#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bww s GLU 2 N 0.00 1.62 -0.20 1.43 -1.05 -1.26 -4.88 118.70 114.36 2bww s GLU 2 Ca 0.00 -1.72 -0.12 0.00 -0.15 0.00 0.00 54.97 52.98 2bww s GLU 2 Cb 0.00 0.37 -0.05 0.00 -0.44 0.00 0.00 34.13 34.01 2bww s GLU 2 CO 0.00 -0.62 0.24 0.42 0.95 0.00 0.00 175.26 176.25 2bww s ILE 3 N -3.61 5.32 0.69 1.83 -1.09 -1.26 -4.90 121.20 118.18 2bww s ILE 3 Ca 0.34 0.40 -0.11 0.00 -2.23 0.00 0.00 60.65 59.05 2bww s ILE 3 Cb 0.02 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.32 2bww s ILE 3 CO 0.18 0.36 1.07 -0.94 -1.23 0.00 0.00 174.94 174.38 2bww s SER 4 N 0.74 5.60 0.18 3.58 1.04 -1.26 -4.96 113.70 118.62 2bww s SER 4 Ca 0.13 1.32 -0.13 0.00 0.48 0.00 0.00 55.95 57.75 2bww s SER 4 Cb -0.13 -2.21 0.10 0.00 0.10 0.00 0.00 66.02 63.87 2bww s SER 4 CO 0.04 -1.26 1.83 0.03 0.98 0.00 0.00 173.24 174.86 2bww h ARG 5 N -0.60 0.69 -0.77 4.02 3.08 -1.98 -2.62 114.38 116.20 2bww h ARG 5 Ca -0.45 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 59.61 2bww h ARG 5 Cb 1.23 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 31.07 2bww h ARG 5 CO 0.62 0.46 0.47 1.96 -1.07 0.00 0.00 179.97 182.41 2bww h GLN 6 N 0.71 0.86 -0.67 0.04 7.50 -1.99 -1.70 115.11 119.87 2bww h GLN 6 Ca 0.21 -0.05 -0.03 0.00 0.50 0.00 0.00 58.65 59.28 2bww h GLN 6 Cb -0.04 -0.19 -0.03 0.00 0.05 0.00 0.00 27.48 27.27 2bww h GLN 6 CO -0.07 0.57 0.31 1.49 -1.50 0.00 0.00 178.83 179.64 2bww h GLU 7 N 0.89 0.97 -0.95 1.46 4.81 -1.88 -0.28 114.58 119.60 2bww h GLU 7 Ca 0.32 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 2bww h GLU 7 Cb 0.10 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.26 2bww h GLU 7 CO -0.14 0.78 0.63 0.74 -0.73 0.00 0.00 179.01 180.28 2bww h PHE 8 N 0.93 1.18 -0.32 0.92 0.04 -1.05 -2.10 116.94 116.54 2bww h PHE 8 Ca 0.23 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 61.02 2bww h PHE 8 Cb 0.14 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 37.87 2bww h PHE 8 CO 0.01 0.72 0.16 0.37 -0.60 0.00 0.00 178.31 178.97 2bww h GLN 9 N 1.26 0.46 -0.57 1.51 5.75 -0.79 -2.52 115.11 120.21 2bww h GLN 9 Ca 0.36 -0.06 0.08 0.00 -0.15 0.00 0.00 58.65 58.88 2bww h GLN 9 Cb -0.10 -0.09 -0.07 0.00 1.07 0.00 0.00 27.48 28.30 2bww h GLN 9 CO -0.09 0.41 0.21 0.00 -2.65 0.00 0.00 178.83 176.71 2bww h ARG 10 N 0.39 0.38 -0.50 1.69 3.08 -0.69 -1.10 114.38 117.63 2bww h ARG 10 Ca 0.11 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 2bww h ARG 10 Cb 0.10 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2bww h ARG 10 CO -0.02 0.25 0.23 0.00 -1.07 0.00 0.00 179.97 179.36 2bww h ARG 11 N 0.39 0.72 -0.39 0.04 3.08 -1.28 0.92 114.38 117.86 2bww h ARG 11 Ca 0.28 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.24 2bww h ARG 11 Cb 0.33 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 2bww h ARG 11 CO -0.28 0.62 0.22 0.00 -1.07 0.00 0.00 179.97 179.46 2bww h ARG 12 N 0.66 0.44 -0.53 0.04 3.08 -0.96 -1.56 114.38 115.56 2bww h ARG 12 Ca 0.17 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 2bww h ARG 12 Cb 0.14 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2bww h ARG 12 CO -0.02 0.29 0.11 1.96 -1.07 0.00 0.00 179.97 181.24 2bww h GLN 13 N 0.45 0.81 -0.70 0.04 1.08 -0.92 -0.71 115.11 115.16 2bww h GLN 13 Ca 0.15 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2bww h GLN 13 Cb 0.01 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.29 2bww h GLN 13 CO -0.07 0.75 0.41 0.00 -0.95 0.00 0.00 178.83 178.96 2bww h ALA 14 N 1.34 0.90 0.08 3.87 0.00 -0.34 0.18 119.26 125.28 2bww h ALA 14 Ca 0.17 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2bww h ALA 14 Cb 0.31 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2bww h ALA 14 CO 0.00 0.39 -0.04 1.25 0.00 0.00 0.00 179.25 180.85 2bww h LEU 15 N 0.96 -0.09 -1.26 0.00 5.85 -0.99 -3.05 115.31 116.73 2bww h LEU 15 Ca 0.25 -0.17 0.11 0.00 0.84 0.00 0.00 57.88 58.91 2bww h LEU 15 Cb 0.00 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 2bww h LEU 15 CO -0.04 0.11 0.56 0.58 -0.34 0.00 0.00 178.44 179.31 2bww h VAL 16 N -0.29 0.93 -0.98 1.05 2.07 -0.75 -1.41 116.25 116.86 2bww h VAL 16 Ca -0.01 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.32 2bww h VAL 16 Cb 0.25 0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 30.01 2bww h VAL 16 CO 0.02 0.15 0.63 -0.08 0.02 0.00 0.00 177.57 178.30 2bww h GLU 17 N 0.80 1.04 0.00 1.57 4.57 -0.55 -1.62 114.58 120.39 2bww h GLU 17 Ca 0.41 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.53 2bww h GLU 17 Cb 0.49 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 2bww h GLU 17 CO -0.17 0.69 -0.35 1.04 -1.18 0.00 0.00 179.01 179.04 2bww n GLN 18 N -4.53 0.06 -2.48 1.92 6.02 -0.56 -4.89 117.38 112.91 2bww n GLN 18 Ca 0.16 0.02 -0.34 0.00 -0.01 0.00 0.00 57.00 56.83 2bww n GLN 18 Cb 0.25 -1.54 -0.03 0.00 1.02 0.00 0.00 30.24 29.94 2bww n GLN 18 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2bww s MET 19 N -3.03 3.71 0.51 -1.09 -1.94 -0.61 -5.02 119.30 111.82 2bww s MET 19 Ca 0.11 1.41 -0.21 0.00 -1.71 0.00 0.00 55.69 55.28 2bww s MET 19 Cb 0.17 -2.08 -0.06 0.00 2.01 0.00 0.00 34.83 34.87 2bww s MET 19 CO 0.65 -0.52 1.19 -0.65 -0.01 0.00 0.00 175.02 175.68 2bww s GLN 20 N -3.26 3.46 0.50 2.03 -0.21 -1.26 -5.00 119.66 115.92 2bww s GLN 20 Ca 0.68 1.81 -0.23 0.00 0.02 0.00 0.00 55.36 57.65 2bww s GLN 20 Cb -0.18 -2.22 -0.06 0.00 1.00 0.00 0.00 33.01 31.55 2bww s GLN 20 CO 0.22 -0.81 1.31 -1.25 -2.12 0.00 0.00 175.29 172.64 2bww s PRO 21 N -2.96 3.41 -0.47 2.91 0.04 -1.26 -3.44 135.00 133.23 2bww s PRO 21 Ca 0.69 2.13 -0.01 0.00 0.04 0.00 0.00 61.00 63.84 2bww s PRO 21 Cb -0.29 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 31.88 2bww s PRO 21 CO 0.34 -0.94 0.40 0.41 0.04 0.00 0.00 177.00 177.26 2bww n GLY 22 N 0.64 0.25 3.14 0.56 0.00 0.31 -4.83 105.19 105.25 2bww n GLY 22 Ca 0.09 -0.29 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 2bww n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bww s SER 23 N -3.34 0.35 -0.02 1.61 1.04 -0.64 -1.20 113.70 111.50 2bww s SER 23 Ca 0.09 -1.03 0.01 0.00 0.48 0.00 0.00 55.95 55.51 2bww s SER 23 Cb -0.04 0.27 0.01 0.00 0.10 0.00 0.00 66.02 66.36 2bww s SER 23 CO 0.27 -0.69 -0.04 0.00 0.98 0.00 0.00 173.24 173.77 2bww s ALA 24 N -3.97 0.43 -0.17 5.32 0.00 -0.90 0.04 121.76 122.52 2bww s ALA 24 Ca 0.14 -0.08 -0.06 0.00 0.00 0.00 0.00 51.96 51.96 2bww s ALA 24 Cb 0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 2bww s ALA 24 CO -0.05 0.04 0.03 0.00 0.00 0.00 0.00 175.76 175.78 2bww s ALA 25 N 0.37 3.29 -0.29 0.00 0.00 0.56 -0.45 121.76 125.24 2bww s ALA 25 Ca -0.04 -0.77 -0.04 0.00 0.00 0.00 0.00 51.96 51.12 2bww s ALA 25 Cb -0.07 -1.79 0.03 0.00 0.00 0.00 0.00 23.12 21.28 2bww s ALA 25 CO -0.00 0.22 0.02 -0.51 0.00 0.00 0.00 175.76 175.48 2bww s LEU 26 N 0.28 3.71 -0.19 0.00 1.43 -0.02 -1.44 118.68 122.46 2bww s LEU 26 Ca 0.02 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.15 2bww s LEU 26 Cb -0.13 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.34 2bww s LEU 26 CO 0.01 -0.21 -0.17 -0.63 0.23 0.00 0.00 176.35 175.58 2bww s ILE 27 N 1.37 2.30 0.07 -0.59 1.01 -0.35 -4.51 121.20 120.50 2bww s ILE 27 Ca -0.01 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.80 2bww s ILE 27 Cb -0.18 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 2bww s ILE 27 CO -0.01 0.52 0.14 -0.36 0.00 0.00 0.00 174.94 175.23 2bww s PHE 28 N 1.31 3.33 0.61 3.97 0.40 -1.26 -1.08 117.98 125.25 2bww s PHE 28 Ca 0.05 0.15 -0.09 0.00 -0.60 0.00 0.00 56.93 56.44 2bww s PHE 28 Cb -0.13 -1.68 -0.02 0.00 0.51 0.00 0.00 43.02 41.70 2bww s PHE 28 CO -0.11 0.55 0.97 0.00 0.70 0.00 0.00 175.22 177.33 2bww s ALA 29 N -1.45 3.15 0.39 5.36 0.00 -0.62 -4.61 121.76 123.98 2bww s ALA 29 Ca 0.32 -0.36 -0.24 0.00 0.00 0.00 0.00 51.96 51.68 2bww s ALA 29 Cb -0.12 -2.87 -0.09 0.00 0.00 0.00 0.00 23.12 20.03 2bww s ALA 29 CO 0.25 -0.75 1.02 0.00 0.00 0.00 0.00 175.76 176.28 2bww s ALA 30 N -3.10 3.10 0.59 0.00 0.00 -1.26 -4.78 121.76 116.31 2bww s ALA 30 Ca 0.54 0.65 -0.17 0.00 0.00 0.00 0.00 51.96 52.97 2bww s ALA 30 Cb -0.11 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 2bww s ALA 30 CO 0.50 -0.12 1.11 -2.14 0.00 0.00 0.00 175.76 175.11 2bww s PRO 31 N -2.48 3.15 0.79 0.00 0.02 -1.26 -4.39 135.00 130.82 2bww s PRO 31 Ca 0.57 1.49 -0.13 0.00 0.02 0.00 0.00 61.00 62.95 2bww s PRO 31 Cb -0.20 -1.99 0.07 0.00 0.02 0.00 0.00 34.50 32.40 2bww s PRO 31 CO 0.26 -0.99 1.16 -1.21 -0.33 0.00 0.00 177.00 175.89 2bww s GLU 32 N -3.65 1.84 -0.04 5.54 2.02 -1.26 -4.92 118.70 118.23 2bww s GLU 32 Ca 0.70 1.58 -0.01 0.00 0.02 0.00 0.00 54.97 57.25 2bww s GLU 32 Cb -0.22 -1.82 0.03 0.00 0.10 0.00 0.00 34.13 32.23 2bww s GLU 32 CO 0.33 -2.03 0.04 0.08 0.02 0.00 0.00 175.26 173.70 2bww s VAL 33 N -2.36 0.03 0.36 2.63 1.01 -1.26 -5.09 120.40 115.72 2bww s VAL 33 Ca 0.69 0.31 -0.27 0.00 0.00 0.00 0.00 61.98 62.71 2bww s VAL 33 Cb -0.25 -0.24 -0.09 0.00 0.00 0.00 0.00 36.38 35.80 2bww s VAL 33 CO 0.51 0.19 1.22 -0.89 0.00 0.00 0.00 175.10 176.12 2bww s THR 34 N 1.92 2.99 -0.24 3.92 2.01 -1.26 -1.13 115.64 123.85 2bww s THR 34 Ca 0.02 0.91 -0.13 0.00 0.31 0.00 0.00 61.69 62.80 2bww s THR 34 Cb -0.12 -3.55 -0.10 0.00 0.01 0.00 0.00 72.50 68.74 2bww s THR 34 CO -0.03 0.15 -0.33 -1.14 -0.69 0.00 0.00 174.62 172.59 2bww n ARG 35 N 0.46 0.53 -3.61 4.92 0.63 0.02 -4.61 116.66 115.00 2bww n ARG 35 Ca 0.02 0.23 -0.02 0.00 -0.92 0.00 0.00 57.85 57.16 2bww n ARG 35 Cb 0.44 -1.39 -0.05 0.00 0.45 0.00 0.00 32.46 31.91 2bww n ARG 35 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2bww s SER 36 N -7.08 -0.97 1.66 6.15 0.15 -1.11 -5.03 113.70 107.46 2bww s SER 36 Ca -0.34 1.40 0.00 0.00 0.70 0.00 0.00 55.95 57.71 2bww s SER 36 Cb 0.12 1.89 0.00 0.00 -1.71 0.00 0.00 66.02 66.32 2bww s SER 36 CO 0.44 -0.20 0.00 0.00 1.20 0.00 0.00 173.24 174.67 2bww n ALA 37 N 4.94 0.00 1.88 5.45 0.00 -1.26 -1.62 120.51 129.90 2bww n ALA 37 Ca -0.14 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.39 2bww n ALA 37 Cb 0.53 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.51 2bww n ALA 37 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2bww n ASP 38 N 4.72 0.00 -4.88 0.00 5.75 -1.26 -4.86 116.55 116.02 2bww n ASP 38 Ca 0.00 -1.32 -0.35 0.00 -0.01 0.00 0.00 54.79 53.11 2bww n ASP 38 Cb 0.00 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.04 2bww n ASP 38 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2bww s SER 39 N -1.62 6.53 0.16 -1.12 1.04 -0.64 -5.03 113.70 113.03 2bww s SER 39 Ca 0.27 0.61 0.10 0.00 0.48 0.00 0.00 55.95 57.41 2bww s SER 39 Cb 0.12 -2.11 -0.04 0.00 0.10 0.00 0.00 66.02 64.09 2bww s SER 39 CO 0.21 0.27 -0.21 -1.61 0.98 0.00 0.00 173.24 172.88 2bww s GLU 40 N -1.64 1.64 0.71 4.02 2.02 -1.26 -0.80 118.70 123.40 2bww s GLU 40 Ca 0.26 -1.38 -0.14 0.00 0.02 0.00 0.00 54.97 53.74 2bww s GLU 40 Cb -0.13 -1.97 0.03 0.00 0.10 0.00 0.00 34.13 32.16 2bww s GLU 40 CO 0.15 0.43 1.14 0.71 0.02 0.00 0.00 175.26 177.71 2bww s TYR 41 N -1.46 2.39 0.21 1.61 2.02 -0.28 -4.69 117.35 117.15 2bww s TYR 41 Ca 0.20 1.58 -0.32 0.00 -0.37 0.00 0.00 57.07 58.16 2bww s TYR 41 Cb -0.09 -3.25 -0.14 0.00 -0.40 0.00 0.00 41.96 38.08 2bww s TYR 41 CO 0.10 -2.03 1.37 -2.30 -1.57 0.00 0.00 175.55 171.12 2bww n PRO 42 N -2.75 1.80 -2.17 -1.71 -0.02 -1.26 -4.76 135.00 124.13 2bww n PRO 42 Ca 0.11 0.64 -0.41 0.00 -2.02 0.00 0.00 63.50 61.82 2bww n PRO 42 Cb 0.52 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 2bww n PRO 42 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2bww s TYR 43 N 0.04 3.18 -0.24 6.00 5.04 -1.26 -5.01 117.35 125.11 2bww s TYR 43 Ca 0.71 1.22 0.01 0.00 -2.44 0.00 0.00 57.07 56.57 2bww s TYR 43 Cb -0.71 -3.65 0.06 0.00 0.35 0.00 0.00 41.96 38.01 2bww s TYR 43 CO 0.49 -2.01 -0.04 0.50 -1.34 0.00 0.00 175.55 173.15 2bww s ARG 44 N -0.47 1.53 0.41 4.97 6.06 -1.26 -5.12 118.95 125.07 2bww s ARG 44 Ca 0.56 -0.97 -0.26 0.00 -2.50 0.00 0.00 55.73 52.55 2bww s ARG 44 Cb -0.38 -2.55 -0.09 0.00 0.06 0.00 0.00 34.95 31.99 2bww s ARG 44 CO 0.42 -0.62 1.38 -1.14 -2.50 0.00 0.00 175.30 172.84 2bww s GLN 45 N 1.42 3.91 0.23 5.12 2.00 -1.26 -4.77 119.66 126.31 2bww s GLN 45 Ca -0.05 2.33 -0.31 0.00 -2.00 0.00 0.00 55.36 55.33 2bww s GLN 45 Cb -0.19 -2.77 -0.15 0.00 0.80 0.00 0.00 33.01 30.70 2bww s GLN 45 CO -0.07 -0.61 1.19 -1.71 -0.50 0.00 0.00 175.29 173.60 2bww n ASN 46 N 0.10 1.75 -0.24 6.67 2.85 -1.26 -4.85 115.26 120.28 2bww n ASN 46 Ca 0.04 1.15 -0.08 0.00 -0.11 0.00 0.00 54.58 55.58 2bww n ASN 46 Cb 0.42 -1.30 0.04 0.00 1.24 0.00 0.00 39.78 40.18 2bww n ASN 46 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2bww h SER 47 N 3.20 1.05 -0.31 1.20 0.02 -1.94 -0.93 113.55 115.84 2bww h SER 47 Ca -0.43 -0.25 -0.12 0.00 -0.84 0.00 0.00 61.79 60.15 2bww h SER 47 Cb 1.32 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 2bww h SER 47 CO 0.69 1.03 -0.28 0.44 -1.14 0.00 0.00 176.83 177.57 2bww h ASP 48 N 1.02 0.78 -0.54 3.07 3.32 -1.95 0.42 116.42 122.54 2bww h ASP 48 Ca 0.20 -0.46 -0.05 0.00 0.02 0.00 0.00 57.03 56.75 2bww h ASP 48 Cb 0.42 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 2bww h ASP 48 CO 0.01 1.08 0.16 0.15 -1.72 0.00 0.00 179.24 178.92 2bww h PHE 49 N 0.49 0.88 -0.15 4.55 3.57 -1.80 -2.86 116.94 121.61 2bww h PHE 49 Ca 0.05 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2bww h PHE 49 Cb 0.85 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 2bww h PHE 49 CO 0.07 0.75 0.09 2.35 -2.23 0.00 0.00 178.31 179.35 2bww h TRP 50 N 0.75 0.18 -1.02 0.41 2.91 -1.08 -2.72 115.95 115.38 2bww h TRP 50 Ca 0.17 0.00 0.29 0.00 1.13 0.00 0.00 58.89 60.49 2bww h TRP 50 Cb 0.30 -0.06 -0.13 0.00 -0.51 0.00 0.00 29.16 28.75 2bww h TRP 50 CO 0.02 0.11 0.60 -0.92 -1.03 0.00 0.00 178.44 177.22 2bww h TYR 51 N 0.19 0.93 -0.00 2.65 3.20 -0.69 0.15 116.97 123.40 2bww h TYR 51 Ca 0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2bww h TYR 51 Cb -0.02 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.00 2bww h TYR 51 CO -0.07 -0.05 -0.50 1.19 -1.64 0.00 0.00 178.16 177.08 2bww n PHE 52 N -4.93 0.00 0.00 -3.82 3.72 -1.12 -4.69 117.46 106.63 2bww n PHE 52 Ca 0.29 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.69 2bww n PHE 52 Cb 0.89 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 39.30 2bww n PHE 52 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2bww n THR 53 N -1.03 0.00 -3.88 4.37 -2.24 -0.39 -4.81 114.28 106.30 2bww n THR 53 Ca 0.08 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.57 2bww n THR 53 Cb 0.36 -0.29 0.03 0.00 -2.10 0.00 0.00 70.33 68.32 2bww n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bww n GLY 54 N 1.49 -0.46 3.09 3.38 0.00 0.38 -4.96 105.19 108.12 2bww n GLY 54 Ca 0.00 0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 2bww n GLY 54 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2bww s PHE 55 N -3.38 2.69 -0.64 1.61 5.36 -1.26 -5.04 117.98 117.33 2bww s PHE 55 Ca 0.54 -1.63 -0.01 0.00 -0.96 0.00 0.00 56.93 54.87 2bww s PHE 55 Cb -0.27 -1.85 0.44 0.00 -0.34 0.00 0.00 43.02 41.01 2bww s PHE 55 CO 0.83 -0.79 1.91 -1.71 -1.46 0.00 0.00 175.22 174.00 2bww n ASN 56 N 4.63 7.28 -4.47 6.13 5.15 -1.26 -4.80 115.26 127.92 2bww n ASN 56 Ca -0.19 -3.79 -0.29 0.00 -0.60 0.00 0.00 54.58 49.70 2bww n ASN 56 Cb 0.49 -0.90 -0.12 0.00 -0.53 0.00 0.00 39.78 38.73 2bww n ASN 56 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2bww s GLU 57 N -3.82 1.74 0.90 1.20 2.02 -1.26 -4.95 118.70 114.52 2bww s GLU 57 Ca 0.61 -1.19 -0.14 0.00 0.02 0.00 0.00 54.97 54.27 2bww s GLU 57 Cb 0.49 -2.08 0.15 0.00 0.10 0.00 0.00 34.13 32.79 2bww s GLU 57 CO -0.05 0.48 1.26 -1.25 0.02 0.00 0.00 175.26 175.71 2bww s PRO 58 N -2.07 1.17 -1.16 0.39 0.04 -1.26 -4.49 135.00 127.63 2bww s PRO 58 Ca 0.17 -0.23 -0.17 0.00 0.04 0.00 0.00 61.00 60.81 2bww s PRO 58 Cb -0.10 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 2bww s PRO 58 CO 0.09 -2.08 0.78 0.39 0.04 0.00 0.00 177.00 176.22 2bww n GLU 59 N -3.57 -1.68 -3.92 4.56 1.02 -1.26 -4.67 120.64 111.12 2bww n GLU 59 Ca 0.12 0.50 -0.10 0.00 -0.02 0.00 0.00 57.16 57.66 2bww n GLU 59 Cb 0.60 -4.38 -0.11 0.00 -0.02 0.00 0.00 31.44 27.53 2bww n GLU 59 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bww s ALA 60 N -3.50 -0.05 -0.06 0.62 0.00 -1.26 -3.29 121.76 114.22 2bww s ALA 60 Ca 0.41 -0.27 -0.02 0.00 0.00 0.00 0.00 51.96 52.08 2bww s ALA 60 Cb -0.14 0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.09 2bww s ALA 60 CO 0.85 -0.13 0.11 0.08 0.00 0.00 0.00 175.76 176.66 2bww s VAL 61 N -1.01 -0.13 -0.11 0.00 1.01 0.34 -1.60 120.40 118.90 2bww s VAL 61 Ca -0.11 0.30 -0.20 0.00 0.00 0.00 0.00 61.98 61.98 2bww s VAL 61 Cb -0.07 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 2bww s VAL 61 CO -0.00 0.13 0.54 -0.22 0.00 0.00 0.00 175.10 175.54 2bww s LEU 62 N 1.75 4.27 -0.18 3.92 2.96 -0.24 -0.41 118.68 130.75 2bww s LEU 62 Ca -0.02 0.90 0.01 0.00 -0.22 0.00 0.00 54.13 54.80 2bww s LEU 62 Cb -0.12 -2.79 0.03 0.00 0.50 0.00 0.00 46.19 43.80 2bww s LEU 62 CO -0.05 -0.05 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.09 2bww s VAL 63 N 0.77 1.88 -0.25 1.68 1.01 0.12 -1.21 120.40 124.39 2bww s VAL 63 Ca 0.29 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 2bww s VAL 63 Cb -0.16 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 2bww s VAL 63 CO 0.12 0.41 0.04 -0.76 0.00 0.00 0.00 175.10 174.91 2bww s LEU 64 N 1.34 3.40 -0.21 3.92 1.43 -0.52 -0.64 118.68 127.40 2bww s LEU 64 Ca 0.03 -0.41 -0.06 0.00 -1.03 0.00 0.00 54.13 52.66 2bww s LEU 64 Cb -0.14 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 2bww s LEU 64 CO -0.11 -0.08 0.03 -0.63 0.23 0.00 0.00 176.35 175.79 2bww s ILE 65 N 1.54 4.14 -0.43 -0.59 1.01 0.00 -0.32 121.20 126.54 2bww s ILE 65 Ca 0.05 -0.25 -0.11 0.00 0.00 0.00 0.00 60.65 60.35 2bww s ILE 65 Cb -0.15 -2.89 0.08 0.00 0.01 0.00 0.00 42.46 39.50 2bww s ILE 65 CO 0.01 0.40 0.29 -0.75 0.00 0.00 0.00 174.94 174.90 2bww s LYS 66 N 1.13 2.69 0.01 2.79 2.20 0.11 -1.30 119.74 127.37 2bww s LYS 66 Ca 0.03 -1.45 -0.25 0.00 -0.36 0.00 0.00 55.97 53.95 2bww s LYS 66 Cb -0.14 -3.87 -0.19 0.00 -1.51 0.00 0.00 37.83 32.12 2bww s LYS 66 CO 0.02 -0.98 1.40 0.77 -0.36 0.00 0.00 175.35 176.20 2bww h SER 67 N 8.49 0.02 -0.36 1.43 0.02 -1.47 0.12 113.55 121.78 2bww h SER 67 Ca -0.24 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 2bww h SER 67 Cb 1.09 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2bww h SER 67 CO 0.79 0.37 0.00 -0.90 -1.14 0.00 0.00 176.83 175.95 2bww n ASP 68 N -4.90 0.00 0.13 3.07 5.68 -0.91 -2.63 116.55 116.99 2bww n ASP 68 Ca -0.08 -0.35 0.12 0.00 -0.50 0.00 0.00 54.79 53.99 2bww n ASP 68 Cb 0.19 0.00 0.49 0.00 -1.14 0.00 0.00 41.12 40.66 2bww n ASP 68 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2bww n ASP 69 N -0.38 0.70 0.00 -1.12 9.92 -1.26 -3.26 116.55 121.15 2bww n ASP 69 Ca 0.00 0.66 0.00 0.00 -0.53 0.00 0.00 54.79 54.92 2bww n ASP 69 Cb 0.00 -0.81 0.00 0.00 -0.64 0.00 0.00 41.12 39.67 2bww n ASP 69 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2bww n THR 70 N -2.26 0.00 -4.16 -3.53 -2.24 -1.26 -5.03 114.28 95.79 2bww n THR 70 Ca 0.02 -0.20 -0.35 0.00 -2.27 0.00 0.00 64.05 61.26 2bww n THR 70 Cb 0.25 0.70 -0.13 0.00 -2.10 0.00 0.00 70.33 69.06 2bww n THR 70 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2bww s HIS 71 N -1.52 3.03 -0.01 4.78 3.76 -1.20 -5.09 115.29 119.04 2bww s HIS 71 Ca 0.00 -0.44 -0.26 0.00 -0.15 0.00 0.00 55.06 54.21 2bww s HIS 71 Cb 0.00 -2.05 0.06 0.00 1.11 0.00 0.00 32.58 31.70 2bww s HIS 71 CO 0.00 -0.20 0.59 0.54 -0.85 0.00 0.00 174.74 174.82 2bww s ASN 72 N 0.84 -0.54 0.15 1.40 2.20 -1.26 -1.35 114.94 116.38 2bww s ASN 72 Ca 0.00 0.45 -0.10 0.00 -0.94 0.00 0.00 52.86 52.27 2bww s ASN 72 Cb -0.14 0.50 0.00 0.00 -2.00 0.00 0.00 41.25 39.61 2bww s ASN 72 CO 0.02 -0.64 0.31 -1.38 -2.94 0.00 0.00 177.10 172.47 2bww s HIS 73 N -1.68 0.25 -0.06 1.54 -3.43 -0.42 -4.99 115.29 106.50 2bww s HIS 73 Ca -0.09 -0.62 0.05 0.00 -0.80 0.00 0.00 55.06 53.60 2bww s HIS 73 Cb -0.01 0.02 -0.01 0.00 -1.43 0.00 0.00 32.58 31.15 2bww s HIS 73 CO 0.05 -0.72 -0.22 -1.54 -2.00 0.00 0.00 174.74 170.31 2bww s SER 74 N -2.93 3.33 -0.08 7.38 1.04 -1.26 -0.82 113.70 120.36 2bww s SER 74 Ca 0.13 -0.44 0.05 0.00 0.48 0.00 0.00 55.95 56.17 2bww s SER 74 Cb 0.03 -0.91 -0.01 0.00 0.10 0.00 0.00 66.02 65.23 2bww s SER 74 CO -0.03 0.25 -0.24 -0.69 0.98 0.00 0.00 173.24 173.51 2bww s VAL 75 N -0.21 2.08 -0.16 5.02 1.01 0.19 -1.92 120.40 126.41 2bww s VAL 75 Ca -0.01 -1.04 -0.04 0.00 0.00 0.00 0.00 61.98 60.89 2bww s VAL 75 Cb -0.13 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 2bww s VAL 75 CO 0.03 0.57 -0.04 -0.22 0.00 0.00 0.00 175.10 175.44 2bww s LEU 76 N 0.06 3.21 -0.13 3.92 2.96 -0.15 0.16 118.68 128.70 2bww s LEU 76 Ca -0.10 -0.15 -0.15 0.00 -0.22 0.00 0.00 54.13 53.50 2bww s LEU 76 Cb -0.16 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 2bww s LEU 76 CO 0.06 0.16 0.37 -0.36 -1.32 0.00 0.00 176.35 175.25 2bww s PHE 77 N 0.43 3.51 0.22 5.38 0.08 0.45 -0.63 117.98 127.41 2bww s PHE 77 Ca -0.04 0.74 -0.12 0.00 0.12 0.00 0.00 56.93 57.62 2bww s PHE 77 Cb -0.14 -2.41 -0.00 0.00 -0.57 0.00 0.00 43.02 39.90 2bww s PHE 77 CO 0.03 0.26 0.43 0.54 -0.10 0.00 0.00 175.22 176.38 2bww s ASN 78 N 0.37 -0.08 0.38 1.36 4.22 -0.55 -0.50 114.94 120.13 2bww s ASN 78 Ca 0.21 -0.86 -0.28 0.00 -2.14 0.00 0.00 52.86 49.79 2bww s ASN 78 Cb -0.14 0.55 -0.10 0.00 1.28 0.00 0.00 41.25 42.84 2bww s ASN 78 CO 0.07 -1.07 1.39 -0.13 -2.04 0.00 0.00 177.10 175.32 2bww s ARG 79 N -3.99 4.11 0.64 3.55 0.52 -1.21 -0.40 118.95 122.17 2bww s ARG 79 Ca 0.20 2.36 -0.14 0.00 -0.52 0.00 0.00 55.73 57.63 2bww s ARG 79 Cb 0.00 -2.92 -0.01 0.00 0.52 0.00 0.00 34.95 32.54 2bww s ARG 79 CO 0.05 -0.45 1.07 0.54 0.02 0.00 0.00 175.30 176.54 2bww s VAL 80 N -1.16 3.66 0.65 3.52 0.11 -1.26 -3.65 120.40 122.27 2bww s VAL 80 Ca 0.53 0.72 -0.16 0.00 -2.93 0.00 0.00 61.98 60.15 2bww s VAL 80 Cb -0.42 -3.28 -0.01 0.00 -1.53 0.00 0.00 36.38 31.14 2bww s VAL 80 CO 0.56 -0.52 1.13 -0.13 -3.33 0.00 0.00 175.10 172.81 2bww s ARG 81 N -4.29 2.81 -0.30 1.54 0.52 -1.26 -4.78 118.95 113.19 2bww s ARG 81 Ca 0.63 1.50 -0.11 0.00 -0.52 0.00 0.00 55.73 57.24 2bww s ARG 81 Cb -0.17 -1.94 0.17 0.00 0.52 0.00 0.00 34.95 33.53 2bww s ARG 81 CO 0.42 -1.26 0.90 0.34 0.02 0.00 0.00 175.30 175.72 2bww s ASP 82 N -2.32 -0.75 0.23 0.23 3.68 -1.26 -5.06 116.67 111.43 2bww s ASP 82 Ca 0.69 0.68 -0.08 0.00 2.13 0.00 0.00 52.55 55.98 2bww s ASP 82 Cb -0.23 1.72 0.23 0.00 -1.45 0.00 0.00 42.92 43.19 2bww s ASP 82 CO 0.39 -0.14 1.89 0.25 0.13 0.00 0.00 175.17 177.69 2bww h LEU 83 N 7.82 0.97 0.38 -1.34 5.85 -2.00 -2.21 115.31 124.78 2bww h LEU 83 Ca -0.17 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 2bww h LEU 83 Cb 1.14 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.95 2bww h LEU 83 CO 0.06 0.69 -0.19 0.74 -0.34 0.00 0.00 178.44 179.39 2bww h THR 84 N 1.14 0.00 -1.01 1.05 2.02 -2.00 -2.12 112.91 111.99 2bww h THR 84 Ca 0.33 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.75 2bww h THR 84 Cb -0.07 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.22 2bww h THR 84 CO -0.09 0.00 0.62 0.00 0.37 0.00 0.00 175.52 176.42 2bww h ALA 85 N -1.73 1.89 0.11 6.16 0.00 -1.95 -2.30 119.26 121.43 2bww h ALA 85 Ca -0.05 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2bww h ALA 85 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2bww h ALA 85 CO 0.08 -0.33 -0.05 0.93 0.00 0.00 0.00 179.25 179.88 2bww h GLU 86 N 0.56 -0.14 -0.93 0.00 5.08 -1.41 1.62 114.58 119.35 2bww h GLU 86 Ca 0.62 0.01 0.28 0.00 -1.00 0.00 0.00 59.36 59.27 2bww h GLU 86 Cb 1.25 0.03 -0.16 0.00 0.50 0.00 0.00 28.75 30.37 2bww h GLU 86 CO -0.41 0.29 0.23 0.82 -1.00 0.00 0.00 179.01 178.94 2bww h ILE 87 N -0.94 0.18 0.00 3.13 2.04 -1.18 0.50 117.51 121.24 2bww h ILE 87 Ca -0.01 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2bww h ILE 87 Cb 0.49 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2bww h ILE 87 CO 0.02 0.02 0.00 0.79 0.00 0.00 0.00 178.15 178.99 2bww n TRP 88 N -5.30 0.00 0.98 1.37 7.02 -0.88 -4.55 117.44 116.07 2bww n TRP 88 Ca 0.25 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.73 2bww n TRP 88 Cb 0.81 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.70 2bww n TRP 88 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 2bww n PHE 89 N 0.00 0.00 0.00 -5.99 3.72 0.55 -4.84 117.46 110.90 2bww n PHE 89 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2bww n PHE 89 Cb 0.00 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 2bww n PHE 89 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bww n GLY 90 N 0.16 1.08 3.29 1.37 0.00 0.17 -4.91 105.19 106.36 2bww n GLY 90 Ca 0.00 -1.55 -0.39 0.00 0.00 0.00 0.00 46.02 44.08 2bww n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bww n ARG 91 N 1.32 0.10 -4.11 1.61 1.74 -1.25 -4.44 116.66 111.63 2bww n ARG 91 Ca 0.00 0.04 -0.15 0.00 -0.77 0.00 0.00 57.85 56.97 2bww n ARG 91 Cb 0.00 -1.14 -0.12 0.00 -1.02 0.00 0.00 32.46 30.18 2bww n ARG 91 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2bww s ARG 92 N -1.24 0.63 0.05 5.56 0.52 -1.26 -5.04 118.95 118.17 2bww s ARG 92 Ca 0.59 -0.80 -0.19 0.00 -0.52 0.00 0.00 55.73 54.81 2bww s ARG 92 Cb -0.48 -0.49 -0.14 0.00 0.52 0.00 0.00 34.95 34.36 2bww s ARG 92 CO 0.64 0.10 1.33 1.25 0.02 0.00 0.00 175.30 178.64 2bww h LEU 93 N 4.49 0.46 0.00 2.53 5.85 -1.93 -3.47 115.31 123.24 2bww h LEU 93 Ca -0.37 -0.51 0.04 0.00 0.84 0.00 0.00 57.88 57.87 2bww h LEU 93 Cb 1.20 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2bww h LEU 93 CO 0.41 0.88 -0.05 0.61 -0.34 0.00 0.00 178.44 179.95 2bww n GLY 94 N 0.29 -2.03 0.09 3.75 0.00 -1.24 -4.32 105.19 101.72 2bww n GLY 94 Ca -0.06 -1.40 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 2bww n GLY 94 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2bww h GLN 95 N 0.00 0.05 0.12 1.61 7.50 -1.89 -3.33 115.11 119.17 2bww h GLN 95 Ca 0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 58.65 59.07 2bww h GLN 95 Cb 0.12 0.03 0.00 0.00 0.05 0.00 0.00 27.48 27.69 2bww h GLN 95 CO 0.00 0.70 -0.06 -0.44 -1.50 0.00 0.00 178.83 177.53 2bww h ASP 96 N 0.01 -0.14 1.53 1.46 3.32 -1.91 -3.21 116.42 117.48 2bww h ASP 96 Ca -0.25 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2bww h ASP 96 Cb 1.97 0.04 0.00 0.00 0.22 0.00 0.00 39.33 41.56 2bww h ASP 96 CO 0.10 0.13 0.00 0.00 -1.72 0.00 0.00 179.24 177.75 2bww h ALA 97 N 0.43 1.00 -0.08 3.45 0.00 -1.77 -3.39 119.26 118.91 2bww h ALA 97 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2bww h ALA 97 Cb 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2bww h ALA 97 CO 0.03 0.00 0.03 0.00 0.00 0.00 0.00 179.25 179.31 2bww h ALA 98 N 2.27 0.10 -0.66 0.00 0.00 -1.66 -0.68 119.26 118.63 2bww h ALA 98 Ca 0.00 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 54.95 2bww h ALA 98 Cb 0.77 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.42 2bww h ALA 98 CO 0.00 -0.30 0.08 -1.35 0.00 0.00 0.00 179.25 177.67 2bww h PRO 99 N -0.05 0.18 0.03 0.00 0.11 -1.75 -0.84 132.00 129.68 2bww h PRO 99 Ca 0.03 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.03 2bww h PRO 99 Cb 0.19 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 31.27 2bww h PRO 99 CO -0.00 0.12 -0.40 1.49 -0.21 0.00 0.00 178.00 178.99 2bww h GLU 100 N 0.18 0.22 -0.11 1.05 4.22 -1.77 -0.06 114.58 118.31 2bww h GLU 100 Ca 0.36 -0.28 0.02 0.00 0.08 0.00 0.00 59.36 59.54 2bww h GLU 100 Cb 0.59 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 2bww h GLU 100 CO -0.51 1.04 -0.03 -0.22 -2.18 0.00 0.00 179.01 177.10 2bww h LYS 101 N -0.46 -0.00 -0.52 1.92 1.63 -0.99 -3.25 116.57 114.89 2bww h LYS 101 Ca -0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2bww h LYS 101 Cb 1.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 2bww h LYS 101 CO 0.08 -0.00 0.00 1.28 -3.45 0.00 0.00 179.45 177.36 2bww n LEU 102 N -5.16 3.41 -3.23 5.20 4.77 -0.33 -5.00 117.00 116.66 2bww n LEU 102 Ca -0.04 -1.96 -0.23 0.00 -0.03 0.00 0.00 56.01 53.74 2bww n LEU 102 Cb 0.09 -0.35 0.03 0.00 -2.33 0.00 0.00 43.42 40.86 2bww n LEU 102 CO 0.28 0.85 0.02 0.61 -1.33 0.00 0.00 177.39 177.81 2bww n GLY 103 N 1.08 -0.51 3.92 -0.72 0.00 -0.09 -4.98 105.19 103.88 2bww n GLY 103 Ca 0.18 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 46.12 2bww n GLY 103 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bww s VAL 104 N -3.13 4.99 0.04 1.61 -7.23 -0.84 -5.01 120.40 110.83 2bww s VAL 104 Ca 0.38 -1.10 -0.16 0.00 -1.81 0.00 0.00 61.98 59.30 2bww s VAL 104 Cb -0.18 -3.69 -0.26 0.00 0.56 0.00 0.00 36.38 32.81 2bww s VAL 104 CO 0.47 -0.31 1.12 0.44 -0.31 0.00 0.00 175.10 176.51 2bww h ASP 105 N 1.39 0.80 -4.99 4.85 3.32 -1.74 -3.39 116.42 116.67 2bww h ASP 105 Ca -0.50 -0.79 -0.17 0.00 0.02 0.00 0.00 57.03 55.59 2bww h ASP 105 Cb 1.23 -0.25 -0.21 0.00 0.22 0.00 0.00 39.33 40.32 2bww h ASP 105 CO 0.62 1.49 -0.70 -0.60 -1.72 0.00 0.00 179.24 178.33 2bww s ARG 106 N -3.12 0.33 -0.02 3.56 3.52 -0.81 -4.92 118.95 117.50 2bww s ARG 106 Ca -0.11 -0.65 -0.00 0.00 -0.13 0.00 0.00 55.73 54.84 2bww s ARG 106 Cb 0.05 0.10 0.03 0.00 -1.56 0.00 0.00 34.95 33.57 2bww s ARG 106 CO 0.90 -0.05 0.03 0.00 -0.81 0.00 0.00 175.30 175.37 2bww s ALA 107 N -1.59 0.11 0.20 6.12 0.00 -1.26 -0.98 121.76 124.36 2bww s ALA 107 Ca -0.15 0.29 0.09 0.00 0.00 0.00 0.00 51.96 52.19 2bww s ALA 107 Cb -0.09 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 2bww s ALA 107 CO -0.01 -0.13 -0.17 -0.51 0.00 0.00 0.00 175.76 174.94 2bww s LEU 108 N 1.14 2.51 0.22 0.00 1.43 0.20 -4.87 118.68 119.30 2bww s LEU 108 Ca -0.08 -0.95 -0.30 0.00 -1.03 0.00 0.00 54.13 51.77 2bww s LEU 108 Cb -0.13 -0.80 -0.09 0.00 0.03 0.00 0.00 46.19 45.21 2bww s LEU 108 CO -0.03 -0.08 1.30 0.00 0.23 0.00 0.00 176.35 177.77 2bww s ALA 109 N -2.49 3.52 0.39 4.21 0.00 -1.26 -1.49 121.76 124.64 2bww s ALA 109 Ca 0.20 1.12 0.06 0.00 0.00 0.00 0.00 51.96 53.34 2bww s ALA 109 Cb -0.04 -3.48 0.79 0.00 0.00 0.00 0.00 23.12 20.39 2bww s ALA 109 CO 0.08 -0.54 2.02 0.35 0.00 0.00 0.00 175.76 177.67 2bww h PHE 110 N 5.11 0.64 0.00 0.00 3.57 -1.03 -0.95 116.94 124.27 2bww h PHE 110 Ca -0.45 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.06 2bww h PHE 110 Cb 1.22 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.74 2bww h PHE 