#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1maa n GLU 4 N 0.00 0.01 -3.08 -0.14 4.07 -1.26 -4.96 120.64 115.28 1maa n GLU 4 Ca 0.00 0.03 -0.41 0.00 -0.06 0.00 0.00 57.16 56.72 1maa n GLU 4 Cb 0.00 -1.48 -0.06 0.00 -0.06 0.00 0.00 31.44 29.84 1maa n GLU 4 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1maa s ASP 5 N -1.42 6.56 0.61 4.31 -1.08 -1.26 -4.92 116.67 119.48 1maa s ASP 5 Ca 0.54 0.58 0.31 0.00 -0.52 0.00 0.00 52.55 53.46 1maa s ASP 5 Cb -0.28 -2.35 1.73 0.00 -1.46 0.00 0.00 42.92 40.56 1maa s ASP 5 CO 0.69 -0.47 2.08 1.55 0.52 0.00 0.00 175.17 179.54 1maa h PRO 6 N 8.06 0.00 0.00 4.34 0.13 -1.93 -1.07 132.00 141.53 1maa h PRO 6 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1maa h PRO 6 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1maa h PRO 6 CO 0.81 0.00 -0.22 1.96 -0.23 0.00 0.00 178.00 180.32 1maa h GLN 7 N 0.00 0.00 -0.07 0.86 1.08 -2.03 -3.29 115.11 111.66 1maa h GLN 7 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1maa h GLN 7 Cb 0.54 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 1maa h GLN 7 CO -0.00 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 179.16 1maa n LEU 8 N -2.35 2.15 -4.53 1.46 4.77 -0.42 -4.79 117.00 113.30 1maa n LEU 8 Ca 0.04 -1.14 -0.37 0.00 -0.03 0.00 0.00 56.01 54.52 1maa n LEU 8 Cb 0.45 -0.03 -0.12 0.00 -2.33 0.00 0.00 43.42 41.39 1maa n LEU 8 CO 0.33 0.43 -0.23 -0.22 -1.33 0.00 0.00 177.39 176.37 1maa s LEU 9 N -1.01 3.73 -0.03 2.23 1.98 -1.10 0.07 118.68 124.56 1maa s LEU 9 Ca 0.16 -0.09 0.03 0.00 -2.89 0.00 0.00 54.13 51.34 1maa s LEU 9 Cb 0.11 -2.01 -0.00 0.00 0.66 0.00 0.00 46.19 44.94 1maa s LEU 9 CO 0.16 -0.02 -0.12 -0.69 -1.89 0.00 0.00 176.35 173.79 1maa s VAL 10 N 1.53 0.97 -0.20 1.68 1.01 0.03 -4.95 120.40 120.47 1maa s VAL 10 Ca 0.06 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.48 1maa s VAL 10 Cb -0.15 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1maa s VAL 10 CO 0.06 0.29 0.10 -0.60 0.00 0.00 0.00 175.10 174.95 1maa s ARG 11 N 0.03 4.06 0.18 2.72 3.52 -1.26 -0.91 118.95 127.28 1maa s ARG 11 Ca -0.01 -0.29 0.08 0.00 -0.13 0.00 0.00 55.73 55.38 1maa s ARG 11 Cb -0.08 -3.33 -0.04 0.00 -1.56 0.00 0.00 34.95 29.93 1maa s ARG 11 CO 0.01 0.24 -0.17 0.54 -0.81 0.00 0.00 175.30 175.11 1maa s VAL 12 N 0.49 1.77 0.45 7.11 0.11 0.15 -4.89 120.40 125.58 1maa s VAL 12 Ca 0.05 -2.00 0.34 0.00 -2.93 0.00 0.00 61.98 57.45 1maa s VAL 12 Cb -0.12 -1.88 0.52 0.00 -1.53 0.00 0.00 36.38 33.36 1maa s VAL 12 CO -0.00 -0.41 1.56 0.54 -3.33 0.00 0.00 175.10 173.46 1maa n ARG 13 N 0.10 -0.03 0.14 1.54 1.74 -1.26 0.27 116.66 119.16 1maa n ARG 13 Ca -0.12 1.24 0.12 0.00 -0.77 0.00 0.00 57.85 58.32 1maa n ARG 13 Cb 0.58 -2.47 0.07 0.00 -1.02 0.00 0.00 32.46 29.62 1maa n ARG 13 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1maa h GLY 14 N 0.00 0.00 0.00 -0.13 0.00 -1.94 -3.48 103.07 97.52 1maa h GLY 14 Ca 0.88 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.21 1maa h GLY 14 CO -0.44 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.71 1maa n GLY 15 N 1.16 -0.57 3.97 4.60 0.00 0.14 -0.53 105.19 113.96 1maa n GLY 15 Ca 0.02 -1.17 -0.21 0.00 0.00 0.00 0.00 46.02 44.66 1maa n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1maa s GLN 16 N -2.00 3.39 -0.15 1.61 -0.21 -1.24 0.32 119.66 121.38 1maa s GLN 16 Ca 0.00 -0.80 -0.23 0.00 0.02 0.00 0.00 55.36 54.35 1maa s GLN 16 Cb 0.00 -2.88 0.06 0.00 1.00 0.00 0.00 33.01 31.19 1maa s GLN 16 CO 0.00 0.38 0.58 -0.48 -2.12 0.00 0.00 175.29 173.65 1maa s LEU 17 N -4.00 -0.24 -0.10 2.90 0.05 -0.09 -1.35 118.68 115.85 1maa s LEU 17 Ca 0.35 0.92 0.01 0.00 0.05 0.00 0.00 54.13 55.47 1maa s LEU 17 Cb -0.09 2.09 -0.02 0.00 -2.05 0.00 0.00 46.19 46.12 1maa s LEU 17 CO 0.29 -0.35 -0.12 0.00 -0.55 0.00 0.00 176.35 175.62 1maa s ARG 18 N -0.33 3.01 0.00 1.48 1.70 -0.11 -0.79 118.95 123.91 1maa s ARG 18 Ca -0.05 -0.66 0.00 0.00 -0.47 0.00 0.00 55.73 54.55 1maa s ARG 18 Cb -0.03 -2.55 0.00 0.00 -0.57 0.00 0.00 34.95 31.80 1maa s ARG 18 CO 0.04 0.42 0.00 0.41 -1.08 0.00 0.00 175.30 175.08 1maa n GLY 19 N 2.94 1.82 3.19 3.88 0.00 0.11 -0.27 105.19 116.86 1maa n GLY 19 Ca -0.18 -1.85 -0.13 0.00 0.00 0.00 0.00 46.02 43.86 1maa n GLY 19 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1maa s ILE 20 N 2.85 0.03 -0.21 -0.61 2.07 -0.29 -4.61 121.20 120.42 1maa s ILE 20 Ca 0.00 -0.21 -0.23 0.00 -1.41 0.00 0.00 60.65 58.79 1maa s ILE 20 Cb 0.00 -0.47 -0.01 0.00 0.13 0.00 0.00 42.46 42.10 1maa s ILE 20 CO 0.00 -0.12 0.75 -0.60 -1.91 0.00 0.00 174.94 173.06 1maa s ARG 21 N -0.45 4.21 0.22 3.50 3.52 -1.26 -1.06 118.95 127.63 1maa s ARG 21 Ca -0.06 0.82 0.09 0.00 -0.13 0.00 0.00 55.73 56.45 1maa s ARG 21 Cb -0.04 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.70 1maa s ARG 21 CO 0.02 -0.39 -0.01 -0.51 -0.81 0.00 0.00 175.30 173.60 1maa s LEU 22 N 2.39 3.23 -0.22 -0.88 1.02 0.17 -4.93 118.68 119.45 1maa s LEU 22 Ca 0.33 -0.53 -0.06 0.00 0.02 0.00 0.00 54.13 53.89 1maa s LEU 22 Cb -0.16 -1.82 -0.02 0.00 0.02 0.00 0.00 46.19 44.21 1maa s LEU 22 CO 0.09 0.04 0.01 -0.75 0.02 0.00 0.00 176.35 175.77 1maa s LYS 23 N -3.31 3.57 0.21 1.70 2.36 -1.26 0.11 119.74 123.12 1maa s LYS 23 Ca 0.29 -0.53 0.05 0.00 -2.55 0.00 0.00 55.97 53.23 1maa s LYS 23 Cb -0.08 -3.15 -0.04 0.00 -1.05 0.00 0.00 37.83 33.52 1maa s LYS 23 CO 0.19 -0.12 0.23 0.00 1.55 0.00 0.00 175.35 177.20 1maa s ALA 24 N 1.36 3.71 0.25 3.13 0.00 0.13 -4.97 121.76 125.37 1maa s ALA 24 Ca 0.05 -1.27 -0.10 0.00 0.00 0.00 0.00 51.96 50.64 1maa s ALA 24 Cb -0.15 -1.48 0.38 0.00 0.00 0.00 0.00 23.12 21.87 1maa s ALA 24 CO 0.01 0.36 1.48 -2.30 0.00 0.00 0.00 175.76 175.31 1maa n PRO 25 N -0.90 -0.12 -0.31 0.00 -0.02 -1.26 -1.41 135.00 130.98 1maa n PRO 25 Ca -0.08 1.48 0.10 0.00 -2.02 0.00 0.00 63.50 62.97 1maa n PRO 25 Cb 0.56 -2.20 0.27 0.00 -0.02 0.00 0.00 33.50 32.11 1maa n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1maa n GLY 26 N -1.56 1.83 0.00 -1.23 0.00 -1.26 -5.03 105.19 97.94 1maa n GLY 26 Ca 0.14 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1maa n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1maa n GLY 27 N 1.46 -2.19 3.90 -0.02 0.00 -0.50 -5.09 105.19 102.75 1maa n GLY 27 Ca 0.20 -1.32 -0.28 0.00 0.00 0.00 0.00 46.02 44.62 1maa n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1maa s PRO 28 N -1.97 3.00 -0.11 1.61 0.04 -1.26 0.20 135.00 136.51 1maa s PRO 28 Ca 0.00 0.23 -0.16 0.00 0.04 0.00 0.00 61.00 61.11 1maa s PRO 28 Cb 0.00 -2.18 0.04 0.00 0.04 0.00 0.00 34.50 32.40 1maa s PRO 28 CO 0.00 -0.77 0.41 0.08 0.04 0.00 0.00 177.00 176.76 1maa s VAL 29 N -3.11 0.01 0.04 -0.36 1.01 0.12 -3.53 120.40 114.57 1maa s VAL 29 Ca 0.55 -0.12 -0.14 0.00 0.00 0.00 0.00 61.98 62.26 1maa s VAL 29 Cb -0.11 -0.62 -0.06 0.00 0.00 0.00 0.00 36.38 35.60 1maa s VAL 29 CO 0.48 -0.07 0.44 -0.44 0.00 0.00 0.00 175.10 175.51 1maa s SER 30 N -0.27 6.82 -0.10 3.32 0.01 0.23 0.43 113.70 124.14 1maa s SER 30 Ca -0.04 0.98 -0.04 0.00 1.31 0.00 0.00 55.95 58.16 1maa s SER 30 Cb -0.03 -2.26 0.05 0.00 0.21 0.00 0.00 66.02 63.99 1maa s SER 30 CO 0.02 0.27 0.20 0.00 0.41 0.00 0.00 173.24 174.14 1maa s ALA 31 N -1.18 -0.32 -0.38 1.44 0.00 -0.22 -1.11 121.76 119.99 1maa s ALA 31 Ca 0.27 0.71 -0.03 0.00 0.00 0.00 0.00 51.96 52.92 1maa s ALA 31 Cb -0.16 -0.82 0.09 0.00 0.00 0.00 0.00 23.12 22.23 1maa s ALA 31 CO 0.15 -0.52 0.15 -0.06 0.00 0.00 0.00 175.76 175.49 1maa s PHE 32 N 2.13 3.52 -0.05 0.00 0.40 0.32 -1.13 117.98 123.17 1maa s PHE 32 Ca 0.00 -2.29 -0.00 0.00 -0.60 0.00 0.00 56.93 54.05 1maa s PHE 32 Cb -0.12 -2.95 -0.03 0.00 0.51 0.00 0.00 43.02 40.43 1maa s PHE 32 CO -0.07 -0.93 -0.02 -0.51 0.70 0.00 0.00 175.22 174.40 1maa s LEU 33 N 1.17 3.44 -0.44 -0.37 1.02 0.19 -0.08 118.68 123.61 1maa s LEU 33 Ca 0.05 0.05 -0.01 0.00 0.02 0.00 0.00 54.13 54.24 1maa s LEU 33 Cb -0.22 -1.84 0.00 0.00 0.02 0.00 0.00 46.19 44.15 1maa s LEU 33 CO -0.03 0.34 0.09 0.61 0.02 0.00 0.00 176.35 177.38 1maa n GLY 34 N 1.91 0.27 3.67 -3.19 0.00 -0.86 -3.65 105.19 103.35 1maa n GLY 34 Ca -0.17 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 1maa n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1maa s ILE 35 N -2.52 4.64 0.06 -0.61 1.01 -0.13 -4.77 121.20 118.88 1maa s ILE 35 Ca 0.05 1.94 -0.30 0.00 0.00 0.00 0.00 60.65 62.34 1maa s ILE 35 Cb -0.02 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 1maa s ILE 35 CO 0.06 -0.08 1.05 -2.16 0.00 0.00 0.00 174.94 173.81 1maa s PRO 36 N 2.61 4.55 0.00 2.79 0.04 -1.26 -0.51 135.00 143.22 1maa s PRO 36 Ca 0.48 1.56 0.08 0.00 0.04 0.00 0.00 61.00 63.16 1maa s PRO 36 Cb -0.18 -3.39 0.06 0.00 0.04 0.00 0.00 34.50 31.03 1maa s PRO 36 CO 0.14 -0.04 0.75 1.97 0.04 0.00 0.00 177.00 179.86 1maa n PHE 37 N 3.50 0.01 -3.62 0.56 -1.74 -1.18 -4.83 117.46 110.16 1maa n PHE 37 Ca 0.06 -0.01 -0.13 0.00 -0.56 0.00 0.00 57.45 56.81 1maa n PHE 37 Cb 0.49 -0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.43 1maa n PHE 37 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1maa s ALA 38 N -0.64 -1.11 0.08 1.98 0.00 -1.25 -2.80 121.76 118.01 1maa s ALA 38 Ca 0.09 0.33 -0.30 0.00 0.00 0.00 0.00 51.96 52.07 1maa s ALA 38 Cb 0.06 0.46 -0.05 0.00 0.00 0.00 0.00 23.12 23.59 1maa s ALA 38 CO 0.09 -0.53 1.10 -1.21 0.00 0.00 0.00 175.76 175.22 1maa s GLU 39 N -2.81 4.53 -0.45 0.00 0.41 -0.31 -4.52 118.70 115.54 1maa s GLU 39 Ca -0.03 1.64 -0.42 0.00 -0.41 0.00 0.00 54.97 55.75 1maa s GLU 39 Cb -0.00 -3.36 -0.17 0.00 -1.78 0.00 0.00 34.13 28.82 1maa s GLU 39 CO -0.05 -0.08 2.11 -0.35 -0.49 0.00 0.00 175.26 176.40 1maa n PRO 40 N 3.43 0.32 -0.64 0.39 -0.04 -1.26 -4.60 135.00 132.61 1maa n PRO 40 Ca 0.06 0.09 -0.15 0.00 -0.04 0.00 0.00 63.50 63.46 1maa n PRO 40 Cb 0.48 -1.77 -0.05 0.00 -0.04 0.00 0.00 33.50 32.12 1maa n PRO 40 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1maa n PRO 41 N 7.41 1.62 -4.02 0.54 -0.04 -1.26 -4.88 135.00 134.36 1maa n PRO 41 Ca 0.49 -1.05 -0.23 0.00 -0.04 0.00 0.00 63.50 62.67 1maa n PRO 41 Cb 0.03 -2.16 -0.06 0.00 -0.04 0.00 0.00 33.50 31.28 1maa n PRO 41 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1maa s VAL 42 N 2.83 2.64 0.00 0.52 -7.23 -1.26 -3.86 120.40 114.05 1maa s VAL 42 Ca 0.37 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.90 1maa s VAL 42 Cb 0.13 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 34.08 1maa s VAL 42 CO -0.02 -0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.31 1maa n GLY 43 N -1.25 2.70 0.00 2.32 0.00 -1.26 -0.40 105.19 107.30 1maa n GLY 43 Ca -0.01 0.32 0.14 0.00 0.00 0.00 0.00 46.02 46.47 1maa n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1maa n SER 44 N 9.01 0.00 -0.40 1.61 3.41 -1.26 -2.44 113.62 123.56 1maa n SER 44 Ca 0.00 0.02 0.14 0.00 -0.26 0.00 0.00 58.87 58.77 1maa n SER 44 Cb 0.00 -0.33 0.56 0.00 -0.26 0.00 0.00 64.21 64.18 1maa n SER 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1maa n ARG 45 N -1.33 1.49 -2.07 4.33 5.12 0.47 -4.84 116.66 119.83 1maa n ARG 45 Ca 0.12 -0.80 -0.41 0.00 -1.93 0.00 0.00 57.85 54.83 1maa n ARG 45 Cb 0.25 -1.48 -0.03 0.00 -1.16 0.00 0.00 32.46 30.04 1maa n ARG 45 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1maa s ARG 46 N -2.05 4.30 0.00 5.56 3.52 -1.02 -2.41 118.95 126.84 1maa s ARG 46 Ca 0.38 2.23 0.00 0.00 -0.13 0.00 0.00 55.73 58.20 1maa s ARG 46 Cb 0.21 -3.15 0.00 0.00 -1.56 0.00 0.00 34.95 30.45 1maa s ARG 46 CO 0.36 -0.39 