0.01 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 2bwu h ALA 144 Cb 1.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2bwu h ALA 144 CO 0.12 0.07 -0.37 -0.07 0.00 0.00 0.00 179.25 179.00 2bwu h LEU 145 N 0.54 0.43 -0.66 0.00 3.38 -1.33 -2.60 115.31 115.08 2bwu h LEU 145 Ca 0.15 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2bwu h LEU 145 Cb 0.07 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2bwu h LEU 145 CO -0.02 0.77 0.16 -0.33 0.09 0.00 0.00 178.44 179.11 2bwu h GLU 146 N 0.35 1.06 -0.34 1.13 4.39 -1.17 -0.90 114.58 119.10 2bwu h GLU 146 Ca 0.04 -0.25 0.04 0.00 0.34 0.00 0.00 59.36 59.52 2bwu h GLU 146 Cb 0.82 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.29 2bwu h GLU 146 CO 0.07 0.95 0.13 0.87 -1.16 0.00 0.00 179.01 179.86 2bwu h LYS 147 N 0.98 0.27 -0.36 2.33 1.57 -1.33 -1.67 116.57 118.36 2bwu h LYS 147 Ca 0.21 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 2bwu h LYS 147 Cb 0.36 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2bwu h LYS 147 CO 0.00 0.18 0.12 -0.07 -0.57 0.00 0.00 179.45 179.11 2bwu h LEU 148 N 0.28 0.52 -0.69 2.94 3.38 -1.35 -1.60 115.31 118.78 2bwu h LEU 148 Ca 0.15 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2bwu h LEU 148 Cb 0.12 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 2bwu h LEU 148 CO -0.15 0.58 0.45 0.03 0.09 0.00 0.00 178.44 179.44 2bwu h ARG 149 N 0.43 0.89 -0.05 1.13 3.08 -1.02 -2.58 114.38 116.26 2bwu h ARG 149 Ca 0.12 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2bwu h ARG 149 Cb 0.24 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2bwu h ARG 149 CO -0.00 0.59 0.00 1.63 -1.07 0.00 0.00 179.97 181.12 2bwu n LYS 150 N -4.62 1.48 -1.11 0.04 5.02 -0.64 -4.34 118.16 113.99 2bwu n LYS 150 Ca 0.06 -0.70 -0.17 0.00 -2.02 0.00 0.00 58.31 55.47 2bwu n LYS 150 Cb 0.03 -1.43 0.17 0.00 -0.02 0.00 0.00 35.03 33.78 2bwu n LYS 150 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bwu n GLY 151 N 1.08 4.83 0.20 0.72 0.00 -0.61 -4.68 105.19 106.73 2bwu n GLY 151 Ca 0.18 -1.29 0.05 0.00 0.00 0.00 0.00 46.02 44.96 2bwu n GLY 151 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bwu h SER 152 N 1.12 0.00 1.06 1.61 4.64 -1.74 -0.78 113.55 119.46 2bwu h SER 152 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 2bwu h SER 152 Cb 2.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.30 2bwu h SER 152 CO 0.86 0.33 0.00 0.03 -0.87 0.00 0.00 176.83 177.18 2bwu h ARG 153 N 0.00 0.00 -0.64 4.77 3.08 -1.89 -1.55 114.38 118.15 2bwu h ARG 153 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2bwu h ARG 153 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2bwu h ARG 153 CO 0.04 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.98 2bwu n GLN 154 N -3.08 3.88 -3.21 0.04 3.00 -0.76 -4.96 117.38 112.28 2bwu n GLN 154 Ca 0.01 -2.73 -0.23 0.00 -0.01 0.00 0.00 57.00 54.04 2bwu n GLN 154 Cb 0.31 -1.97 0.04 0.00 0.00 0.00 0.00 30.24 28.62 2bwu n GLN 154 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2bwu n ASN 155 N 0.89 -5.91 -4.86 1.08 3.02 -0.58 -5.01 115.26 103.88 2bwu n ASN 155 Ca 0.24 -0.37 -0.34 0.00 -0.03 0.00 0.00 54.58 54.08 2bwu n ASN 155 Cb 0.93 -4.75 -0.06 0.00 -0.61 0.00 0.00 39.78 35.29 2bwu n ASN 155 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2bwu s LEU 156 N -6.83 4.25 0.01 3.41 1.43 -0.37 -4.99 118.68 115.58 2bwu s LEU 156 Ca 0.39 0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.82 2bwu s LEU 156 Cb -0.18 -2.38 -0.01 0.00 0.03 0.00 0.00 46.19 43.65 2bwu s LEU 156 CO 0.48 0.31 -0.03 0.42 0.23 0.00 0.00 176.35 177.75 2bwu s THR 157 N -1.21 0.20 0.20 5.49 -4.23 -1.26 -3.71 115.64 111.13 2bwu s THR 157 Ca 0.23 -0.48 -0.10 0.00 -1.18 0.00 0.00 61.69 60.15 2bwu s THR 157 Cb -0.12 -0.25 -0.07 0.00 1.34 0.00 0.00 72.50 73.40 2bwu s THR 157 CO 0.13 -0.18 0.53 0.00 -0.54 0.00 0.00 174.62 174.56 2bwu s ALA 158 N -0.67 3.59 0.13 3.99 0.00 -1.26 -1.74 121.76 125.80 2bwu s ALA 158 Ca -0.06 -0.26 -0.31 0.00 0.00 0.00 0.00 51.96 51.33 2bwu s ALA 158 Cb -0.05 -2.43 -0.09 0.00 0.00 0.00 0.00 23.12 20.55 2bwu s ALA 158 CO -0.00 0.51 1.60 -1.25 0.00 0.00 0.00 175.76 176.61 2bwu s PRO 159 N -2.56 4.21 0.22 0.00 0.04 -1.19 -4.86 135.00 130.86 2bwu s PRO 159 Ca 0.44 2.34 0.25 0.00 0.04 0.00 0.00 61.00 64.07 2bwu s PRO 159 Cb -0.12 -3.34 0.60 0.00 0.04 0.00 0.00 34.50 31.68 2bwu s PRO 159 CO 0.21 -0.65 1.61 0.00 0.04 0.00 0.00 177.00 178.20 2bwu h ALA 160 N 7.42 0.88 -3.34 8.56 0.00 -1.78 -3.45 119.26 127.54 2bwu h ALA 160 Ca -0.43 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 53.84 2bwu h ALA 160 Cb 1.20 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.77 2bwu h ALA 160 CO 0.92 0.00 -0.69 0.99 0.00 0.00 0.00 179.25 180.47 2bwu s THR 161 N -3.14 3.70 -0.10 0.00 2.01 -1.15 -5.08 115.64 111.88 2bwu s THR 161 Ca 0.09 -0.43 0.03 0.00 0.31 0.00 0.00 61.69 61.68 2bwu s THR 161 Cb 0.11 -2.60 0.01 0.00 0.01 0.00 0.00 72.50 70.04 2bwu s THR 161 CO 0.65 0.51 -0.19 -0.32 -0.69 0.00 0.00 174.62 174.58 2bwu s MET 162 N 0.22 2.55 -0.05 4.92 1.75 -1.26 -1.48 119.30 125.95 2bwu s MET 162 Ca -0.04 -0.70 0.06 0.00 -1.25 0.00 0.00 55.69 53.76 2bwu s MET 162 Cb -0.14 -2.04 -0.01 0.00 2.84 0.00 0.00 34.83 35.48 2bwu s MET 162 CO 0.03 0.04 -0.23 0.42 -0.65 0.00 0.00 175.02 174.64 2bwu s ILE 163 N 0.68 1.88 -0.16 10.11 1.01 -0.13 -4.98 121.20 129.61 2bwu s ILE 163 Ca -0.12 -0.97 -0.29 0.00 0.00 0.00 0.00 60.65 59.26 2bwu s ILE 163 Cb -0.16 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 2bwu s ILE 163 CO 0.03 0.53 1.34 -0.62 0.00 0.00 0.00 174.94 176.21 2bwu s ASP 164 N -0.12 6.87 0.00 3.58 -1.08 -1.25 -1.09 116.67 123.58 2bwu s ASP 164 Ca -0.03 1.75 0.28 0.00 -0.52 0.00 0.00 52.55 54.03 2bwu s ASP 164 Cb -0.13 -2.54 1.11 0.00 -1.46 0.00 0.00 42.92 39.90 2bwu s ASP 164 CO 0.03 -0.82 1.83 -2.67 0.52 0.00 0.00 175.17 174.07 2bwu n TRP 165 N 6.80 0.00 -0.07 -5.34 4.27 -1.26 -4.26 117.44 117.58 2bwu n TRP 165 Ca 0.15 0.00 -0.08 0.00 -3.89 0.00 0.00 57.50 53.67 2bwu n TRP 165 Cb 0.45 -0.44 -0.01 0.00 -1.36 0.00 0.00 31.31 29.94 2bwu n TRP 165 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2bwu h ARG 166 N 0.01 0.24 -0.67 -2.67 3.08 -1.91 -0.37 114.38 112.09 2bwu h ARG 166 Ca 0.00 -0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.16 2bwu h ARG 166 Cb 0.49 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.40 2bwu h ARG 166 CO 0.00 0.16 0.20 -1.35 -1.07 0.00 0.00 179.97 177.91 2bwu h PRO 167 N 0.24 0.33 -0.16 0.04 0.11 -1.99 0.31 132.00 130.88 2bwu h PRO 167 Ca 0.11 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.19 2bwu h PRO 167 Cb 0.06 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 2bwu h PRO 167 CO -0.10 0.22 0.04 0.28 -0.21 0.00 0.00 178.00 178.23 2bwu h VAL 168 N 0.33 1.20 -0.10 3.15 2.07 -1.69 -2.10 116.25 119.11 2bwu h VAL 168 Ca 0.36 -0.64 -0.12 0.00 0.82 0.00 0.00 66.70 67.12 2bwu h VAL 168 Cb 0.54 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2bwu h VAL 168 CO -0.41 0.19 -0.47 0.58 0.02 0.00 0.00 177.57 177.49 2bwu h VAL 169 N 0.06 1.33 -0.00 2.57 2.07 -0.81 -2.35 116.25 119.12 2bwu h VAL 169 Ca 0.05 -1.66 -0.16 0.00 0.82 0.00 0.00 66.70 65.75 2bwu h VAL 169 Cb 0.26 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 2bwu h VAL 169 CO 0.00 0.50 -0.73 0.45 0.02 0.00 0.00 177.57 177.81 2bwu h HIS 170 N 0.21 0.04 -0.18 1.57 3.86 -0.37 -1.38 115.15 118.90 2bwu h HIS 170 Ca 0.01 -0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.10 2bwu h HIS 170 Cb 0.91 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.36 2bwu h HIS 170 CO 0.02 0.75 -0.33 1.49 0.86 0.00 0.00 177.93 180.72 2bwu h GLU 171 N 0.02 0.37 -0.10 2.45 4.57 -1.16 -2.04 114.58 118.69 2bwu h GLU 171 Ca -0.01 -0.15 -0.03 0.00 -1.18 0.00 0.00 59.36 57.99 2bwu h GLU 171 Cb 1.29 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.86 2bwu h GLU 171 CO 0.10 0.66 -0.04 0.52 -1.18 0.00 0.00 179.01 179.06 2bwu h MET 172 N 0.32 0.20 0.00 1.92 2.86 -1.20 -3.20 114.93 115.83 2bwu h MET 172 Ca 0.04 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2bwu h MET 172 Cb 0.73 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.39 2bwu h MET 172 CO 0.06 0.55 -0.07 0.00 1.06 0.00 0.00 176.91 178.51 2bwu h ARG 173 N -0.15 0.00 -0.06 1.72 3.08 -1.21 -2.65 114.38 115.11 2bwu h ARG 173 Ca 0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 2bwu h ARG 173 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 2bwu h ARG 173 CO 0.01 0.07 -0.07 1.25 -1.07 0.00 0.00 179.97 180.16 2bwu h LEU 174 N 0.00 0.08 -8.30 3.04 5.85 -1.36 -3.39 115.31 111.22 2bwu h LEU 174 Ca -0.00 -0.01 -0.70 0.00 0.84 0.00 0.00 57.88 58.01 2bwu h LEU 174 Cb 0.13 -0.02 -0.26 0.00 0.37 0.00 0.00 40.66 40.88 2bwu h LEU 174 CO 0.01 0.17 -0.56 -0.36 -0.34 0.00 0.00 178.44 177.35 2bwu s PHE 175 N -4.88 3.24 0.18 1.25 0.40 -1.00 -4.11 117.98 113.06 2bwu s PHE 175 Ca -0.05 -1.15 -0.26 0.00 -0.60 0.00 0.00 56.93 54.86 2bwu s PHE 175 Cb 0.16 -2.36 -0.08 0.00 0.51 0.00 0.00 43.02 41.25 2bwu s PHE 175 CO 0.70 -0.67 0.81 0.15 0.70 0.00 0.00 175.22 176.90 2bwu s LYS 176 N 1.49 4.63 0.73 0.44 3.01 0.17 -4.97 119.74 125.24 2bwu s LYS 176 Ca 0.00 1.23 -0.11 0.00 -1.01 0.00 0.00 55.97 56.08 2bwu s LYS 176 Cb -0.19 -3.27 0.04 0.00 -1.01 0.00 0.00 37.83 33.40 2bwu s LYS 176 CO 0.05 0.55 1.11 -1.54 0.51 0.00 0.00 175.35 176.03 2bwu s SER 177 N -1.10 5.12 0.21 2.83 1.04 -1.26 -4.76 113.70 115.78 2bwu s SER 177 Ca 0.37 0.97 -0.10 0.00 0.48 0.00 0.00 55.95 57.67 2bwu s SER 177 Cb -0.24 -1.67 0.28 0.00 0.10 0.00 0.00 66.02 64.49 2bwu s SER 177 CO 0.27 -1.52 1.70 -0.65 0.98 0.00 0.00 173.24 174.03 2bwu h PRO 178 N -0.76 0.23 -0.65 4.02 0.11 -1.99 -0.59 132.00 132.38 2bwu h PRO 178 Ca -0.45 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.75 2bwu h PRO 178 Cb 1.28 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.26 2bwu h PRO 178 CO 0.64 0.15 0.24 0.93 -0.21 0.00 0.00 178.00 179.76 2bwu h GLU 179 N 0.24 0.40 -0.57 1.05 5.08 -1.94 -0.52 114.58 118.32 2bwu h GLU 179 Ca 0.31 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.58 2bwu h GLU 179 Cb 0.46 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2bwu h GLU 179 CO -0.41 0.27 0.09 0.93 -1.00 0.00 0.00 179.01 178.89 2bwu h GLU 180 N 0.42 0.95 -0.57 2.33 5.08 -1.69 -2.34 114.58 118.76 2bwu h GLU 180 Ca 0.33 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2bwu h GLU 180 Cb 0.43 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 2bwu h GLU 180 CO -0.33 0.91 0.14 0.82 -1.00 0.00 0.00 179.01 179.55 2bwu h ILE 181 N 0.85 1.23 -0.62 3.13 2.04 -0.74 -0.20 117.51 123.20 2bwu h ILE 181 Ca 0.17 -0.84 -0.05 0.00 1.00 0.00 0.00 64.86 65.15 2bwu h ILE 181 Cb 0.42 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 2bwu h ILE 181 CO 0.01 0.31 0.20 0.00 0.00 0.00 0.00 178.15 178.68 2bwu h ALA 182 N 1.31 1.19 -0.02 1.87 0.00 -0.81 0.20 119.26 122.99 2bwu h ALA 182 Ca 0.18 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2bwu h ALA 182 Cb 0.30 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2bwu h ALA 182 CO -0.00 0.57 -0.00 0.28 0.00 0.00 0.00 179.25 180.10 2bwu h VAL 183 N 0.91 1.26 -0.73 0.00 2.07 -0.92 -2.55 116.25 116.29 2bwu h VAL 183 Ca 0.21 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 2bwu h VAL 183 Cb 0.25 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 2bwu h VAL 183 CO -0.01 0.21 0.35 -0.07 0.02 0.00 0.00 177.57 178.07 2bwu h LEU 184 N -0.28 0.95 -0.81 2.57 3.38 -0.91 -0.13 115.31 120.09 2bwu h LEU 184 Ca 0.01 -0.11 0.11 0.00 0.09 0.00 0.00 57.88 57.98 2bwu h LEU 184 Cb 0.34 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.77 2bwu h LEU 184 CO 0.00 0.80 0.44 -0.09 0.09 0.00 0.00 178.44 179.69 2bwu h ARG 185 N 1.04 0.69 -0.11 1.13 2.43 -0.57 0.40 114.38 119.40 2bwu h ARG 185 Ca 0.25 -0.04 -0.21 0.00 -0.81 0.00 0.00 59.98 59.17 2bwu h ARG 185 Cb 0.11 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2bwu h ARG 185 CO -0.03 0.46 -0.80 -0.09 -1.51 0.00 0.00 179.97 178.00 2bwu h ARG 186 N 0.71 0.64 -0.61 0.20 9.65 -0.92 -2.11 114.38 121.93 2bwu h ARG 186 Ca 0.41 -0.54 0.08 0.00 -1.10 0.00 0.00 59.98 58.82 2bwu h ARG 186 Cb 0.45 0.12 -0.06 0.00 -1.39 0.00 0.00 29.97 29.09 2bwu h ARG 186 CO -0.29 1.16 0.28 0.00 2.80 0.00 0.00 179.97 183.92 2bwu h ALA 187 N 0.68 0.80 -0.75 2.80 0.00 -0.68 -0.61 119.26 121.50 2bwu h ALA 187 Ca -0.05 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2bwu h ALA 187 Cb 1.41 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 2bwu h ALA 187 CO 0.15 -0.11 0.43 0.78 0.00 0.00 0.00 179.25 180.50 2bwu h GLY 188 N 0.50 1.11 0.99 0.00 0.00 -0.81 0.58 103.07 105.43 2bwu h GLY 188 Ca 0.29 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 2bwu h GLY 188 CO -0.25 0.47 0.27 0.83 0.00 0.00 0.00 176.54 177.87 2bwu h GLU 189 N 1.03 0.81 -0.11 4.80 5.08 -1.09 -0.99 114.58 124.12 2bwu h GLU 189 Ca 0.27 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2bwu h GLU 189 Cb 0.00 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 2bwu h GLU 189 CO -0.05 0.66 -0.01 0.82 -1.00 0.00 0.00 179.01 179.44 2bwu h ILE 190 N 0.76 1.26 -0.91 3.13 2.04 -0.93 -1.79 117.51 121.07 2bwu h ILE 190 Ca 0.19 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.22 2bwu h ILE 190 Cb 0.11 1.61 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 2bwu h ILE 190 CO -0.03 0.24 0.61 0.74 0.00 0.00 0.00 178.15 179.71 2bwu h THR 191 N -0.09 1.23 -0.87 -0.27 2.02 -0.85 -2.40 112.91 111.68 2bwu h THR 191 Ca 0.03 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.76 2bwu h THR 191 Cb 0.38 -0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 66.63 2bwu h THR 191 CO 0.01 0.23 0.46 0.00 0.37 0.00 0.00 175.52 176.58 2bwu h ALA 192 N 1.34 1.11 -0.63 6.16 0.00 -1.09 -2.29 119.26 123.86 2bwu h ALA 192 Ca 0.34 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2bwu h ALA 192 Cb -0.13 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.28 2bwu h ALA 192 CO -0.08 0.64 0.20 0.52 0.00 0.00 0.00 179.25 180.53 2bwu h MET 193 N 1.22 0.95 -0.64 0.00 2.07 -0.99 -0.34 114.93 117.20 2bwu h MET 193 Ca 0.30 -0.18 -0.05 0.00 -2.07 0.00 0.00 59.70 57.70 2bwu h MET 193 Cb 0.06 -0.15 -0.03 0.00 -1.87 0.00 0.00 31.60 29.61 2bwu h MET 193 CO -0.05 0.82 0.19 0.00 1.07 0.00 0.00 176.91 178.95 2bwu h ALA 194 N 1.29 0.84 -0.38 6.32 0.00 -1.13 -1.98 119.26 124.23 2bwu h ALA 194 Ca 0.21 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 2bwu h ALA 194 Cb 0.26 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2bwu h ALA 194 CO -0.01 0.52 -0.40 0.45 0.00 0.00 0.00 179.25 179.81 2bwu h HIS 195 N 0.93 1.13 -0.36 0.00 3.86 -1.01 -1.76 115.15 117.94 2bwu h HIS 195 Ca 0.21 -0.35 0.04 0.00 -1.16 0.00 0.00 60.37 59.11 2bwu h HIS 195 Cb 0.30 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.50 2bwu h HIS 195 CO 0.02 1.18 0.14 1.15 0.86 0.00 0.00 177.93 181.28 2bwu h THR 196 N 0.76 0.92 -0.62 2.45 2.02 -1.04 -2.08 112.91 115.32 2bwu h THR 196 Ca 0.06 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 67.14 2bwu h THR 196 Cb 1.00 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 2bwu h THR 196 CO 0.10 0.05 0.40 -0.09 0.37 0.00 0.00 175.52 176.36 2bwu h ARG 197 N 0.30 0.81 -0.55 6.66 2.43 -1.21 -1.30 114.38 121.53 2bwu h ARG 197 Ca 0.16 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 2bwu h ARG 197 Cb 0.12 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 2bwu h ARG 197 CO -0.15 0.54 0.36 0.00 -1.51 0.00 0.00 179.97 179.21 2bwu h ALA 198 N 1.22 0.69 -0.88 2.80 0.00 -1.18 -0.14 119.26 121.77 2bwu h ALA 198 Ca 0.23 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.15 2bwu h ALA 198 Cb -0.09 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.43 2bwu h ALA 198 CO -0.05 0.12 0.57 0.52 0.00 0.00 0.00 179.25 180.41 2bwu h MET 199 N 0.73 1.01 0.00 0.00 2.86 -1.04 -1.38 114.93 117.11 2bwu h MET 199 Ca 0.20 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.67 2bwu h MET 199 Cb -0.07 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.34 2bwu h MET 199 CO -0.05 0.67 -0.54 0.93 1.06 0.00 0.00 176.91 178.98 2bwu h GLU 200 N 1.04 0.00 0.00 1.72 5.08 -0.74 -3.31 114.58 118.38 2bwu h GLU 200 Ca 0.36 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.62 2bwu h GLU 200 Cb 0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2bwu h GLU 200 CO -0.12 0.54 -1.35 1.63 -1.00 0.00 0.00 179.01 178.71 2bwu n LYS 201 N -3.37 0.62 -1.69 2.33 4.76 -0.11 -4.75 118.16 115.95 2bwu n LYS 201 Ca 0.01 0.14 -0.42 0.00 -2.87 0.00 0.00 58.31 55.17 2bwu n LYS 201 Cb 0.68 -1.78 -0.03 0.00 -1.84 0.00 0.00 35.03 32.06 2bwu n LYS 201 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2bwu s ARG 203 N 2.73 0.60 0.23 0.00 1.81 -1.26 -4.94 118.95 118.13 2bwu s ARG 203 Ca 0.82 -0.66 -0.32 0.00 -1.72 0.00 0.00 55.73 53.85 2bwu s ARG 203 Cb -0.48 -0.48 -0.13 0.00 -0.45 0.00 0.00 34.95 33.41 2bwu s ARG 203 CO 0.37 0.11 1.45 -2.30 -0.68 0.00 0.00 175.30 174.25 2bwu n PRO 204 N 1.82 2.10 0.00 3.54 -0.02 -1.26 -2.51 135.00 138.67 2bwu n PRO 204 Ca -0.20 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2bwu n PRO 204 Cb 0.55 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 2bwu n PRO 204 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bwu n GLY 205 N 2.38 3.20 3.77 -1.23 0.00 -0.05 -4.98 105.19 108.28 2bwu n GLY 205 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 2bwu n GLY 205 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bwu s MET 206 N -0.84 2.79 0.28 1.61 -1.94 -1.04 -4.72 119.30 115.45 2bwu s MET 206 Ca 0.00 1.36 -0.05 0.00 -1.71 0.00 0.00 55.69 55.29 2bwu s MET 206 Cb 0.00 -1.95 -0.05 0.00 2.01 0.00 0.00 34.83 34.84 2bwu s MET 206 CO 0.00 -1.26 0.55 -0.06 -0.01 0.00 0.00 175.02 174.24 2bwu s PHE 207 N -2.40 3.47 0.27 -0.03 0.40 -1.26 0.10 117.98 118.53 2bwu s PHE 207 Ca 0.66 0.65 -0.00 0.00 -0.60 0.00 0.00 56.93 57.64 2bwu s PHE 207 Cb -0.20 -2.11 0.54 0.00 0.51 0.00 0.00 43.02 41.77 2bwu s PHE 207 CO 0.43 0.18 1.79 0.93 0.70 0.00 0.00 175.22 179.25 2bwu h GLU 208 N 1.72 0.74 0.00 0.44 5.08 -1.04 -1.56 114.58 119.96 2bwu h GLU 208 Ca -0.48 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.82 2bwu h GLU 208 Cb 1.19 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 2bwu h GLU 208 CO 0.66 0.49 -0.08 0.10 -1.00 0.00 0.00 179.01 179.18 2bwu h TYR 209 N 0.77 0.00 -0.74 4.33 -0.00 -1.51 -2.43 116.97 117.39 2bwu h TYR 209 Ca 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 59.17 2bwu h TYR 209 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.29 2bwu h TYR 209 CO -0.05 0.08 0.32 0.45 -0.00 0.00 0.00 178.16 178.96 2bwu h HIS 210 N 0.00 1.10 -0.21 0.10 3.86 -1.60 -1.12 115.15 117.28 2bwu h HIS 210 Ca -0.00 -0.06 -0.10 0.00 -1.16 0.00 0.00 60.37 59.04 2bwu h HIS 210 Cb 0.20 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 2bwu h HIS 210 CO 0.00 0.82 -0.31 -0.07 0.86 0.00 0.00 177.93 179.23 2bwu h LEU 211 N 1.07 0.44 -0.64 2.43 3.38 -1.52 -1.98 115.31 118.49 2bwu h LEU 211 Ca 0.25 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.10 2bwu h LEU 211 Cb 0.17 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2bwu h LEU 211 CO -0.03 0.73 0.38 -0.08 0.09 0.00 0.00 178.44 179.54 2bwu h GLU 212 N 0.37 0.72 -0.69 1.13 4.81 -1.31 -1.67 114.58 117.95 2bwu h GLU 212 Ca 0.05 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2bwu h GLU 212 Cb 0.74 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 2bwu h GLU 212 CO 0.06 0.48 0.35 0.78 -0.73 0.00 0.00 179.01 179.95 2bwu h GLY 213 N 0.74 1.04 1.03 1.92 0.00 -0.85 -1.39 103.07 105.56 2bwu h GLY 213 Ca 0.27 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 2bwu h GLY 213 CO -0.13 0.47 0.30 0.83 0.00 0.00 0.00 176.54 178.01 2bwu h GLU 214 N 0.95 1.09 -0.14 4.80 4.39 -1.15 -2.07 114.58 122.45 2bwu h GLU 214 Ca 0.24 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 2bwu h GLU 214 Cb 0.08 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.54 2bwu h GLU 214 CO -0.03 0.89 -0.01 0.82 -1.16 0.00 0.00 179.01 179.52 2bwu h ILE 215 N 1.05 1.26 -0.52 3.13 2.04 -1.02 -2.11 117.51 121.35 2bwu h ILE 215 Ca 0.24 -0.87 -0.07 0.00 1.00 0.00 0.00 64.86 65.17 2bwu h ILE 215 Cb 0.21 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 2bwu h ILE 215 CO -0.02 0.26 0.06 0.45 0.00 0.00 0.00 178.15 178.89 2bwu h HIS 216 N -0.01 0.87 -0.67 1.37 3.86 -1.26 -0.99 115.15 118.32 2bwu h HIS 216 Ca 0.04 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.12 2bwu h HIS 216 Cb 0.39 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.59 2bwu h HIS 216 CO 0.04 0.77 0.33 1.25 0.86 0.00 0.00 177.93 181.18 2bwu h HIS 217 N 0.79 0.96 -0.34 2.45 -0.00 -1.33 -1.60 115.15 116.07 2bwu h HIS 217 Ca 0.16 -0.04 -0.08 0.00 -0.00 0.00 0.00 60.37 60.40 2bwu h HIS 217 Cb 0.39 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.50 2bwu h HIS 217 CO 0.02 0.71 -0.12 1.49 -0.00 0.00 0.00 177.93 180.04 2bwu h GLU 218 N 0.93 0.67 -0.28 5.26 4.57 -0.90 -1.95 114.58 122.88 2bwu h GLU 218 Ca 0.23 -0.27 0.07 0.00 -1.18 0.00 0.00 59.36 58.20 2bwu h GLU 218 Cb 0.11 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.60 2bwu h GLU 218 CO -0.03 0.86 -0.21 0.74 -1.18 0.00 0.00 179.01 179.19 2bwu h PHE 219 N 0.45 -0.55 -0.93 0.92 0.04 -1.11 -2.82 116.94 112.94 2bwu h PHE 219 Ca 0.08 0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.89 2bwu h PHE 219 Cb 0.63 0.28 -0.05 0.00 2.20 0.00 0.00 35.95 39.02 2bwu h PHE 219 CO 0.05 -0.29 0.61 -0.97 -0.60 0.00 0.00 178.31 177.11 2bwu h ASN 220 N -0.19 1.08 1.19 2.17 -0.73 -0.94 -1.21 115.58 116.95 2bwu h ASN 220 Ca 0.15 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.28 2bwu h ASN 220 Cb 0.42 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 38.74 2bwu h ASN 220 CO -0.39 0.79 0.00 0.08 -0.37 0.00 0.00 177.43 177.54 2bwu h ARG 221 N 1.27 0.00 -0.43 6.67 0.11 -1.09 -1.74 114.38 119.17 2bwu h ARG 221 Ca 0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.42 2bwu h ARG 221 Cb -0.