110 CO 0.61 0.38 0.00 -1.13 -2.23 0.00 0.00 178.31 175.94 2bww n SER 111 N -4.46 0.00 -0.92 0.41 3.41 -1.26 -1.38 113.62 109.41 2bww n SER 111 Ca 0.06 0.45 0.10 0.00 -0.26 0.00 0.00 58.87 59.22 2bww n SER 111 Cb 0.11 -0.47 0.14 0.00 -0.26 0.00 0.00 64.21 63.74 2bww n SER 111 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2bww n GLU 112 N -1.47 2.11 0.07 4.33 -0.58 -0.36 -4.74 120.64 120.00 2bww n GLU 112 Ca 0.02 -1.95 0.04 0.00 -0.42 0.00 0.00 57.16 54.85 2bww n GLU 112 Cb 0.10 -1.42 0.46 0.00 -0.57 0.00 0.00 31.44 30.00 2bww n GLU 112 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 2bww h ILE 113 N 3.92 1.10 0.00 -3.67 2.10 -1.28 0.18 117.51 119.86 2bww h ILE 113 Ca 0.00 -0.26 -0.03 0.00 1.08 0.00 0.00 64.86 65.65 2bww h ILE 113 Cb 0.87 0.72 -0.00 0.00 -1.09 0.00 0.00 36.82 37.32 2bww h ILE 113 CO 0.00 0.11 -0.13 0.78 -1.08 0.00 0.00 178.15 177.83 2bww h ASN 114 N 0.40 0.00 1.12 2.19 2.35 -1.85 0.16 115.58 119.94 2bww h ASN 114 Ca 0.10 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.78 2bww h ASN 114 Cb 0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 2bww h ASN 114 CO -0.02 0.13 -0.92 1.56 -1.65 0.00 0.00 177.43 176.53 2bww h GLN 115 N 0.00 0.00 0.00 0.81 7.50 -1.35 -3.41 115.11 118.66 2bww h GLN 115 Ca -0.00 0.00 -0.16 0.00 0.50 0.00 0.00 58.65 58.99 2bww h GLN 115 Cb 0.87 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.38 2bww h GLN 115 CO 0.02 0.19 -1.62 1.04 -1.50 0.00 0.00 178.83 176.96 2bww n GLN 116 N -2.90 1.21 -0.24 1.46 1.13 -0.65 -4.72 117.38 112.67 2bww n GLN 116 Ca -0.02 0.04 -0.06 0.00 -1.94 0.00 0.00 57.00 55.01 2bww n GLN 116 Cb 0.68 -1.22 0.05 0.00 0.11 0.00 0.00 30.24 29.85 2bww n GLN 116 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2bww h LEU 117 N 0.00 0.82 -1.88 1.08 5.85 -0.92 -1.98 115.31 118.28 2bww h LEU 117 Ca -0.24 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 2bww h LEU 117 Cb 1.44 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 2bww h LEU 117 CO -0.02 0.66 -0.09 0.10 -0.34 0.00 0.00 178.44 178.75 2bww h TYR 118 N 0.92 0.00 -0.29 1.25 -0.00 -1.82 -1.29 116.97 115.73 2bww h TYR 118 Ca 0.24 0.00 -0.13 0.00 -0.00 0.00 0.00 58.73 58.84 2bww h TYR 118 Cb -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.72 2bww h TYR 118 CO -0.01 0.09 -0.36 1.96 -0.00 0.00 0.00 178.16 179.84 2bww h GLN 119 N 0.00 0.65 0.00 0.10 4.20 -1.65 -0.38 115.11 118.03 2bww h GLN 119 Ca -0.00 -0.32 -0.08 0.00 0.06 0.00 0.00 58.65 58.31 2bww h GLN 119 Cb 0.17 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2bww h GLN 119 CO 0.01 0.92 -0.38 -0.07 -0.67 0.00 0.00 178.83 178.63 2bww h LEU 120 N 0.55 0.00 0.00 1.46 3.38 -1.03 -3.21 115.31 116.46 2bww h LEU 120 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2bww h LEU 120 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2bww h LEU 120 CO 0.08 0.38 -1.13 0.18 0.09 0.00 0.00 178.44 178.04 2bww n LEU 121 N -3.93 0.74 -4.61 1.67 4.77 -0.80 -4.88 117.00 109.96 2bww n LEU 121 Ca -0.02 0.28 -0.52 0.00 -0.03 0.00 0.00 56.01 55.73 2bww n LEU 121 Cb 0.44 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 2bww n LEU 121 CO 0.38 -0.16 0.96 -3.20 -1.33 0.00 0.00 177.39 174.04 2bww n ASN 122 N -2.61 1.86 0.00 -1.43 5.15 -0.18 -1.96 115.26 116.09 2bww n ASN 122 Ca -0.01 1.11 0.00 0.00 -0.60 0.00 0.00 54.58 55.09 2bww n ASN 122 Cb 0.55 -1.22 0.00 0.00 -0.53 0.00 0.00 39.78 38.58 2bww n ASN 122 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bww n GLY 123 N 2.73 1.06 3.87 8.20 0.00 -0.65 -4.96 105.19 115.44 2bww n GLY 123 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 2bww n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bww s LEU 124 N 0.00 3.39 -0.05 0.99 1.43 -0.83 -5.00 118.68 118.61 2bww s LEU 124 Ca 0.00 1.37 0.05 0.00 -1.03 0.00 0.00 54.13 54.52 2bww s LEU 124 Cb 0.00 -4.38 -0.24 0.00 0.03 0.00 0.00 46.19 41.60 2bww s LEU 124 CO 0.00 -0.75 0.62 0.44 0.23 0.00 0.00 176.35 176.89 2bww h ASP 125 N 0.07 0.15 -3.87 2.29 3.32 -1.48 -3.18 116.42 113.73 2bww h ASP 125 Ca -0.45 -0.32 -0.39 0.00 0.02 0.00 0.00 57.03 55.89 2bww h ASP 125 Cb 1.19 -0.05 -0.30 0.00 0.22 0.00 0.00 39.33 40.39 2bww h ASP 125 CO 0.62 1.28 -0.77 -0.69 -1.72 0.00 0.00 179.24 177.96 2bww s VAL 126 N -2.59 0.63 -0.09 -1.35 1.01 -1.14 -2.82 120.40 114.05 2bww s VAL 126 Ca -0.10 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.63 2bww s VAL 126 Cb 0.08 -0.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 2bww s VAL 126 CO 0.81 0.19 -0.23 0.54 0.00 0.00 0.00 175.10 176.42 2bww s VAL 127 N 0.08 2.19 -0.27 2.92 0.11 -0.47 -2.11 120.40 122.85 2bww s VAL 127 Ca -0.01 -0.99 -0.13 0.00 -2.93 0.00 0.00 61.98 57.92 2bww s VAL 127 Cb -0.06 -1.83 -0.04 0.00 -1.53 0.00 0.00 36.38 32.92 2bww s VAL 127 CO -0.00 0.56 0.28 -0.31 -3.33 0.00 0.00 175.10 172.30 2bww s TYR 128 N 0.15 3.25 -0.10 1.54 1.51 0.41 -1.09 117.35 123.02 2bww s TYR 128 Ca -0.13 0.29 -0.09 0.00 -1.01 0.00 0.00 57.07 56.13 2bww s TYR 128 Cb -0.16 -2.46 0.03 0.00 -0.11 0.00 0.00 41.96 39.25 2bww s TYR 128 CO 0.07 -0.16 0.27 -1.58 -1.11 0.00 0.00 175.55 173.04 2bww s HIS 129 N 1.80 -0.30 -1.09 2.71 2.46 -0.34 -0.84 115.29 119.69 2bww s HIS 129 Ca 0.11 0.73 -0.16 0.00 0.47 0.00 0.00 55.06 56.22 2bww s HIS 129 Cb -0.16 0.10 0.16 0.00 -0.13 0.00 0.00 32.58 32.56 2bww s HIS 129 CO 0.10 -0.15 1.29 0.00 -2.47 0.00 0.00 174.74 173.51 2bww s ALA 130 N 0.17 3.78 0.32 1.58 0.00 -1.26 -3.91 121.76 122.44 2bww s ALA 130 Ca -0.00 -3.15 -0.29 0.00 0.00 0.00 0.00 51.96 48.52 2bww s ALA 130 Cb -0.02 -4.07 -0.11 0.00 0.00 0.00 0.00 23.12 18.92 2bww s ALA 130 CO 0.00 -2.82 1.50 -1.14 0.00 0.00 0.00 175.76 173.29 2bww s GLN 131 N 1.89 4.17 0.00 0.00 0.74 -1.26 -2.49 119.66 122.70 2bww s GLN 131 Ca 0.38 2.49 0.00 0.00 0.05 0.00 0.00 55.36 58.28 2bww s GLN 131 Cb -0.04 -3.02 0.00 0.00 1.10 0.00 0.00 33.01 31.05 2bww s GLN 131 CO -0.04 -0.51 0.00 0.41 -0.55 0.00 0.00 175.29 174.60 2bww n GLY 132 N 1.38 1.17 0.07 2.59 0.00 -1.26 -4.92 105.19 104.22 2bww n GLY 132 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 2bww n GLY 132 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2bww h GLU 133 N 3.08 -0.04 -4.57 1.61 4.57 -1.93 -3.44 114.58 113.86 2bww h GLU 133 Ca 0.00 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.82 2bww h GLU 133 Cb 0.00 0.01 -0.28 0.00 -0.16 0.00 0.00 28.75 28.32 2bww h GLU 133 CO 0.00 0.44 -0.77 0.71 -1.18 0.00 0.00 179.01 178.21 2bww s TYR 134 N -4.20 0.68 0.15 0.92 2.02 -1.26 -5.06 117.35 110.60 2bww s TYR 134 Ca -0.16 -0.16 -0.14 0.00 -0.37 0.00 0.00 57.07 56.25 2bww s TYR 134 Cb 0.02 -0.43 0.03 0.00 -0.40 0.00 0.00 41.96 41.18 2bww s TYR 134 CO 0.65 -0.01 1.68 0.00 -1.57 0.00 0.00 175.55 176.30 2bww h ALA 135 N 5.83 0.65 -0.28 3.71 0.00 -2.00 -2.46 119.26 124.71 2bww h ALA 135 Ca -0.30 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 2bww h ALA 135 Cb 1.19 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2bww h ALA 135 CO 0.49 0.30 -0.06 0.10 0.00 0.00 0.00 179.25 180.09 2bww h TYR 136 N 0.68 0.47 -0.16 0.00 -0.00 -1.99 -2.05 116.97 113.91 2bww h TYR 136 Ca 0.16 -0.05 -0.05 0.00 -0.00 0.00 0.00 58.73 58.79 2bww h TYR 136 Cb 0.26 -0.13 -0.00 0.00 -0.00 0.00 0.00 36.73 36.86 2bww h TYR 136 CO 0.01 0.50 -0.11 0.00 -0.00 0.00 0.00 178.16 178.56 2bww h ALA 137 N 1.52 0.23 -0.80 0.10 0.00 -1.92 -2.37 119.26 116.03 2bww h ALA 137 Ca 0.09 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.75 2bww h ALA 137 Cb 0.37 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 2bww h ALA 137 CO 0.02 0.08 0.52 -0.44 0.00 0.00 0.00 179.25 179.42 2bww h ASP 138 N 0.01 0.80 -0.54 0.00 3.32 -1.22 0.08 116.42 118.87 2bww h ASP 138 Ca 0.03 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 2bww h ASP 138 Cb 0.62 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 2bww h ASP 138 CO 0.03 0.53 -0.02 0.58 -1.72 0.00 0.00 179.24 178.65 2bww h VAL 139 N 0.92 1.27 -0.22 -1.35 2.07 -1.26 0.04 116.25 117.72 2bww h VAL 139 Ca 0.33 -1.13 -0.06 0.00 0.82 0.00 0.00 66.70 66.66 2bww h VAL 139 Cb 0.14 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2bww h VAL 139 CO -0.11 0.40 -0.09 0.40 0.02 0.00 0.00 177.57 178.19 2bww h ILE 140 N 0.84 1.30 -0.31 4.57 2.04 -0.79 -1.50 117.51 123.67 2bww h ILE 140 Ca 0.15 -1.15 -0.06 0.00 1.00 0.00 0.00 64.86 64.80 2bww h ILE 140 Cb 0.56 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 2bww h ILE 140 CO 0.03 0.35 -0.06 0.58 0.00 0.00 0.00 178.15 179.05 2bww h VAL 141 N 0.15 1.28 -0.25 1.67 2.07 -0.97 -1.36 116.25 118.84 2bww h VAL 141 Ca 0.05 -1.09 -0.08 0.00 0.82 0.00 0.00 66.70 66.40 2bww h VAL 141 Cb 0.58 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2bww h VAL 141 CO 0.03 0.35 -0.20 0.78 0.02 0.00 0.00 177.57 178.55 2bww h ASN 142 N 0.36 0.44 -0.41 0.57 2.35 -1.01 -1.59 115.58 116.28 2bww h ASN 142 Ca 0.08 -0.13 -0.12 0.00 -0.55 0.00 0.00 56.30 55.58 2bww h ASN 142 Cb 0.54 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 2bww h ASN 142 CO 0.03 0.65 -0.20 -1.28 -1.65 0.00 0.00 177.43 174.98 2bww h SER 143 N 0.40 0.89 -0.72 5.81 0.87 -1.12 -1.74 113.55 117.94 2bww h SER 143 Ca 0.07 -0.40 -0.02 0.00 -1.23 0.00 0.00 61.79 60.20 2bww h SER 143 Cb 0.58 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 2bww h SER 143 CO 0.04 1.10 0.36 0.00 -0.53 0.00 0.00 176.83 177.80 2bww h ALA 144 N 0.82 0.92 -0.11 6.23 0.00 -0.95 -2.83 119.26 123.35 2bww h ALA 144 Ca 0.09 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 2bww h ALA 144 Cb 0.76 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2bww h ALA 144 CO 0.06 0.47 -0.54 -0.07 0.00 0.00 0.00 179.25 179.17 2bww h LEU 145 N 1.00 0.34 -0.65 0.00 3.38 -1.19 -2.90 115.31 115.30 2bww h LEU 145 Ca 0.25 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 2bww h LEU 145 Cb 0.09 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2bww h LEU 145 CO -0.03 0.82 0.08 -0.33 0.09 0.00 0.00 178.44 179.07 2bww h GLU 146 N 0.24 1.09 -0.68 1.13 4.39 -1.25 -0.26 114.58 119.24 2bww h GLU 146 Ca 0.00 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.40 2bww h GLU 146 Cb 1.03 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.53 2bww h GLU 146 CO 0.09 1.02 0.44 0.87 -1.16 0.00 0.00 179.01 180.27 2bww h LYS 147 N 1.01 0.91 -0.39 2.33 1.57 -1.48 -0.02 116.57 120.49 2bww h LYS 147 Ca 0.19 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 2bww h LYS 147 Cb 0.48 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2bww h LYS 147 CO 0.02 0.61 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.33 2bww h LEU 148 N 0.93 0.77 -0.59 2.94 3.38 -1.35 -2.76 115.31 118.63 2bww h LEU 148 Ca 0.25 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2bww h LEU 148 Cb -0.09 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 2bww h LEU 148 CO -0.05 0.96 0.27 0.03 0.09 0.00 0.00 178.44 179.73 2bww h ARG 149 N 0.57 0.86 -0.53 1.13 3.08 -0.82 -2.97 114.38 115.70 2bww h ARG 149 Ca 0.10 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2bww h ARG 149 Cb 0.63 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2bww h ARG 149 CO 0.04 0.71 0.00 1.63 -1.07 0.00 0.00 179.97 181.28 2bww n LYS 150 N -4.51 2.33 -0.84 0.04 5.02 -0.04 -4.34 118.16 115.82 2bww n LYS 150 Ca 0.03 -1.51 0.01 0.00 -2.02 0.00 0.00 58.31 54.82 2bww n LYS 150 Cb 0.14 -1.52 0.18 0.00 -0.02 0.00 0.00 35.03 33.80 2bww n LYS 150 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bww n GLY 151 N 0.85 5.36 0.25 0.72 0.00 -1.05 -4.75 105.19 106.57 2bww n GLY 151 Ca 0.14 -1.54 0.02 0.00 0.00 0.00 0.00 46.02 44.64 2bww n GLY 151 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bww h SER 152 N 1.20 0.29 0.75 1.61 4.64 -1.75 -1.10 113.55 119.19 2bww h SER 152 Ca 0.07 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 2bww h SER 152 Cb 1.10 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2bww h SER 152 CO 0.14 0.41 -0.06 0.03 -0.87 0.00 0.00 176.83 176.47 2bww h ARG 153 N 0.30 0.00 -0.69 4.77 3.08 -1.89 -0.47 114.38 119.48 2bww h ARG 153 Ca 0.06 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 2bww h ARG 153 Cb 0.33 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.31 2bww h ARG 153 CO 0.02 0.06 0.14 1.04 -1.07 0.00 0.00 179.97 180.15 2bww n GLN 154 N -3.23 4.20 -3.87 0.04 3.00 -0.78 -4.96 117.38 111.77 2bww n GLN 154 Ca -0.00 -2.99 -0.30 0.00 -0.01 0.00 0.00 57.00 53.69 2bww n GLN 154 Cb 0.28 -2.22 0.01 0.00 0.00 0.00 0.00 30.24 28.32 2bww n GLN 154 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2bww n ASN 155 N 0.23 -4.55 -4.84 1.08 3.02 -0.19 -5.00 115.26 105.02 2bww n ASN 155 Ca 0.33 -0.75 -0.31 0.00 -0.03 0.00 0.00 54.58 53.82 2bww n ASN 155 Cb 1.26 -3.65 -0.05 0.00 -0.61 0.00 0.00 39.78 36.73 2bww n ASN 155 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2bww s LEU 156 N -7.18 4.07 -0.06 3.41 1.43 -0.49 -4.98 118.68 114.88 2bww s LEU 156 Ca 0.64 0.12 -0.07 0.00 -1.03 0.00 0.00 54.13 53.79 2bww s LEU 156 Cb -0.33 -2.71 0.02 0.00 0.03 0.00 0.00 46.19 43.20 2bww s LEU 156 CO 0.79 0.17 0.19 0.42 0.23 0.00 0.00 176.35 178.16 2bww s THR 157 N -1.44 0.02 0.22 5.49 -4.23 -1.25 -3.82 115.64 110.62 2bww s THR 157 Ca 0.32 -0.16 -0.09 0.00 -1.18 0.00 0.00 61.69 60.58 2bww s THR 157 Cb -0.13 -0.33 -0.07 0.00 1.34 0.00 0.00 72.50 73.32 2bww s THR 157 CO 0.25 -0.09 0.53 0.00 -0.54 0.00 0.00 174.62 174.77 2bww s ALA 158 N -0.25 3.59 0.15 3.99 0.00 -1.26 -1.63 121.76 126.35 2bww s ALA 158 Ca -0.04 -0.30 -0.31 0.00 0.00 0.00 0.00 51.96 51.31 2bww s ALA 158 Cb -0.03 -2.40 -0.10 0.00 0.00 0.00 0.00 23.12 20.59 2bww s ALA 158 CO 0.01 0.52 1.56 -1.25 0.00 0.00 0.00 175.76 176.61 2bww s PRO 159 N -2.76 4.22 0.42 0.00 0.04 -1.20 -4.88 135.00 130.84 2bww s PRO 159 Ca 0.46 2.34 0.26 0.00 0.04 0.00 0.00 61.00 64.11 2bww s PRO 159 Cb -0.11 -3.19 0.74 0.00 0.04 0.00 0.00 34.50 31.97 2bww s PRO 159 CO 0.21 -0.61 1.74 0.00 0.04 0.00 0.00 177.00 178.39 2bww h ALA 160 N 6.92 1.00 -3.11 8.56 0.00 -1.79 -3.45 119.26 127.39 2bww h ALA 160 Ca -0.43 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 53.83 2bww h ALA 160 Cb 1.20 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 18.73 2bww h ALA 160 CO 0.91 0.00 -0.71 0.99 0.00 0.00 0.00 179.25 180.44 2bww s THR 161 N -3.32 3.47 -0.09 0.00 2.01 -1.13 -5.07 115.64 111.51 2bww s THR 161 Ca 0.06 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 61.60 2bww s THR 161 Cb 0.08 -2.55 -0.02 0.00 0.01 0.00 0.00 72.50 70.02 2bww s THR 161 CO 0.60 0.45 -0.14 -0.32 -0.69 0.00 0.00 174.62 174.53 2bww s MET 162 N 1.06 2.99 -0.03 4.92 1.75 -1.26 -1.36 119.30 127.36 2bww s MET 162 Ca 0.01 -0.69 0.04 0.00 -1.25 0.00 0.00 55.69 53.79 2bww s MET 162 Cb -0.15 -2.51 -0.00 0.00 2.84 0.00 0.00 34.83 35.01 2bww s MET 162 CO -0.00 0.40 -0.14 0.42 -0.65 0.00 0.00 175.02 175.05 2bww s ILE 163 N -0.13 1.16 -0.14 10.11 1.01 -0.25 -4.98 121.20 127.98 2bww s ILE 163 Ca -0.01 -0.58 -0.29 0.00 0.00 0.00 0.00 60.65 59.77 2bww s ILE 163 Cb -0.14 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.31 2bww s ILE 163 CO 0.03 0.34 1.41 -0.62 0.00 0.00 0.00 174.94 176.11 2bww s ASP 164 N 0.04 6.81 0.06 3.58 -1.08 -1.25 -1.20 116.67 123.62 2bww s ASP 164 Ca -0.02 1.84 0.28 0.00 -0.52 0.00 0.00 52.55 54.12 2bww s ASP 164 Cb -0.10 -2.54 1.06 