0.00 1.19 -0.81 0.00 0.00 175.30 175.64 1maa n PHE 47 N 2.67 0.00 -2.06 5.12 3.72 -1.26 -4.90 117.46 120.75 1maa n PHE 47 Ca 0.08 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.16 1maa n PHE 47 Cb 0.41 -0.08 -0.00 0.00 -0.94 0.00 0.00 39.48 38.86 1maa n PHE 47 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 1maa s MET 48 N 0.00 3.66 0.84 -1.08 -1.94 -1.01 -4.37 119.30 115.39 1maa s MET 48 Ca 0.00 0.88 -0.11 0.00 -1.71 0.00 0.00 55.69 54.75 1maa s MET 48 Cb 0.00 -2.09 0.10 0.00 2.01 0.00 0.00 34.83 34.85 1maa s MET 48 CO 0.00 -0.52 1.11 -2.14 -0.01 0.00 0.00 175.02 173.46 1maa s PRO 49 N -4.66 1.65 0.18 2.03 0.02 -1.26 -4.94 135.00 128.02 1maa s PRO 49 Ca 0.57 1.23 -0.30 0.00 0.02 0.00 0.00 61.00 62.53 1maa s PRO 49 Cb -0.11 -1.82 -0.08 0.00 0.02 0.00 0.00 34.50 32.51 1maa s PRO 49 CO 0.44 -2.09 1.04 -1.25 -0.33 0.00 0.00 177.00 174.81 1maa s PRO 50 N -4.82 4.67 -0.12 5.54 0.04 -1.26 -5.04 135.00 134.02 1maa s PRO 50 Ca 0.63 1.62 -0.04 0.00 0.04 0.00 0.00 61.00 63.25 1maa s PRO 50 Cb -0.19 -3.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.02 1maa s PRO 50 CO 0.57 0.20 0.03 -1.83 0.04 0.00 0.00 177.00 176.01 1maa s GLU 51 N -0.50 3.32 0.47 4.56 -1.05 -1.26 -5.02 118.70 119.21 1maa s GLU 51 Ca 0.47 -0.35 -0.21 0.00 -0.15 0.00 0.00 54.97 54.72 1maa s GLU 51 Cb -0.27 -2.96 -0.11 0.00 -0.44 0.00 0.00 34.13 30.35 1maa s GLU 51 CO 0.34 0.60 0.65 -2.30 0.95 0.00 0.00 175.26 175.49 1maa n PRO 52 N 2.50 0.72 -1.88 -4.83 -0.02 -1.26 -1.17 135.00 129.06 1maa n PRO 52 Ca -0.18 0.27 -0.42 0.00 -2.02 0.00 0.00 63.50 61.14 1maa n PRO 52 Cb 0.53 -1.70 -0.03 0.00 -0.02 0.00 0.00 33.50 32.29 1maa n PRO 52 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1maa s LYS 53 N -1.86 4.17 0.27 -0.52 2.47 -1.12 -3.96 119.74 119.19 1maa s LYS 53 Ca 0.65 2.35 -0.29 0.00 -1.56 0.00 0.00 55.97 57.12 1maa s LYS 53 Cb -0.54 -4.00 -0.10 0.00 -1.46 0.00 0.00 37.83 31.73 1maa s LYS 53 CO 0.56 -0.87 1.29 1.03 0.16 0.00 0.00 175.35 177.52 1maa s ARG 54 N 4.02 4.39 0.54 4.03 0.52 -1.26 -4.90 118.95 126.29 1maa s ARG 54 Ca 0.79 2.12 -0.20 0.00 -0.52 0.00 0.00 55.73 57.91 1maa s ARG 54 Cb -0.37 -3.13 -0.08 0.00 0.52 0.00 0.00 34.95 31.89 1maa s ARG 54 CO 0.34 -0.18 0.87 -2.30 0.02 0.00 0.00 175.30 174.04 1maa n PRO 55 N 1.61 0.93 -4.42 3.54 -0.02 -1.26 -5.02 135.00 130.36 1maa n PRO 55 Ca 0.03 0.35 -0.21 0.00 -2.02 0.00 0.00 63.50 61.64 1maa n PRO 55 Cb 0.42 -2.01 -0.10 0.00 -0.02 0.00 0.00 33.50 31.79 1maa n PRO 55 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1maa s TRP 56 N -1.49 1.98 0.21 6.00 -2.14 0.31 -5.03 118.94 118.78 1maa s TRP 56 Ca 0.70 -0.57 0.07 0.00 2.66 0.00 0.00 56.10 58.97 1maa s TRP 56 Cb -0.47 -1.01 -0.04 0.00 -3.10 0.00 0.00 33.47 28.85 1maa s TRP 56 CO 0.52 0.42 0.08 -1.54 -2.66 0.00 0.00 176.95 173.77 1maa s SER 57 N -3.43 5.09 0.00 -2.66 1.04 -1.26 -4.37 113.70 108.11 1maa s SER 57 Ca 0.28 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1maa s SER 57 Cb 0.00 -1.18 0.00 0.00 0.10 0.00 0.00 66.02 64.95 1maa s SER 57 CO 0.11 0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.97 1maa n GLY 58 N -0.63 -2.21 3.45 7.32 0.00 -1.26 -4.78 105.19 107.07 1maa n GLY 58 Ca -0.08 -1.53 -0.37 0.00 0.00 0.00 0.00 46.02 44.04 1maa n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1maa s VAL 59 N -0.37 4.48 0.25 1.61 1.01 -1.26 -3.70 120.40 122.42 1maa s VAL 59 Ca 0.00 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 1maa s VAL 59 Cb 0.00 -3.19 -0.09 0.00 0.00 0.00 0.00 36.38 33.10 1maa s VAL 59 CO 0.00 0.21 1.14 -0.22 0.00 0.00 0.00 175.10 176.22 1maa s LEU 60 N 1.62 4.51 -0.71 3.92 1.98 -0.46 -4.84 118.68 124.70 1maa s LEU 60 Ca 0.05 2.27 -0.24 0.00 -2.89 0.00 0.00 54.13 53.33 1maa s LEU 60 Cb -0.16 -3.62 0.06 0.00 0.66 0.00 0.00 46.19 43.13 1maa s LEU 60 CO 0.05 -0.23 1.10 -0.62 -1.89 0.00 0.00 176.35 174.76 1maa s ASP 61 N -0.54 6.20 -0.68 3.68 2.15 -1.26 -0.93 116.67 125.29 1maa s ASP 61 Ca 0.47 -0.87 -0.01 0.00 0.43 0.00 0.00 52.55 52.58 1maa s ASP 61 Cb -0.32 -2.47 0.41 0.00 -0.30 0.00 0.00 42.92 40.24 1maa s ASP 61 CO 0.40 -1.57 1.87 0.00 -0.17 0.00 0.00 175.17 175.71 1maa n ALA 62 N 8.28 6.18 -0.01 3.66 0.00 0.63 -4.47 120.51 134.77 1maa n ALA 62 Ca 0.01 -3.82 0.08 0.00 0.00 0.00 0.00 53.44 49.71 1maa n ALA 62 Cb 0.47 -1.61 -0.14 0.00 0.00 0.00 0.00 19.45 18.17 1maa n ALA 62 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1maa n THR 63 N -0.72 0.10 -4.46 0.00 -2.24 -1.24 0.55 114.28 106.26 1maa n THR 63 Ca 0.56 -0.44 -0.25 0.00 -2.27 0.00 0.00 64.05 61.64 1maa n THR 63 Cb 0.53 0.03 -0.13 0.00 -2.10 0.00 0.00 70.33 68.66 1maa n THR 63 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1maa s THR 64 N -3.20 1.79 0.56 4.28 -1.32 -1.26 -4.76 115.64 111.73 1maa s THR 64 Ca -0.07 -1.44 -0.21 0.00 -1.21 0.00 0.00 61.69 58.77 1maa s THR 64 Cb 0.11 -1.59 -0.04 0.00 -1.51 0.00 0.00 72.50 69.47 1maa s THR 64 CO 0.76 0.08 1.31 -0.36 -2.21 0.00 0.00 174.62 174.19 1maa s PHE 65 N -1.00 2.32 0.61 9.09 0.08 -1.26 -3.63 117.98 124.18 1maa s PHE 65 Ca 0.08 1.43 0.10 0.00 0.12 0.00 0.00 56.93 58.66 1maa s PHE 65 Cb -0.10 -3.69 0.10 0.00 -0.57 0.00 0.00 43.02 38.76 1maa s PHE 65 CO 0.03 -2.67 0.84 -0.65 -0.10 0.00 0.00 175.22 172.67 1maa s GLN 66 N -3.03 2.19 0.62 0.44 -1.52 -1.26 -4.90 119.66 112.20 1maa s GLN 66 Ca 0.74 -1.69 -0.17 0.00 -1.95 0.00 0.00 55.36 52.28 1maa s GLN 66 Cb -0.37 -2.62 -0.08 0.00 -0.22 0.00 0.00 33.01 29.72 1maa s GLN 66 CO 0.43 -0.98 0.47 0.09 -0.25 0.00 0.00 175.29 175.04 1maa n ASN 67 N -2.33 -1.31 -4.88 5.90 3.02 -1.26 -4.89 115.26 109.51 1maa n ASN 67 Ca 0.17 0.68 -0.33 0.00 -0.03 0.00 0.00 54.58 55.07 1maa n ASN 67 Cb 0.62 -1.16 -0.05 0.00 -0.61 0.00 