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 30.95 2bwu h ARG 221 CO -0.07 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.72 2bwu n HIS 222 N -3.08 0.57 -0.17 4.08 8.25 -1.05 -4.95 115.22 118.87 2bwu n HIS 222 Ca 0.01 -0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.19 2bwu n HIS 222 Cb 0.34 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.45 2bwu n HIS 222 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bwu n GLY 223 N 1.42 0.69 3.38 -1.41 0.00 -0.65 -5.03 105.19 103.60 2bwu n GLY 223 Ca 0.19 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 2bwu n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bwu s ALA 224 N -2.22 3.63 0.24 4.61 0.00 -0.48 -4.86 121.76 122.67 2bwu s ALA 224 Ca 0.00 -2.77 -0.03 0.00 0.00 0.00 0.00 51.96 49.16 2bwu s ALA 224 Cb 0.00 -3.68 0.26 0.00 0.00 0.00 0.00 23.12 19.70 2bwu s ALA 224 CO 0.00 -2.52 1.69 0.00 0.00 0.00 0.00 175.76 174.93 2bwu h ARG 225 N 8.60 0.77 -6.77 0.00 3.08 -1.79 -2.70 114.38 115.57 2bwu h ARG 225 Ca -0.02 -0.26 -0.69 0.00 0.07 0.00 0.00 59.98 59.08 2bwu h ARG 225 Cb 1.05 -0.06 -0.22 0.00 0.08 0.00 0.00 29.97 30.82 2bwu h ARG 225 CO 0.99 0.86 -0.84 0.71 -1.07 0.00 0.00 179.97 180.61 2bwu s TYR 226 N -4.77 2.41 0.66 3.04 2.02 -1.26 -4.78 117.35 114.68 2bwu s TYR 226 Ca -0.09 -0.34 -0.14 0.00 -0.37 0.00 0.00 57.07 56.13 2bwu s TYR 226 Cb 0.14 -1.34 0.00 0.00 -0.40 0.00 0.00 41.96 40.36 2bwu s TYR 226 CO 0.82 0.29 1.09 -2.14 -1.57 0.00 0.00 175.55 174.05 2bwu s PRO 227 N -1.80 2.85 0.16 -1.71 0.02 -1.26 -1.32 135.00 131.93 2bwu s PRO 227 Ca 0.15 1.29 0.26 0.00 0.02 0.00 0.00 61.00 62.71 2bwu s PRO 227 Cb -0.10 -1.96 0.70 0.00 0.02 0.00 0.00 34.50 33.15 2bwu s PRO 227 CO 0.06 -1.20 1.64 -1.13 -0.33 0.00 0.00 177.00 176.05 2bwu n SER 228 N -2.53 0.71 -3.55 2.53 3.41 -0.51 -4.55 113.62 109.13 2bwu n SER 228 Ca 0.10 0.41 -0.11 0.00 -0.26 0.00 0.00 58.87 59.01 2bwu n SER 228 Cb 0.52 -0.45 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 2bwu n SER 228 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2bwu s TYR 229 N -3.11 -0.43 -0.06 7.33 1.13 -1.26 -4.76 117.35 116.19 2bwu s TYR 229 Ca 0.10 0.15 -0.29 0.00 -1.41 0.00 0.00 57.07 55.61 2bwu s TYR 229 Cb 0.13 0.59 -0.07 0.00 -1.10 0.00 0.00 41.96 41.52 2bwu s TYR 229 CO 0.63 -0.95 1.87 -0.80 -2.51 0.00 0.00 175.55 173.79 2bwu s ASN 230 N -2.80 6.34 0.29 -0.18 0.01 -1.26 -4.74 114.94 112.60 2bwu s ASN 230 Ca 0.04 2.29 -0.30 0.00 -0.71 0.00 0.00 52.86 54.18 2bwu s ASN 230 Cb -0.02 -2.53 -0.11 0.00 0.41 0.00 0.00 41.25 39.00 2bwu s ASN 230 CO -0.07 -1.19 1.60 -0.89 -1.51 0.00 0.00 177.10 175.04 2bwu s THR 231 N 5.04 2.06 -0.24 1.60 2.01 -1.26 -4.95 115.64 119.90 2bwu s THR 231 Ca 0.84 0.05 -0.06 0.00 0.31 0.00 0.00 61.69 62.82 2bwu s THR 231 Cb -0.36 -3.03 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 2bwu s THR 231 CO 0.36 0.01 0.04 -0.63 -0.69 0.00 0.00 174.62 173.70 2bwu s ILE 232 N 0.08 4.08 -0.43 1.82 1.01 -0.18 -4.65 121.20 122.94 2bwu s ILE 232 Ca 0.64 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 61.06 2bwu s ILE 232 Cb -0.48 -2.89 0.12 0.00 0.01 0.00 0.00 42.46 39.22 2bwu s ILE 232 CO 0.47 0.37 0.20 -0.69 0.00 0.00 0.00 174.94 175.29 2bwu s VAL 233 N 1.50 1.71 -0.44 2.92 1.01 -1.26 -1.13 120.40 124.71 2bwu s VAL 233 Ca 0.06 -2.53 -0.08 0.00 0.00 0.00 0.00 61.98 59.42 2bwu s VAL 233 Cb -0.15 -2.22 0.10 0.00 0.00 0.00 0.00 36.38 34.12 2bwu s VAL 233 CO 0.02 -0.80 0.28 -0.83 0.00 0.00 0.00 175.10 173.77 2bwu s GLY 234 N 0.46 2.00 0.22 4.51 0.00 -0.09 -4.54 107.32 109.87 2bwu s GLY 234 Ca 0.15 -2.39 -0.09 0.00 0.00 0.00 0.00 44.72 42.39 2bwu s GLY 234 CO -0.04 1.04 0.53 -1.35 0.00 0.00 0.00 173.10 173.27 2bwu s SER 235 N 2.29 6.62 1.96 1.64 1.04 -1.26 -1.47 113.70 124.53 2bwu s SER 235 Ca 0.05 0.90 0.00 0.00 0.48 0.00 0.00 55.95 57.38 2bwu s SER 235 Cb -0.24 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.66 2bwu s SER 235 CO -0.01 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.77 2bwu n GLY 236 N -0.06 3.54 0.28 7.32 0.00 -0.18 -1.87 105.19 114.22 2bwu n GLY 236 Ca -0.00 -0.12 0.16 0.00 0.00 0.00 0.00 46.02 46.06 2bwu n GLY 236 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2bwu h GLU 237 N 0.00 0.00 0.00 1.61 5.08 -1.92 -2.37 114.58 116.98 2bwu h GLU 237 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2bwu h GLU 237 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2bwu h GLU 237 CO 0.00 0.06 -0.09 -0.91 -1.00 0.00 0.00 179.01 177.08 2bwu h ASN 238 N 0.00 0.00 0.54 1.42 2.35 -1.66 -2.06 115.58 116.17 2bwu h ASN 238 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2bwu h ASN 238 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2bwu h ASN 238 CO 0.01 0.09 0.00 1.23 -1.65 0.00 0.00 177.43 177.10 2bwu h GLY 239 N 0.94 0.00 1.99 2.83 0.00 -1.43 -2.58 103.07 104.82 2bwu h GLY 239 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2bwu h GLY 239 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 2bwu s ILE 241 N -2.99 5.17 0.14 0.00 1.01 -0.97 -4.99 121.20 118.57 2bwu s ILE 241 Ca 0.14 0.57 -0.13 0.00 0.00 0.00 0.00 60.65 61.22 2bwu s ILE 241 Cb 0.18 -3.71 0.01 0.00 0.01 0.00 0.00 42.46 38.96 2bwu s ILE 241 CO 0.50 0.15 1.63 -0.07 0.00 0.00 0.00 174.94 177.14 2bwu h LEU 242 N 8.62 0.75 -5.28 2.97 3.38 -1.86 -3.08 115.31 120.81 2bwu h LEU 242 Ca -0.31 -0.26 -0.62 0.00 0.09 0.00 0.00 57.88 56.78 2bwu h LEU 242 Cb 1.16 -0.20 -0.40 0.00 0.09 0.00 0.00 40.66 41.31 2bwu h LEU 242 CO 0.65 0.82 -0.43 1.41 0.09 0.00 0.00 178.44 180.97 2bwu n HIS 243 N -4.44 3.81 -2.27 1.13 8.25 -1.26 -5.04 115.22 115.40 2bwu n HIS 243 Ca 0.01 -3.68 -0.43 0.00 -0.26 0.00 0.00 57.72 53.36 2bwu n HIS 243 Cb 0.25 -0.52 -0.02 0.00 1.12 0.00 0.00 29.99 30.81 2bwu n HIS 243 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2bwu s TYR 244 N -3.59 2.50 0.00 4.41 5.04 -1.17 -4.88 117.35 119.66 2bwu s TYR 244 Ca 0.48 0.71 0.00 0.00 -2.44 0.00 0.00 57.07 55.82 2bwu s TYR 244 Cb 0.29 -3.71 0.00 0.00 0.35 0.00 0.00 41.96 38.89 2bwu s TYR 244 CO -0.15 -2.45 0.52 0.25 -1.34 0.00 0.00 175.55 172.38 2bwu n THR 245 N 5.60 0.26 -0.31 4.34 -2.24 -1.26 -4.11 114.28 116.56 2bwu n THR 245 Ca 0.15 -0.45 -0.05 0.00 -2.27 0.00 0.00 64.05 61.44 2bwu n THR 245 Cb 0.44 1.09 0.08 0.00 -2.10 0.00 0.00 70.33 69.84 2bwu n THR 245 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2bwu h GLU 246 N 0.00 1.21 -6.85 -0.78 3.07 -1.89 -3.47 114.58 105.88 2bwu h GLU 246 Ca 0.00 -0.17 -0.57 0.00 -0.50 0.00 0.00 59.36 58.12 2bwu h GLU 246 Cb 0.39 -0.22 -0.21 0.00 -0.84 0.00 0.00 28.75 27.87 2bwu h GLU 246 CO 0.00 0.93 -0.89 0.09 -1.40 0.00 0.00 179.01 177.74 2bwu n ASN 247 N -4.32 -1.53 -0.21 1.42 3.02 -1.26 -4.86 115.26 107.51 2bwu n ASN 247 Ca 0.08 -1.11 0.08 0.00 -0.03 0.00 0.00 54.58 53.61 2bwu n ASN 247 Cb 0.13 -2.38 -0.04 0.00 -0.61 0.00 0.00 39.78 36.88 2bwu n ASN 247 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2bwu n GLU 248 N -4.37 1.64 -3.76 3.52 0.28 -1.26 -1.39 120.64 115.31 2bwu n GLU 248 Ca -0.08 -0.47 -0.31 0.00 -0.16 0.00 0.00 57.16 56.14 2bwu n GLU 248 Cb 0.57 -1.29 -0.04 0.00 1.43 0.00 0.00 31.44 32.11 2bwu n GLU 248 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2bwu s GLU 250 N -2.66 4.28 -0.10 0.00 2.12 -1.26 -0.65 118.70 120.43 2bwu s GLU 250 Ca 0.39 2.20 -0.27 0.00 0.36 0.00 0.00 54.97 57.65 2bwu s GLU 250 Cb -0.12 -3.20 -0.02 0.00 0.26 0.00 0.00 34.13 31.05 2bwu s GLU 250 CO 0.26 -0.49 0.88 -1.64 -0.54 0.00 0.00 175.26 173.73 2bwu s MET 251 N 0.90 4.41 -0.12 4.30 -1.94 0.11 -4.89 119.30 122.07 2bwu s MET 251 Ca 0.66 1.17 -0.04 0.00 -1.71 0.00 0.00 55.69 55.76 2bwu s MET 251 Cb -0.40 -3.52 -0.04 0.00 2.01 0.00 0.00 34.83 32.89 2bwu s MET 251 CO 0.32 -0.19 0.04 1.03 -0.01 0.00 0.00 175.02 176.21 2bwu s ARG 252 N 1.61 3.32 0.16 2.03 1.81 -1.26 -0.87 118.95 125.75 2bwu s ARG 252 Ca 0.44 -0.34 -0.34 0.00 -1.72 0.00 0.00 55.73 53.76 2bwu s ARG 252 Cb -0.18 -2.96 -0.14 0.00 -0.45 0.00 0.00 34.95 31.21 2bwu s ARG 252 CO 0.18 0.61 1.50 -3.47 -0.68 0.00 0.00 175.30 173.43 2bwu n ASP 253 N 2.47 2.75 0.00 0.23 -0.08 -1.26 -2.13 116.55 118.52 2bwu n ASP 253 Ca -0.18 1.10 0.00 0.00 -1.51 0.00 0.00 54.79 54.20 2bwu n ASP 253 Cb 0.54 -1.38 0.00 0.00 2.34 0.00 0.00 41.12 42.61 2bwu n ASP 253 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2bwu n GLY 254 N 2.99 3.13 3.93 0.27 0.00 -1.26 -5.02 105.19 109.23 2bwu n GLY 254 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 2bwu n GLY 254 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bwu s ASP 255 N -1.23 6.32 0.30 1.61 1.01 -0.91 -4.98 116.67 118.80 2bwu s ASP 255 Ca 0.00 0.51 -0.04 0.00 0.71 0.00 0.00 52.55 53.74 2bwu s ASP 255 Cb 0.00 -2.06 -0.05 0.00 1.01 0.00 0.00 42.92 41.83 2bwu s ASP 255 CO 0.00 -0.28 0.55 -0.76 0.21 0.00 0.00 175.17 174.89 2bwu s LEU 256 N -4.16 4.04 -0.08 1.23 1.43 -1.26 -1.30 118.68 118.58 2bwu s LEU 256 Ca 0.41 0.65 0.02 0.00 -1.03 0.00 0.00 54.13 54.18 2bwu s LEU 256 Cb -0.10 -3.48 0.01 0.00 0.03 0.00 0.00 46.19 42.66 2bwu s LEU 256 CO 0.35 -0.22 -0.13 0.54 0.23 0.00 0.00 176.35 177.12 2bwu s VAL 257 N -2.14 1.23 -0.30 -1.59 0.11 0.34 -1.01 120.40 117.03 2bwu s VAL 257 Ca 0.43 -0.52 -0.10 0.00 -2.93 0.00 0.00 61.98 58.86 2bwu s VAL 257 Cb -0.10 -1.13 -0.02 0.00 -1.53 0.00 0.00 36.38 33.60 2bwu s VAL 257 CO 0.32 0.38 0.17 -0.22 -3.33 0.00 0.00 175.10 172.42 2bwu s LEU 258 N 0.78 4.09 -0.27 2.54 0.20 -0.54 -1.51 118.68 123.97 2bwu s LEU 258 Ca -0.12 -0.36 -0.07 0.00 0.69 0.00 0.00 54.13 54.27 2bwu s LEU 258 Cb -0.16 -2.04 -0.01 0.00 -0.43 0.00 0.00 46.19 43.55 2bwu s LEU 258 CO 0.02 -0.15 0.07 -0.63 -0.29 0.00 0.00 176.35 175.37 2bwu s ILE 259 N 1.67 4.05 -0.30 6.68 1.01 0.59 -0.92 121.20 133.98 2bwu s ILE 259 Ca 0.06 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.24 2bwu s ILE 259 Cb -0.17 -2.99 0.07 0.00 0.01 0.00 0.00 42.46 39.38 2bwu s ILE 259 CO 0.08 0.21 -0.02 -0.62 0.00 0.00 0.00 174.94 174.59 2bwu s ASP 260 N 1.54 4.72 0.01 3.58 -1.08 -0.29 -1.01 116.67 124.16 2bwu s ASP 260 Ca 0.04 -1.55 -0.12 0.00 -0.52 0.00 0.00 52.55 50.40 2bwu s ASP 260 Cb -0.16 -1.64 0.01 0.00 -1.46 0.00 0.00 42.92 39.67 2bwu s ASP 260 CO 0.02 -0.28 0.25 0.00 0.52 0.00 0.00 175.17 175.68 2bwu s ALA 261 N 1.12 -0.57 -0.21 3.66 0.00 -0.53 -1.01 121.76 124.22 2bwu s ALA 261 Ca -0.03 0.02 -0.19 0.00 0.00 0.00 0.00 51.96 51.77 2bwu s ALA 261 Cb -0.20 0.18 0.06 0.00 0.00 0.00 0.00 23.12 23.16 2bwu s ALA 261 CO -0.04 -0.31 0.56 0.20 0.00 0.00 0.00 175.76 176.18 2bwu s GLY 262 N -1.68 -0.43 0.48 0.00 0.00 -1.26 -1.83 107.32 102.60 2bwu s GLY 262 Ca -0.10 1.65 -0.01 0.00 0.00 0.00 0.00 44.72 46.26 2bwu s GLY 262 CO 0.00 1.46 0.73 0.00 0.00 0.00 0.00 173.10 175.29 2bwu s GLU 264 N -4.66 2.68 -0.21 0.00 2.12 -0.44 -1.29 118.70 116.89 2bwu s GLU 264 Ca 0.50 -1.10 0.02 0.00 0.36 0.00 0.00 54.97 54.74 2bwu s GLU 264 Cb -0.10 -3.15 0.04 0.00 0.26 0.00 0.00 34.13 31.18 2bwu s GLU 264 CO 0.40 -0.52 -0.15 -0.47 -0.54 0.00 0.00 175.26 173.98 2bwu s TYR 265 N 1.32 2.90 -1.43 5.30 5.04 0.23 -4.37 117.35 126.34 2bwu s TYR 265 Ca -0.02 -1.89 -0.08 0.00 -2.44 0.00 0.00 57.07 52.63 2bwu s TYR 265 Cb -0.18 -1.87 0.05 0.00 0.35 0.00 0.00 41.96 40.30 2bwu s TYR 265 CO -0.02 -0.82 0.64 1.63 -1.34 0.00 0.00 175.55 175.64 2bwu n LYS 266 N 4.56 -4.46 0.00 4.97 4.76 -1.26 -1.13 118.16 125.60 2bwu n LYS 266 Ca -0.17 0.67 0.00 0.00 -2.87 0.00 0.00 58.31 55.93 2bwu n LYS 266 Cb 0.46 -5.48 0.00 0.00 -1.84 0.00 0.00 35.03 28.18 2bwu n LYS 266 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2bwu n GLY 267 N -1.42 3.29 3.85 0.72 0.00 -1.26 -5.00 105.19 105.37 2bwu n GLY 267 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 2bwu n GLY 267 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bwu s TYR 268 N -2.18 3.67 -0.17 1.61 1.51 -0.28 -4.48 117.35 117.03 2bwu s TYR 268 Ca 0.00 0.96 -0.15 0.00 -1.01 0.00 0.00 57.07 56.87 2bwu s TYR 268 Cb 0.00 -2.27 -0.04 0.00 -0.11 0.00 0.00 41.96 39.53 2bwu s TYR 268 CO 0.00 0.57 0.35 0.00 -1.11 0.00 0.00 175.55 175.37 2bwu s ALA 269 N -1.23 3.56 0.46 3.71 0.00 -0.34 -0.60 121.76 127.33 2bwu s ALA 269 Ca 0.29 -0.44 -0.06 0.00 0.00 0.00 0.00 51.96 51.75 2bwu s ALA 269 Cb -0.16 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 2bwu s ALA 269 CO 0.16 -0.05 0.77 0.20 0.00 0.00 0.00 175.76 176.84 2bwu s GLY 270 N 0.70 1.55 -0.29 0.00 0.00 -0.41 -4.71 107.32 104.15 2bwu s GLY 270 Ca 0.19 -0.48 0.02 0.00 0.00 0.00 0.00 44.72 44.44 2bwu s GLY 270 CO 0.06 -0.32 0.53 0.00 0.00 0.00 0.00 173.10 173.37 2bwu s ALA 271 N -2.67 -1.96 0.01 3.20 0.00 -1.26 -3.97 121.76 115.10 2bwu s ALA 271 Ca 0.47 1.18 0.06 0.00 0.00 0.00 0.00 51.96 53.68 2bwu s ALA 271 Cb -0.10 -2.21 -0.02 0.00 0.00 0.00 0.00 23.12 20.79 2bwu s ALA 271 CO 0.43 -1.56 -0.19 0.42 0.00 0.00 0.00 175.76 174.86 2bwu s ILE 272 N 2.75 1.53 -0.07 0.00 1.01 -0.76 -4.39 121.20 121.27 2bwu s ILE 272 Ca 0.14 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.88 2bwu s ILE 272 Cb -0.13 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 41.04 2bwu s ILE 272 CO -0.23 0.33 -0.19 -0.89 0.00 0.00 0.00 174.94 173.95 2bwu s THR 273 N -0.58 1.65 0.00 2.92 2.01 -1.16 -1.45 115.64 119.02 2bwu s THR 273 Ca 0.07 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.30 2bwu s THR 273 Cb -0.08 -1.43 -0.01 0.00 0.01 0.00 0.00 72.50 70.99 2bwu s THR 273 CO 0.00 0.47 -0.10 -0.13 -0.69 0.00 0.00 174.62 174.17 2bwu s ARG 274 N 0.23 0.79 -0.06 4.92 1.81 -0.18 -1.35 118.95 125.12 2bwu s ARG 274 Ca -0.11 -0.45 0.06 0.00 -1.72 0.00 0.00 55.73 53.52 2bwu s ARG 274 Cb -0.15 -0.76 -0.01 0.00 -0.45 0.00 0.00 34.95 33.59 2bwu s ARG 274 CO 0.05 0.20 -0.25 0.99 -0.68 0.00 0.00 175.30 175.61 2bwu s THR 275 N -0.42 2.07 0.10 0.02 2.01 -1.22 -0.30 115.64 117.91 2bwu s THR 275 Ca 0.02 -1.06 -0.21 0.00 0.31 0.00 0.00 61.69 60.75 2bwu s THR 275 Cb -0.05 -1.75 0.05 0.00 0.01 0.00 0.00 72.50 70.77 2bwu s THR 275 CO -0.00 0.57 0.52 0.72 -0.69 0.00 0.00 174.62 175.74 2bwu s PHE 276 N -0.14 -0.41 0.03 4.92 -0.71 -0.57 -4.97 117.98 116.13 2bwu s PHE 276 Ca -0.04 0.29 -0.30 0.00 -1.04 0.00 0.00 56.93 55.84 2bwu s PHE 276 Cb -0.14 0.39 -0.05 0.00 -1.21 0.00 0.00 43.02 42.01 2bwu s PHE 276 CO 0.04 -0.72 1.20 -1.25 -1.34 0.00 0.00 175.22 173.15 2bwu s PRO 277 N -3.18 4.41 0.33 1.99 0.04 -1.26 -0.51 135.00 136.83 2bwu s PRO 277 Ca -0.01 1.74 0.11 0.00 0.04 0.00 0.00 61.00 62.88 2bwu s PRO 277 Cb -0.00 -3.41 0.92 0.00 0.04 0.00 0.00 34.50 32.05 2bwu s PRO 277 CO -0.08 -0.30 1.74 0.28 0.04 0.00 0.00 177.00 178.68 2bwu h VAL 278 N 4.65 0.54 -0.46 -0.36 2.07 -1.50 -1.02 116.25 120.16 2bwu h VAL 278 Ca -0.40 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.93 2bwu h VAL 278 Cb 1.20 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2bwu h VAL 278 CO 0.83 0.10 0.00 -0.46 0.02 0.00 0.00 177.57 178.06 2bwu n ASN 279 N -4.85 2.65 0.00 0.57 0.23 -1.26 -4.17 115.26 108.44 2bwu n ASN 279 Ca 0.27 -1.97 0.00 0.00 -0.53 0.00 0.00 54.58 52.35 2bwu n ASN 279 Cb 0.76 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 2bwu n ASN 279 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2bwu n GLY 280 N 1.30 0.67 2.73 4.83 0.00 -0.39 -5.01 105.19 109.32 2bwu n GLY 280 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 2bwu n GLY 280 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bwu s LYS 281 N -0.05 0.01 0.28 1.61 2.47 -1.26 -4.57 119.74 118.23 2bwu s LYS 281 Ca 0.00 0.34 -0.29 0.00 -1.56 0.00 0.00 55.97 54.45 2bwu s LYS 281 Cb 0.00 -0.75 -0.10 0.00 -1.46 0.00 0.00 37.83 35.52 2bwu s LYS 281 CO 0.00 -0.42 1.34 -0.06 0.16 0.00 0.00 175.35 176.37 2bwu s PHE 282 N 2.22 3.09 0.79 4.03 0.08 -1.26 -4.86 117.98 122.07 2bwu s PHE 282 Ca 0.04 1.27 -0.12 0.00 0.12 0.00 0.00 56.93 58.24 2bwu s PHE 282 Cb -0.13 -3.70 0.06 0.00 -0.57 0.00 0.00 43.02 38.68 2bwu s PHE 282 CO -0.06 -2.08 1.12 0.95 -0.10 0.00 0.00 175.22 175.06 2bwu s THR 283 N -0.54 2.80 0.16 0.64 -4.23 -1.26 -4.85 115.64 108.35 2bwu s THR 283 Ca 0.53 0.26 -0.16 0.00 -1.18 0.00 0.00 61.69 61.14 2bwu s THR 283 Cb -0.40 -3.15 0.03 0.00 1.34 0.00 0.00 72.50 70.32 2bwu s THR 283 CO 0.47 -0.34 1.74 -0.61 -0.54 0.00 0.00 174.62 175.34 2bwu h GLN 284 N -0.99 0.25 -0.68 3.99 4.15 -1.99 0.14 115.11 119.97 2bwu h GLN 284 Ca -0.47 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 58.95 2bwu h GLN 284 Cb 1.29 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.89 2bwu h GLN 284 CO 0.63 0.16 0.45 0.00 -1.93 0.00 0.00 178.83 178.14 2bwu h ALA 285 N 1.24 0.87 -0.35 3.38 0.00 -1.94 -0.76 119.26 121.70 2bwu h ALA 285 Ca 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2bwu h ALA 285 Cb 0.15 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2bwu h ALA 285 CO -0.18 0.28 0.14 1.96 0.00 0.00 0.00 179.25 181.45 2bwu h GLN 286 N 0.92 0.51 -0.97 0.00 4.20 -1.79 -2.81 115.11 115.17 2bwu h GLN 286 Ca 0.25 -0.09 0.04 0.00 0.06 0.00 0.00 58.65 58.92 2bwu h GLN 286 Cb -0.09 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 27.55 2bwu h GLN 286 CO -0.06 0.50 0.64 0.00 -0.67 0.00 0.00 178.83 179.23 2bwu h ARG 287 N 0.41 1.17 -0.86 1.46 2.47 -0.64 -0.47 114.38 117.93 2bwu h ARG 287 Ca 0.12 -0.07 0.02 0.00 -1.26 0.00 0.00 59.98 58.78 2bwu h ARG 287 Cb 0.17 -0.26 -0.05 0.00 -1.65 0.00 0.00 29.97 28.18 2bwu h ARG 287 CO -0.01 0.77 0.57 0.93 0.56 0.00 0.00 179.97 182.79 2bwu h GLU 288 N 1.20 1.10 0.13 0.04 5.08 -0.89 -0.34 114.58 120.90 2bwu h GLU 288 Ca 0.39 -0.07 -0.25 0.00 -1.00 0.00 0.00 59.36 58.44 2bwu h GLU 288 Cb 0.05 -0.25 0.03 0.00 0.50 0.00 0.00 28.75 29.08 2bwu h GLU 288 CO -0.13 0.73 -1.05 0.82 -1.00 0.00 0.00 179.01 178.38 2bwu h ILE 289 N 1.13 1.37 -0.82 3.13 1.08 -1.36 -3.32 117.51 118.73 2bwu h ILE 289 Ca 0.33 -2.46 0.05 0.00 -0.39 0.00 0.00 64.86 62.39 2bwu h ILE 289 Cb -0.08 2.89 -0.06 0.00 -3.07 0.00 0.00 36.82 36.51 2bwu h ILE 289 CO -0.09 0.73 0.51 0.22 -0.69 0.00 0.00 178.15 178.82 2bwu h TYR 290 N -0.00 0.94 -0.10 1.37 3.20 -0.88 -2.45 116.97 119.04 2bwu h TYR 290 Ca -0.17 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.67 2bwu h TYR 290 Cb 1.78 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.73 2bwu h TYR 290 CO 0.15 0.50 -0.20 -0.44 -1.64 0.00 0.00 178.16 176.52 2bwu h ASP 291 N 0.95 0.16 -0.12 -2.11 5.19 -1.18 0.52 116.42 119.83 2bwu h ASP 291 Ca 0.35 -0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.69 2bwu h ASP 291 Cb 0.12 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 39.58 2bwu h ASP 291 CO -0.15 0.38 -0.04 0.40 -3.12 0.00 0.00 179.24 176.71 2bwu h ILE 292 N 0.16 1.30 -0.44 0.35 2.04 -1.54 -1.21 117.51 118.17 2bwu h ILE 292 Ca 0.03 -1.02 -0.03 0.00 1.00 0.00 0.00 64.86 64.84 2bwu h ILE 292 Cb 0.46 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 2bwu h ILE 292 CO 0.03 0.29 0.16 0.58 0.00 0.00 0.00 178.15 179.22 2bwu h VAL 293 N -0.09 1.21 -0.65 1.67 2.07 -1.16 -2.01 116.25 117.29 2bwu h VAL 293 Ca 0.03 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 2bwu h VAL 293 Cb 0.48 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 2bwu h VAL 293 CO 0.01 0.24 0.32 0.25 0.02 0.00 0.00 177.57 178.41 2bwu