0.00 -1.46 0.00 0.00 42.92 39.88 2bww s ASP 164 CO 0.01 -0.86 1.84 -2.67 0.52 0.00 0.00 175.17 174.01 2bww n TRP 165 N 6.94 0.25 -0.11 -5.34 4.27 -1.26 -4.28 117.44 117.91 2bww n TRP 165 Ca 0.15 0.07 -0.07 0.00 -3.89 0.00 0.00 57.50 53.76 2bww n TRP 165 Cb 0.44 -0.60 0.01 0.00 -1.36 0.00 0.00 31.31 29.80 2bww n TRP 165 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2bww h ARG 166 N 0.00 0.42 -0.90 -2.67 3.08 -1.91 0.16 114.38 112.57 2bww h ARG 166 Ca 0.00 -0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.12 2bww h ARG 166 Cb 0.57 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.45 2bww h ARG 166 CO 0.00 0.28 0.54 -1.35 -1.07 0.00 0.00 179.97 178.37 2bww h PRO 167 N 0.44 0.88 -0.03 0.04 0.11 -1.99 0.22 132.00 131.66 2bww h PRO 167 Ca 0.15 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 2bww h PRO 167 Cb 0.01 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 30.92 2bww h PRO 167 CO -0.07 0.58 -0.01 0.28 -0.21 0.00 0.00 178.00 178.57 2bww h VAL 168 N 0.90 1.28 -0.50 3.15 2.07 -1.64 -2.04 116.25 119.48 2bww h VAL 168 Ca 0.43 -0.87 -0.09 0.00 0.82 0.00 0.00 66.70 66.99 2bww h VAL 168 Cb 0.36 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 2bww h VAL 168 CO -0.24 0.23 -0.03 0.58 0.02 0.00 0.00 177.57 178.13 2bww h VAL 169 N -0.28 1.27 -0.03 2.57 2.07 -0.49 -2.79 116.25 118.57 2bww h VAL 169 Ca 0.01 -1.13 -0.09 0.00 0.82 0.00 0.00 66.70 66.31 2bww h VAL 169 Cb 0.38 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2bww h VAL 169 CO 0.00 0.40 -0.39 0.45 0.02 0.00 0.00 177.57 178.05 2bww h HIS 170 N 0.76 0.08 -0.02 1.57 3.86 -0.59 -0.76 115.15 120.05 2bww h HIS 170 Ca 0.14 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.26 2bww h HIS 170 Cb 0.56 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 2bww h HIS 170 CO 0.04 0.46 -0.32 1.49 0.86 0.00 0.00 177.93 180.46 2bww h GLU 171 N 0.06 0.04 -0.07 2.45 4.57 -1.23 -1.65 114.58 118.75 2bww h GLU 171 Ca 0.00 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 2bww h GLU 171 Cb 0.73 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 2bww h GLU 171 CO 0.05 0.36 -0.13 0.52 -1.18 0.00 0.00 179.01 178.63 2bww h MET 172 N 0.04 0.21 -0.04 1.92 2.86 -0.97 -3.19 114.93 115.76 2bww h MET 172 Ca 0.00 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 2bww h MET 172 Cb 0.58 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 2bww h MET 172 CO 0.04 0.71 0.03 0.00 1.06 0.00 0.00 176.91 178.76 2bww h ARG 173 N -0.26 0.00 -0.18 1.72 3.08 -1.06 -2.58 114.38 115.10 2bww h ARG 173 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2bww h ARG 173 Cb 0.70 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 2bww h ARG 173 CO 0.03 0.00 0.04 1.25 -1.07 0.00 0.00 179.97 180.22 2bww h LEU 174 N 0.00 0.22 -8.48 3.04 5.85 -1.29 -3.39 115.31 111.27 2bww h LEU 174 Ca 0.02 -0.02 -0.68 0.00 0.84 0.00 0.00 57.88 58.04 2bww h LEU 174 Cb 0.07 -0.06 -0.24 0.00 0.37 0.00 0.00 40.66 40.81 2bww h LEU 174 CO -0.00 0.23 -0.59 -0.36 -0.34 0.00 0.00 178.44 177.39 2bww s PHE 175 N -5.08 3.16 0.19 1.25 0.40 -0.97 -4.13 117.98 112.80 2bww s PHE 175 Ca -0.06 -0.77 -0.20 0.00 -0.60 0.00 0.00 56.93 55.30 2bww s PHE 175 Cb 0.17 -2.31 -0.08 0.00 0.51 0.00 0.00 43.02 41.31 2bww s PHE 175 CO 0.71 -0.52 0.70 0.15 0.70 0.00 0.00 175.22 176.96 2bww s LYS 176 N 1.56 4.25 0.69 0.44 3.01 -0.26 -4.95 119.74 124.48 2bww s LYS 176 Ca 0.04 0.85 -0.08 0.00 -1.01 0.00 0.00 55.97 55.77 2bww s LYS 176 Cb -0.17 -2.97 0.04 0.00 -1.01 0.00 0.00 37.83 33.72 2bww s LYS 176 CO 0.04 0.45 1.02 -1.54 0.51 0.00 0.00 175.35 175.83 2bww s SER 177 N -1.54 5.09 0.26 2.83 1.04 -1.26 -4.78 113.70 115.33 2bww s SER 177 Ca 0.40 0.67 -0.02 0.00 0.48 0.00 0.00 55.95 57.49 2bww s SER 177 Cb -0.18 -1.42 0.55 0.00 0.10 0.00 0.00 66.02 65.07 2bww s SER 177 CO 0.21 -1.45 1.70 -0.65 0.98 0.00 0.00 173.24 174.04 2bww h PRO 178 N -0.55 0.37 -0.19 4.02 0.11 -1.98 -0.24 132.00 133.53 2bww h PRO 178 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2bww h PRO 178 Cb 1.29 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2bww h PRO 178 CO 0.62 0.24 0.09 0.93 -0.21 0.00 0.00 178.00 179.67 2bww h GLU 179 N 0.38 0.28 -0.83 1.05 5.08 -1.93 -1.42 114.58 117.18 2bww h GLU 179 Ca 0.46 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.83 2bww h GLU 179 Cb 0.79 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.93 2bww h GLU 179 CO -0.48 0.32 0.52 0.93 -1.00 0.00 0.00 179.01 179.30 2bww h GLU 180 N 0.17 0.95 -0.31 2.33 5.08 -1.81 -1.23 114.58 119.77 2bww h GLU 180 Ca 0.07 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2bww h GLU 180 Cb 0.14 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2bww h GLU 180 CO -0.01 0.63 -0.11 0.82 -1.00 0.00 0.00 179.01 179.34 2bww h ILE 181 N 0.98 1.23 -0.43 3.13 2.04 -0.80 -0.57 117.51 123.08 2bww h ILE 181 Ca 0.35 -1.01 -0.13 0.00 1.00 0.00 0.00 64.86 65.06 2bww h ILE 181 Cb 0.11 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 2bww h ILE 181 CO -0.15 0.33 -0.26 0.00 0.00 0.00 0.00 178.15 178.08 2bww h ALA 182 N 1.40 0.61 -0.27 1.87 0.00 -0.47 0.19 119.26 122.59 2bww h ALA 182 Ca 0.09 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 2bww h ALA 182 Cb 0.49 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2bww h ALA 182 CO 0.03 0.63 0.09 0.28 0.00 0.00 0.00 179.25 180.28 2bww h VAL 183 N 0.77 1.19 -0.51 0.00 2.07 -0.88 -2.13 116.25 116.77 2bww h VAL 183 Ca 0.09 -0.61 -0.07 0.00 0.82 0.00 0.00 66.70 66.93 2bww h VAL 183 Cb 0.84 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 2bww h VAL 183 CO 0.07 0.20 0.02 -0.07 0.02 0.00 0.00 177.57 177.81 2bww h LEU 184 N 0.27 0.81 -0.70 2.57 3.38 -1.01 -0.32 115.31 120.32 2bww h LEU 184 Ca 0.09 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 57.94 2bww h LEU 184 Cb 0.23 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 2bww h LEU 184 CO -0.00 0.87 0.37 -0.09 0.09 0.00 0.00 178.44 179.67 2bww h ARG 185 N 0.79 0.64 -0.15 1.13 2.43 -0.42 0.39 114.38 119.19 2bww h ARG 185 Ca 0.15 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 59.12 2bww h ARG 185 Cb 0.45 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2bww h ARG 185 CO 0.02 0.42 -0.61 -0.09 -1.51 0.00 0.00 179.97 178.20 2bww h ARG 186 N 0.66 0.51 -0.92 0.20 9.65 -0.82 -2.43 114.38 121.22 2bww h ARG 186 Ca 0.33 -0.35 0.07 0.00 -1.10 0.00 0.00 59.98 58.94 2bww h ARG 186 Cb 0.28 0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 28.85 2bww h ARG 186 CO -0.22 0.96 0.60 0.00 2.80 0.00 0.00 179.97 184.10 2bww h ALA 187 N 0.96 1.52 -0.27 2.80 0.00 -0.54 -1.23 119.26 122.50 2bww h ALA 187 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2bww h ALA 187 Cb 1.16 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2bww h ALA 187 CO 0.11 0.32 0.09 0.78 0.00 0.00 0.00 179.25 180.55 2bww h GLY 188 N 1.02 0.46 0.99 0.00 0.00 -0.71 -1.00 103.07 103.82 2bww h GLY 188 Ca 0.41 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 2bww h GLY 188 CO -0.16 0.25 0.21 0.83 0.00 0.00 0.00 176.54 177.67 2bww h GLU 189 N 0.28 0.45 0.20 4.80 5.08 -1.18 -0.46 114.58 123.74 2bww h GLU 189 Ca 0.09 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2bww h GLU 189 Cb 0.24 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2bww h GLU 189 CO -0.00 0.33 -0.10 0.82 -1.00 0.00 0.00 179.01 179.06 2bww h ILE 190 N 0.44 0.85 -0.64 3.13 2.04 -1.16 -0.68 117.51 121.49 2bww h ILE 190 Ca 0.12 -0.27 0.08 0.00 1.00 0.00 0.00 64.86 65.79 2bww h ILE 190 Cb -0.01 1.02 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 2bww h ILE 190 CO -0.02 0.06 0.31 0.74 0.00 0.00 0.00 178.15 179.24 2bww h THR 191 N -0.40 0.88 -0.56 -0.27 2.02 -1.15 -1.96 112.91 111.47 2bww h THR 191 Ca -0.03 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 2bww h THR 191 Cb 0.31 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 2bww h THR 191 CO 0.05 0.10 0.27 0.00 0.37 0.00 0.00 175.52 176.31 2bww h ALA 192 N 1.38 0.72 -0.88 6.16 0.00 -0.88 -2.14 119.26 123.62 2bww h ALA 192 Ca 0.30 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.14 2bww h ALA 192 Cb 0.28 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2bww h ALA 192 CO -0.24 0.27 0.57 0.52 0.00 0.00 0.00 179.25 180.38 2bww h MET 193 N 0.75 1.00 -0.45 0.00 2.07 -0.65 -0.05 114.93 117.61 2bww h MET 193 Ca 0.19 -0.06 -0.01 0.00 -2.07 0.00 0.00 59.70 57.76 2bww h MET 193 Cb 0.11 -0.23 -0.02 0.00 -1.87 0.00 0.00 31.60 29.59 2bww h MET 193 CO -0.03 0.66 0.26 0.00 1.07 0.00 0.00 176.91 178.88 2bww h ALA 194 N 1.51 0.57 -0.47 6.32 0.00 -0.88 -1.56 119.26 124.76 2bww h ALA 194 Ca 0.37 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 2bww h ALA 194 Cb 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2bww h ALA 194 CO -0.13 0.08 -0.17 0.45 0.00 0.00 0.00 179.25 179.48 2bww h HIS 195 N 0.59 1.08 -1.01 0.00 3.86 -0.75 -0.82 115.15 118.11 2bww h HIS 195 Ca 0.16 -0.25 0.10 0.00 -1.16 0.00 0.00 60.37 59.22 2bww h HIS 195 Cb 0.02 -0.26 -0.08 0.00 1.06 0.00 0.00 27.41 28.16 2bww h HIS 195 CO -0.03 1.05 0.64 1.15 0.86 0.00 0.00 177.93 181.61 2bww h THR 196 N 0.79 0.99 -0.20 2.45 2.02 -0.94 -1.67 112.91 116.36 2bww h THR 196 Ca 0.11 -0.37 -0.10 0.00 0.77 0.00 0.00 66.41 66.83 2bww h THR 196 Cb 0.74 -0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 2bww h THR 196 CO 0.06 0.20 -0.26 -0.09 0.37 0.00 0.00 175.52 175.80 2bww h ARG 197 N 1.08 0.53 -0.41 6.66 2.43 -0.85 -1.76 114.38 122.05 2bww h ARG 197 Ca 0.47 -0.30 0.07 0.00 -0.81 0.00 0.00 59.98 59.41 2bww h ARG 197 Cb 0.36 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.87 2bww h ARG 197 CO -0.23 0.89 0.07 0.00 -1.51 0.00 0.00 179.97 179.20 2bww h ALA 198 N 0.63 0.44 -0.78 2.80 0.00 -0.80 -0.38 119.26 121.15 2bww h ALA 198 Ca 0.02 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.07 2bww h ALA 198 Cb 0.82 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 2bww h ALA 198 CO 0.06 -0.33 0.49 0.52 0.00 0.00 0.00 179.25 179.99 2bww h MET 199 N 0.20 0.89 0.00 0.00 2.86 -1.18 -1.52 114.93 116.17 2bww h MET 199 Ca 0.20 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.71 2bww h MET 199 Cb 0.25 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2bww h MET 199 CO -0.27 0.59 -0.37 0.93 1.06 0.00 0.00 176.91 178.85 2bww h GLU 200 N 0.92 0.00 0.00 1.72 5.08 -0.58 -3.22 114.58 118.49 2bww h GLU 200 Ca 0.33 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.56 2bww h GLU 200 Cb 0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2bww h GLU 200 CO -0.14 0.37 -1.35 1.63 -1.00 0.00 0.00 179.01 178.51 2bww n LYS 201 N -3.85 0.62 -1.82 2.33 4.76 -0.22 -4.78 118.16 115.20 2bww n LYS 201 Ca -0.01 0.19 -0.42 0.00 -2.87 0.00 0.00 58.31 55.19 2bww n LYS 201 Cb 0.44 -1.80 -0.03 0.00 -1.84 0.00 0.00 35.03 31.79 2bww n LYS 201 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2bww s ARG 203 N 2.81 0.63 0.33 0.00 1.81 -1.26 -4.93 118.95 118.34 2bww s ARG 203 Ca 0.78 -0.84 -0.28 0.00 -1.72 0.00 0.00 55.73 53.66 2bww s ARG 203 Cb -0.43 -0.47 -0.12 0.00 -0.45 0.00 0.00 34.95 33.48 2bww s ARG 203 CO 0.34 0.09 1.32 -2.30 -0.68 0.00 0.00 175.30 174.08 2bww n PRO 204 N 1.36 2.17 0.00 3.54 -0.02 -1.26 -2.45 135.00 138.34 2bww n PRO 204 Ca -0.22 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2bww n PRO 204 Cb 0.55 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 2bww n PRO 204 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bww n GLY 205 N 0.95 2.67 3.75 -1.23 0.00 0.02 -4.98 105.19 106.36 2bww n GLY 205 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 2bww n GLY 205 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bww s MET 206 N -0.06 2.91 0.33 1.61 -1.94 -1.03 -4.63 119.30 116.49 2bww s MET 206 Ca 0.00 1.77 -0.08 0.00 -1.71 0.00 0.00 55.69 55.66 2bww s MET 206 Cb 0.00 -1.93 -0.06 0.00 2.01 0.00 0.00 34.83 34.85 2bww s MET 206 CO 0.00 -1.24 0.65 -0.06 -0.01 0.00 0.00 175.02 174.36 2bww s PHE 207 N -1.70 3.46 0.27 -0.03 0.40 -1.26 -0.14 117.98 118.98 2bww s PHE 207 Ca 0.76 0.87 0.01 0.00 -0.60 0.00 0.00 56.93 57.96 2bww s PHE 207 Cb -0.29 -2.28 0.60 0.00 0.51 0.00 0.00 43.02 41.55 2bww s PHE 207 CO 0.34 0.07 1.74 0.93 0.70 0.00 0.00 175.22 179.01 2bww h GLU 208 N 1.68 0.55 0.00 0.44 5.08 -1.06 -0.70 114.58 120.57 2bww h GLU 208 Ca -0.47 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 2bww h GLU 208 Cb 1.18 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 2bww h GLU 208 CO 0.66 0.36 -0.09 0.10 -1.00 0.00 0.00 179.01 179.04 2bww h TYR 209 N 0.57 0.00 -0.71 4.33 -0.00 -1.49 -2.23 116.97 117.44 2bww h TYR 209 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.23 2bww h TYR 209 Cb 0.78 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.47 2bww h TYR 209 CO -0.10 0.09 0.45 0.45 -0.00 0.00 0.00 178.16 179.05 2bww h HIS 210 N 0.00 0.91 -0.06 0.10 3.86 -1.43 -1.03 115.15 117.50 2bww h HIS 210 Ca -0.00 0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 59.10 2bww h HIS 210 Cb 0.22 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 2bww h HIS 210 CO 0.00 0.59 -0.50 -0.07 0.86 0.00 0.00 177.93 178.82 2bww h LEU 211 N 0.97 0.17 -0.45 2.43 3.38 -1.48 -2.40 115.31 117.92 2bww h LEU 211 Ca 0.26 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.16 2bww h LEU 211 Cb -0.08 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2bww h LEU 211 CO -0.05 0.64 0.30 -0.08 0.09 0.00 0.00 178.44 179.33 2bww h GLU 212 N 0.12 0.59 -0.75 1.13 4.81 -1.25 -1.75 114.58 117.48 2bww h GLU 212 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2bww h GLU 212 Cb 0.92 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.13 2bww h GLU 212 CO 0.07 0.39 0.47 0.78 -0.73 0.00 0.00 179.01 179.99 2bww h GLY 213 N 0.61 1.07 1.21 1.92 0.00 -0.98 -1.08 103.07 105.83 2bww h GLY 213 Ca 0.17 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 2bww h GLY 213 CO -0.04 0.42 0.34 0.83 0.00 0.00 0.00 176.54 178.08 2bww h GLU 214 N 1.02 1.02 -0.05 4.80 4.39 -1.25 -1.69 114.58 122.83 2bww h GLU 214 Ca 0.27 -0.14 -0.04 0.00 0.34 0.00 0.00 59.36 59.79 2bww h GLU 214 Cb -0.07 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.39 2bww h GLU 214 CO -0.05 0.80 -0.12 0.82 -1.16 0.00 0.00 179.01 179.29 2bww h ILE 215 N 1.02 1.44 -0.44 3.13 2.04 -0.86 -2.55 117.51 121.29 2bww h ILE 215 Ca 0.25 -1.48 -0.02 0.00 1.00 0.00 0.00 64.86 64.61 2bww h ILE 215 Cb 0.11 2.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 2bww h ILE 215 CO -0.03 0.41 0.18 0.45 0.00 0.00 0.00 178.15 179.15 2bww h HIS 216 N -0.36 0.62 -0.38 1.37 3.86 -1.17 -0.80 115.15 118.29 2bww h HIS 216 Ca -0.00 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 2bww h HIS 216 Cb 0.72 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.98 2bww h HIS 216 CO 0.12 0.49 0.18 1.25 0.86 0.00 0.00 177.93 180.83 2bww h HIS 217 N 0.62 0.56 -0.56 2.45 -0.00 -1.29 -1.70 115.15 115.23 2bww h HIS 217 Ca 0.15 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.45 2bww h HIS 217 Cb 0.13 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.34 2bww h HIS 217 CO 0.01 0.48 0.20 1.49 -0.00 0.00 0.00 177.93 180.11 2bww h GLU 218 N 0.48 0.86 -0.16 5.26 4.57 -0.94 -0.18 114.58 124.46 2bww h GLU 218 Ca 0.13 -0.17 0.04 0.00 -1.18 0.00 0.00 59.36 58.19 2bww h GLU 218 Cb 0.13 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 28.55 2bww h GLU 218 CO -0.02 0.76 -0.12 0.74 -1.18 0.00 0.00 179.01 179.19 2bww h PHE 219 N 0.78 -0.30 -0.50 0.92 0.04 -1.04 -2.90 116.94 113.94 2bww h PHE 219 Ca 0.18 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.98 2bww h PHE 219 Cb 0.24 0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.52 2bww h PHE 219 CO 0.01 -0.18 0.32 -0.97 -0.60 0.00 0.00 178.31 176.89 2bww h ASN 220 N -0.13 0.59 0.58 2.17 -0.73 -0.95 -0.57 115.58 116.53 2bww h ASN 220 Ca 0.10 -0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.23 2bww h ASN 220 Cb 0.28 -0.15 -0.00 0.00 0.27 0.00 0.00 38.32 38.72 2bww h ASN 220 CO -0.24 0.45 -0.03 0.08 -0.37 0.00 0.00 177.43 177.32 2bww h ARG 221 N 0.67 0.00 -0.32 6.67 0.11 -0.83 0.25 114.38 120.92 2bww h ARG 221 Ca 0.18 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.26 2bww h ARG 221 Cb -0.