0.00 39.78 38.58 1maa n ASN 67 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1maa s VAL 68 N -1.79 5.12 0.26 2.41 1.01 -0.82 -4.76 120.40 121.84 1maa s VAL 68 Ca 0.67 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.63 1maa s VAL 68 Cb -0.41 -3.63 -0.10 0.00 0.00 0.00 0.00 36.38 32.24 1maa s VAL 68 CO 0.56 0.18 1.41 0.00 0.00 0.00 0.00 175.10 177.25 1maa n TYR 70 N 2.06 1.71 -3.84 0.00 4.19 -0.96 -4.76 117.16 115.56 1maa n TYR 70 Ca 0.05 0.64 -0.08 0.00 3.31 0.00 0.00 57.90 61.82 1maa n TYR 70 Cb 0.41 -2.37 0.00 0.00 0.49 0.00 0.00 39.34 37.87 1maa n TYR 70 CO 0.00 0.00 0.00 1.14 0.91 0.00 0.00 176.86 178.91 1maa s GLN 71 N 1.91 2.03 0.31 2.98 -2.07 -1.26 -4.66 119.66 118.91 1maa s GLN 71 Ca 0.92 -1.27 -0.27 0.00 -1.82 0.00 0.00 55.36 52.92 1maa s GLN 71 Cb -1.05 0.61 -0.09 0.00 -1.09 0.00 0.00 33.01 31.39 1maa s GLN 71 CO 0.57 -0.94 0.99 -0.47 -1.32 0.00 0.00 175.29 174.12 1maa s TYR 72 N -3.01 3.66 -0.18 9.60 6.14 -1.25 -5.03 117.35 127.28 1maa s TYR 72 Ca 0.14 1.77 -0.03 0.00 0.64 0.00 0.00 57.07 59.59 1maa s TYR 72 Cb -0.05 -3.03 -0.02 0.00 0.42 0.00 0.00 41.96 39.28 1maa s TYR 72 CO 0.10 -0.01 -0.05 0.08 0.64 0.00 0.00 175.55 176.30 1maa s VAL 73 N -1.47 3.55 -0.67 3.14 1.01 -1.26 -4.89 120.40 119.81 1maa s VAL 73 Ca 0.49 -0.46 -0.26 0.00 0.00 0.00 0.00 61.98 61.74 1maa s VAL 73 Cb -0.23 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 1maa s VAL 73 CO 0.29 0.47 1.70 -0.62 0.00 0.00 0.00 175.10 176.94 1maa s ASP 74 N 0.82 5.52 -0.18 3.32 2.15 -1.26 -4.86 116.67 122.19 1maa s ASP 74 Ca -0.02 0.04 0.16 0.00 0.43 0.00 0.00 52.55 53.17 1maa s ASP 74 Cb -0.15 -2.54 0.78 0.00 -0.30 0.00 0.00 42.92 40.72 1maa s ASP 74 CO 0.01 -2.24 1.70 0.35 -0.17 0.00 0.00 175.17 174.83 1maa n THR 75 N 7.02 2.33 0.20 1.71 -2.24 -1.26 -4.60 114.28 117.43 1maa n THR 75 Ca 0.17 -1.31 -0.15 0.00 -2.27 0.00 0.00 64.05 60.49 1maa n THR 75 Cb 0.51 -0.08 -0.07 0.00 -2.10 0.00 0.00 70.33 68.59 1maa n THR 75 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1maa h LEU 76 N 4.10 -0.82 -6.56 3.22 5.85 -2.00 -3.33 115.31 115.77 1maa h LEU 76 Ca 0.00 0.07 -0.61 0.00 0.84 0.00 0.00 57.88 58.19 1maa h LEU 76 Cb 1.74 0.28 -0.42 0.00 0.37 0.00 0.00 40.66 42.63 1maa h LEU 76 CO 0.37 -0.44 -0.60 -1.22 -0.34 0.00 0.00 178.44 176.22 1maa n TYR 77 N -5.42 3.38 -1.70 1.25 4.01 -1.26 -5.08 117.16 112.32 1maa n TYR 77 Ca -0.09 -4.20 -0.61 0.00 -0.16 0.00 0.00 57.90 52.83 1maa n TYR 77 Cb 0.33 -0.57 -0.08 0.00 -0.31 0.00 0.00 39.34 38.70 1maa n TYR 77 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1maa n PRO 78 N 1.33 0.65 -0.04 -0.72 -0.02 -1.25 -1.09 135.00 133.86 1maa n PRO 78 Ca 0.26 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1maa n PRO 78 Cb 0.39 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1maa n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1maa n GLY 79 N 3.84 1.55 3.65 -1.23 0.00 -1.26 -5.03 105.19 106.71 1maa n GLY 79 Ca 0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 1maa n GLY 79 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1maa s PHE 80 N -2.58 3.27 0.14 1.61 5.36 -0.25 -4.95 117.98 120.58 1maa s PHE 80 Ca 0.00 1.32 -0.28 0.00 -0.96 0.00 0.00 56.93 57.01 1maa s PHE 80 Cb 0.00 -3.39 -0.02 0.00 -0.34 0.00 0.00 43.02 39.27 1maa s PHE 80 CO 0.00 -0.57 1.58 1.49 -1.46 0.00 0.00 175.22 176.26 1maa h GLU 81 N 7.71 -0.38 0.00 10.12 4.81 -1.96 0.14 114.58 135.02 1maa h GLU 81 Ca -0.20 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1maa h GLU 81 Cb 1.06 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1maa h GLU 81 CO 0.98 -0.25 0.39 0.78 -0.73 0.00 0.00 179.01 180.18 1maa h GLY 82 N -0.39 0.00 0.00 1.92 0.00 -1.92 0.19 103.07 102.86 1maa h GLY 82 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.09 1maa h GLY 82 CO -0.49 0.00 -2.25 2.41 0.00 0.00 0.00 176.54 176.21 1maa n THR 83 N -2.64 1.25 0.19 4.70 -1.04 -0.27 -4.59 114.28 111.88 1maa n THR 83 Ca -0.02 -0.42 0.06 0.00 -2.04 0.00 0.00 64.05 61.64 1maa n THR 83 Cb 0.42 -1.46 0.34 0.00 -1.82 0.00 0.00 70.33 67.81 1maa n THR 83 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1maa h GLU 84 N -0.29 0.00 0.00 -2.82 4.39 -0.08 -3.12 114.58 112.66 1maa h GLU 84 Ca -0.52 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1maa h GLU 84 Cb 1.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.31 1maa h GLU 84 CO -0.17 0.35 0.16 0.00 -1.16 0.00 0.00 179.01 178.19 1maa h MET 85 N 0.00 0.00 0.00 2.33 -0.00 -0.88 0.53 114.93 116.91 1maa h MET 85 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1maa h MET 85 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.50 1maa h MET 85 CO 0.05 0.00 -1.29 0.91 -0.00 0.00 0.00 176.91 176.57 1maa n TRP 86 N -2.42 0.00 -1.55 -0.10 7.02 -1.18 -4.79 117.44 114.42 1maa n TRP 86 Ca -0.02 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.15 1maa n TRP 86 Cb 0.20 -0.19 0.06 0.00 -2.42 0.00 0.00 31.31 28.95 1maa n TRP 86 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1maa s ASN 87 N -3.31 4.99 0.12 -0.99 0.01 0.17 -4.71 114.94 111.22 1maa s ASN 87 Ca 0.00 1.83 -0.35 0.00 -0.71 0.00 0.00 52.86 53.63 1maa s ASN 87 Cb 0.12 -2.53 -0.15 0.00 0.41 0.00 0.00 41.25 39.10 1maa s ASN 87 CO 0.73 -1.71 1.47 -2.65 -1.51 0.00 0.00 177.10 173.43 1maa n PRO 88 N -2.95 1.67 -0.42 -0.60 -0.02 -1.26 -4.92 135.00 126.50 1maa n PRO 88 Ca 0.09 0.60 0.08 0.00 -2.02 0.00 0.00 63.50 62.25 1maa n PRO 88 Cb 0.53 -2.31 0.25 0.00 -0.02 0.00 0.00 33.50 31.94 1maa n PRO 88 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1maa n ASN 89 N 3.07 3.81 -3.68 2.55 6.94 -1.26 -4.99 115.26 121.71 1maa n ASN 89 Ca 0.18 -2.75 -0.11 0.00 -0.02 0.00 0.00 54.58 51.87 1maa n ASN 89 Cb 0.24 -0.48 -0.06 