h LEU 294 N 0.57 0.85 -0.85 2.57 5.85 -0.93 -1.15 115.31 122.22 2bwu h LEU 294 Ca 0.15 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2bwu h LEU 294 Cb 0.22 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2bwu h LEU 294 CO -0.01 0.74 0.47 -0.08 -0.34 0.00 0.00 178.44 179.21 2bwu h GLU 295 N 0.90 1.19 -0.55 1.25 4.81 -1.15 0.91 114.58 121.93 2bwu h GLU 295 Ca 0.22 -0.14 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 2bwu h GLU 295 Cb 0.11 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 2bwu h GLU 295 CO -0.03 0.87 0.32 0.77 -0.73 0.00 0.00 179.01 180.21 2bwu h SER 296 N 1.19 0.50 0.06 1.04 0.02 -1.05 -0.44 113.55 114.86 2bwu h SER 296 Ca 0.30 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.26 2bwu h SER 296 Cb 0.03 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.48 2bwu h SER 296 CO -0.05 0.34 -0.03 0.25 -1.14 0.00 0.00 176.83 176.21 2bwu h LEU 297 N 0.62 -0.06 -0.85 5.07 5.85 -0.83 -2.19 115.31 122.92 2bwu h LEU 297 Ca 0.23 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 2bwu h LEU 297 Cb 0.07 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 2bwu h LEU 297 CO -0.12 0.25 0.40 -0.33 -0.34 0.00 0.00 178.44 178.30 2bwu h GLU 298 N -0.38 1.23 -0.32 1.25 5.08 -0.73 -0.80 114.58 119.91 2bwu h GLU 298 Ca -0.01 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 2bwu h GLU 298 Cb 0.34 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2bwu h GLU 298 CO 0.01 0.95 0.12 1.15 -1.00 0.00 0.00 179.01 180.24 2bwu h THR 299 N 1.22 1.19 -0.58 1.13 2.02 -1.14 -2.46 112.91 114.28 2bwu h THR 299 Ca 0.29 -0.60 0.06 0.00 0.77 0.00 0.00 66.41 66.93 2bwu h THR 299 Cb 0.13 0.99 -0.06 0.00 -1.74 0.00 0.00 68.15 67.48 2bwu h THR 299 CO -0.03 0.21 0.28 0.28 0.37 0.00 0.00 175.52 176.62 2bwu h SER 300 N 0.36 0.38 0.07 4.18 0.02 -0.92 -0.71 113.55 116.94 2bwu h SER 300 Ca 0.10 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 2bwu h SER 300 Cb 0.21 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2bwu h SER 300 CO -0.01 0.24 -0.12 -0.07 -1.14 0.00 0.00 176.83 175.73 2bwu h LEU 301 N 0.52 0.11 -0.32 5.07 3.38 -1.10 -0.47 115.31 122.50 2bwu h LEU 301 Ca 0.27 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 58.04 2bwu h LEU 301 Cb 0.23 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2bwu h LEU 301 CO -0.21 0.25 -0.54 0.03 0.09 0.00 0.00 178.44 178.07 2bwu h ARG 302 N 0.12 0.86 0.12 1.13 3.08 -0.89 -3.37 114.38 115.43 2bwu h ARG 302 Ca 0.02 -0.54 -0.29 0.00 0.07 0.00 0.00 59.98 59.24 2bwu h ARG 302 Cb 0.30 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 2bwu h ARG 302 CO 0.02 1.17 -1.42 -0.07 -1.07 0.00 0.00 179.97 178.61 2bwu h LEU 303 N 0.66 0.39 -9.43 3.04 3.38 -0.48 -3.46 115.31 109.42 2bwu h LEU 303 Ca 0.02 -0.49 -0.53 0.00 0.09 0.00 0.00 57.88 56.97 2bwu h LEU 303 Cb 1.14 -0.13 0.02 0.00 0.09 0.00 0.00 40.66 41.78 2bwu h LEU 303 CO 0.12 1.40 1.04 -0.31 0.09 0.00 0.00 178.44 180.78 2bwu s TYR 304 N -2.63 2.24 0.07 1.13 2.02 -0.25 -4.92 117.35 115.01 2bwu s TYR 304 Ca -0.07 0.20 -0.27 0.00 -0.37 0.00 0.00 57.07 56.56 2bwu s TYR 304 Cb 0.07 -4.01 0.08 0.00 -0.40 0.00 0.00 41.96 37.71 2bwu s TYR 304 CO 0.86 -4.13 1.01 -0.98 -1.57 0.00 0.00 175.55 170.74 2bwu s ARG 305 N 2.96 0.94 0.35 -0.62 1.70 -1.26 -3.74 118.95 119.28 2bwu s ARG 305 Ca 0.76 -0.48 -0.29 0.00 -0.47 0.00 0.00 55.73 55.25 2bwu s ARG 305 Cb -0.40 0.35 -0.11 0.00 -0.57 0.00 0.00 34.95 34.21 2bwu s ARG 305 CO 0.33 -0.43 1.51 -2.30 -1.08 0.00 0.00 175.30 173.34 2bwu n PRO 306 N -0.40 2.67 0.00 3.89 -0.02 -1.26 -3.10 135.00 136.77 2bwu n PRO 306 Ca -0.07 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 2bwu n PRO 306 Cb 0.61 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 2bwu n PRO 306 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bwu n GLY 307 N 0.96 1.72 0.39 -1.23 0.00 -0.42 -4.97 105.19 101.64 2bwu n GLY 307 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 2bwu n GLY 307 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2bwu n THR 308 N -1.88 0.00 -3.98 2.61 5.66 -1.18 -4.78 114.28 110.73 2bwu n THR 308 Ca 0.00 -0.20 -0.09 0.00 -3.05 0.00 0.00 64.05 60.71 2bwu n THR 308 Cb 0.00 -0.82 -0.08 0.00 -1.55 0.00 0.00 70.33 67.88 2bwu n THR 308 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2bwu s SER 309 N -1.35 0.18 0.33 1.09 1.04 -1.26 -0.13 113.70 113.60 2bwu s SER 309 Ca 0.05 -0.88 0.01 0.00 0.48 0.00 0.00 55.95 55.61 2bwu s SER 309 Cb -0.00 0.34 0.56 0.00 0.10 0.00 0.00 66.02 67.02 2bwu s SER 309 CO 0.03 -0.77 1.99 0.40 0.98 0.00 0.00 173.24 175.88 2bwu h ILE 310 N 2.76 1.18 -0.42 -1.02 2.04 -1.76 -2.43 117.51 117.86 2bwu h ILE 310 Ca -0.33 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.13 2bwu h ILE 310 Cb 1.20 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 2bwu h ILE 310 CO 0.55 0.18 0.07 0.25 0.00 0.00 0.00 178.15 179.21 2bwu h LEU 311 N 0.95 0.67 -0.41 1.44 5.85 -1.61 -0.11 115.31 122.08 2bwu h LEU 311 Ca 0.25 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2bwu h LEU 311 Cb -0.09 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 2bwu h LEU 311 CO -0.05 0.76 0.11 -0.08 -0.34 0.00 0.00 178.44 178.84 2bwu h GLU 312 N 0.56 0.64 -0.27 1.25 4.81 -1.80 -2.10 114.58 117.67 2bwu h GLU 312 Ca 0.13 -0.15 -0.15 0.00 -0.13 0.00 0.00 59.36 59.06 2bwu h GLU 312 Cb 0.37 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2bwu h GLU 312 CO 0.01 0.65 -0.44 0.28 -0.73 0.00 0.00 179.01 178.78 2bwu h VAL 313 N 0.52 1.30 -0.74 0.32 2.07 -1.40 -2.70 116.25 115.61 2bwu h VAL 313 Ca 0.13 -1.63 0.07 0.00 0.82 0.00 0.00 66.70 66.09 2bwu h VAL 313 Cb 0.29 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 2bwu h VAL 313 CO -0.00 0.52 0.49 0.74 0.02 0.00 0.00 177.57 179.33 2bwu h THR 314 N 0.54 1.01 -0.65 2.57 2.02 -0.88 -1.82 112.91 115.70 2bwu h THR 314 Ca 0.04 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 2bwu h THR 314 Cb 0.98 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 2bwu h THR 314 CO 0.09 0.14 0.36 1.23 0.37 0.00 0.00 175.52 177.71 2bwu h GLY 315 N 0.75 0.96 1.82 2.16 0.00 -1.04 -0.83 103.07 106.89 2bwu h GLY 315 Ca 0.32 -0.41 -0.18 0.00 0.00 0.00 0.00 47.33 47.06 2bwu h GLY 315 CO -0.11 0.40 -0.82 0.83 0.00 0.00 0.00 176.54 176.83 2bwu h GLU 316 N 0.90 0.16 -0.13 4.80 4.39 -1.32 -2.75 114.58 120.63 2bwu h GLU 316 Ca 0.23 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 2bwu h GLU 316 Cb 0.02 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2bwu h GLU 316 CO -0.04 0.90 -0.05 0.28 -1.16 0.00 0.00 179.01 178.94 2bwu h VAL 317 N 0.10 1.30 -0.67 3.13 2.07 -1.00 -2.33 116.25 118.85 2bwu h VAL 317 Ca -0.03 -1.04 0.12 0.00 0.82 0.00 0.00 66.70 66.56 2bwu h VAL 317 Cb 1.43 1.72 -0.09 0.00 -1.52 0.00 0.00 31.29 32.84 2bwu h VAL 317 CO 0.12 0.30 0.23 0.58 0.02 0.00 0.00 177.57 178.83 2bwu h VAL 318 N -0.06 0.69 -0.11 2.57 2.07 -1.16 0.05 116.25 120.29 2bwu h VAL 318 Ca 0.03 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.43 2bwu h VAL 318 Cb 0.49 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2bwu h VAL 318 CO 0.02 0.07 0.04 -0.09 0.02 0.00 0.00 177.57 177.63 2bwu h ARG 319 N 0.39 0.09 -0.85 1.57 2.43 -1.40 -0.18 114.38 116.43 2bwu h ARG 319 Ca 0.36 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.58 2bwu h ARG 319 Cb 0.51 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.98 2bwu h ARG 319 CO -0.37 0.06 0.53 0.82 -1.51 0.00 0.00 179.97 179.50 2bwu h ILE 320 N 0.09 1.05 0.14 1.20 2.04 -0.83 -1.28 117.51 119.93 2bwu h ILE 320 Ca 0.05 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 2bwu h ILE 320 Cb 0.02 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 2bwu h ILE 320 CO -0.05 0.18 -0.07 0.24 0.00 0.00 0.00 178.15 178.45 2bwu h MET 321 N 0.97 -0.18 -0.99 2.37 2.86 -0.61 -1.41 114.93 117.94 2bwu h MET 321 Ca 0.37 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 58.03 2bwu h MET 321 Cb 0.15 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.80 2bwu h MET 321 CO -0.17 0.22 0.65 0.28 1.06 0.00 0.00 176.91 178.96 2bwu h VAL 322 N -0.65 1.24 -0.46 -2.22 2.07 -1.04 -0.32 116.25 114.87 2bwu h VAL 322 Ca -0.02 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 2bwu h VAL 322 Cb 0.49 -0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 2bwu h VAL 322 CO 0.03 0.24 0.19 0.28 0.02 0.00 0.00 177.57 178.34 2bwu h SER 323 N 1.33 0.63 -0.58 0.57 0.02 -1.21 -1.45 113.55 112.86 2bwu h SER 323 Ca 0.37 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 61.07 2bwu h SER 323 Cb -0.14 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.22 2bwu h SER 323 CO -0.08 0.62 0.03 1.23 -1.14 0.00 0.00 176.83 177.48 2bwu h GLY 324 N 0.61 1.08 2.00 -3.77 0.00 -0.79 -2.69 103.07 99.50 2bwu h GLY 324 Ca 0.16 -0.78 -0.12 0.00 0.00 0.00 0.00 47.33 46.59 2bwu h GLY 324 CO -0.01 0.72 -0.56 1.41 0.00 0.00 0.00 176.54 178.09 2bwu h LEU 325 N 0.89 0.00 -0.44 3.11 3.38 -0.94 -2.66 115.31 118.65 2bwu h LEU 325 Ca 0.17 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 2bwu h LEU 325 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2bwu h LEU 325 CO 0.02 0.56 -0.14 0.58 0.09 0.00 0.00 178.44 179.55 2bwu h VAL 326 N 0.00 1.27 -0.02 1.22 2.07 -1.20 -0.41 116.25 119.18 2bwu h VAL 326 Ca -0.01 -1.