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.04 2bww h ARG 221 CO -0.04 0.03 0.00 0.72 0.10 0.00 0.00 179.97 180.78 2bww n HIS 222 N -3.19 0.42 -0.31 4.08 8.25 -1.05 -4.93 115.22 118.49 2bww n HIS 222 Ca -0.01 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 2bww n HIS 222 Cb 0.22 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 2bww n HIS 222 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bww n GLY 223 N 1.33 0.83 3.16 -1.41 0.00 0.08 -5.02 105.19 104.15 2bww n GLY 223 Ca 0.18 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 2bww n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bww s ALA 224 N -2.00 3.95 0.28 4.61 0.00 -0.25 -4.84 121.76 123.51 2bww s ALA 224 Ca 0.00 -3.49 -0.04 0.00 0.00 0.00 0.00 51.96 48.44 2bww s ALA 224 Cb 0.00 -2.94 0.36 0.00 0.00 0.00 0.00 23.12 20.55 2bww s ALA 224 CO 0.00 -2.16 1.95 0.00 0.00 0.00 0.00 175.76 175.54 2bww h ARG 225 N 6.84 1.18 -6.69 0.00 3.08 -1.78 -2.95 114.38 114.06 2bww h ARG 225 Ca 0.07 -0.08 -0.68 0.00 0.07 0.00 0.00 59.98 59.36 2bww h ARG 225 Cb 0.92 -0.26 -0.22 0.00 0.08 0.00 0.00 29.97 30.50 2bww h ARG 225 CO 0.78 0.79 -0.82 0.71 -1.07 0.00 0.00 179.97 180.35 2bww s TYR 226 N -5.98 2.48 0.61 3.04 2.02 -1.26 -4.69 117.35 113.58 2bww s TYR 226 Ca -0.12 -0.30 -0.17 0.00 -0.37 0.00 0.00 57.07 56.11 2bww s TYR 226 Cb 0.18 -1.39 -0.02 0.00 -0.40 0.00 0.00 41.96 40.33 2bww s TYR 226 CO 0.80 0.29 1.13 -2.14 -1.57 0.00 0.00 175.55 174.06 2bww s PRO 227 N -1.72 2.99 0.50 -1.71 0.02 -1.26 -1.45 135.00 132.37 2bww s PRO 227 Ca 0.15 1.53 0.31 0.00 0.02 0.00 0.00 61.00 63.01 2bww s PRO 227 Cb -0.10 -1.96 1.13 0.00 0.02 0.00 0.00 34.50 33.58 2bww s PRO 227 CO 0.06 -1.12 1.89 0.66 -0.33 0.00 0.00 177.00 178.16 2bww h SER 228 N 0.52 0.00 -4.99 2.53 4.64 -1.39 -3.41 113.55 111.44 2bww h SER 228 Ca -0.48 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.86 2bww h SER 228 Cb 1.26 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.25 2bww h SER 228 CO 0.55 0.00 0.24 -0.72 -0.87 0.00 0.00 176.83 176.03 2bww s TYR 229 N -3.54 -0.39 -0.05 4.77 1.13 -1.26 -4.74 117.35 113.27 2bww s TYR 229 Ca 0.03 0.10 -0.30 0.00 -1.41 0.00 0.00 57.07 55.49 2bww s TYR 229 Cb 0.08 0.61 -0.05 0.00 -1.10 0.00 0.00 41.96 41.50 2bww s TYR 229 CO 0.56 -0.97 1.60 -0.80 -2.51 0.00 0.00 175.55 173.42 2bww s ASN 230 N -2.80 6.70 0.32 -0.18 0.01 -1.26 -4.73 114.94 113.00 2bww s ASN 230 Ca 0.05 2.20 -0.29 0.00 -0.71 0.00 0.00 52.86 54.11 2bww s ASN 230 Cb -0.03 -2.54 -0.11 0.00 0.41 0.00 0.00 41.25 38.99 2bww s ASN 230 CO -0.05 -0.89 1.46 -0.89 -1.51 0.00 0.00 177.10 175.22 2bww s THR 231 N 3.68 2.35 -0.20 1.60 2.01 -1.26 -4.97 115.64 118.85 2bww s THR 231 Ca 0.71 0.32 -0.05 0.00 0.31 0.00 0.00 61.69 62.98 2bww s THR 231 Cb -0.33 -3.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 2bww s THR 231 CO 0.28 0.06 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.64 2bww s ILE 232 N -0.60 3.89 -0.45 1.82 1.01 -0.43 -4.61 121.20 121.83 2bww s ILE 232 Ca 0.56 -0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.90 2bww s ILE 232 Cb -0.44 -2.75 0.15 0.00 0.01 0.00 0.00 42.46 39.42 2bww s ILE 232 CO 0.53 0.43 0.28 -0.69 0.00 0.00 0.00 174.94 175.49 2bww s VAL 233 N 0.97 1.23 -0.55 2.92 1.01 -1.26 -1.49 120.40 123.24 2bww s VAL 233 Ca 0.01 -2.65 -0.13 0.00 0.00 0.00 0.00 61.98 59.21 2bww s VAL 233 Cb -0.14 -1.85 0.14 0.00 0.00 0.00 0.00 36.38 34.52 2bww s VAL 233 CO 0.02 -0.98 0.47 -0.83 0.00 0.00 0.00 175.10 173.78 2bww s GLY 234 N 0.19 2.14 0.28 4.51 0.00 -0.25 -4.58 107.32 109.61 2bww s GLY 234 Ca 0.21 -2.64 -0.04 0.00 0.00 0.00 0.00 44.72 42.25 2bww s GLY 234 CO -0.05 1.17 0.53 -1.35 0.00 0.00 0.00 173.10 173.40 2bww s SER 235 N 3.06 6.43 0.88 1.64 1.04 -1.26 -1.13 113.70 124.35 2bww s SER 235 Ca 0.06 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.14 2bww s SER 235 Cb -0.26 -2.12 0.00 0.00 0.10 0.00 0.00 66.02 63.74 2bww s SER 235 CO 0.00 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.65 2bww n GLY 236 N -0.95 2.99 0.19 7.32 0.00 0.03 -1.23 105.19 113.55 2bww n GLY 236 Ca -0.02 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.09 2bww n GLY 236 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2bww h GLU 237 N 0.00 0.00 0.00 1.61 5.08 -1.91 -1.99 114.58 117.37 2bww h GLU 237 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2bww h GLU 237 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2bww h GLU 237 CO 0.00 0.00 -0.05 -0.91 -1.00 0.00 0.00 179.01 177.05 2bww h ASN 238 N 0.00 0.00 0.19 1.42 2.35 -1.46 -2.54 115.58 115.54 2bww h ASN 238 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2bww h ASN 238 Cb 0.30 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 2bww h ASN 238 CO 0.00 0.05 -0.03 1.23 -1.65 0.00 0.00 177.43 177.02 2bww h GLY 239 N 1.65 0.00 2.00 2.83 0.00 -1.38 -2.50 103.07 105.67 2bww h GLY 239 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2bww h GLY 239 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 2bww s ILE 241 N -3.17 5.27 0.09 0.00 1.01 -0.94 -4.97 121.20 118.49 2bww s ILE 241 Ca 0.08 0.29 -0.16 0.00 0.00 0.00 0.00 60.65 60.86 2bww s ILE 241 Cb 0.12 -3.58 -0.09 0.00 0.01 0.00 0.00 42.46 38.92 2bww s ILE 241 CO 0.48 0.23 1.41 -0.07 0.00 0.00 0.00 174.94 176.99 2bww h LEU 242 N 8.40 0.70 -6.12 2.97 3.38 -1.85 -3.22 115.31 119.57 2bww h LEU 242 Ca -0.34 -0.47 -0.80 0.00 0.09 0.00 0.00 57.88 56.36 2bww h LEU 242 Cb 1.18 -0.20 -0.26 0.00 0.09 0.00 0.00 40.66 41.47 2bww h LEU 242 CO 0.58 1.02 1.10 1.57 0.09 0.00 0.00 178.44 182.80 2bww n HIS 243 N -4.31 2.77 -3.11 1.13 -0.00 -1.26 -4.95 115.22 105.50 2bww n HIS 243 Ca -0.04 -2.55 -0.43 0.00 0.46 0.00 0.00 57.72 55.16 2bww n HIS 243 Cb 0.45 -1.23 -0.07 0.00 -0.12 0.00 0.00 29.99 29.03 2bww n HIS 243 CO 0.00 0.00 0.00 -0.47 0.46 0.00 0.00 176.34 176.33 2bww s TYR 244 N -4.18 3.08 0.00 1.57 5.04 -1.22 -4.84 117.35 116.81 2bww s TYR 244 Ca 0.41 0.03 0.00 0.00 -2.44 0.00 0.00 57.07 55.07 2bww s TYR 244 Cb 0.21 -3.32 0.00 0.00 0.35 0.00 0.00 41.96 39.20 2bww s TYR 244 CO -0.15 -0.82 0.28 0.25 -1.34 0.00 0.00 175.55 173.76 2bww n THR 245 N 5.81 0.04 -0.12 4.34 -2.24 -1.26 -4.13 114.28 116.72 2bww n THR 245 Ca -0.01 -0.26 -0.08 0.00 -2.27 0.00 0.00 64.05 61.43 2bww n THR 245 Cb 0.48 1.46 -0.00 0.00 -2.10 0.00 0.00 70.33 70.17 2bww n THR 245 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2bww h GLU 246 N 0.00 0.50 -6.52 -0.78 3.07 -1.89 -3.46 114.58 105.50 2bww h GLU 246 Ca 0.00 -0.04 -0.51 0.00 -0.50 0.00 0.00 59.36 58.31 2bww h GLU 246 Cb 0.30 -0.11 -0.11 0.00 -0.84 0.00 0.00 28.75 27.99 2bww h GLU 246 CO 0.00 0.35 -0.82 0.09 -1.40 0.00 0.00 179.01 177.23 2bww n ASN 247 N -4.81 -3.23 -0.74 1.42 3.02 -1.26 -4.88 115.26 104.77 2bww n ASN 247 Ca 0.00 -0.92 0.09 0.00 -0.03 0.00 0.00 54.58 53.72 2bww n ASN 247 Cb 0.03 -3.26 0.10 0.00 -0.61 0.00 0.00 39.78 36.04 2bww n ASN 247 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2bww n GLU 248 N -4.49 1.62 -3.95 3.52 0.28 -1.26 -1.35 120.64 115.01 2bww n GLU 248 Ca -0.02 -1.66 -0.29 0.00 -0.16 0.00 0.00 57.16 55.03 2bww n GLU 248 Cb 0.54 -1.35 -0.04 0.00 1.43 0.00 0.00 31.44 32.02 2bww n GLU 248 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2bww s GLU 250 N -2.71 4.28 -0.15 0.00 2.12 -1.26 -0.66 118.70 120.31 2bww s GLU 250 Ca 0.34 2.29 -0.21 0.00 0.36 0.00 0.00 54.97 57.75 2bww s GLU 250 Cb -0.12 -3.10 -0.03 0.00 0.26 0.00 0.00 34.13 31.14 2bww s GLU 250 CO 0.27 -0.39 0.65 -1.64 -0.54 0.00 0.00 175.26 173.61 2bww s MET 251 N -0.62 4.29 -0.11 4.30 -1.94 0.81 -4.85 119.30 121.17 2bww s MET 251 Ca 0.58 0.70 -0.03 0.00 -1.71 0.00 0.00 55.69 55.22 2bww s MET 251 Cb -0.42 -3.53 -0.03 0.00 2.01 0.00 0.00 34.83 32.86 2bww s MET 251 CO 0.45 -0.13 0.02 1.03 -0.01 0.00 0.00 175.02 176.38 2bww s ARG 252 N 1.51 3.21 0.18 2.03 1.81 -1.26 -0.80 118.95 125.63 2bww s ARG 252 Ca 0.31 -0.39 -0.33 0.00 -1.72 0.00 0.00 55.73 53.60 2bww s ARG 252 Cb -0.16 -2.89 -0.14 0.00 -0.45 0.00 0.00 34.95 31.31 2bww s ARG 252 CO 0.12 0.61 1.54 -3.47 -0.68 0.00 0.00 175.30 173.43 2bww n ASP 253 N 2.44 3.05 0.00 0.23 -0.08 -1.26 -1.88 116.55 119.05 2bww n ASP 253 Ca -0.18 1.10 0.00 0.00 -1.51 0.00 0.00 54.79 54.19 2bww n ASP 253 Cb 0.53 -1.43 0.00 0.00 2.34 0.00 0.00 41.12 42.56 2bww n ASP 253 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2bww n GLY 254 N 3.10 2.75 3.91 0.27 0.00 -1.26 -5.02 105.19 108.94 2bww n GLY 254 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 2bww n GLY 254 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bww s ASP 255 N -0.41 6.34 0.31 1.61 1.01 -0.79 -4.95 116.67 119.79 2bww s ASP 255 Ca 0.00 0.75 -0.07 0.00 0.71 0.00 0.00 52.55 53.94 2bww s ASP 255 Cb 0.00 -2.16 -0.06 0.00 1.01 0.00 0.00 42.92 41.71 2bww s ASP 255 CO 0.00 -0.39 0.61 -0.76 0.21 0.00 0.00 175.17 174.84 2bww s LEU 256 N -4.25 4.02 -0.06 1.23 1.43 -1.26 -1.37 118.68 118.41 2bww s LEU 256 Ca 0.45 0.86 0.04 0.00 -1.03 0.00 0.00 54.13 54.44 2bww s LEU 256 Cb -0.10 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.44 2bww s LEU 256 CO 0.37 -0.23 -0.18 0.54 0.23 0.00 0.00 176.35 177.08 2bww s VAL 257 N -2.11 1.56 -0.29 -1.59 0.11 -0.19 -0.79 120.40 117.10 2bww s VAL 257 Ca 0.46 -0.76 -0.09 0.00 -2.93 0.00 0.00 61.98 58.67 2bww s VAL 257 Cb -0.11 -1.36 -0.01 0.00 -1.53 0.00 0.00 36.38 33.37 2bww s VAL 257 CO 0.29 0.45 0.12 -0.22 -3.33 0.00 0.00 175.10 172.41 2bww s LEU 258 N 0.26 3.91 -0.25 2.54 0.20 -0.29 -1.54 118.68 123.52 2bww s LEU 258 Ca -0.10 -0.46 -0.02 0.00 0.69 0.00 0.00 54.13 54.23 2bww s LEU 258 Cb -0.14 -1.97 0.02 0.00 -0.43 0.00 0.00 46.19 43.67 2bww s LEU 258 CO 0.04 -0.15 -0.05 -0.63 -0.29 0.00 0.00 176.35 175.27 2bww s ILE 259 N 1.60 3.04 -0.30 6.68 1.01 0.09 -1.09 121.20 132.22 2bww s ILE 259 Ca 0.05 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.81 2bww s ILE 259 Cb -0.17 -2.51 0.07 0.00 0.01 0.00 0.00 42.46 39.86 2bww s ILE 259 CO 0.05 0.23 -0.01 -0.62 0.00 0.00 0.00 174.94 174.59 2bww s ASP 260 N 1.37 4.73 0.00 3.58 -1.08 -0.55 -1.13 116.67 123.59 2bww s ASP 260 Ca 0.01 -1.56 -0.04 0.00 -0.52 0.00 0.00 52.55 50.45 2bww s ASP 260 Cb -0.16 -1.64 -0.01 0.00 -1.46 0.00 0.00 42.92 39.65 2bww s ASP 260 CO -0.04 -0.28 0.06 0.00 0.52 0.00 0.00 175.17 175.43 2bww s ALA 261 N 1.12 -0.13 -0.07 3.66 0.00 -0.74 -1.31 121.76 124.28 2bww s ALA 261 Ca -0.02 -0.25 -0.08 0.00 0.00 0.00 0.00 51.96 51.60 2bww s ALA 261 Cb -0.20 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.02 2bww s ALA 261 CO -0.04 -0.16 0.22 0.20 0.00 0.00 0.00 175.76 175.98 2bww s GLY 262 N -1.18 -0.14 0.53 0.00 0.00 -1.26 -2.59 107.32 102.67 2bww s GLY 262 Ca -0.13 0.51 -0.03 0.00 0.00 0.00 0.00 44.72 45.07 2bww s GLY 262 CO 0.00 0.40 0.79 0.00 0.00 0.00 0.00 173.10 174.30 2bww s GLU 264 N -4.79 2.68 -0.14 0.00 2.12 -0.53 -1.10 118.70 116.95 2bww s GLU 264 Ca 0.52 -1.07 0.01 0.00 0.36 0.00 0.00 54.97 54.79 2bww s GLU 264 Cb -0.10 -2.89 0.02 0.00 0.26 0.00 0.00 34.13 31.41 2bww s GLU 264 CO 0.41 -0.42 -0.14 -0.47 -0.54 0.00 0.00 175.26 174.10 2bww s TYR 265 N 1.25 2.13 -1.52 5.30 5.04 -0.26 -4.37 117.35 124.93 2bww s TYR 265 Ca -0.02 -1.17 -0.17 0.00 -2.44 0.00 0.00 57.07 53.27 2bww s TYR 265 Cb -0.17 -1.57 0.16 0.00 0.35 0.00 0.00 41.96 40.73 2bww s TYR 265 CO -0.06 -0.64 0.58 1.63 -1.34 0.00 0.00 175.55 175.72 2bww n LYS 266 N 4.68 -2.21 0.00 4.97 4.76 -1.26 -1.05 118.16 128.05 2bww n LYS 266 Ca -0.17 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 2bww n LYS 266 Cb 0.50 -4.90 0.00 0.00 -1.84 0.00 0.00 35.03 28.79 2bww n LYS 266 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2bww n GLY 267 N -1.12 2.75 3.85 0.72 0.00 -1.26 -4.98 105.19 105.15 2bww n GLY 267 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 2bww n GLY 267 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bww s TYR 268 N -2.38 3.60 -0.08 1.61 1.51 -0.21 -4.45 117.35 116.94 2bww s TYR 268 Ca 0.00 0.59 -0.17 0.00 -1.01 0.00 0.00 57.07 56.47 2bww s TYR 268 Cb 0.00 -2.03 -0.05 0.00 -0.11 0.00 0.00 41.96 39.77 2bww s TYR 268 CO 0.00 0.66 0.46 0.00 -1.11 0.00 0.00 175.55 175.56 2bww s ALA 269 N -0.83 3.53 0.43 3.71 0.00 -0.21 -1.10 121.76 127.28 2bww s ALA 269 Ca 0.16 -0.19 -0.06 0.00 0.00 0.00 0.00 51.96 51.88 2bww s ALA 269 Cb -0.13 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 2bww s ALA 269 CO 0.05 0.13 0.73 0.20 0.00 0.00 0.00 175.76 176.86 2bww s GLY 270 N 0.16 1.62 -0.34 0.00 0.00 -0.26 -4.66 107.32 103.85 2bww s GLY 270 Ca 0.25 -0.49 0.06 0.00 0.00 0.00 0.00 44.72 44.54 2bww s GLY 270 CO 0.11 -0.34 0.58 -0.35 0.00 0.00 0.00 173.10 173.10 2bww s ASP 271 N -3.78 -1.34 0.03 1.64 2.15 -1.26 -3.99 116.67 110.11 2bww s ASP 271 Ca 0.47 -0.30 0.08 0.00 0.43 0.00 0.00 52.55 53.23 2bww s ASP 271 Cb -0.10 1.89 -0.02 0.00 -0.30 0.00 0.00 42.92 44.38 2bww s ASP 271 CO 0.39 -0.25 -0.24 -0.63 -0.17 0.00 0.00 175.17 174.27 2bww s ILE 272 N 2.37 1.93 -0.06 4.11 1.01 -1.07 -4.45 121.20 125.04 2bww s ILE 272 Ca 0.13 -1.23 0.03 0.00 0.00 0.00 0.00 60.65 59.57 2bww s ILE 272 Cb -0.08 -1.64 0.01 0.00 0.01 0.00 0.00 42.46 40.75 2bww s ILE 272 CO -0.18 0.36 -0.15 -0.89 0.00 0.00 0.00 174.94 174.08 2bww s THR 273 N -0.74 1.34 0.01 2.92 2.01 -1.09 -1.79 115.64 118.31 2bww s THR 273 Ca 0.10 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.52 2bww s THR 273 Cb -0.09 -1.19 -0.01 0.00 0.01 0.00 0.00 72.50 71.21 2bww s THR 273 CO 0.01 0.40 -0.11 -0.13 -0.69 0.00 0.00 174.62 174.10 2bww s ARG 274 N 0.45 0.84 -0.03 4.92 1.81 -0.28 -0.92 118.95 125.74 2bww s ARG 274 Ca -0.12 -0.50 0.07 0.00 -1.72 0.00 0.00 55.73 53.45 2bww s ARG 274 Cb -0.15 -0.81 -0.01 0.00 -0.45 0.00 0.00 34.95 33.52 2bww s ARG 274 CO 0.04 0.21 -0.22 0.99 -0.68 0.00 0.00 175.30 175.64 2bww s THR 275 N -0.49 1.78 0.13 0.02 2.01 -1.23 -0.73 115.64 117.13 2bww s THR 275 Ca 0.02 -0.95 -0.23 0.00 0.31 0.00 0.00 61.69 60.84 2bww s THR 275 Cb -0.05 -1.49 0.07 0.00 0.01 0.00 0.00 72.50 71.04 2bww s THR 275 CO 0.00 0.50 0.59 0.72 -0.69 0.00 0.00 174.62 175.75 2bww s PHE 276 N -0.41 -0.53 0.25 4.92 -0.71 -0.59 -4.98 117.98 115.93 2bww s PHE 276 Ca 0.05 0.39 -0.30 0.00 -1.04 0.00 0.00 56.93 56.04 2bww s PHE 276 Cb -0.10 0.52 -0.09 0.00 -1.21 0.00 0.00 43.02 42.13 2bww s PHE 276 CO 0.00 -0.81 1.32 -1.25 -1.34 0.00 0.00 175.22 173.14 2bww s PRO 277 N -3.44 4.37 0.39 1.99 0.04 -1.26 -1.02 