0.00 -2.36 0.00 0.00 39.78 37.12 1maa n ASN 89 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1maa s ARG 90 N -2.36 0.96 0.17 -3.83 1.81 -1.26 -5.07 118.95 109.38 1maa s ARG 90 Ca 0.39 -0.57 -0.33 0.00 -1.72 0.00 0.00 55.73 53.50 1maa s ARG 90 Cb 0.29 0.42 -0.16 0.00 -0.45 0.00 0.00 34.95 35.06 1maa s ARG 90 CO 0.12 -0.35 1.22 -1.91 -0.68 0.00 0.00 175.30 173.69 1maa n GLU 91 N 0.16 1.26 -2.70 3.54 2.13 -1.26 -4.19 120.64 119.58 1maa n GLU 91 Ca -0.17 0.45 -0.40 0.00 0.66 0.00 0.00 57.16 57.69 1maa n GLU 91 Cb 0.62 -1.99 -0.05 0.00 0.27 0.00 0.00 31.44 30.29 1maa n GLU 91 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1maa s LEU 92 N 0.59 4.60 -0.05 4.31 1.43 -1.26 -1.94 118.68 126.36 1maa s LEU 92 Ca 0.74 1.96 -0.30 0.00 -1.03 0.00 0.00 54.13 55.51 1maa s LEU 92 Cb -0.84 -3.61 0.08 0.00 0.03 0.00 0.00 46.19 41.85 1maa s LEU 92 CO 0.51 0.06 0.75 -0.55 0.23 0.00 0.00 176.35 177.35 1maa s SER 93 N -0.86 -0.57 0.21 2.29 0.15 -0.96 -4.91 113.70 109.06 1maa s SER 93 Ca 0.43 0.53 -0.04 0.00 0.70 0.00 0.00 55.95 57.56 1maa s SER 93 Cb -0.26 0.49 0.19 0.00 -1.71 0.00 0.00 66.02 64.72 1maa s SER 93 CO 0.33 -0.59 1.63 -0.33 1.20 0.00 0.00 173.24 175.48 1maa h GLU 94 N 2.73 0.79 -5.79 5.44 5.08 -1.95 -2.55 114.58 118.33 1maa h GLU 94 Ca -0.26 -0.31 -0.39 0.00 -1.00 0.00 0.00 59.36 57.41 1maa h GLU 94 Cb 1.17 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.32 1maa h GLU 94 CO 0.37 0.93 1.02 0.34 -1.00 0.00 0.00 179.01 180.67 1maa s ASP 95 N -6.74 5.53 -0.01 1.42 -1.08 -1.26 -4.52 116.67 110.02 1maa s ASP 95 Ca -0.09 -1.06 0.01 0.00 -0.52 0.00 0.00 52.55 50.88 1maa s ASP 95 Cb 0.13 -2.57 0.01 0.00 -1.46 0.00 0.00 42.92 39.04 1maa s ASP 95 CO 0.84 -2.42 0.72 0.00 0.52 0.00 0.00 175.17 174.83 1maa n LEU 97 N -0.10 5.12 -4.23 0.00 4.77 -1.26 -4.69 117.00 116.61 1maa n LEU 97 Ca 0.01 -4.23 -0.13 0.00 -0.03 0.00 0.00 56.01 51.62 1maa n LEU 97 Cb 0.55 -1.67 -0.10 0.00 -2.33 0.00 0.00 43.42 39.87 1maa n LEU 97 CO 0.00 0.49 -0.36 -0.31 -1.33 0.00 0.00 177.39 175.88 1maa s TYR 98 N 2.68 1.16 0.25 -1.77 1.51 -1.26 -3.13 117.35 116.79 1maa s TYR 98 Ca 0.48 -0.93 0.01 0.00 -1.01 0.00 0.00 57.07 55.61 1maa s TYR 98 Cb 0.00 -0.65 -0.05 0.00 -0.11 0.00 0.00 41.96 41.16 1maa s TYR 98 CO 0.03 -0.12 0.10 -0.48 -1.11 0.00 0.00 175.55 173.97 1maa s LEU 99 N -3.14 1.60 -0.01 -1.29 0.05 0.34 -2.16 118.68 114.06 1maa s LEU 99 Ca 0.19 -1.38 0.01 0.00 0.05 0.00 0.00 54.13 53.01 1maa s LEU 99 Cb 0.05 0.06 -0.00 0.00 -2.05 0.00 0.00 46.19 44.25 1maa s LEU 99 CO 0.01 -0.74 -0.05 0.20 -0.55 0.00 0.00 176.35 175.23 1maa s ASN 100 N -3.29 0.59 0.01 1.48 0.01 0.38 -0.96 114.94 113.16 1maa s ASN 100 Ca 0.37 -0.09 0.07 0.00 -0.71 0.00 0.00 52.86 52.50 1maa s ASN 100 Cb 0.08 -0.08 -0.02 0.00 0.41 0.00 0.00 41.25 41.63 1maa s ASN 100 CO 0.13 0.05 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.88 1maa s VAL 101 N -0.04 1.59 -0.07 1.60 1.01 0.89 -1.32 120.40 124.06 1maa s VAL 101 Ca 0.01 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.02 1maa s VAL 101 Cb -0.03 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 35.03 1maa s VAL 101 CO -0.00 0.34 -0.09 0.26 0.00 0.00 0.00 175.10 175.60 1maa s TRP 102 N -0.60 1.26 0.20 5.22 0.51 0.36 -0.52 118.94 125.37 1maa s TRP 102 Ca 0.07 -0.48 0.01 0.00 -2.12 0.00 0.00 56.10 53.59 1maa s TRP 102 Cb -0.08 -0.99 -0.05 0.00 -0.81 0.00 0.00 33.47 31.54 1maa s TRP 102 CO 0.00 -0.30 0.04 0.95 -0.51 0.00 0.00 176.95 177.14 1maa s THR 103 N 0.94 0.57 0.97 2.01 -4.23 -0.27 -1.10 115.64 114.54 1maa s THR 103 Ca -0.10 -1.98 -0.12 0.00 -1.18 0.00 0.00 61.69 58.31 1maa s THR 103 Cb -0.15 -2.31 0.17 0.00 1.34 0.00 0.00 72.50 71.55 1maa s THR 103 CO 0.00 -0.29 1.09 -2.84 -0.54 0.00 0.00 174.62 172.04 1maa s PRO 104 N -3.98 0.66 -0.12 3.99 0.02 -1.26 -0.60 135.00 133.72 1maa s PRO 104 Ca 0.29 0.79 0.01 0.00 0.02 0.00 0.00 61.00 62.11 1maa s PRO 104 Cb 0.07 -1.74 0.02 0.00 0.02 0.00 0.00 34.50 32.87 1maa s PRO 104 CO 0.08 -2.64 -0.12 -0.47 -0.33 0.00 0.00 177.00 173.51 1maa s TYR 105 N -2.85 1.84 0.87 6.54 6.14 -1.23 -2.91 117.35 125.75 1maa s TYR 105 Ca 0.65 -0.93 -0.11 0.00 0.64 0.00 0.00 57.07 57.31 1maa s TYR 105 Cb -0.20 -1.39 0.11 0.00 0.42 0.00 0.00 41.96 40.91 1maa s TYR 105 CO 0.58 -0.54 1.09 -1.25 0.64 0.00 0.00 175.55 176.08 1maa s PRO 106 N 1.36 1.46 0.31 4.97 0.04 -1.26 -4.70 135.00 137.17 1maa s PRO 106 Ca 0.00 0.79 -0.29 0.00 0.04 0.00 0.00 61.00 61.55 1maa s PRO 106 Cb -0.14 -1.83 -0.13 0.00 0.04 0.00 0.00 34.50 32.44 1maa s PRO 106 CO -0.06 -2.09 1.34 0.54 0.04 0.00 0.00 177.00 176.76 1maa n ARG 107 N -3.78 2.12 -1.66 4.56 1.74 -1.15 -4.88 116.66 113.61 1maa n ARG 107 Ca 0.07 0.75 -0.44 0.00 -0.77 0.00 0.00 57.85 57.45 1maa n ARG 107 Cb 0.55 -2.36 -0.02 0.00 -1.02 0.00 0.00 32.46 29.62 1maa n ARG 107 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1maa n PRO 108 N 1.09 1.94 -0.06 5.56 -0.04 -1.26 -4.95 135.00 137.28 1maa n PRO 108 Ca 0.07 0.69 -0.13 0.00 -0.04 0.00 0.00 63.50 64.09 1maa n PRO 108 Cb 0.35 -2.28 -0.07 0.00 -0.04 0.00 0.00 33.50 31.46 1maa n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1maa h ALA 109 N 3.44 0.24 -2.67 0.55 0.00 -1.93 -3.44 119.26 115.45 1maa h ALA 109 Ca -0.45 -0.33 -0.63 0.00 0.00 0.00 0.00 54.91 53.51 1maa h ALA 109 Cb 1.29 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 1maa h ALA 109 CO 0.70 0.13 -0.33 0.45 0.00 0.00 0.00 179.25 180.20 1maa s SER 110 N -6.16 6.60 -0.11 0.00 0.15 -1.26 -5.03 113.70 107.90 1maa s SER 110 Ca -0.14 0.72 -0.32 0.00 0.70 0.00 0.00 55.95 56.91 1maa s SER 110 Cb 0.06 -2.16 -0.10 0.00 -1.71 0.00 0.00 66.02 62.11 1maa s SER 110 CO 0.76 0.32 2.01 -2.65 1.20 0.00 0.00 173.24 174.88 1maa n PRO 