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.22 2bwu h VAL 326 Cb 1.00 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 2bwu h VAL 326 CO 0.07 0.43 -0.12 0.11 0.02 0.00 0.00 177.57 178.08 2bwu h LYS 327 N 0.71 0.03 -0.00 1.57 1.57 -1.28 -2.26 116.57 116.90 2bwu h LYS 327 Ca 0.11 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2bwu h LYS 327 Cb 0.69 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2bwu h LYS 327 CO 0.05 0.16 -0.26 1.28 -0.57 0.00 0.00 179.45 180.10 2bwu n LEU 328 N -4.38 0.38 -0.06 2.94 4.77 -1.02 -4.93 117.00 114.71 2bwu n LEU 328 Ca -0.02 0.13 -0.01 0.00 -0.03 0.00 0.00 56.01 56.08 2bwu n LEU 328 Cb 0.20 -0.30 -0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2bwu n LEU 328 CO 0.36 0.09 -0.01 0.61 -1.33 0.00 0.00 177.39 177.11 2bwu n GLY 329 N 1.45 0.46 0.10 -0.72 0.00 -0.85 -4.93 105.19 100.70 2bwu n GLY 329 Ca 0.08 -0.84 -0.15 0.00 0.00 0.00 0.00 46.02 45.11 2bwu n GLY 329 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2bwu h ILE 330 N 0.00 1.41 -3.70 -0.61 2.04 -1.33 -3.43 117.51 111.88 2bwu h ILE 330 Ca -0.02 -3.02 -0.67 0.00 1.00 0.00 0.00 64.86 62.15 2bwu h ILE 330 Cb 0.06 2.88 -0.18 0.00 -0.74 0.00 0.00 36.82 38.83 2bwu h ILE 330 CO 0.02 0.87 -0.78 -0.76 0.00 0.00 0.00 178.15 177.50 2bwu s LEU 331 N -7.04 2.78 -0.05 1.44 1.43 -0.98 -4.95 118.68 111.32 2bwu s LEU 331 Ca -0.05 -0.50 0.04 0.00 -1.03 0.00 0.00 54.13 52.60 2bwu s LEU 331 Cb 0.07 -1.62 -0.00 0.00 0.03 0.00 0.00 46.19 44.67 2bwu s LEU 331 CO 0.87 0.19 -0.18 -0.54 0.23 0.00 0.00 176.35 176.91 2bwu s LYS 332 N -2.08 1.98 0.00 1.70 1.02 -1.26 -4.24 119.74 116.86 2bwu s LYS 332 Ca 0.18 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 55.52 2bwu s LYS 332 Cb -0.11 -1.68 0.00 0.00 -0.52 0.00 0.00 37.83 35.52 2bwu s LYS 332 CO 0.11 0.24 0.00 0.41 -0.92 0.00 0.00 175.35 175.19 2bwu n GLY 333 N 3.20 0.78 3.73 -3.33 0.00 -1.26 -5.02 105.19 103.29 2bwu n GLY 333 Ca -0.18 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.39 2bwu n GLY 333 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bwu s ASP 334 N -3.63 7.37 0.15 1.61 2.15 -1.26 -4.97 116.67 118.08 2bwu s ASP 334 Ca 0.00 1.90 -0.16 0.00 0.43 0.00 0.00 52.55 54.71 2bwu s ASP 334 Cb 0.00 -2.59 0.01 0.00 -0.30 0.00 0.00 42.92 40.03 2bwu s ASP 334 CO 0.00 -0.17 1.79 0.58 -0.17 0.00 0.00 175.17 177.20 2bwu h VAL 335 N 4.06 1.11 -0.80 1.11 2.07 -1.97 -0.53 116.25 121.30 2bwu h VAL 335 Ca -0.43 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 2bwu h VAL 335 Cb 1.21 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 2bwu h VAL 335 CO 0.73 0.11 0.35 0.44 0.02 0.00 0.00 177.57 179.22 2bwu h ASP 336 N 0.52 1.08 -0.20 0.57 3.32 -1.99 0.05 116.42 119.77 2bwu h ASP 336 Ca 0.14 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 2bwu h ASP 336 Cb -0.03 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 2bwu h ASP 336 CO -0.03 0.94 -0.00 -0.33 -1.72 0.00 0.00 179.24 178.10 2bwu h GLU 337 N 1.16 0.35 -0.93 3.56 5.08 -1.91 -1.83 114.58 120.07 2bwu h GLU 337 Ca 0.27 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 2bwu h GLU 337 Cb 0.17 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 2bwu h GLU 337 CO -0.03 0.56 0.62 -0.07 -1.00 0.00 0.00 179.01 179.08 2bwu h LEU 338 N 0.11 1.04 -0.29 1.33 3.38 -0.87 0.10 115.31 120.10 2bwu h LEU 338 Ca 0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2bwu h LEU 338 Cb 0.40 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2bwu h LEU 338 CO 0.01 0.73 0.13 0.40 0.09 0.00 0.00 178.44 179.79 2bwu h ILE 339 N 1.21 1.17 0.00 1.22 2.04 -0.91 -0.24 117.51 121.99 2bwu h ILE 339 Ca 0.36 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 2bwu h ILE 339 Cb -0.05 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2bwu h ILE 339 CO -0.10 0.18 -0.11 0.00 0.00 0.00 0.00 178.15 178.12 2bwu h ALA 340 N 0.97 1.69 -0.06 1.87 0.00 -0.73 -1.06 119.26 121.94 2bwu h ALA 340 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bwu h ALA 340 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2bwu h ALA 340 CO -0.01 0.14 0.00 1.04 0.00 0.00 0.00 179.25 180.42 2bwu n GLN 341 N -4.23 1.53 -3.86 0.00 6.02 -0.03 -4.95 117.38 111.86 2bwu n GLN 341 Ca -0.03 -0.78 -0.24 0.00 -0.01 0.00 0.00 57.00 55.94 2bwu n GLN 341 Cb 0.19 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 30.01 2bwu n GLN 341 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2bwu n ASN 342 N -0.03 -0.97 0.01 1.08 3.02 -0.40 -4.87 115.26 113.09 2bwu n ASN 342 Ca 0.18 -0.92 0.09 0.00 -0.03 0.00 0.00 54.58 53.90 2bwu n ASN 342 Cb 0.29 -3.47 0.41 0.00 -0.61 0.00 0.00 39.78 36.39 2bwu n ASN 342 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bwu n ALA 343 N -4.37 1.87 0.49 5.41 0.00 -0.16 -2.34 120.51 121.42 2bwu n ALA 343 Ca -0.28 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.23 2bwu n ALA 343 Cb 0.67 -1.31 0.42 0.00 0.00 0.00 0.00 19.45 19.23 2bwu n ALA 343 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 2bwu h HIS 344 N 0.00 0.00 -0.33 0.00 2.07 -1.89 -3.40 115.15 111.60 2bwu h HIS 344 Ca 0.00 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.48 2bwu h HIS 344 Cb 0.34 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.30 2bwu h HIS 344 CO 0.00 0.00 0.05 0.00 -3.07 0.00 0.00 177.93 174.91 2bwu h ARG 345 N 0.00 0.49 -0.04 5.12 3.08 -1.64 -0.40 114.38 120.99 2bwu h ARG 345 Ca 0.00 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 59.98 2bwu h ARG 345 Cb 0.65 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 2bwu h ARG 345 CO 0.00 0.48 0.10 -1.35 -1.07 0.00 0.00 179.97 178.12 2bwu h PRO 346 N 0.48 0.00 0.00 0.04 0.11 -1.84 -3.28 132.00 127.51 2bwu h PRO 346 Ca 0.11 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.17 2bwu h PRO 346 Cb 0.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 2bwu h PRO 346 CO 0.00 0.00 -1.46 1.19 -0.21 0.00 0.00 178.00 177.52 2bwu n PHE 347 N -3.37 0.00 -3.52 0.65 3.72 -0.33 -4.85 117.46 109.75 2bwu n PHE 347 Ca -0.02 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.09 2bwu n PHE 347 Cb 0.18 -0.28 -0.14 0.00 -0.94 0.00 0.00 39.48 38.30 2bwu n PHE 347 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 2bwu s PHE 348 N -2.46 0.55 -0.47 1.38 5.36 -0.31 0.10 117.98 122.14 2bwu s PHE 348 Ca -0.04 -1.21 0.07 0.00 -0.96 0.00 0.00 56.93 54.79 2bwu s PHE 348 Cb 0.04 -0.96 0.19 0.00 -0.34 0.00 0.00 43.02 41.96 2bwu s PHE 348 CO 0.36 -0.83 1.16 0.00 -1.46 0.00 0.00 175.22 174.44 2bwu n MET 349 N 4.76 2.86 -4.58 10.12 0.00 -1.25 -4.25 117.12 124.78 2bwu n MET 349 Ca 0.01 -1.90 -0.27 0.00 0.00 0.00 0.00 57.70 55.54 2bwu n MET 349 Cb 0.40 -1.20 -0.09 0.00 0.00 0.00 0.00 33.22 32.33 2bwu n MET 349 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 175.97 172.59 2bwu s HIS 350 N -1.19 1.99 0.67 3.17 -3.43 -1.26 -5.13 115.29 110.10 2bwu s HIS 350 Ca 0.15 -1.00 -0.12 0.00 -0.80 0.00 0.00 55.06 53.29 2bwu s HIS 350 Cb 0.09 -1.42 -0.00 0.00 -1.43 0.00 0.00 32.58 29.81 2bwu s HIS 350 CO 0.08 0.06 1.06 0.20 -2.00 0.00 0.00 174.74 174.14 2bwu s GLY 351 N -3.67 1.79 0.12 -1.38 0.00 -1.26 -4.99 107.32 97.94 2bwu s GLY 351 Ca 0.24 0.18 -0.07 0.00 0.00 0.00 0.00 44.72 45.07 2bwu s GLY 351 CO 0.12 0.49 1.31 -2.00 0.00 0.00 0.00 173.10 173.02 2bwu h LEU 352 N -0.42 0.66 -7.62 0.66 5.85 -1.94 -3.46 115.31 109.04 2bwu h LEU 352 Ca -0.45 -0.49 -0.17 0.00 0.84 0.00 0.00 57.88 57.62 2bwu h LEU 352 Cb 1.21 -0.20 -0.24 0.00 0.37 0.00 0.00 40.66 41.81 2bwu h LEU 352 CO 0.57 1.28 -0.49 -0.44 -0.34 0.00 0.00 178.44 179.02 2bwu s SER 353 N -7.11 -0.11 0.07 1.25 0.01 -1.26 -0.32 113.70 106.23 2bwu s SER 353 Ca -0.07 0.13 0.01 0.00 1.31 0.00 0.00 55.95 57.33 2bwu s SER 353 Cb 0.09 0.31 -0.04 0.00 0.21 0.00 0.00 66.02 66.59 2bwu s SER 353 CO 0.88 -0.20 -0.06 -1.38 0.41 0.00 0.00 173.24 172.90 2bwu s HIS 354 N -0.53 0.70 0.68 2.43 -3.43 -1.24 -4.94 115.29 108.95 2bwu s HIS 354 Ca -0.06 -0.83 -0.17 0.00 -0.80 0.00 0.00 55.06 53.20 2bwu s HIS 354 Cb -0.04 -0.43 0.01 0.00 -1.43 0.00 0.00 32.58 30.69 2bwu s HIS 354 CO 0.01 -0.19 1.24 -1.58 -2.00 0.00 0.00 174.74 172.21 2bwu s TRP 355 N -3.04 2.11 -0.02 0.38 0.23 -1.26 -1.23 118.94 116.11 2bwu s TRP 355 Ca 0.04 1.54 0.01 0.00 -2.03 0.00 0.00 56.10 55.66 2bwu s TRP 355 Cb 0.01 -3.56 0.01 0.00 0.03 0.00 0.00 33.47 29.97 2bwu s TRP 355 CO -0.05 -2.66 -0.02 -1.17 0.96 0.00 0.00 176.95 174.01 2bwu s LEU 356 N -4.69 1.55 0.00 2.99 2.96 -0.51 -1.21 118.68 119.78 2bwu s LEU 356 Ca 0.78 -0.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.63 2bwu s LEU 356 Cb -0.32 -0.24 0.00 0.00 0.50 0.00 0.00 46.19 46.12 2bwu s LEU 356 CO 0.41 -0.03 0.00 0.61 -1.32 0.00 0.00 176.35 176.02 2bwu n GLY 357 N 3.62 1.04 0.23 7.98 0.00 -1.26 -4.62 105.19 112.19 2bwu n GLY 357 Ca -0.21 0.41 0.11 0.00 0.00 0.00 0.00 46.02 46.33 2bwu n GLY 357 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2bwu h LEU 358 N 0.00 0.00 -8.95 0.99 3.38 -1.94 -0.88 115.31 107.91 2bwu h LEU 358 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 2bwu h LEU 358 Cb 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.53 2bwu h LEU 358 CO 0.00 0.20 -0.79 -1.81 0.09 0.00 0.00 178.44 176.13 2bwu s ASP 359 N -6.15 3.91 0.21 -0.43 1.01 -1.26 -4.63 116.67 109.32 2bwu s ASP 359 Ca 0.00 -0.32 -0.09 0.00 0.71 0.00 0.00 52.55 52.85 2bwu s ASP 359 Cb 0.11 -0.72 0.16 0.00 1.01 0.00 0.00 42.92 43.48 2bwu s ASP 359 CO 0.62 0.29 1.81 1.62 0.21 0.00 0.00 175.17 179.72 2bwu h VAL 360 N 4.09 1.25 -3.76 -1.27 3.04 -1.86 -3.20 116.25 114.54 2bwu h VAL 360 Ca -0.47 -0.69 -0.77 0.00 -1.01 0.00 0.00 66.70 63.76 2bwu h VAL 360 Cb 1.15 0.24 -0.28 0.00 -2.01 0.00 0.00 31.29 30.39 2bwu h VAL 360 CO 0.49 0.30 0.00 -1.00 -1.01 0.00 0.00 177.57 176.35 2bwu s HIS 361 N -5.71 3.69 0.61 3.17 3.76 -1.26 -4.37 115.29 115.19 2bwu s HIS 361 Ca -0.13 -2.18 -0.08 0.00 -0.15 0.00 0.00 55.06 52.52 2bwu s HIS 361 Cb 0.15 -3.68 -0.00 0.00 1.11 0.00 0.00 32.58 30.16 2bwu s HIS 361 CO 0.82 -0.95 0.96 0.34 -0.85 0.00 0.00 174.74 175.06 2bwu s ASP 362 N 1.78 5.76 0.80 1.40 2.15 -0.35 -5.01 116.67 123.21 2bwu s ASP 362 Ca 0.18 0.98 -0.11 0.00 0.43 0.00 0.00 52.55 54.03 2bwu s ASP 362 Cb -0.12 -1.97 0.07 0.00 -0.30 0.00 0.00 42.92 40.60 2bwu s ASP 362 CO -0.08 -1.04 1.09 0.68 -0.17 0.00 0.00 175.17 175.65 2bwu s VAL 363 N -3.09 3.20 0.00 1.11 -7.23 -1.26 -4.63 120.40 108.50 2bwu s VAL 363 Ca 0.54 0.39 0.00 0.00 -1.81 0.00 0.00 61.98 61.10 2bwu s VAL 363 Cb -0.11 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 33.87 2bwu s VAL 363 CO 0.48 -0.51 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 2bwu n GLY 364 N -1.46 3.92 3.71 2.32 0.00 -1.26 -4.50 105.19 107.93 2bwu n GLY 364 Ca 0.08 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 2bwu n GLY 364 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bwu s VAL 365 N -0.93 3.89 -0.14 1.61 1.01 -1.26 -4.94 120.40 119.63 2bwu s VAL 365 Ca 0.00 1.36 0.18 0.00 0.00 0.00 0.00 61.98 63.52 2bwu s VAL 365 Cb 0.00 -3.87 -0.15 0.00 0.00 0.00 0.00 36.38 32.36 2bwu s VAL 365 CO 0.00 0.11 0.75 -1.22 0.00 0.00 0.00 175.10 174.73 2bwu n TYR 366 N 3.92 0.79 0.00 5.22 4.01 -1.26 -4.94 117.16 124.89 2bwu n TYR 366 Ca 0.09 0.26 0.00 0.00 -0.16 0.00 0.00 57.90 58.09 2bwu n TYR 366 Cb 0.46 -1.00 0.00 0.00 -0.31 0.00 0.00 39.34 38.49 