135.00 136.07 2bww s PRO 277 Ca -0.00 2.13 0.06 0.00 0.04 0.00 0.00 61.00 63.23 2bww s PRO 277 Cb -0.01 -3.15 0.78 0.00 0.04 0.00 0.00 34.50 32.16 2bww s PRO 277 CO -0.10 -0.24 2.00 0.28 0.04 0.00 0.00 177.00 178.98 2bww h VAL 278 N 3.47 1.14 -0.41 -0.36 2.07 -1.52 -2.33 116.25 118.31 2bww h VAL 278 Ca -0.46 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 66.67 2bww h VAL 278 Cb 1.22 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2bww h VAL 278 CO 0.74 0.16 0.00 -0.46 0.02 0.00 0.00 177.57 178.02 2bww n ASN 279 N -4.41 2.68 0.00 0.57 0.23 -1.26 -4.21 115.26 108.87 2bww n ASN 279 Ca 0.03 -1.93 0.00 0.00 -0.53 0.00 0.00 54.58 52.15 2bww n ASN 279 Cb 0.12 -0.27 0.00 0.00 -2.08 0.00 0.00 39.78 37.55 2bww n ASN 279 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2bww n GLY 280 N 1.33 0.87 2.68 4.83 0.00 -0.88 -4.99 105.19 109.03 2bww n GLY 280 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 2bww n GLY 280 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bww s LYS 281 N -0.06 0.33 0.37 1.61 2.47 -1.26 -4.50 119.74 118.70 2bww s LYS 281 Ca 0.00 -0.15 -0.27 0.00 -1.56 0.00 0.00 55.97 53.98 2bww s LYS 281 Cb 0.00 -1.74 -0.10 0.00 -1.46 0.00 0.00 37.83 34.53 2bww s LYS 281 CO 0.00 -0.59 1.32 -0.06 0.16 0.00 0.00 175.35 176.17 2bww s PHE 282 N 2.02 2.91 0.73 4.03 0.08 -1.26 -4.86 117.98 121.63 2bww s PHE 282 Ca 0.01 1.40 -0.06 0.00 0.12 0.00 0.00 56.93 58.40 2bww s PHE 282 Cb -0.16 -3.70 0.09 0.00 -0.57 0.00 0.00 43.02 38.68 2bww s PHE 282 CO -0.08 -2.04 1.03 0.95 -0.10 0.00 0.00 175.22 174.98 2bww s THR 283 N -1.20 2.25 0.10 0.64 -4.23 -1.26 -4.87 115.64 107.07 2bww s THR 283 Ca 0.53 -0.34 -0.24 0.00 -1.18 0.00 0.00 61.69 60.45 2bww s THR 283 Cb -0.39 -2.91 -0.12 0.00 1.34 0.00 0.00 72.50 70.42 2bww s THR 283 CO 0.52 0.00 1.70 -0.61 -0.54 0.00 0.00 174.62 175.69 2bww h GLN 284 N -0.66 -0.21 -0.70 3.99 4.15 -1.98 0.18 115.11 119.87 2bww h GLN 284 Ca -0.42 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 58.96 2bww h GLN 284 Cb 1.29 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 29.00 2bww h GLN 284 CO 0.52 -0.14 0.24 0.00 -1.93 0.00 0.00 178.83 177.52 2bww h ALA 285 N 0.69 1.09 -0.21 3.38 0.00 -1.95 -0.06 119.26 122.20 2bww h ALA 285 Ca 0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2bww h ALA 285 Cb 0.22 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2bww h ALA 285 CO -0.05 0.63 0.02 1.96 0.00 0.00 0.00 179.25 181.80 2bww h GLN 286 N 1.03 0.37 -0.98 0.00 4.20 -1.85 -2.90 115.11 114.98 2bww h GLN 286 Ca 0.23 -0.11 0.10 0.00 0.06 0.00 0.00 58.65 58.93 2bww h GLN 286 Cb 0.26 -0.04 -0.08 0.00 0.30 0.00 0.00 27.48 27.93 2bww h GLN 286 CO -0.01 0.54 0.63 0.00 -0.67 0.00 0.00 178.83 179.32 2bww h ARG 287 N 0.15 1.00 -0.90 1.46 2.47 -0.64 0.12 114.38 118.03 2bww h ARG 287 Ca 0.06 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2bww h ARG 287 Cb 0.36 -0.22 -0.04 0.00 -1.65 0.00 0.00 29.97 28.42 2bww h ARG 287 CO 0.01 0.66 0.53 0.93 0.56 0.00 0.00 179.97 182.66 2bww h GLU 288 N 1.03 1.23 0.18 0.04 5.08 -0.82 0.09 114.58 121.41 2bww h GLU 288 Ca 0.46 -0.12 -0.27 0.00 -1.00 0.00 0.00 59.36 58.43 2bww h GLU 288 Cb 0.39 -0.25 0.02 0.00 0.50 0.00 0.00 28.75 29.40 2bww h GLU 288 CO -0.22 0.87 -1.28 0.82 -1.00 0.00 0.00 179.01 178.20 2bww h ILE 289 N 1.25 1.25 -0.35 3.13 1.08 -1.32 -3.32 117.51 119.23 2bww h ILE 289 Ca 0.32 -2.55 0.05 0.00 -0.39 0.00 0.00 64.86 62.29 2bww h ILE 289 Cb -0.03 2.98 -0.04 0.00 -3.07 0.00 0.00 36.82 36.66 2bww h ILE 289 CO -0.06 0.76 0.09 0.22 -0.69 0.00 0.00 178.15 178.48 2bww h TYR 290 N -0.14 0.16 -0.77 1.37 3.20 -0.84 -1.71 116.97 118.23 2bww h TYR 290 Ca -0.24 0.02 0.16 0.00 3.14 0.00 0.00 58.73 61.81 2bww h TYR 290 Cb 1.89 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 40.09 2bww h TYR 290 CO 0.15 0.05 0.51 -0.44 -1.64 0.00 0.00 178.16 176.79 2bww h ASP 291 N 0.22 0.37 -0.17 -2.11 3.32 -1.12 0.46 116.42 117.40 2bww h ASP 291 Ca 0.16 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.13 2bww h ASP 291 Cb 0.17 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2bww h ASP 291 CO -0.20 0.18 -0.32 0.40 -1.72 0.00 0.00 179.24 177.59 2bww h ILE 292 N 0.39 1.35 -0.75 0.35 2.04 -1.42 -1.65 117.51 117.82 2bww h ILE 292 Ca 0.38 -1.56 -0.06 0.00 1.00 0.00 0.00 64.86 64.62 2bww h ILE 292 Cb 0.92 1.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.90 2bww h ILE 292 CO -0.12 0.47 0.23 0.58 0.00 0.00 0.00 178.15 179.31 2bww h VAL 293 N 0.15 1.26 -0.29 1.67 2.07 -1.03 -2.12 116.25 117.97 2bww h VAL 293 Ca 0.01 -0.92 -0.13 0.00 0.82 0.00 0.00 66.70 66.47 2bww h VAL 293 Cb 0.91 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2bww h VAL 293 CO 0.07 0.36 -0.34 0.25 0.02 0.00 0.00 177.57 177.93 2bww h LEU 294 N 1.12 0.81 -1.41 2.57 5.85 -0.93 -1.60 115.31 121.71 2bww h LEU 294 Ca 0.24 -0.49 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 2bww h LEU 294 Cb 0.32 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2bww h LEU 294 CO -0.01 1.13 0.21 -0.08 -0.34 0.00 0.00 178.44 179.36 2bww h GLU 295 N 0.50 0.61 -0.36 1.25 4.81 -1.27 0.20 114.58 120.32 2bww h GLU 295 Ca 0.04 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2bww h GLU 295 Cb 0.93 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 2bww h GLU 295 CO 0.08 0.48 0.12 0.77 -0.73 0.00 0.00 179.01 179.73 2bww h SER 296 N 0.61 0.51 -0.17 1.04 0.02 -1.03 -1.05 113.55 113.48 2bww h SER 296 Ca 0.16 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2bww h SER 296 Cb 0.07 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 2bww h SER 296 CO -0.02 0.56 -0.03 0.25 -1.14 0.00 0.00 176.83 176.46 2bww h LEU 297 N 0.43 0.33 -0.96 5.07 5.85 -0.82 -1.76 115.31 123.43 2bww h LEU 297 Ca 0.12 -0.35 -0.06 0.00 0.84 0.00 0.00 57.88 58.43 2bww h LEU 297 Cb 0.23 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 2bww h LEU 297 CO -0.01 0.60 0.11 -0.33 -0.34 0.00 0.00 178.44 178.48 2bww h GLU 298 N 0.05 0.87 -0.42 1.25 5.08 -0.56 -0.67 114.58 120.17 2bww h GLU 298 Ca 0.05 -0.19 -0.13 0.00 -1.00 0.00 0.00 59.36 58.08 2bww h GLU 298 Cb 0.45 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2bww h GLU 298 CO 0.01 0.79 -0.25 1.15 -1.00 0.00 0.00 179.01 179.71 2bww h THR 299 N 0.83 1.27 -0.45 1.13 2.02 -1.21 -2.59 112.91 113.91 2bww h THR 299 Ca 0.18 -1.41 -0.05 0.00 0.77 0.00 0.00 66.41 65.90 2bww h THR 299 Cb 0.33 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 2bww h THR 299 CO 0.00 0.48 0.09 0.28 0.37 0.00 0.00 175.52 176.74 2bww h SER 300 N 0.75 0.64 0.49 4.18 0.02 -0.77 -0.41 113.55 118.44 2bww h SER 300 Ca 0.09 -0.11 -0.15 0.00 -0.84 0.00 0.00 61.79 60.78 2bww h SER 300 Cb 0.83 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 2bww h SER 300 CO 0.07 0.66 -0.66 -0.07 -1.14 0.00 0.00 176.83 175.69 2bww h LEU 301 N 0.67 0.18 -0.47 5.07 3.38 -1.07 -0.37 115.31 122.70 2bww h LEU 301 Ca 0.15 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 2bww h LEU 301 Cb 0.29 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2bww h LEU 301 CO 0.00 0.79 -0.11 0.03 0.09 0.00 0.00 178.44 179.24 2bww h ARG 302 N 0.11 0.91 0.11 1.13 3.08 -1.04 -3.36 114.38 115.32 2bww h ARG 302 Ca -0.01 -0.35 -0.24 0.00 0.07 0.00 0.00 59.98 59.46 2bww h ARG 302 Cb 1.18 -0.05 0.02 0.00 0.08 0.00 0.00 29.97 31.20 2bww h ARG 302 CO 0.10 1.00 -0.99 -0.07 -1.07 0.00 0.00 179.97 178.94 2bww h LEU 303 N 0.75 0.68 -9.36 3.04 3.38 -0.75 -3.46 115.31 109.61 2bww h LEU 303 Ca 0.12 -0.85 -0.55 0.00 0.09 0.00 0.00 57.88 56.69 2bww h LEU 303 Cb 0.66 -0.22 0.02 0.00 0.09 0.00 0.00 40.66 41.22 2bww h LEU 303 CO 0.05 1.47 1.19 -1.22 0.09 0.00 0.00 178.44 180.01 2bww n TYR 304 N -3.98 2.48 -3.71 1.13 4.01 -0.18 -4.91 117.16 112.00 2bww n TYR 304 Ca -0.13 -0.27 -0.04 0.00 -0.16 0.00 0.00 57.90 57.30 2bww n TYR 304 Cb 0.87 -2.77 -0.01 0.00 -0.31 0.00 0.00 39.34 37.13 2bww n TYR 304 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 2bww s ARG 305 N 4.18 1.08 0.33 -0.72 1.70 -1.26 -3.64 118.95 120.62 2bww s ARG 305 Ca 0.89 -0.58 -0.29 0.00 -0.47 0.00 0.00 55.73 55.28 2bww s ARG 305 Cb -0.50 0.38 -0.11 0.00 -0.57 0.00 0.00 34.95 34.15 2bww s ARG 305 CO 0.44 -0.49 1.55 -2.14 -1.08 0.00 0.00 175.30 173.58 2bww s PRO 306 N -3.19 4.11 0.00 3.89 0.02 -1.26 -2.98 135.00 135.59 2bww s PRO 306 Ca 0.12 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.72 2bww s PRO 306 Cb -0.01 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.52 2bww s PRO 306 CO 0.00 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 176.49 2bww n GLY 307 N 1.39 1.58 0.00 0.52 0.00 -0.85 -4.98 105.19 102.85 2bww n GLY 307 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2bww n GLY 307 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2bww n THR 308 N 0.00 0.00 -3.93 2.61 5.66 -1.16 -4.70 114.28 112.76 2bww n THR 308 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 2bww n THR 308 Cb 0.00 -1.22 -0.07 0.00 -1.55 0.00 0.00 70.33 67.49 2bww n THR 308 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2bww s SER 309 N -1.00 0.04 0.19 1.09 1.04 -1.26 -0.67 113.70 113.14 2bww s SER 309 Ca 0.00 -0.81 -0.12 0.00 0.48 0.00 0.00 55.95 55.50 2bww s SER 309 Cb 0.00 0.42 0.15 0.00 0.10 0.00 0.00 66.02 66.69 2bww s SER 309 CO 0.00 -0.87 1.83 0.40 0.98 0.00 0.00 173.24 175.59 2bww h ILE 310 N 2.57 1.08 -0.37 -1.02 2.04 -1.76 -2.37 117.51 117.67 2bww h ILE 310 Ca -0.32 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.34 2bww h ILE 310 Cb 1.22 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 2bww h ILE 310 CO 0.49 0.14 0.04 0.25 0.00 0.00 0.00 178.15 179.07 2bww h LEU 311 N 0.75 -0.07 -0.46 1.44 5.85 -1.59 0.74 115.31 121.98 2bww h LEU 311 Ca 0.25 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 59.01 2bww h LEU 311 Cb 0.01 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 2bww h LEU 311 CO -0.10 0.00 0.18 -0.08 -0.34 0.00 0.00 178.44 178.10 2bww h GLU 312 N 0.15 0.69 -0.19 1.25 4.81 -1.80 -1.49 114.58 117.99 2bww h GLU 312 Ca 0.18 -0.13 -0.15 0.00 -0.13 0.00 0.00 59.36 59.13 2bww h GLU 312 Cb 0.23 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2bww h GLU 312 CO -0.27 0.63 -0.50 0.28 -0.73 0.00 0.00 179.01 178.42 2bww h VAL 313 N 0.60 1.32 -0.43 0.32 2.07 -1.18 -2.01 116.25 116.94 2bww h VAL 313 Ca 0.15 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.95 2bww h VAL 313 Cb 0.20 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 2bww h VAL 313 CO -0.01 0.54 0.28 0.74 0.02 0.00 0.00 177.57 179.14 2bww h THR 314 N 0.42 1.11 -0.41 2.57 2.02 -0.58 -1.84 112.91 116.19 2bww h THR 314 Ca 0.02 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 67.03 2bww h THR 314 Cb 1.03 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 2bww h THR 314 CO 0.09 0.11 0.20 1.23 0.37 0.00 0.00 175.52 177.52 2bww h GLY 315 N 0.59 0.56 1.79 2.16 0.00 -0.51 -1.20 103.07 106.46 2bww h GLY 315 Ca 0.16 -0.14 -0.08 0.00 0.00 0.00 0.00 47.33 47.26 2bww h GLY 315 CO -0.03 0.10 -0.29 0.83 0.00 0.00 0.00 176.54 177.14 2bww h GLU 316 N 0.41 0.25 -0.23 4.80 4.39 -1.23 -2.46 114.58 120.50 2bww h GLU 316 Ca 0.18 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 59.71 2bww h GLU 316 Cb 0.09 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2bww h GLU 316 CO -0.13 0.53 -0.15 0.28 -1.16 0.00 0.00 179.01 178.38 2bww h VAL 317 N 0.22 1.31 -0.53 3.13 2.07 -0.94 -1.87 116.25 119.65 2bww h VAL 317 Ca 0.03 -1.26 0.09 0.00 0.82 0.00 0.00 66.70 66.38 2bww h VAL 317 Cb 0.64 1.64 -0.07 0.00 -1.52 0.00 0.00 31.29 31.97 2bww h VAL 317 CO 0.05 0.39 0.11 0.58 0.02 0.00 0.00 177.57 178.72 2bww h VAL 318 N 0.21 0.70 -0.00 2.57 2.07 -1.06 0.37 116.25 121.11 2bww h VAL 318 Ca 0.05 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.50 2bww h VAL 318 Cb 0.67 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2bww h VAL 318 CO 0.04 0.05 -0.11 -0.09 0.02 0.00 0.00 177.57 177.48 2bww h ARG 319 N 0.25 -0.18 -0.64 1.57 2.43 -1.30 0.05 114.38 116.56 2bww h ARG 319 Ca 0.27 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.52 2bww h ARG 319 Cb 0.37 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.90 2bww h ARG 319 CO -0.35 -0.12 0.33 0.82 -1.51 0.00 0.00 179.97 179.14 2bww h ILE 320 N -0.19 0.91 -0.14 1.20 2.04 -0.69 -2.02 117.51 118.62 2bww h ILE 320 Ca 0.04 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 2bww h ILE 320 Cb 0.24 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 2bww h ILE 320 CO -0.12 0.11 -0.07 0.24 0.00 0.00 0.00 178.15 178.31 2bww h MET 321 N 0.59 0.30 -0.63 2.37 2.86 -0.57 -1.62 114.93 118.22 2bww h MET 321 Ca 0.30 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 2bww h MET 321 Cb 0.24 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 2bww h MET 321 CO -0.21 0.63 0.36 0.28 1.06 0.00 0.00 176.91 179.03 2bww h VAL 322 N -0.05 1.19 -0.60 -2.22 2.07 -0.92 -0.13 116.25 115.59 2bww h VAL 322 Ca 0.03 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 2bww h VAL 322 Cb 0.55 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 2bww h VAL 322 CO 0.02 0.21 0.37 0.28 0.02 0.00 0.00 177.57 178.47 2bww h SER 323 N 0.86 0.72 -0.51 0.57 0.02 -1.37 -0.05 113.55 113.79 2bww h SER 323 Ca 0.22 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 2bww h SER 323 Cb 0.01 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 2bww h SER 323 CO -0.04 0.56 0.15 1.23 -1.14 0.00 0.00 176.83 177.59 2bww h GLY 324 N 0.82 0.85 2.00 -3.77 0.00 -0.96 -1.99 103.07 100.02 2bww h GLY 324 Ca 0.22 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.94 2bww h GLY 324 CO -0.04 0.48 -0.45 1.41 0.00 0.00 0.00 176.54 177.94 2bww h LEU 325 N 0.69 0.00 -0.24 3.11 3.38 -0.82 -2.65 115.31 118.78 2bww h LEU 325 Ca 0.16 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 2bww h LEU 325 Cb 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2bww h LEU 325 CO -0.00 0.45 -0.36 0.58 0.09 0.00 0.00 178.44 179.20 2bww h VAL 326 N 0.00 1.31 0.00 1.22 2.07 -0.74 -0.68 116.25 119.43 2bww h VAL 326 Ca -0.00 -1.56 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 2bww h VAL 326 Cb 0.83 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 32.32 2bww h VAL 326 CO 0.06 0.49 -0.06 0.11 0.02 0.00 0.00 177.57 178.19 2bww h LYS 327 N 0.39 0.00 -0.00 1.57 1.57 -1.23 -1.39 116.57 117.47 2bww h LYS 327 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2bww h LYS 327 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 2bww h LYS 327 CO 0.08 0.06 -0.31 1.28 -0.57 0.00 0.00 179.45 179.99 2bww n LEU 328 N -4.14 0.46 -0.05 2.94 4.77 -1.01 -4.94 117.00 115.03 2bww n LEU 328 Ca -0.03 0.07 -0.01 0.00 -0.03 0.00 0.00 56.01 56.01 2bww n LEU 328 Cb 0.14 -0.27 -0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2bww n LEU 328 CO 0.32 0.10 -0.01 0.61 -1.33 0.00 0.00 177.39 177.08 2bww n GLY 329 N 1.45 0.48 0.15 -0.72 0.00 -0.52 -4.91 105.19 101.11 2bww n GLY 329 Ca 0.08 -0.31 0.03 0.00 0.00 0.00 0.00 46.02 45.82 2bww n GLY 329 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2bww h ILE 330 N 0.00 0.96 -3.63 -0.61 2.04 -1.37 -3.44 117.51 111.46 2bww h ILE 330 Ca -0.01 -2.12 -0.52 0.00 1.00 0.00 0.00 64.86 63.21 2bww h ILE 330 Cb 0.11 2.31 -0.20 0.00 -0.74 0.00 0.00 36.82 38.30 2bww h ILE 330 CO 0.02 0.50 -0.80 -0.76 