111 N 1.63 2.23 -3.99 5.44 -0.02 -1.26 -4.89 135.00 134.14 1maa n PRO 111 Ca -0.15 0.77 -0.30 0.00 -2.02 0.00 0.00 63.50 61.80 1maa n PRO 111 Cb 0.53 -2.86 -0.05 0.00 -0.02 0.00 0.00 33.50 31.10 1maa n PRO 111 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1maa s THR 112 N 5.40 4.93 0.22 3.45 -4.23 -0.02 -4.68 115.64 120.71 1maa s THR 112 Ca 0.95 -0.62 -0.32 0.00 -1.18 0.00 0.00 61.69 60.52 1maa s THR 112 Cb -0.56 -3.41 -0.12 0.00 1.34 0.00 0.00 72.50 69.75 1maa s THR 112 CO 0.45 0.11 1.67 -2.65 -0.54 0.00 0.00 174.62 173.66 1maa n PRO 113 N 0.29 2.65 -3.37 3.99 -0.02 -1.26 0.12 135.00 137.40 1maa n PRO 113 Ca -0.07 0.95 -0.33 0.00 -2.02 0.00 0.00 63.50 62.04 1maa n PRO 113 Cb 0.52 -2.78 -0.06 0.00 -0.02 0.00 0.00 33.50 31.17 1maa n PRO 113 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1maa s VAL 114 N 0.91 4.89 -0.12 -1.45 1.01 -0.96 -3.56 120.40 121.12 1maa s VAL 114 Ca 0.74 0.60 0.01 0.00 0.00 0.00 0.00 61.98 63.32 1maa s VAL 114 Cb -0.53 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.22 1maa s VAL 114 CO 0.36 -0.01 -0.12 -0.76 0.00 0.00 0.00 175.10 174.57 1maa s LEU 115 N -2.63 1.50 -0.18 3.92 1.43 -0.49 -1.57 118.68 120.66 1maa s LEU 115 Ca 0.46 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 53.14 1maa s LEU 115 Cb -0.12 -1.00 -0.01 0.00 0.03 0.00 0.00 46.19 45.09 1maa s LEU 115 CO 0.20 -0.06 -0.06 -0.63 0.23 0.00 0.00 176.35 176.03 1maa s ILE 116 N 1.38 3.42 -0.20 -0.59 1.01 0.11 -1.04 121.20 125.29 1maa s ILE 116 Ca 0.01 -0.50 -0.08 0.00 0.00 0.00 0.00 60.65 60.07 1maa s ILE 116 Cb -0.13 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 1maa s ILE 116 CO -0.06 0.47 0.09 0.86 0.00 0.00 0.00 174.94 176.29 1maa s TRP 117 N 0.90 3.27 -0.26 3.97 -0.11 -0.19 -0.80 118.94 125.71 1maa s TRP 117 Ca -0.01 0.09 -0.01 0.00 1.22 0.00 0.00 56.10 57.39 1maa s TRP 117 Cb -0.15 -2.14 0.04 0.00 -1.50 0.00 0.00 33.47 29.72 1maa s TRP 117 CO 0.01 0.11 -0.06 0.42 -4.62 0.00 0.00 176.95 172.81 1maa s ILE 118 N 0.60 2.78 0.68 5.86 1.01 0.04 -3.73 121.20 128.44 1maa s ILE 118 Ca 0.05 -1.18 -0.15 0.00 0.00 0.00 0.00 60.65 59.37 1maa s ILE 118 Cb -0.13 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.89 1maa s ILE 118 CO 0.01 0.12 1.13 -0.72 0.00 0.00 0.00 174.94 175.48 1maa s TYR 119 N 1.28 2.48 0.00 3.97 -0.85 -1.26 -3.51 117.35 119.45 1maa s TYR 119 Ca -0.02 1.57 0.00 0.00 -0.52 0.00 0.00 57.07 58.10 1maa s TYR 119 Cb -0.18 -3.23 0.00 0.00 0.38 0.00 0.00 41.96 38.93 1maa s TYR 119 CO -0.04 -1.91 0.00 0.41 -1.52 0.00 0.00 175.55 172.49 1maa n GLY 120 N -0.33 0.14 0.00 5.49 0.00 -1.20 -3.20 105.19 106.09 1maa n GLY 120 Ca 0.11 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1maa n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1maa n GLY 121 N 5.00 1.72 2.70 -0.02 0.00 -1.26 -4.34 105.19 108.99 1maa n GLY 121 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1maa n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1maa n GLY 122 N -0.86 -0.50 3.83 -0.02 0.00 -1.26 -1.86 105.19 104.52 1maa n GLY 122 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1maa n GLY 122 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1maa n PHE 123 N -3.41 0.00 0.50 1.61 3.72 -1.26 -4.64 117.46 113.97 1maa n PHE 123 Ca -0.09 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.36 1maa n PHE 123 Cb 0.58 -1.48 -0.04 0.00 -0.94 0.00 0.00 39.48 37.59 1maa n PHE 123 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 1maa n TYR 124 N -2.01 0.00 -3.85 1.38 0.18 -0.88 0.15 117.16 112.13 1maa n TYR 124 Ca 0.00 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.70 1maa n TYR 124 Cb 0.06 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.01 1maa n TYR 124 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1maa s SER 125 N -1.80 -0.13 0.00 9.48 1.04 -0.78 -3.85 113.70 117.67 1maa s SER 125 Ca 0.06 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.65 1maa s SER 125 Cb 0.08 0.77 0.00 0.00 0.10 0.00 0.00 66.02 66.97 1maa s SER 125 CO 0.38 -1.47 0.00 0.61 0.98 0.00 0.00 173.24 173.74 1maa n GLY 126 N -0.48 2.03 3.65 7.32 0.00 -1.26 -4.07 105.19 112.37 1maa n GLY 126 Ca -0.05 -2.07 -0.02 0.00 0.00 0.00 0.00 46.02 43.88 1maa n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1maa s ALA 127 N -1.58 -2.13 -0.97 4.61 0.00 -1.26 -4.54 121.76 115.88 1maa s ALA 127 Ca 0.00 1.90 0.28 0.00 0.00 0.00 0.00 51.96 54.14 1maa s ALA 127 Cb 0.00 -1.58 1.10 0.00 0.00 0.00 0.00 23.12 22.64 1maa s ALA 127 CO 0.00 -0.23 1.84 0.00 0.00 0.00 0.00 175.76 177.37 1maa n ALA 128 N 0.55 2.49 0.25 0.00 0.00 -1.26 -3.64 120.51 118.90 1maa n ALA 128 Ca -0.00 -0.13 0.10 0.00 0.00 0.00 0.00 53.44 53.41 1maa n ALA 128 Cb 0.59 -1.42 0.64 0.00 0.00 0.00 0.00 19.45 19.26 1maa n ALA 128 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1maa h SER 129 N 0.00 0.00 -3.01 0.00 0.02 -1.93 -3.45 113.55 105.19 1maa h SER 129 Ca 0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 1maa h SER 129 Cb 0.52 0.00 0.11 0.00 0.14 0.00 0.00 62.40 63.17 1maa h SER 129 CO 0.00 0.13 0.43 0.18 -1.14 0.00 0.00 176.83 176.44 1maa n LEU 130 N -3.98 3.05 0.26 5.07 4.77 -1.24 -4.91 117.00 120.02 1maa n LEU 130 Ca -0.02 1.19 0.12 0.00 -0.03 0.00 0.00 56.01 57.27 1maa n LEU 130 Cb 0.22 -1.43 0.78 0.00 -2.33 0.00 0.00 43.42 40.66 1maa n LEU 130 CO 0.33 -0.71 1.11 0.44 -1.33 0.00 0.00 177.39 177.22 1maa h ASP 131 N 2.67 0.00 1.67 -1.43 5.19 -1.89 -0.85 116.42 121.78 1maa h ASP 131 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1maa h ASP 131 Cb 1.