2bwu n TYR 366 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2bwu n GLY 367 N 1.38 -2.09 3.68 2.72 0.00 -1.26 -1.71 105.19 107.91 2bwu n GLY 367 Ca -0.10 -1.50 -0.47 0.00 0.00 0.00 0.00 46.02 43.96 2bwu n GLY 367 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2bwu n GLN 368 N -2.17 2.23 -1.85 1.61 7.27 -1.26 -1.35 117.38 121.86 2bwu n GLN 368 Ca 0.00 0.81 -0.20 0.00 0.07 0.00 0.00 57.00 57.69 2bwu n GLN 368 Cb 0.00 -2.63 -0.06 0.00 2.41 0.00 0.00 30.24 29.96 2bwu n GLN 368 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2bwu n ASP 369 N 5.28 -5.35 -2.93 1.69 8.00 -1.26 -2.08 116.55 119.89 2bwu n ASP 369 Ca 0.20 0.33 -0.18 0.00 0.71 0.00 0.00 54.79 55.85 2bwu n ASP 369 Cb 0.30 -4.65 0.06 0.00 -0.02 0.00 0.00 41.12 36.81 2bwu n ASP 369 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2bwu n ARG 370 N -2.53 -6.15 0.00 -1.24 1.74 -0.46 -4.40 116.66 103.62 2bwu n ARG 370 Ca -0.21 0.65 0.13 0.00 -0.77 0.00 0.00 57.85 57.66 2bwu n ARG 370 Cb 0.66 -5.16 0.43 0.00 -1.02 0.00 0.00 32.46 27.36 2bwu n ARG 370 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2bwu n SER 371 N -2.13 1.02 -4.64 0.55 3.41 -0.89 -2.03 113.62 108.91 2bwu n SER 371 Ca -0.02 -0.94 -0.47 0.00 -0.26 0.00 0.00 58.87 57.18 2bwu n SER 371 Cb 0.56 0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.56 2bwu n SER 371 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2bwu n ARG 372 N -0.57 1.79 -2.09 4.33 0.63 -0.70 -4.83 116.66 115.22 2bwu n ARG 372 Ca 0.13 0.64 -0.42 0.00 -0.92 0.00 0.00 57.85 57.28 2bwu n ARG 372 Cb 0.34 -2.30 -0.03 0.00 0.45 0.00 0.00 32.46 30.93 2bwu n ARG 372 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2bwu s ILE 373 N 0.25 3.41 0.35 5.15 -1.09 -1.26 -4.41 121.20 123.60 2bwu s ILE 373 Ca 0.74 0.83 -0.27 0.00 -2.23 0.00 0.00 60.65 59.72 2bwu s ILE 373 Cb -0.73 -3.53 -0.09 0.00 -1.58 0.00 0.00 42.46 36.52 2bwu s ILE 373 CO 0.47 -0.00 1.15 -0.76 -1.23 0.00 0.00 174.94 174.57 2bwu s LEU 374 N 2.47 4.34 0.11 2.97 1.43 0.81 -4.86 118.68 125.95 2bwu s LEU 374 Ca 0.68 2.34 0.03 0.00 -1.03 0.00 0.00 54.13 56.15 2bwu s LEU 374 Cb -0.35 -3.85 -0.04 0.00 0.03 0.00 0.00 46.19 41.97 2bwu s LEU 374 CO 0.29 -0.46 -0.08 -1.61 0.23 0.00 0.00 176.35 174.72 2bwu s GLU 375 N -1.97 0.88 0.32 1.70 2.02 -1.26 -1.30 118.70 119.09 2bwu s GLU 375 Ca 0.52 -1.29 -0.29 0.00 0.02 0.00 0.00 54.97 53.92 2bwu s GLU 375 Cb -0.32 -0.39 -0.11 0.00 0.10 0.00 0.00 34.13 33.41 2bwu s GLU 375 CO 0.40 0.03 1.55 -2.14 0.02 0.00 0.00 175.26 175.13 2bwu s PRO 376 N -3.45 4.12 0.00 0.39 0.02 -1.26 -2.92 135.00 131.90 2bwu s PRO 376 Ca 0.10 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.70 2bwu s PRO 376 Cb 0.02 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.53 2bwu s PRO 376 CO -0.02 -0.59 0.00 0.41 -0.33 0.00 0.00 177.00 176.47 2bwu n GLY 377 N 1.55 1.34 3.74 0.52 0.00 -0.59 -4.89 105.19 106.87 2bwu n GLY 377 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2bwu n GLY 377 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bwu s MET 378 N -0.68 4.65 -0.09 1.61 -1.94 -1.15 -0.66 119.30 121.05 2bwu s MET 378 Ca 0.00 1.68 0.04 0.00 -1.71 0.00 0.00 55.69 55.70 2bwu s MET 378 Cb 0.00 -3.26 0.00 0.00 2.01 0.00 0.00 34.83 33.58 2bwu s MET 378 CO 0.00 0.19 -0.23 0.08 -0.01 0.00 0.00 175.02 175.05 2bwu s VAL 379 N -0.60 1.94 0.09 -6.03 1.01 -1.26 -0.84 120.40 114.72 2bwu s VAL 379 Ca 0.47 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 2bwu s VAL 379 Cb -0.29 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 2bwu s VAL 379 CO 0.36 0.53 0.12 -1.48 0.00 0.00 0.00 175.10 174.63 2bwu s LEU 380 N 0.32 1.70 0.27 3.92 2.34 -0.37 -1.42 118.68 125.45 2bwu s LEU 380 Ca -0.17 -0.85 -0.08 0.00 0.06 0.00 0.00 54.13 53.09 2bwu s LEU 380 Cb -0.17 0.73 -0.06 0.00 -0.56 0.00 0.00 46.19 46.12 2bwu s LEU 380 CO 0.08 -0.72 0.58 0.42 -1.06 0.00 0.00 176.35 175.65 2bwu s THR 381 N -3.92 4.95 -0.20 5.48 -4.23 -0.37 -0.58 115.64 116.77 2bwu s THR 381 Ca 0.10 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.94 2bwu s THR 381 Cb 0.06 -3.68 0.05 0.00 1.34 0.00 0.00 72.50 70.27 2bwu s THR 381 CO -0.08 -0.22 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.03 2bwu s VAL 382 N -1.99 1.36 -0.39 2.29 1.01 0.07 -3.73 120.40 119.03 2bwu s VAL 382 Ca 0.46 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.58 2bwu s VAL 382 Cb -0.11 -1.58 0.29 0.00 0.00 0.00 0.00 36.38 34.98 2bwu s VAL 382 CO 0.26 0.01 0.62 -1.84 0.00 0.00 0.00 175.10 174.15 2bwu n GLU 383 N 4.76 0.82 -2.08 2.72 0.28 0.56 -1.59 120.64 126.11 2bwu n GLU 383 Ca -0.12 -3.23 -0.35 0.00 -0.16 0.00 0.00 57.16 53.30 2bwu n GLU 383 Cb 0.46 -1.41 0.02 0.00 1.43 0.00 0.00 31.44 31.94 2bwu n GLU 383 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2bwu s PRO 384 N -1.60 3.10 0.13 3.44 0.04 -1.24 -4.76 135.00 134.10 2bwu s PRO 384 Ca 0.37 1.67 -0.19 0.00 0.04 0.00 0.00 61.00 62.89 2bwu s PRO 384 Cb 0.24 -1.96 0.05 0.00 0.04 0.00 0.00 34.50 32.87 2bwu s PRO 384 CO -0.10 -1.06 0.47 0.20 0.04 0.00 0.00 177.00 176.54 2bwu s GLY 385 N -1.81 -0.38 -0.05 0.56 0.00 -1.26 -2.59 107.32 101.78 2bwu s GLY 385 Ca 0.74 0.17 0.02 0.00 0.00 0.00 0.00 44.72 45.65 2bwu s GLY 385 CO 0.32 -0.11 -0.09 1.08 0.00 0.00 0.00 173.10 174.29 2bwu s LEU 386 N -2.69 1.58 -0.19 0.66 1.43 -0.32 -4.51 118.68 114.64 2bwu s LEU 386 Ca 0.01 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 2bwu s LEU 386 Cb 0.01 -0.66 0.05 0.00 0.03 0.00 0.00 46.19 45.62 2bwu s LEU 386 CO -0.11 0.02 -0.03 -0.31 0.23 0.00 0.00 176.35 176.15 2bwu s TYR 387 N 0.63 1.75 -0.31 0.29 1.51 0.11 -1.60 117.35 119.74 2bwu s TYR 387 Ca -0.11 -1.23 -0.09 0.00 -1.01 0.00 0.00 57.07 54.62 2bwu s TYR 387 Cb -0.14 -1.32 -0.01 0.00 -0.11 0.00 0.00 41.96 40.38 2bwu s TYR 387 CO 0.02 -0.66 0.15 0.42 -1.11 0.00 0.00 175.55 174.37 2bwu s ILE 388 N 1.62 4.60 0.60 2.71 -1.09 -0.17 -4.36 121.20 125.11 2bwu s ILE 388 Ca -0.02 -0.39 -0.19 0.00 -2.23 0.00 0.00 60.65 57.82 2bwu s ILE 388 Cb -0.17 -3.33 -0.03 0.00 -1.58 0.00 0.00 42.46 37.35 2bwu s ILE 388 CO -0.07 0.09 1.27 0.00 -1.23 0.00 0.00 174.94 174.99 2bwu s ALA 389 N 1.62 2.54 0.57 9.38 0.00 -1.26 -0.86 121.76 133.74 2bwu s ALA 389 Ca 0.05 1.15 0.29 0.00 0.00 0.00 0.00 51.96 53.44 2bwu s ALA 389 Cb -0.17 -3.51 1.47 0.00 0.00 0.00 0.00 23.12 20.91 2bwu s ALA 389 CO 0.06 -1.36 1.93 -1.35 0.00 0.00 0.00 175.76 175.04 2bwu h PRO 390 N 0.88 0.00 -0.33 0.00 0.11 -1.91 -1.97 132.00 128.78 2bwu h PRO 390 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2bwu h PRO 390 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2bwu h PRO 390 CO 0.55 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.94 2bwu n ASP 391 N -3.98 2.99 -4.69 -2.05 5.75 -1.26 -4.65 116.55 108.66 2bwu n ASP 391 Ca 0.10 -2.10 -0.41 0.00 -0.01 0.00 0.00 54.79 52.37 2bwu n ASP 391 Cb 0.69 -0.25 0.01 0.00 -1.03 0.00 0.00 41.12 40.54 2bwu n ASP 391 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bwu n ALA 392 N 0.38 1.17 -2.55 2.12 0.00 -0.75 -4.90 120.51 115.99 2bwu n ALA 392 Ca 0.12 0.26 -0.43 0.00 0.00 0.00 0.00 53.44 53.39 2bwu n ALA 392 Cb 0.46 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.67 2bwu n ALA 392 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2bwu n GLU 393 N 0.06 3.30 -4.15 0.00 1.02 -1.26 -4.90 120.64 114.72 2bwu n GLU 393 Ca 0.07 -3.45 -0.11 0.00 -0.02 0.00 0.00 57.16 53.64 2bwu n GLU 393 Cb 0.39 -3.18 -0.09 0.00 -0.02 0.00 0.00 31.44 28.55 2bwu n GLU 393 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2bwu s VAL 394 N 2.30 0.00 0.27 2.62 -7.23 -1.26 -5.06 120.40 112.04 2bwu s VAL 394 Ca 0.46 -1.85 -0.30 0.00 -1.81 0.00 0.00 61.98 58.49 2bwu s VAL 394 Cb 0.04 -2.43 -0.14 0.00 0.56 0.00 0.00 36.38 34.41 2bwu s VAL 394 CO 0.01 0.00 1.17 -2.65 -0.31 0.00 0.00 175.10 173.32 2bwu n PRO 395 N -0.31 1.60 -0.31 4.82 -0.02 -1.26 -4.83 135.00 134.69 2bwu n PRO 395 Ca 0.01 0.56 0.17 0.00 -2.02 0.00 0.00 63.50 62.22 2bwu n PRO 395 Cb 0.65 -2.06 0.42 0.00 -0.02 0.00 0.00 33.50 32.49 2bwu n PRO 395 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2bwu h GLU 396 N 2.81 0.56 0.00 -0.52 4.22 -1.99 -2.04 114.58 117.63 2bwu h GLU 396 Ca -0.43 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 58.98 2bwu h GLU 396 Cb 1.32 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2bwu h GLU 396 CO 0.66 0.37 0.00 -0.56 -2.18 0.00 0.00 179.01 177.30 2bwu h GLN 397 N 0.57 0.00 -0.00 1.92 -0.00 -2.02 -2.52 115.11 113.05 2bwu h GLN 397 Ca 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.19 2bwu h GLN 397 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.58 2bwu h GLN 397 CO -0.29 0.00 -0.82 0.66 -0.00 0.00 0.00 178.83 178.38 2bwu n TYR 398 N -2.54 0.00 -2.20 0.06 4.01 -0.77 -4.83 117.16 110.90 2bwu n TYR 398 Ca 0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 2bwu n TYR 398 Cb 0.21 -0.03 -0.03 0.00 -0.31 0.00 0.00 39.34 39.19 2bwu n TYR 398 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2bwu s ARG 399 N -2.87 4.38 -0.04 -0.72 0.52 -0.95 -3.34 118.95 115.92 2bwu s ARG 399 Ca 0.11 2.08 0.00 0.00 -0.52 0.00 0.00 55.73 57.40 2bwu s ARG 399 Cb 0.17 -3.19 0.00 0.00 0.52 0.00 0.00 34.95 32.45 2bwu s ARG 399 CO 0.78 -0.26 0.00 0.41 0.02 0.00 0.00 175.30 176.25 2bwu n GLY 400 N 2.32 0.42 3.67 -3.53 0.00 -0.04 -4.82 105.19 103.22 2bwu n GLY 400 Ca 0.06 -0.99 -0.36 0.00 0.00 0.00 0.00 46.02 44.72 2bwu n GLY 400 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bwu s ILE 401 N -2.01 5.37 -0.14 -0.61 1.01 -1.13 -3.73 121.20 119.95 2bwu s ILE 401 Ca 0.00 0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.86 2bwu s ILE 401 Cb 0.00 -3.50 0.02 0.00 0.01 0.00 0.00 42.46 38.99 2bwu s ILE 401 CO 0.00 0.36 -0.18 -0.83 0.00 0.00 0.00 174.94 174.29 2bwu s GLY 402 N 0.92 1.23 -0.07 6.18 0.00 -1.26 -1.00 107.32 113.32 2bwu s GLY 402 Ca 0.08 -0.98 -0.00 0.00 0.00 0.00 0.00 44.72 43.82 2bwu s GLY 402 CO 0.03 0.20 -0.03 -0.42 0.00 0.00 0.00 173.10 172.88 2bwu s ILE 403 N 1.07 0.60 -0.01 0.90 1.01 -0.63 -4.74 121.20 119.40 2bwu s ILE 403 Ca -0.03 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.58 2bwu s ILE 403 Cb -0.14 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.65 2bwu s ILE 403 CO -0.05 0.28 -0.06 -0.60 0.00 0.00 0.00 174.94 174.50 