0.00 0.00 0.00 178.15 177.11 2bww s LEU 331 N -6.68 2.37 -0.03 1.44 1.43 -0.92 -4.95 118.68 111.33 2bww s LEU 331 Ca 0.02 -0.77 0.05 0.00 -1.03 0.00 0.00 54.13 52.40 2bww s LEU 331 Cb 0.09 -0.82 -0.01 0.00 0.03 0.00 0.00 46.19 45.48 2bww s LEU 331 CO 0.73 -0.00 -0.18 -0.54 0.23 0.00 0.00 176.35 176.59 2bww s LYS 332 N -2.35 1.65 0.00 1.70 1.02 -1.26 -4.28 119.74 116.21 2bww s LYS 332 Ca 0.10 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.46 2bww s LYS 332 Cb -0.08 -1.50 0.00 0.00 -0.52 0.00 0.00 37.83 35.73 2bww s LYS 332 CO 0.05 0.32 0.00 0.41 -0.92 0.00 0.00 175.35 175.21 2bww n GLY 333 N 2.89 0.42 3.73 -3.33 0.00 -1.26 -5.00 105.19 102.65 2bww n GLY 333 Ca -0.16 -2.23 -0.41 0.00 0.00 0.00 0.00 46.02 43.21 2bww n GLY 333 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bww s ASP 334 N -3.57 6.99 0.16 1.61 2.15 -1.26 -4.94 116.67 117.81 2bww s ASP 334 Ca 0.00 2.27 -0.15 0.00 0.43 0.00 0.00 52.55 55.10 2bww s ASP 334 Cb 0.00 -2.60 0.07 0.00 -0.30 0.00 0.00 42.92 40.09 2bww s ASP 334 CO 0.00 -0.47 1.79 0.58 -0.17 0.00 0.00 175.17 176.90 2bww h VAL 335 N 3.91 1.00 -0.34 1.11 2.07 -1.96 -0.24 116.25 121.80 2bww h VAL 335 Ca -0.44 -0.16 -0.15 0.00 0.82 0.00 0.00 66.70 66.78 2bww h VAL 335 Cb 1.21 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 2bww h VAL 335 CO 0.78 0.08 -0.35 0.44 0.02 0.00 0.00 177.57 178.54 2bww h ASP 336 N 0.46 0.91 -0.24 0.57 3.32 -1.99 -0.04 116.42 119.40 2bww h ASP 336 Ca 0.18 -0.47 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 2bww h ASP 336 Cb 0.06 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2bww h ASP 336 CO -0.11 1.19 0.12 -0.33 -1.72 0.00 0.00 179.24 178.39 2bww h GLU 337 N 0.63 0.35 -0.81 3.56 5.08 -1.95 -1.93 114.58 119.51 2bww h GLU 337 Ca 0.05 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2bww h GLU 337 Cb 0.94 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.07 2bww h GLU 337 CO 0.09 0.35 0.49 -0.07 -1.00 0.00 0.00 179.01 178.87 2bww h LEU 338 N 0.26 0.76 0.24 1.33 3.38 -0.77 0.31 115.31 120.82 2bww h LEU 338 Ca 0.08 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2bww h LEU 338 Cb 0.12 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2bww h LEU 338 CO -0.01 0.49 -0.24 0.40 0.09 0.00 0.00 178.44 179.16 2bww h ILE 339 N 0.90 0.48 -0.67 1.22 2.04 -0.89 -0.09 117.51 120.49 2bww h ILE 339 Ca 0.36 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.29 2bww h ILE 339 Cb 0.18 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 2bww h ILE 339 CO -0.18 0.00 0.44 0.00 0.00 0.00 0.00 178.15 178.41 2bww h ALA 340 N 0.15 1.82 0.00 1.87 0.00 -0.79 0.56 119.26 122.88 2bww h ALA 340 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2bww h ALA 340 Cb 0.48 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2bww h ALA 340 CO -0.06 0.05 0.00 1.04 0.00 0.00 0.00 179.25 180.28 2bww n GLN 341 N -4.48 0.57 -3.90 0.00 6.02 0.10 -4.90 117.38 110.80 2bww n GLN 341 Ca 0.10 0.03 -0.31 0.00 -0.01 0.00 0.00 57.00 56.81 2bww n GLN 341 Cb 0.28 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.05 2bww n GLN 341 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2bww n ASN 342 N -1.12 -4.43 0.11 1.08 3.02 0.20 -4.86 115.26 109.26 2bww n ASN 342 Ca 0.15 -0.77 0.11 0.00 -0.03 0.00 0.00 54.58 54.04 2bww n ASN 342 Cb 0.13 -3.56 0.46 0.00 -0.61 0.00 0.00 39.78 36.19 2bww n ASN 342 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bww n ALA 343 N -4.45 1.66 0.61 5.41 0.00 -0.15 -1.90 120.51 121.70 2bww n ALA 343 Ca 0.04 0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.65 2bww n ALA 343 Cb 0.52 -1.36 0.43 0.00 0.00 0.00 0.00 19.45 19.04 2bww n ALA 343 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2bww n HIS 344 N -2.11 0.28 0.08 0.00 1.44 -1.26 -4.34 115.22 109.31 2bww n HIS 344 Ca 0.02 0.10 -0.01 0.00 -2.01 0.00 0.00 57.72 55.83 2bww n HIS 344 Cb 0.22 -0.66 0.28 0.00 0.12 0.00 0.00 29.99 29.94 2bww n HIS 344 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2bww h ARG 345 N 0.00 0.31 0.00 -1.40 3.08 -1.57 -0.13 114.38 114.67 2bww h ARG 345 Ca 0.00 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.94 2bww h ARG 345 Cb 0.39 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2bww h ARG 345 CO 0.00 0.55 0.00 -1.35 -1.07 0.00 0.00 179.97 178.10 2bww h PRO 346 N 0.28 0.00 0.00 0.04 0.11 -1.84 -3.28 132.00 127.31 2bww h PRO 346 Ca 0.04 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.99 2bww h PRO 346 Cb 0.61 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.69 2bww h PRO 346 CO 0.04 0.00 -1.61 1.19 -0.21 0.00 0.00 178.00 177.41 2bww n PHE 347 N -2.97 0.00 -3.94 0.65 3.72 -0.82 -4.84 117.46 109.26 2bww n PHE 347 Ca -0.02 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.07 2bww n PHE 347 Cb 0.10 -0.43 -0.14 0.00 -0.94 0.00 0.00 39.48 38.07 2bww n PHE 347 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 2bww s PHE 348 N -2.22 3.17 -0.48 1.38 5.36 -0.12 -0.49 117.98 124.58 2bww s PHE 348 Ca -0.08 -2.91 0.04 0.00 -0.96 0.00 0.00 56.93 53.01 2bww s PHE 348 Cb 0.03 -2.68 0.03 0.00 -0.34 0.00 0.00 43.02 40.06 2bww s PHE 348 CO 0.32 -0.84 0.60 0.00 -1.46 0.00 0.00 175.22 173.84 2bww n MET 349 N 3.75 -0.16 -2.52 10.12 0.00 -1.25 -4.35 117.12 122.71 2bww n MET 349 Ca 0.04 -0.70 -0.22 0.00 0.00 0.00 0.00 57.70 56.82 2bww n MET 349 Cb 0.37 -1.06 0.05 0.00 0.00 0.00 0.00 33.22 32.58 2bww n MET 349 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2bww s ALA 350 N -0.37 3.70 0.78 3.17 0.00 -1.26 -5.11 121.76 122.66 2bww s ALA 350 Ca 0.04 -1.24 -0.10 0.00 0.00 0.00 0.00 51.96 50.67 2bww s ALA 350 Cb 0.03 -2.21 0.08 0.00 0.00 0.00 0.00 23.12 21.03 2bww s ALA 350 CO 0.05 -0.91 1.12 0.20 0.00 0.00 0.00 175.76 176.22 2bww s GLY 351 N -4.46 1.65 0.11 0.00 0.00 -1.26 -5.03 107.32 98.34 2bww s GLY 351 Ca 0.58 -0.85 0.13 0.00 0.00 0.00 0.00 44.72 44.58 2bww s GLY 351 CO 0.40 -0.37 1.06 -2.00 0.00 0.00 0.00 173.10 172.20 2bww h LEU 352 N -0.90 0.00 -7.23 0.66 5.85 -1.95 -3.45 115.31 108.29 2bww h LEU 352 Ca -0.45 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.18 2bww h LEU 352 Cb 1.31 0.00 -0.22 0.00 0.37 0.00 0.00 40.66 42.12 2bww h LEU 352 CO 0.60 0.75 -0.09 -0.44 -0.34 0.00 0.00 178.44 178.92 2bww s SER 353 N -6.24 -0.50 0.07 1.25 0.01 -1.26 -0.30 113.70 106.73 2bww s SER 353 Ca -0.01 0.84 0.02 0.00 1.31 0.00 0.00 55.95 58.11 2bww s SER 353 Cb 0.09 0.86 -0.03 0.00 0.21 0.00 0.00 66.02 67.14 2bww s SER 353 CO 0.80 -0.29 -0.07 -1.38 0.41 0.00 0.00 173.24 172.71 2bww s HIS 354 N -0.20 0.77 0.57 2.43 -3.43 -1.26 -4.93 115.29 109.25 2bww s HIS 354 Ca -0.04 -0.74 -0.20 0.00 -0.80 0.00 0.00 55.06 53.28 2bww s HIS 354 Cb -0.03 -0.46 -0.05 0.00 -1.43 0.00 0.00 32.58 30.61 2bww s HIS 354 CO 0.03 -0.13 1.12 0.91 -2.00 0.00 0.00 174.74 174.66 2bww n TRP 355 N 0.63 1.41 -4.51 0.38 5.03 -1.26 -1.57 117.44 117.55 2bww n TRP 355 Ca -0.17 0.44 -0.21 0.00 3.03 0.00 0.00 57.50 60.60 2bww n TRP 355 Cb 0.58 -2.23 -0.14 0.00 -1.03 0.00 0.00 31.31 28.49 2bww n TRP 355 CO 0.00 0.00 0.00 -1.17 -0.03 0.00 0.00 177.69 176.49 2bww s LEU 356 N -2.57 2.07 0.00 -0.99 2.96 -0.13 -0.97 118.68 119.05 2bww s LEU 356 Ca 0.74 -0.29 0.00 0.00 -0.22 0.00 0.00 54.13 54.36 2bww s LEU 356 Cb -0.43 -0.63 0.00 0.00 0.50 0.00 0.00 46.19 45.63 2bww s LEU 356 CO 0.48 0.12 0.00 0.61 -1.32 0.00 0.00 176.35 176.24 2bww n GLY 357 N 2.52 0.51 0.28 7.98 0.00 -1.26 -4.61 105.19 110.60 2bww n GLY 357 Ca -0.15 0.30 0.15 0.00 0.00 0.00 0.00 46.02 46.31 2bww n GLY 357 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2bww h LEU 358 N 0.00 0.00 -8.89 0.99 3.38 -1.94 -0.53 115.31 108.31 2bww h LEU 358 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 2bww h LEU 358 Cb 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 40.51 2bww h LEU 358 CO 0.00 0.09 -0.80 -1.81 0.09 0.00 0.00 178.44 176.00 2bww s ASP 359 N -5.95 3.80 0.16 -0.43 1.01 -1.26 -4.63 116.67 109.37 2bww s ASP 359 Ca -0.02 -0.33 -0.15 0.00 0.71 0.00 0.00 52.55 52.76 2bww s ASP 359 Cb 0.12 -0.68 0.08 0.00 1.01 0.00 0.00 42.92 43.45 2bww s ASP 359 CO 0.55 0.31 1.77 1.62 0.21 0.00 0.00 175.17 179.63 2bww h VAL 360 N 4.20 0.94 -2.91 -1.27 3.04 -1.85 -2.96 116.25 115.43 2bww h VAL 360 Ca -0.46 -0.13 -0.75 0.00 -1.01 0.00 0.00 66.70 64.35 2bww h VAL 360 Cb 1.15 0.54 -0.22 0.00 -2.01 0.00 0.00 31.29 30.75 2bww h VAL 360 CO 0.49 0.07 0.71 -1.00 -1.01 0.00 0.00 177.57 176.82 2bww s HIS 361 N -6.15 3.58 0.63 3.17 3.76 -1.26 -4.30 115.29 114.72 2bww s HIS 361 Ca -0.13 -1.95 -0.12 0.00 -0.15 0.00 0.00 55.06 52.71 2bww s HIS 361 Cb 0.12 -4.10 -0.03 0.00 1.11 0.00 0.00 32.58 29.69 2bww s HIS 361 CO 0.72 -1.25 1.04 0.34 -0.85 0.00 0.00 174.74 174.74 2bww s ASP 362 N 2.67 5.88 0.85 1.40 2.15 -0.14 -4.99 116.67 124.48 2bww s ASP 362 Ca 0.31 1.58 -0.11 0.00 0.43 0.00 0.00 52.55 54.76 2bww s ASP 362 Cb -0.07 -2.49 0.10 0.00 -0.30 0.00 0.00 42.92 40.16 2bww s ASP 362 CO -0.07 -1.11 1.09 0.68 -0.17 0.00 0.00 175.17 175.60 2bww s VAL 363 N -2.95 2.92 0.00 1.11 -7.23 -1.26 -4.59 120.40 108.39 2bww s VAL 363 Ca 0.58 0.30 0.00 0.00 -1.81 0.00 0.00 61.98 61.05 2bww s VAL 363 Cb -0.13 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 34.06 2bww s VAL 363 CO 0.49 -0.39 0.00 0.61 -0.31 0.00 0.00 175.10 175.50 2bww n GLY 364 N -1.05 3.88 3.71 2.32 0.00 -1.26 -4.51 105.19 108.29 2bww n GLY 364 Ca 0.08 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 2bww n GLY 364 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bww s VAL 365 N -1.74 4.90 -0.17 1.61 1.01 -1.26 -4.96 120.40 119.79 2bww s VAL 365 Ca 0.00 1.94 0.19 0.00 0.00 0.00 0.00 61.98 64.10 2bww s VAL 365 Cb 0.00 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.05 2bww s VAL 365 CO 0.00 0.17 0.96 1.88 0.00 0.00 0.00 175.10 178.11 2bww h TYR 366 N 6.80 0.00 0.00 5.22 0.05 -1.98 -3.48 116.97 123.59 2bww h TYR 366 Ca -0.41 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.37 2bww h TYR 366 Cb 1.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.95 2bww h TYR 366 CO 0.67 0.37 0.00 0.41 -1.05 0.00 0.00 178.16 178.56 2bww n GLY 367 N 1.30 -1.73 3.71 3.88 0.00 -1.26 -1.99 105.19 109.11 2bww n GLY 367 Ca -0.05 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 2bww n GLY 367 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2bww n GLN 368 N -1.53 2.80 -2.15 1.61 7.27 -1.26 -1.44 117.38 122.68 2bww n GLN 368 Ca 0.00 1.01 -0.12 0.00 0.07 0.00 0.00 57.00 57.96 2bww n GLN 368 Cb 0.00 -2.87 -0.02 0.00 2.41 0.00 0.00 30.24 29.76 2bww n GLN 368 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2bww n ASP 369 N 4.42 -3.64 -2.78 1.69 8.00 -1.26 -1.69 116.55 121.29 2bww n ASP 369 Ca 0.17 0.23 -0.19 0.00 0.71 0.00 0.00 54.79 55.71 2bww n ASP 369 Cb 0.36 -3.18 0.05 0.00 -0.02 0.00 0.00 41.12 38.33 2bww n ASP 369 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2bww n ARG 370 N -2.52 -5.47 0.00 -1.24 1.74 -0.52 -4.39 116.66 104.26 2bww n ARG 370 Ca -0.14 0.69 0.15 0.00 -0.77 0.00 0.00 57.85 57.78 2bww n ARG 370 Cb 0.55 -5.21 0.78 0.00 -1.02 0.00 0.00 32.46 27.56 2bww n ARG 370 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2bww n SER 371 N -1.94 0.50 -4.72 0.55 3.41 -0.68 -1.92 113.62 108.82 2bww n SER 371 Ca -0.03 -1.07 -0.42 0.00 -0.26 0.00 0.00 58.87 57.09 2bww n SER 371 Cb 0.57 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 2bww n SER 371 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2bww s ARG 372 N -2.07 4.16 0.19 4.33 3.52 -0.84 -4.82 118.95 123.41 2bww s ARG 372 Ca 0.42 2.52 -0.32 0.00 -0.13 0.00 0.00 55.73 58.22 2bww s ARG 372 Cb 0.21 -3.10 -0.11 0.00 -1.56 0.00 0.00 34.95 30.40 2bww s ARG 372 CO 0.37 -0.69 1.65 0.42 -0.81 0.00 0.00 175.30 176.25 2bww s ILE 373 N 1.04 2.28 0.33 4.11 -1.09 -1.26 -4.41 121.20 122.20 2bww s ILE 373 Ca 0.72 0.20 -0.26 0.00 -2.23 0.00 0.00 60.65 59.08 2bww s ILE 373 Cb -0.47 -3.13 -0.10 0.00 -1.58 0.00 0.00 42.46 37.18 2bww s ILE 373 CO 0.33 0.02 0.98 -0.76 -1.23 0.00 0.00 174.94 174.28 2bww s LEU 374 N 1.11 4.32 0.15 2.97 1.43 0.16 -4.90 118.68 123.92 2bww s LEU 374 Ca 0.72 1.91 0.04 0.00 -1.03 0.00 0.00 54.13 55.78 2bww s LEU 374 Cb -0.47 -4.01 -0.04 0.00 0.03 0.00 0.00 46.19 41.70 2bww s LEU 374 CO 0.32 -0.15 -0.10 -1.61 0.23 0.00 0.00 176.35 175.04 2bww s GLU 375 N -2.07 1.06 0.37 1.70 2.02 -1.26 -2.01 118.70 118.50 2bww s GLU 375 Ca 0.51 -1.45 -0.28 0.00 0.02 0.00 0.00 54.97 53.77 2bww s GLU 375 Cb -0.20 -0.62 -0.11 0.00 0.10 0.00 0.00 34.13 33.30 2bww s GLU 375 CO 0.26 0.07 1.46 -2.14 0.02 0.00 0.00 175.26 174.94 2bww s PRO 376 N -3.75 4.15 0.00 0.39 0.02 -1.26 -2.78 135.00 131.77 2bww s PRO 376 Ca 0.17 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.70 2bww s PRO 376 Cb 0.03 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.56 2bww s PRO 376 CO 0.00 -0.48 0.00 0.41 -0.33 0.00 0.00 177.00 176.60 2bww n GLY 377 N 0.58 2.47 3.75 0.52 0.00 -0.40 -4.91 105.19 107.20 2bww n GLY 377 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 2bww n GLY 377 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bww s MET 378 N -0.78 4.53 -0.08 1.61 -1.94 -1.12 -1.10 119.30 120.43 2bww s MET 378 Ca 0.00 1.90 0.05 0.00 -1.71 0.00 0.00 55.69 55.93 2bww s MET 378 Cb 0.00 -3.19 -0.01 0.00 2.01 0.00 0.00 34.83 33.64 2bww s MET 378 CO 0.00 0.02 -0.24 0.08 -0.01 0.00 0.00 175.02 174.87 2bww s VAL 379 N -0.67 2.04 0.15 -6.03 1.01 -1.26 -1.17 120.40 114.46 2bww s VAL 379 Ca 0.49 -1.