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.81 1maa h ASP 131 CO 0.64 0.00 0.00 -0.37 -3.12 0.00 0.00 179.24 176.39 1maa h VAL 132 N 0.00 0.00 -0.99 -1.35 -1.51 -1.90 -3.24 116.25 107.26 1maa h VAL 132 Ca 0.02 -0.82 -0.62 0.00 -1.23 0.00 0.00 66.70 64.05 1maa h VAL 132 Cb 0.09 1.82 -0.30 0.00 -2.13 0.00 0.00 31.29 30.77 1maa h VAL 132 CO -0.00 0.00 0.78 -1.22 -1.23 0.00 0.00 177.57 175.90 1maa n TYR 133 N -3.04 3.16 -2.71 5.19 4.01 -0.33 -4.54 117.16 118.90 1maa n TYR 133 Ca 0.03 -2.60 -0.43 0.00 -0.16 0.00 0.00 57.90 54.74 1maa n TYR 133 Cb 0.45 -1.26 -0.03 0.00 -0.31 0.00 0.00 39.34 38.20 1maa n TYR 133 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1maa s ASP 134 N -1.66 6.79 0.46 7.72 -1.08 -1.23 -4.93 116.67 122.74 1maa s ASP 134 Ca 0.62 0.79 0.25 0.00 -0.52 0.00 0.00 52.55 53.68 1maa s ASP 134 Cb 0.50 -2.51 1.04 0.00 -1.46 0.00 0.00 42.92 40.49 1maa s ASP 134 CO 0.03 -0.90 1.88 1.23 0.52 0.00 0.00 175.17 177.93 1maa h GLY 135 N 10.18 0.00 -0.52 2.66 0.00 -1.93 -3.34 103.07 110.12 1maa h GLY 135 Ca -0.22 0.00 0.33 0.00 0.00 0.00 0.00 47.33 47.44 1maa h GLY 135 CO 1.02 0.00 0.74 0.07 0.00 0.00 0.00 176.54 178.37 1maa h ARG 136 N 0.00 0.25 0.05 4.80 0.11 -1.91 0.58 114.38 118.26 1maa h ARG 136 Ca -0.00 -0.02 -0.17 0.00 0.10 0.00 0.00 59.98 59.89 1maa h ARG 136 Cb 0.66 -0.06 0.02 0.00 1.11 0.00 0.00 29.97 31.70 1maa h ARG 136 CO 0.03 0.17 -0.70 0.74 0.10 0.00 0.00 179.97 180.30 1maa h PHE 137 N 0.26 0.61 -0.56 4.08 0.04 -1.76 -1.40 116.94 118.20 1maa h PHE 137 Ca 0.68 -0.37 -0.02 0.00 2.80 0.00 0.00 57.97 61.07 1maa h PHE 137 Cb 1.94 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 40.01 1maa h PHE 137 CO -0.00 1.22 0.29 1.25 -0.60 0.00 0.00 178.31 180.47 1maa h LEU 138 N -0.17 0.72 0.35 1.54 5.85 -1.36 0.71 115.31 122.95 1maa h LEU 138 Ca -0.10 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1maa h LEU 138 Cb 1.45 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1maa h LEU 138 CO 0.14 0.62 -0.17 0.00 -0.34 0.00 0.00 178.44 178.69 1maa h ALA 139 N 1.12 -0.47 0.02 1.25 0.00 -0.99 -0.61 119.26 119.58 1maa h ALA 139 Ca 0.20 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1maa h ALA 139 Cb 0.08 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1maa h ALA 139 CO -0.03 -0.72 -0.01 0.37 0.00 0.00 0.00 179.25 178.86 1maa h GLN 140 N -0.56 -0.02 -0.12 0.00 -0.00 -1.18 0.11 115.11 113.35 1maa h GLN 140 Ca -0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.50 1maa h GLN 140 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.91 1maa h GLN 140 CO 0.08 0.45 -0.33 0.28 0.00 0.00 0.00 178.83 179.31 1maa h VAL 141 N -0.50 1.38 -0.01 2.39 2.07 -0.94 -3.34 116.25 117.30 1maa h VAL 141 Ca -0.00 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 65.88 1maa h VAL 141 Cb 0.48 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1maa h VAL 141 CO 0.00 0.48 -0.60 -0.62 0.02 0.00 0.00 177.57 176.86 1maa n GLU 142 N -4.39 1.05 -1.06 1.57 -0.58 -0.26 -4.98 120.64 112.00 1maa n GLU 142 Ca -0.07 -0.65 -0.02 0.00 -0.42 0.00 0.00 57.16 56.00 1maa n GLU 142 Cb 0.50 -1.43 -0.01 0.00 -0.57 0.00 0.00 31.44 29.93 1maa n GLU 142 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1maa n GLY 143 N 1.39 0.51 3.76 0.62 0.00 0.02 -4.98 105.19 106.52 1maa n GLY 143 Ca 0.07 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1maa n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1maa s ALA 144 N -1.88 2.19 -0.34 4.61 0.00 -1.20 -4.64 121.76 120.49 1maa s ALA 144 Ca 0.00 0.29 -0.06 0.00 0.00 0.00 0.00 51.96 52.19 1maa s ALA 144 Cb 0.00 -3.29 0.05 0.00 0.00 0.00 0.00 23.12 19.88 1maa s ALA 144 CO 0.00 -1.85 0.10 0.08 0.00 0.00 0.00 175.76 174.09 1maa s VAL 145 N -2.88 3.69 -0.19 0.00 1.01 -1.23 -4.25 120.40 116.53 1maa s VAL 145 Ca 0.62 -1.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 1maa s VAL 145 Cb -0.18 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 1maa s VAL 145 CO 0.56 -0.20 -0.02 -0.22 0.00 0.00 0.00 175.10 175.21 1maa s LEU 146 N 1.37 3.13 0.09 3.92 0.20 -0.25 -1.39 118.68 125.75 1maa s LEU 146 Ca -0.02 -0.25 0.07 0.00 0.69 0.00 0.00 54.13 54.63 1maa s LEU 146 Cb -0.20 -1.79 -0.04 0.00 -0.43 0.00 0.00 46.19 43.74 1maa s LEU 146 CO 0.02 0.06 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.34 1maa s VAL 147 N 1.00 3.31 -0.19 1.68 1.01 -0.21 -0.48 120.40 126.51 1maa s VAL 147 Ca 0.01 -1.23 -0.14 0.00 0.00 0.00 0.00 61.98 60.63 1maa s VAL 147 Cb -0.14 -2.52 0.06 0.00 0.00 0.00 0.00 36.38 33.77 1maa s VAL 147 CO 0.01 0.16 0.48 -0.94 0.00 0.00 0.00 175.10 174.81 1maa s SER 148 N -2.05 -0.56 0.31 3.32 1.04 -0.43 -1.02 113.70 114.30 1maa s SER 148 Ca 0.20 1.01 0.09 0.00 0.48 0.00 0.00 55.95 57.73 1maa s SER 148 Cb -0.11 0.95 -0.06 0.00 0.10 0.00 0.00 66.02 66.90 1maa s SER 148 CO 0.12 -0.19 -0.10 0.00 0.98 0.00 0.00 173.24 174.05 1maa s MET 149 N 0.90 1.70 0.02 4.02 0.23 -1.24 -0.47 119.30 124.46 1maa s MET 149 Ca -0.05 -1.86 -0.05 0.00 -1.03 0.00 0.00 55.69 52.70 1maa s MET 149 Cb -0.06 -1.53 -0.05 0.00 -1.53 0.00 0.00 34.83 31.67 1maa s MET 149 CO -0.07 0.14 0.25 -0.80 -2.03 0.00 0.00 175.02 172.51 1maa s ASN 150 N -3.54 6.45 -0.01 -1.18 -0.87 -0.92 -4.49 114.94 110.39 1maa s ASN 150 Ca 0.31 0.49 -0.04 0.00 -1.57 0.00 0.00 52.86 52.05 1maa s ASN 150 Cb 0.02 -2.06 -0.00 0.00 -0.02 0.00 0.00 41.25 39.19 1maa s ASN 150 CO 0.15 0.23 0.08 -0.72 -2.57 0.00 0.00 177.10 174.26 1maa s TYR 151 N -1.36 0.03 0.55 2.20 -0.85 -1.26 -4.63 117.35 112.03 1maa s TYR 151 Ca 0.29 -0.05 -0.21 0.00 -0.52 0.00 0.00 57.07 56.58 1maa s TYR 151 Cb -0.13 -0.04 -0.05 0.00 0.38 0.00 0.00 41.96 42.12 1maa s TYR 151 CO 0.18 -0.16 1.28 0.54 -1.52 0.00 0.00 175.55 175.88 1maa n ARG 152 N 2.21 1.55 -4.37 -3.49 1.74 -1.26 -4.89 116.66 108.15 1maa n ARG 152 Ca -0.18 0.57 -0.19 0.00 -0.77 0.00 0.00 57.85 57.28 1maa n ARG 152 Cb 0.57 -2.48 -0.10 0.00 -1.02 0.00 