2bwu s ARG 404 N 1.58 0.63 -0.11 2.79 3.52 -1.26 -1.17 118.95 124.93 2bwu s ARG 404 Ca 0.00 -0.22 -0.00 0.00 -0.13 0.00 0.00 55.73 55.38 2bwu s ARG 404 Cb -0.13 -0.62 0.02 0.00 -1.56 0.00 0.00 34.95 32.66 2bwu s ARG 404 CO -0.04 0.10 -0.08 0.42 -0.81 0.00 0.00 175.30 174.89 2bwu s ILE 405 N 0.08 1.03 -0.07 4.11 1.01 -1.07 -3.40 121.20 122.90 2bwu s ILE 405 Ca -0.01 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.37 2bwu s ILE 405 Cb -0.06 -1.05 0.01 0.00 0.01 0.00 0.00 42.46 41.38 2bwu s ILE 405 CO -0.00 0.37 -0.13 -0.70 0.00 0.00 0.00 174.94 174.47 2bwu s GLU 406 N 1.66 1.85 0.25 2.79 2.12 -0.46 -3.59 118.70 123.32 2bwu s GLU 406 Ca 0.04 -0.46 0.11 0.00 0.36 0.00 0.00 54.97 55.02 2bwu s GLU 406 Cb -0.13 -1.51 -0.05 0.00 0.26 0.00 0.00 34.13 32.71 2bwu s GLU 406 CO -0.08 0.04 -0.19 -0.51 -0.54 0.00 0.00 175.26 173.98 2bwu s ASP 407 N 0.65 3.67 -0.12 -1.70 1.01 -0.62 -2.99 116.67 116.57 2bwu s ASP 407 Ca -0.15 -0.92 -0.02 0.00 0.71 0.00 0.00 52.55 52.17 2bwu s ASP 407 Cb -0.16 -0.36 -0.03 0.00 1.01 0.00 0.00 42.92 43.38 2bwu s ASP 407 CO 0.04 0.06 -0.05 -1.81 0.21 0.00 0.00 175.17 173.63 2bwu s ASP 408 N -3.24 4.76 0.09 0.27 1.01 -1.26 -0.75 116.67 117.55 2bwu s ASP 408 Ca 0.27 -0.07 0.03 0.00 0.71 0.00 0.00 52.55 53.49 2bwu s ASP 408 Cb -0.06 -1.53 -0.04 0.00 1.01 0.00 0.00 42.92 42.30 2bwu s ASP 408 CO 0.14 0.26 -0.08 0.27 0.21 0.00 0.00 175.17 175.97 2bwu s ILE 409 N -0.19 0.80 -0.08 0.77 -4.36 0.25 -0.76 121.20 117.63 2bwu s ILE 409 Ca 0.03 -1.69 0.03 0.00 -0.26 0.00 0.00 60.65 58.75 2bwu s ILE 409 Cb -0.13 -1.40 -0.02 0.00 1.25 0.00 0.00 42.46 42.16 2bwu s ILE 409 CO 0.02 -0.67 -0.16 0.54 0.24 0.00 0.00 174.94 174.92 2bwu s VAL 410 N -2.79 2.84 0.11 8.37 0.11 -0.47 -1.23 120.40 127.34 2bwu s VAL 410 Ca 0.06 -0.78 -0.31 0.00 -2.93 0.00 0.00 61.98 58.03 2bwu s VAL 410 Cb -0.00 -2.13 -0.07 0.00 -1.53 0.00 0.00 36.38 32.65 2bwu s VAL 410 CO -0.02 0.56 1.29 -0.63 -3.33 0.00 0.00 175.10 172.98 2bwu s ILE 411 N -0.20 3.58 0.46 7.04 -1.09 -0.02 -0.92 121.20 130.06 2bwu s ILE 411 Ca -0.00 1.17 0.05 0.00 -2.23 0.00 0.00 60.65 59.63 2bwu s ILE 411 Cb -0.13 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 36.97 2bwu s ILE 411 CO 0.03 0.11 0.11 0.42 -1.23 0.00 0.00 174.94 174.38 2bwu s THR 412 N 0.87 1.75 0.40 2.92 -4.23 -0.10 -1.54 115.64 115.71 2bwu s THR 412 Ca 0.60 -1.85 0.15 0.00 -1.18 0.00 0.00 61.69 59.41 2bwu s THR 412 Cb -0.34 -2.60 0.36 0.00 1.34 0.00 0.00 72.50 71.26 2bwu s THR 412 CO 0.31 0.00 1.87 -0.33 -0.54 0.00 0.00 174.62 175.94 2bwu h GLU 413 N 1.40 0.48 -0.00 3.99 4.39 -1.97 -2.98 114.58 119.88 2bwu h GLU 413 Ca -0.43 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.24 2bwu h GLU 413 Cb 1.28 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2bwu h GLU 413 CO 0.73 0.32 -0.22 0.25 -1.16 0.00 0.00 179.01 178.92 2bwu n THR 414 N -4.52 0.00 0.00 1.13 -2.24 -1.26 -4.76 114.28 102.63 2bwu n THR 414 Ca 0.18 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2bwu n THR 414 Cb 0.59 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 2bwu n THR 414 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bwu n GLY 415 N 0.93 -0.16 3.20 3.38 0.00 -1.12 -4.84 105.19 106.58 2bwu n GLY 415 Ca 0.03 0.54 -0.09 0.00 0.00 0.00 0.00 46.02 46.49 2bwu n GLY 415 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bwu s ASN 416 N 2.00 0.08 -0.14 1.61 2.20 -1.25 -0.92 114.94 118.52 2bwu s ASN 416 Ca 0.00 -0.54 -0.01 0.00 -0.94 0.00 0.00 52.86 51.36 2bwu s ASN 416 Cb 0.00 0.33 -0.02 0.00 -2.00 0.00 0.00 41.25 39.56 2bwu s ASN 416 CO 0.00 -0.68 -0.09 -0.70 -2.94 0.00 0.00 177.10 172.69 2bwu s GLU 417 N -3.44 3.47 -0.40 3.55 2.12 -0.10 -4.87 118.70 119.04 2bwu s GLU 417 Ca 0.02 -0.62 -0.22 0.00 0.36 0.00 0.00 54.97 54.50 2bwu s GLU 417 Cb 0.03 -2.73 0.01 0.00 0.26 0.00 0.00 34.13 31.70 2bwu s GLU 417 CO -0.09 0.24 0.74 1.21 -0.54 0.00 0.00 175.26 176.83 2bwu s ASN 418 N 0.31 6.46 0.00 -1.70 3.84 -1.26 -1.37 114.94 121.22 2bwu s ASN 418 Ca -0.08 0.11 0.29 0.00 0.21 0.00 0.00 52.86 53.39 2bwu s ASN 418 Cb -0.15 -2.37 1.20 0.00 -0.55 0.00 0.00 41.25 39.37 2bwu s ASN 418 CO 0.05 -0.77 1.88 0.18 -2.79 0.00 0.00 177.10 175.65 2bwu n LEU 419 N 6.43 0.11 -0.19 3.21 4.77 0.06 -4.00 117.00 127.39 2bwu n LEU 419 Ca 0.02 0.34 0.05 0.00 -0.03 0.00 0.00 56.01 56.39 2bwu n LEU 419 Cb 0.48 -0.39 0.08 0.00 -2.33 0.00 0.00 43.42 41.26 2bwu n LEU 419 CO 0.54 0.03 0.45 0.35 -1.33 0.00 0.00 177.39 177.43 2bwu n THR 420 N -1.40 1.13 0.84 -5.08 -2.24 -1.25 -3.94 114.28 102.34 2bwu n THR 420 Ca 0.09 -1.34 0.11 0.00 -2.27 0.00 0.00 64.05 60.64 2bwu n THR 420 Cb 0.31 0.12 0.50 0.00 -2.10 0.00 0.00 70.33 69.16 2bwu n THR 420 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bwu n ALA 421 N -0.84 2.05 1.38 6.98 0.00 -1.26 -3.25 120.51 125.58 2bwu n ALA 421 Ca 0.09 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.58 2bwu n ALA 421 Cb 0.61 -1.36 0.71 0.00 0.00 0.00 0.00 19.45 19.41 2bwu n ALA 421 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2bwu n SER 422 N -1.45 0.00 -4.58 0.00 3.41 -1.26 -4.56 113.62 105.18 2bwu n SER 422 Ca 0.07 -0.30 -0.34 0.00 -0.26 0.00 0.00 58.87 58.04 2bwu n SER 422 Cb 0.24 -0.21 -0.11 0.00 -0.26 0.00 0.00 64.21 63.88 2bwu n SER 422 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2bwu s VAL 423 N -2.42 4.40 0.63 -3.33 0.11 -1.20 -4.90 120.40 113.69 2bwu s VAL 423 Ca 0.29 -0.18 -0.18 0.00 -2.93 0.00 0.00 61.98 58.99 2bwu s VAL 423 Cb 0.18 -2.95 -0.01 0.00 -1.53 0.00 0.00 36.38 32.06 2bwu s VAL 423 CO 0.38 0.48 1.23 0.68 -3.33 0.00 0.00 175.10 174.54 2bwu s VAL 424 N 0.27 2.44 0.00 2.04 -7.23 -1.26 -4.97 120.40 111.69 2bwu s VAL 424 Ca 0.01 0.26 0.00 0.00 -1.81 0.00 0.00 61.98 60.43 2bwu s VAL 424 Cb -0.13 -3.04 0.00 0.00 0.56 0.00 0.00 36.38 33.77 2bwu s VAL 424 CO 0.01 -0.07 0.00 2.29 -0.31 0.00 0.00 175.10 177.02 2bwu n LYS 425 N -1.91 4.79 -2.13 4.82 2.85 -1.26 -4.90 118.16 120.42 2bwu n LYS 425 Ca 0.14 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.99 2bwu n LYS 425 Cb 0.49 -0.60 -0.03 0.00 -0.65 0.00 0.00 35.03 34.25 2bwu n LYS 425 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2bwu s LYS 426 N -0.40 4.34 0.23 -1.58 1.02 -1.26 -4.90 119.74 117.20 2bwu s LYS 426 Ca 0.00 2.16 -0.08 0.00 0.02 0.00 0.00 55.97 58.07 2bwu s LYS 426 Cb 0.00 -3.15 0.22 0.00 -0.52 0.00 0.00 37.83 34.38 2bwu s LYS 426 CO 0.00 -0.31 1.91 -1.00 -0.92 0.00 0.00 175.35 175.03 2bwu h PRO 427 N 5.04 1.18 -0.00 -1.68 0.13 -1.99 -0.97 132.00 133.71 2bwu h PRO 427 Ca -0.46 -0.07 -0.05 0.00 -0.87 0.00 0.00 66.00 64.56 2bwu h PRO 427 Cb 1.22 -0.27 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 2bwu h PRO 427 CO 0.76 0.78 -0.21 1.05 -0.23 0.00 0.00 178.00 180.15 2bwu h GLU 428 N 1.21 0.01 0.08 0.86 9.09 -1.99 -1.08 114.58 122.76 2bwu h GLU 428 Ca 0.33 -0.00 -0.27 0.00 0.05 0.00 0.00 59.36 59.47 2bwu h GLU 428 Cb -0.14 -0.00 0.01 0.00 -1.65 0.00 0.00 28.75 26.97 2bwu h GLU 428 CO -0.07 0.22 -1.13 0.93 0.05 0.00 0.00 179.01 179.01 2bwu h GLU 429 N 0.01 0.46 0.10 1.06 5.08 -1.69 -1.98 114.58 117.62 2bwu h GLU 429 Ca -0.00 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 2bwu h GLU 429 Cb 0.38 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2bwu h GLU 429 CO 0.03 1.24 -0.09 0.82 -1.00 0.00 0.00 179.01 180.01 2bwu h ILE 430 N 0.21 0.81 -0.68 3.13 2.04 -0.97 -1.80 117.51 120.25 2bwu h ILE 430 Ca -0.13 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.74 2bwu h ILE 430 Cb 1.80 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 38.65 2bwu h ILE 430 CO 0.20 0.00 0.44 -0.33 0.00 0.00 0.00 178.15 178.47 2bwu h GLU 431 N -0.20 0.87 -0.64 2.37 5.08 -1.22 -1.47 114.58 119.37 2bwu h GLU 431 Ca -0.00 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 2bwu h GLU 431 Cb 0.19 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 2bwu h GLU 431 CO -0.01 0.58 0.19 0.00 -1.00 0.00 0.00 179.01 178.76 2bwu h ALA 432 N 1.26 1.13 -0.52 3.43 0.00 -1.31 -1.05 119.26 122.19 2bwu h ALA 432 Ca 0.25 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2bwu h ALA 432 Cb -0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2bwu h ALA 432 CO -0.07 0.60 0.15 1.25 0.00 0.00 0.00 179.25 181.18 2bwu h LEU 433 N 0.94 0.78 -0.20 0.00 5.85 -0.85 -1.37 115.31 120.46 2bwu h LEU 433 Ca 0.21 -0.22 -0.22 0.00 0.84 0.00 0.00 57.88 58.49 2bwu h LEU 433 Cb 0.28 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.12 2bwu h LEU 433 CO -0.01 0.79 -0.74 0.24 -0.34 0.00 0.00 178.44 178.38 2bwu h MET 434 N 0.72 0.78 -0.16 1.25 2.86 -1.09 -2.29 114.93 117.01 2bwu h MET 434 Ca 0.17 -0.61 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 2bwu h MET 434 Cb 0.30 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 2bwu h MET 434 CO -0.00 1.23 0.10 0.28 1.06 0.00 0.00 176.91 179.57 2bwu h VAL 435 N 0.54 1.06 -0.72 -2.22 2.07 -1.20 -1.41 116.25 114.37 2bwu h VAL 435 Ca -0.04 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.39 2bwu h VAL 435 Cb 1.36 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 2bwu h VAL 435 CO 0.15 0.06 0.47 0.00 0.02 0.00 0.00 177.57 178.27 2bwu h ALA 436 N 1.03 1.64 -0.04 1.67 0.00 -1.23 -2.59 119.26 119.74 2bwu h ALA 436 Ca 0.06 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 2bwu h ALA 436 Cb 0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2bwu h ALA 436 CO -0.01 0.27 -0.82 0.00 0.00 0.00 0.00 179.25 178.68 2bwu h ALA 437 N 1.59 0.50 0.00 0.00 0.00 -1.20 -3.08 119.26 117.07 2bwu h ALA 437 Ca 0.30 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2bwu h ALA 437 Cb 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2bwu h ALA 437 CO -0.09 0.79 0.00 0.54 0.00 0.00 0.00 179.25 180.49 2bwu n ARG 438 N -3.79 0.01 -0.02 0.00 1.74 -0.55 -3.20 116.66 110.85 2bwu n ARG 438 Ca -0.05 0.12 -0.21 0.00 -0.77 0.00 0.00 57.85 56.94 2bwu n ARG 438 Cb 0.76 -1.51 -0.13 0.00 -1.02 0.00 0.00 32.46 30.56 2bwu n ARG 438 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2bwu n LYS 439 N -1.53 0.73 0.00 5.56 5.02 -1.08 -5.09 118.16 121.78 2bwu n LYS 439 Ca 0.05 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 2bwu n LYS 439 Cb 0.26 -1.67 0.02 0.00 -0.02 0.00 0.00 35.03 33.62 2bwu n LYS 439 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92