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.28 2bww s VAL 379 Cb -0.33 -1.74 0.03 0.00 0.00 0.00 0.00 36.38 34.33 2bww s VAL 379 CO 0.41 0.56 0.42 -1.48 0.00 0.00 0.00 175.10 175.01 2bww s LEU 380 N 0.09 0.37 0.23 3.92 2.34 -0.28 -0.95 118.68 124.40 2bww s LEU 380 Ca -0.11 -0.42 -0.03 0.00 0.06 0.00 0.00 54.13 53.63 2bww s LEU 380 Cb -0.16 1.86 -0.05 0.00 -0.56 0.00 0.00 46.19 47.28 2bww s LEU 380 CO 0.06 -0.91 0.46 0.42 -1.06 0.00 0.00 176.35 175.32 2bww s THR 381 N -3.84 5.12 -0.21 5.48 -4.23 -0.61 -0.34 115.64 117.01 2bww s THR 381 Ca 0.06 -0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 2bww s THR 381 Cb 0.01 -3.72 0.05 0.00 1.34 0.00 0.00 72.50 70.19 2bww s THR 381 CO -0.08 -0.20 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.05 2bww s VAL 382 N -1.92 1.38 -0.40 2.29 1.01 0.27 -3.98 120.40 119.04 2bww s VAL 382 Ca 0.41 -0.99 0.09 0.00 0.00 0.00 0.00 61.98 61.49 2bww s VAL 382 Cb -0.11 -1.60 0.30 0.00 0.00 0.00 0.00 36.38 34.97 2bww s VAL 382 CO 0.29 -0.01 0.73 -1.84 0.00 0.00 0.00 175.10 174.27 2bww n GLU 383 N 4.75 0.87 -2.06 2.72 0.28 0.59 -1.44 120.64 126.35 2bww n GLU 383 Ca -0.12 -2.95 -0.35 0.00 -0.16 0.00 0.00 57.16 53.58 2bww n GLU 383 Cb 0.46 -1.42 0.02 0.00 1.43 0.00 0.00 31.44 31.92 2bww n GLU 383 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2bww s PRO 384 N -1.30 3.10 0.08 3.44 0.04 -1.24 -4.75 135.00 134.36 2bww s PRO 384 Ca 0.35 1.61 -0.20 0.00 0.04 0.00 0.00 61.00 62.79 2bww s PRO 384 Cb 0.27 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.89 2bww s PRO 384 CO -0.10 -1.05 0.49 0.20 0.04 0.00 0.00 177.00 176.57 2bww s GLY 385 N -1.94 -0.40 -0.04 0.56 0.00 -1.26 -2.64 107.32 101.60 2bww s GLY 385 Ca 0.72 0.40 0.04 0.00 0.00 0.00 0.00 44.72 45.89 2bww s GLY 385 CO 0.32 0.11 -0.17 1.08 0.00 0.00 0.00 173.10 174.44 2bww s LEU 386 N -2.27 1.92 -0.26 0.66 1.43 0.32 -4.54 118.68 115.94 2bww s LEU 386 Ca -0.03 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 52.70 2bww s LEU 386 Cb -0.00 -0.97 0.08 0.00 0.03 0.00 0.00 46.19 45.33 2bww s LEU 386 CO -0.06 0.15 0.06 -0.31 0.23 0.00 0.00 176.35 176.43 2bww s TYR 387 N 0.03 1.40 -0.37 0.29 1.51 0.35 -0.96 117.35 119.60 2bww s TYR 387 Ca -0.04 -1.34 -0.12 0.00 -1.01 0.00 0.00 57.07 54.57 2bww s TYR 387 Cb -0.11 -1.38 0.02 0.00 -0.11 0.00 0.00 41.96 40.37 2bww s TYR 387 CO 0.02 -0.76 0.22 0.42 -1.11 0.00 0.00 175.55 174.34 2bww s ILE 388 N 1.73 4.77 0.67 2.71 -1.09 0.13 -4.34 121.20 125.78 2bww s ILE 388 Ca 0.04 -0.70 -0.17 0.00 -2.23 0.00 0.00 60.65 57.59 2bww s ILE 388 Cb -0.17 -3.61 -0.01 0.00 -1.58 0.00 0.00 42.46 37.09 2bww s ILE 388 CO -0.18 -0.18 1.19 0.00 -1.23 0.00 0.00 174.94 174.54 2bww n ALA 389 N 5.04 0.73 -0.00 9.38 0.00 -1.26 -0.39 120.51 133.99 2bww n ALA 389 Ca -0.12 -0.05 0.22 0.00 0.00 0.00 0.00 53.44 53.48 2bww n ALA 389 Cb 0.47 -2.26 0.71 0.00 0.00 0.00 0.00 19.45 18.37 2bww n ALA 389 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2bww h PRO 390 N 0.29 0.00 -0.48 0.00 0.11 -1.90 -1.51 132.00 128.50 2bww h PRO 390 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2bww h PRO 390 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 2bww h PRO 390 CO 0.51 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.90 2bww n ASP 391 N -4.20 3.38 -4.67 -2.05 5.75 -1.26 -4.54 116.55 108.96 2bww n ASP 391 Ca 0.10 -2.05 -0.42 0.00 -0.01 0.00 0.00 54.79 52.41 2bww n ASP 391 Cb 0.66 -0.34 -0.00 0.00 -1.03 0.00 0.00 41.12 40.40 2bww n ASP 391 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bww n ALA 392 N 0.87 0.87 -2.74 2.12 0.00 -0.58 -4.87 120.51 116.19 2bww n ALA 392 Ca 0.17 0.33 -0.43 0.00 0.00 0.00 0.00 53.44 53.50 2bww n ALA 392 Cb 0.53 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.79 2bww n ALA 392 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2bww n GLU 393 N 0.44 3.30 -4.11 0.00 1.02 -1.26 -4.88 120.64 115.14 2bww n GLU 393 Ca 0.06 -3.58 -0.11 0.00 -0.02 0.00 0.00 57.16 53.52 2bww n GLU 393 Cb 0.36 -3.22 -0.08 0.00 -0.02 0.00 0.00 31.44 28.48 2bww n GLU 393 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2bww s VAL 394 N 2.56 0.02 0.23 2.62 -7.23 -1.26 -5.06 120.40 112.28 2bww s VAL 394 Ca 0.47 -1.76 -0.31 0.00 -1.81 0.00 0.00 61.98 58.57 2bww s VAL 394 Cb 0.01 -2.30 -0.14 0.00 0.56 0.00 0.00 36.38 34.51 2bww s VAL 394 CO 0.03 -0.09 1.21 -2.65 -0.31 0.00 0.00 175.10 173.29 2bww n PRO 395 N -0.27 1.51 -0.38 4.82 -0.02 -1.26 -4.80 135.00 134.60 2bww n PRO 395 Ca -0.01 0.54 0.30 0.00 -2.02 0.00 0.00 63.50 62.30 2bww n PRO 395 Cb 0.64 -2.06 0.57 0.00 -0.02 0.00 0.00 33.50 32.63 2bww n PRO 395 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2bww h GLU 396 N 3.27 0.21 0.00 -0.52 4.22 -1.99 -1.54 114.58 118.24 2bww h GLU 396 Ca -0.43 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.00 2bww h GLU 396 Cb 1.32 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2bww h GLU 396 CO 0.69 0.14 0.00 0.00 -2.18 0.00 0.00 179.01 177.66 2bww n GLN 397 N -4.80 0.10 0.00 1.92 0.00 -1.26 -2.18 117.38 111.16 2bww n GLN 397 Ca 0.33 0.35 0.09 0.00 0.00 0.00 0.00 57.00 57.77 2bww n GLN 397 Cb 1.17 -1.70 -0.09 0.00 0.00 0.00 0.00 30.24 29.62 2bww n GLN 397 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2bww n TYR 398 N -1.90 0.00 -2.13 2.61 4.01 -0.58 -4.84 117.16 114.33 2bww n TYR 398 Ca 0.03 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.36 2bww n TYR 398 Cb 0.20 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.20 2bww n TYR 398 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2bww s ARG 399 N -2.66 4.36 -0.38 -0.72 0.52 -0.93 -3.72 118.95 115.43 2bww s ARG 399 Ca 0.08 2.18 -0.00 0.00 -0.52 0.00 0.00 55.73 57.47 2bww s ARG 399 Cb 0.14 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.50 2bww s ARG 399 CO 0.72 -0.24 0.02 0.41 0.02 0.00 0.00 175.30 176.23 2bww n GLY 400 N 1.50 0.22 3.52 -3.53 0.00 0.47 -4.83 105.19 102.54 2bww n GLY 400 Ca 0.03 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 2bww n GLY 400 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bww s ILE 401 N -2.30 3.53 -0.08 -0.61 1.01 -0.92 -3.75 121.20 118.07 2bww s ILE 401 Ca 0.01 -0.53 -0.00 0.00 0.00 0.00 0.00 60.65 60.13 2bww s ILE 401 Cb -0.00 -2.46 0.02 0.00 0.01 0.00 0.00 42.46 40.03 2bww s ILE 401 CO 0.01 0.57 -0.04 -0.83 0.00 0.00 0.00 174.94 174.65 2bww s GLY 402 N -0.40 0.62 -0.06 6.18 0.00 -1.26 -0.69 107.32 111.70 2bww s GLY 402 Ca 0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 44.72 44.49 2bww s GLY 402 CO 0.02 0.81 -0.03 -0.42 0.00 0.00 0.00 173.10 173.48 2bww s ILE 403 N 1.57 0.49 0.01 0.90 1.01 -0.14 -4.69 121.20 120.35 2bww s ILE 403 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.64 2bww s ILE 403 Cb -0.13 -0.57 -0.01 0.00 0.01 0.00 0.00 42.46 41.76 2bww s ILE 403 CO -0.05 0.24 -0.05 -0.60 0.00 0.00 0.00 174.94 174.49 2bww s ARG 404 N 1.40 0.38 -0.15 2.79 3.52 -1.26 -0.52 118.95 125.11 2bww s ARG 404 Ca -0.04 -0.31 -0.00 0.00 -0.13 0.00 0.00 55.73 55.25 2bww s ARG 404 Cb -0.13 -0.30 0.03 0.00 -1.56 0.00 0.00 34.95 32.99 2bww s ARG 404 CO -0.03 0.08 -0.07 0.42 -0.81 0.00 0.00 175.30 174.89 2bww s ILE 405 N -0.44 1.12 -0.08 4.11 1.01 -1.08 -3.55 121.20 122.28 2bww s ILE 405 Ca -0.02 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.16 2bww s ILE 405 Cb -0.04 -1.22 0.01 0.00 0.01 0.00 0.00 42.46 41.22 2bww s ILE 405 CO -0.00 0.24 -0.18 -0.70 0.00 0.00 0.00 174.94 174.31 2bww s GLU 406 N 1.65 2.32 0.21 2.79 2.12 -0.10 -3.73 118.70 123.96 2bww s GLU 406 Ca 0.03 -0.63 0.09 0.00 0.36 0.00 0.00 54.97 54.82 2bww s GLU 406 Cb -0.14 -1.82 -0.05 0.00 0.26 0.00 0.00 34.13 32.38 2bww s GLU 406 CO -0.08 0.09 -0.17 -0.51 -0.54 0.00 0.00 175.26 174.05 2bww s ASP 407 N 0.53 2.87 -0.13 -1.70 1.01 -0.52 -2.66 116.67 116.07 2bww s ASP 407 Ca -0.16 -0.97 -0.01 0.00 0.71 0.00 0.00 52.55 52.12 2bww s ASP 407 Cb -0.17 -0.18 -0.02 0.00 1.01 0.00 0.00 42.92 43.56 2bww s ASP 407 CO 0.06 -0.07 -0.08 -1.81 0.21 0.00 0.00 175.17 173.48 2bww s ASP 408 N -3.13 4.43 0.14 0.27 1.01 -1.26 -0.57 116.67 117.56 2bww s ASP 408 Ca 0.22 -0.19 0.05 0.00 0.71 0.00 0.00 52.55 53.34 2bww s ASP 408 Cb -0.04 -1.58 -0.04 0.00 1.01 0.00 0.00 42.92 42.28 2bww s ASP 408 CO 0.09 0.21 -0.11 0.27 0.21 0.00 0.00 175.17 175.83 2bww s ILE 409 N 0.12 1.18 -0.07 0.77 -4.36 0.54 -0.59 121.20 118.79 2bww s ILE 409 Ca -0.04 -1.94 0.05 0.00 -0.26 0.00 0.00 60.65 58.46 2bww s ILE 409 Cb -0.14 -1.72 -0.01 0.00 1.25 0.00 0.00 42.46 41.84 2bww s ILE 409 CO 0.04 -0.66 -0.24 0.54 0.24 0.00 0.00 174.94 174.86 2bww s VAL 410 N -2.98 2.00 0.12 8.37 0.11 -0.43 -1.12 120.40 126.46 2bww s VAL 410 Ca 0.14 -1.02 -0.31 0.00 -2.93 0.00 0.00 61.98 57.86 2bww s VAL 410 Cb 0.00 -1.70 -0.07 0.00 -1.53 0.00 0.00 36.38 33.07 2bww s VAL 410 CO 0.01 0.55 1.32 -0.63 -3.33 0.00 0.00 175.10 173.02 2bww s ILE 411 N 0.03 3.50 0.50 7.04 -1.09 -0.32 -0.63 121.20 130.23 2bww s ILE 411 Ca -0.09 1.11 0.03 0.00 -2.23 0.00 0.00 60.65 59.47 2bww s ILE 411 Cb -0.15 -3.71 -0.01 0.00 -1.58 0.00 0.00 42.46 37.01 2bww s ILE 411 CO 0.05 0.10 0.10 0.42 -1.23 0.00 0.00 174.94 174.38 2bww s THR 412 N 0.87 1.44 0.29 2.92 -4.23 -0.55 -1.28 115.64 115.09 2bww s THR 412 Ca 0.61 -1.88 0.03 0.00 -1.18 0.00 0.00 61.69 59.27 2bww s THR 412 Cb -0.35 -2.31 0.28 0.00 1.34 0.00 0.00 72.50 71.46 2bww s THR 412 CO 0.32 0.00 1.79 -0.33 -0.54 0.00 0.00 174.62 175.85 2bww h GLU 413 N 1.28 0.77 -0.10 3.99 4.39 -1.96 -3.09 114.58 119.86 2bww h GLU 413 Ca -0.42 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.23 2bww h GLU 413 Cb 1.30 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 2bww h GLU 413 CO 0.71 0.51 0.00 0.25 -1.16 0.00 0.00 179.01 179.32 2bww n THR 414 N -4.76 0.66 0.00 1.13 -2.24 -1.26 -4.75 114.28 103.07 2bww n THR 414 Ca 0.20 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 2bww n THR 414 Cb 0.47 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 2bww n THR 414 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bww n GLY 415 N 0.04 -0.16 3.26 3.38 0.00 -1.17 -4.89 105.19 105.65 2bww n GLY 415 Ca 0.04 0.50 -0.09 0.00 0.00 0.00 0.00 46.02 46.47 2bww n GLY 415 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bww s ASN 416 N -4.00 -0.02 -0.14 1.61 2.20 -1.24 -1.49 114.94 111.87 2bww s ASN 416 Ca 0.00 -0.53 -0.01 0.00 -0.94 0.00 0.00 52.86 51.38 2bww s ASN 416 Cb 0.00 0.40 -0.02 0.00 -2.00 0.00 0.00 41.25 39.63 2bww s ASN 416 CO 0.00 -0.79 -0.11 -0.70 -2.94 0.00 0.00 177.10 172.57 2bww s GLU 417 N -3.84 3.46 -0.42 3.55 2.12 0.20 -4.87 118.70 118.90 2bww s GLU 417 Ca 0.05 -0.64 -0.22 0.00 0.36 0.00 0.00 54.97 54.51 2bww s GLU 417 Cb 0.04 -2.71 0.02 0.00 0.26 0.00 0.00 34.13 31.74 2bww s GLU 417 CO -0.11 0.22 0.74 1.21 -0.54 0.00 0.00 175.26 176.79 2bww s ASN 418 N 0.35 6.42 0.30 -1.70 3.84 -1.26 -1.32 114.94 121.56 2bww s ASN 418 Ca -0.09 -0.05 0.26 0.00 0.21 0.00 0.00 52.86 53.18 2bww s ASN 418 Cb -0.15 -2.37 0.85 0.00 -0.55 0.00 0.00 41.25 39.03 2bww s ASN 418 CO 0.05 -0.83 1.76 -0.07 -2.79 0.00 0.00 177.10 175.22 2bww h LEU 419 N 9.91 0.00 -2.94 3.21 3.38 -1.22 -3.34 115.31 124.31 2bww h LEU 419 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2bww h LEU 419 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2bww h LEU 419 CO 0.93 0.00 -0.02 0.35 0.09 0.00 0.00 178.44 179.78 2bww n THR 420 N -2.48 1.65 1.17 0.22 -2.24 -1.25 -3.96 114.28 107.38 2bww n THR 420 Ca 0.04 -1.94 0.13 0.00 -2.27 0.00 0.00 64.05 60.01 2bww n THR 420 Cb 0.37 -0.08 0.65 0.00 -2.10 0.00 0.00 70.33 69.18 2bww n THR 420 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bww n ALA 421 N -1.21 2.31 1.02 6.98 0.00 -1.26 -3.10 120.51 125.25 2bww n ALA 421 Ca 0.13 -0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.57 2bww n ALA 421 Cb 0.58 -1.44 0.58 0.00 0.00 0.00 0.00 19.45 19.17 2bww n ALA 421 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2bww n SER 422 N -1.35 0.00 -4.73 0.00 3.41 -1.26 -4.50 113.62 105.20 2bww n SER 422 Ca 0.11 0.20 -0.35 0.00 -0.26 0.00 0.00 58.87 58.57 2bww n SER 422 Cb 0.24 -0.39 -0.09 0.00 -0.26 0.00 0.00 64.21 63.72 2bww n SER 422 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2bww s VAL 423 N -2.78 4.79 0.63 -3.33 0.11 -1.18 -4.91 120.40 113.75 2bww s VAL 423 Ca 0.18 -0.05 -0.12 0.00 -2.93 0.00 0.00 61.98 59.05 2bww s VAL 423 Cb 0.16 -3.08 -0.02 0.00 -1.53 0.00 0.00 36.38 31.91 2bww s VAL 423 CO 0.41 0.57 1.04 0.68 -3.33 0.00 0.00 175.10 174.47 2bww s VAL 424 N -0.56 4.28 0.00 2.04 -7.23 -1.26 -5.00 120.40 112.67 2bww s VAL 424 Ca 0.11 0.83 0.00 0.00 -1.81 0.00 0.00 61.98 61.10 2bww s VAL 424 Cb -0.12 -3.59 0.00 0.00 0.56 0.00 0.00 36.38 33.23 2bww s VAL 424 CO 0.02 -0.88 0.00 2.29 -0.31 0.00 0.00 175.10 176.22 2bww n LYS 425 N -2.66 3.55 -1.79 4.82 2.85 -1.26 -4.91 118.16 118.75 2bww n LYS 425 Ca 0.07 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.92 2bww n LYS 425 Cb 0.54 -0.36 -0.02 0.00 -0.65 0.00 0.00 35.03 34.54 2bww n LYS 425 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2bww s LYS 426 N -0.17 4.13 0.30 -1.58 1.02 -1.26 -4.89 119.74 117.28 2bww s LYS 426 Ca 0.00 2.56 -0.01 0.00 0.02 0.00 0.00 55.97 58.54 2bww s LYS 426 Cb 0.00 -3.03 0.45 0.00 -0.52 0.00 0.00 37.83 34.72 2bww s LYS 426 CO 0.00 -0.63 1.92 -1.00 -0.92 0.00 0.00 175.35 174.72 2bww h PRO 427 N 5.05 0.98 -0.34 -1.68 0.13 -1.99 -1.74 132.00 132.40 2bww h PRO 427 Ca -0.47 -0.10 -0.05 0.00 -0.87 0.00 0.00 66.00 64.51 2bww h PRO 427 Cb 1.22 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 32.13 2bww h PRO 427 CO 0.81 0.71 0.00 1.05 -0.23 0.00 0.00 178.00 180.34 2bww h GLU 428 N 0.99 0.52 -0.00 0.86 9.09 -1.99 -1.19 114.58 122.84 2bww h GLU 428 Ca 0.25 -0.11 -0.17 0.00 0.05 0.00 0.00 59.36 59.38 2bww h GLU 428 Cb 0.02 -0.08 -0.02 0.00 -1.65 0.00 0.00 28.75 27.02 2bww h GLU 428 CO -0.04 0.55 -0.78 0.93 0.05 0.00 0.00 179.01 179.71 2bww h GLU 429 N 0.50 0.07 -0.05 1.06 5.08 -1.75 -1.04 114.58 118.45 2bww h GLU 429 Ca 0.11 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2bww h GLU 429 Cb 0.32 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2bww h GLU 429 CO 0.01 0.82 -0.02 0.82 -1.00 0.00 0.00 179.01 179.64 2bww h ILE 430 N 0.04 1.31 -0.70 3.13 2.04 -0.96 -2.18 117.51 120.20 2bww h ILE 430 Ca -0.02 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 64.83 2bww h ILE 430 Cb 1.37 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 39.28 2bww h ILE 430 CO 0.11 0.26 0.27 -0.33 0.00 0.00 0.00 178.15 178.47 2bww h GLU 431 N -0.26 1.03 -0.36 2.37 5.08 -1.15 -0.90 114.58 120.38 2bww h GLU 431 Ca 0.01 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 2bww h GLU 431 Cb 0.43 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2bww h GLU 431 CO 0.01 0.84 0.17 0.00 -1.00 0.00 0.00 179.01 179.03 2bww h ALA 432 N 1.29 0.47 -0.15 3.43 0.00 -1.24 -0.25 119.26 122.81 2bww h ALA 432 Ca 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2bww h ALA 432 Cb 0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2bww h ALA 432 CO -0.02 0.03 0.10 1.25 0.00 0.00 0.00 179.25 180.61 2bww h LEU 433 N 0.45 0.17 -0.37 0.00 5.85 -0.89 0.29 115.31 120.81 2bww h LEU 433 Ca 0.12 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 2bww h LEU 433 Cb 0.13 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2bww h LEU 433 CO -0.01 0.13 -0.09 0.24 -0.34 0.00 0.00 178.44 178.36 2bww h MET 434 N 0.20 0.71 0.05 1.25 2.86 -1.13 -1.96 114.93 116.90 2bww h MET 434 Ca 0.05 -0.27 0.02 0.00 -2.06 0.00 0.00 59.70 57.45 2bww h MET 434 Cb -0.02 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 2bww h MET 434 CO -0.01 0.86 -0.24 0.28 1.06 0.00 0.00 176.91 178.87 2bww h VAL 435 N 0.51 0.46 -0.89 -2.22 2.07 -0.90 -1.52 116.25 113.77 2bww h VAL 435 Ca 0.09 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.76 2bww h VAL 435 Cb 0.60 0.46 -0.09 0.00 -1.52 0.00 0.00 31.29 30.74 2bww h VAL 435 CO 0.04 0.00 0.49 0.00 0.02 0.00 0.00 177.57 178.11 2bww h ALA 436 N 0.42 1.36 -0.18 1.67 0.00 -0.82 -1.05 119.26 120.65 2bww h ALA 436 Ca 0.05 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2bww h ALA 436 Cb 0.45 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2bww h ALA 436 CO -0.18 -0.04 -0.37 0.00 0.00 0.00 0.00 179.25 178.67 2bww h ALA 437 N 1.56 1.03 0.00 0.00 0.00 -1.10 -3.17 119.26 117.58 2bww h ALA 437 Ca 0.48 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2bww h ALA 437 Cb 0.66 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2bww h ALA 437 CO -0.35 0.60 0.00 0.54 0.00 0.00 0.00 179.25 180.04 2bww n ARG 438 N -4.05 0.54 -2.08 0.00 1.74 -0.41 -2.26 116.66 110.15 2bww n ARG 438 Ca -0.01 0.03 -0.38 0.00 -0.77 0.00 0.00 57.85 56.72 2bww n ARG 438 Cb 0.47 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 2bww n ARG 438 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2bww n LYS 439 N -1.11 4.03 0.00 5.56 5.02 -1.18 -5.09 118.16 125.39 2bww n LYS 439 Ca 0.14 -3.62 0.00 0.00 -2.02 0.00 0.00 58.31 52.81 2bww n LYS 439 Cb 0.11 -2.41 0.00 0.00 -0.02 0.00 0.00 35.03 32.72 2bww n LYS 439 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88