0.00 32.46 29.43 1maa n ARG 152 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1maa s VAL 153 N -1.32 0.78 0.00 1.55 -7.23 -1.26 -4.44 120.40 108.48 1maa s VAL 153 Ca 0.72 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 1maa s VAL 153 Cb -0.43 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 33.83 1maa s VAL 153 CO 0.49 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.89 1maa n GLY 154 N -0.56 0.99 0.38 2.32 0.00 0.41 -2.31 105.19 106.42 1maa n GLY 154 Ca -0.01 -0.62 0.17 0.00 0.00 0.00 0.00 46.02 45.56 1maa n GLY 154 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1maa h THR 155 N 0.00 0.67 -0.63 2.61 1.35 -1.88 0.12 112.91 115.15 1maa h THR 155 Ca 0.00 -0.19 -0.05 0.00 -0.55 0.00 0.00 66.41 65.62 1maa h THR 155 Cb 0.00 0.07 -0.03 0.00 -1.73 0.00 0.00 68.15 66.46 1maa h THR 155 CO 0.00 0.10 0.20 -0.26 -0.25 0.00 0.00 175.52 175.32 1maa h PHE 156 N 0.56 1.01 0.00 4.73 0.04 -1.88 -2.29 116.94 119.11 1maa h PHE 156 Ca 0.53 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 61.20 1maa h PHE 156 Cb 1.10 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.95 1maa h PHE 156 CO -0.00 0.82 -0.99 0.41 -0.60 0.00 0.00 178.31 177.94 1maa n GLY 157 N -0.74 -0.91 0.00 -1.45 0.00 -0.85 -4.05 105.19 97.19 1maa n GLY 157 Ca 0.04 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1maa n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1maa n PHE 158 N -1.51 0.00 -1.96 1.61 3.72 0.37 -1.01 117.46 118.69 1maa n PHE 158 Ca 0.04 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.01 1maa n PHE 158 Cb 0.32 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.84 1maa n PHE 158 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1maa s LEU 159 N -0.13 4.36 0.03 4.37 0.20 -0.86 -4.50 118.68 122.15 1maa s LEU 159 Ca 0.00 2.45 0.05 0.00 0.69 0.00 0.00 54.13 57.32 1maa s LEU 159 Cb 0.00 -3.56 -0.02 0.00 -0.43 0.00 0.00 46.19 42.18 1maa s LEU 159 CO 0.00 -0.87 -0.16 0.00 -0.29 0.00 0.00 176.35 175.03 1maa s ALA 160 N 2.59 1.32 -0.52 5.97 0.00 -1.26 -4.14 121.76 125.72 1maa s ALA 160 Ca 0.73 -0.84 0.07 0.00 0.00 0.00 0.00 51.96 51.92 1maa s ALA 160 Cb -0.39 -0.25 0.25 0.00 0.00 0.00 0.00 23.12 22.73 1maa s ALA 160 CO 0.32 0.28 0.63 1.28 0.00 0.00 0.00 175.76 178.27 1maa n LEU 161 N 2.08 2.01 -3.11 0.00 4.32 -0.63 -3.81 117.00 117.85 1maa n LEU 161 Ca -0.17 -5.07 -0.41 0.00 -0.02 0.00 0.00 56.01 50.34 1maa n LEU 161 Cb 0.54 -0.04 -0.06 0.00 -1.62 0.00 0.00 43.42 42.24 1maa n LEU 161 CO 0.23 2.05 0.41 -2.65 -1.22 0.00 0.00 177.39 176.21 1maa n PRO 162 N 1.17 0.00 0.00 3.23 -0.02 -1.26 -1.59 135.00 136.53 1maa n PRO 162 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1maa n PRO 162 Cb 0.47 -1.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.91 1maa n PRO 162 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1maa n GLY 163 N 1.10 2.13 3.93 -1.23 0.00 -1.26 -5.04 105.19 104.81 1maa n GLY 163 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1maa n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1maa s SER 164 N -2.17 4.67 -0.20 1.61 1.04 -0.62 -5.02 113.70 113.00 1maa s SER 164 Ca 0.00 0.47 -0.11 0.00 0.48 0.00 0.00 55.95 56.79 1maa s SER 164 Cb 0.00 -1.06 -0.20 0.00 0.10 0.00 0.00 66.02 64.86 1maa s SER 164 CO 0.00 -1.71 0.09 0.54 0.98 0.00 0.00 173.24 173.14 1maa n ARG 165 N -3.02 0.65 0.02 4.02 1.74 -1.26 -3.91 116.66 114.90 1maa n ARG 165 Ca 0.09 0.35 0.10 0.00 -0.77 0.00 0.00 57.85 57.61 1maa n ARG 165 Cb 0.60 -1.65 0.41 0.00 -1.02 0.00 0.00 32.46 30.81 1maa n ARG 165 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1maa n GLU 166 N -3.90 0.04 -2.84 5.56 0.00 -1.26 -4.11 120.64 114.13 1maa n GLU 166 Ca -0.39 0.21 -0.11 0.00 0.00 0.00 0.00 57.16 56.87 1maa n GLU 166 Cb 0.89 -1.56 0.05 0.00 0.00 0.00 0.00 31.44 30.82 1maa n GLU 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1maa n ALA 167 N -1.55 -0.32 0.30 -1.84 0.00 -1.26 -4.06 120.51 111.78 1maa n ALA 167 Ca 0.04 -1.88 0.18 0.00 0.00 0.00 0.00 53.44 51.79 1maa n ALA 167 Cb 0.23 -1.15 0.82 0.00 0.00 0.00 0.00 19.45 19.34 1maa n ALA 167 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1maa h PRO 168 N 3.40 0.00 0.00 0.00 0.13 -1.71 -1.68 132.00 132.14 1maa h PRO 168 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1maa h PRO 168 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1maa h PRO 168 CO 0.27 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.45 1maa n GLY 169 N -0.32 -0.74 3.02 1.56 0.00 -1.26 -4.60 105.19 102.85 1maa n GLY 169 Ca -0.00 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1maa n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1maa n ASN 170 N -1.48 -4.70 -0.31 1.61 3.02 -1.26 -4.86 115.26 107.27 1maa n ASN 170 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.65 1maa n ASN 170 Cb 0.00 -3.08 0.31 0.00 -0.61 0.00 0.00 39.78 36.40 1maa n ASN 170 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1maa h VAL 171 N 0.00 0.87 -0.29 2.41 -1.51 -1.85 0.12 116.25 116.00 1maa h VAL 171 Ca 0.00 -0.29 0.03 0.00 -1.23 0.00 0.00 66.70 65.21 1maa h VAL 171 Cb 0.78 -0.04 -0.01 0.00 -2.13 0.00 0.00 31.29 29.89 1maa h VAL 171 CO 0.00 0.15 0.20 1.23 -1.23 0.00 0.00 177.57 177.92 1maa h GLY 172 N 0.84 0.30 1.87 5.19 0.00 -1.31 0.22 103.07 110.17 1maa h GLY 172 Ca 0.47 -0.10 -0.15 0.00 0.00 0.00 0.00 47.33 47.55 1maa h GLY 172 CO -0.24 0.09 -0.67 1.41 0.00 0.00 0.00 176.54 177.13 1maa h LEU 173 N 0.27 0.16 -0.45 3.11 3.38 -1.02 -2.66 115.31 118.09 1maa h LEU 173 Ca 0.12 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 1maa h LEU 173 Cb 0.15 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1maa h LEU 173 CO -0.02 0.78 -0.36 -0.07 0.09 0.00 0.00 178.44 178.85 1maa h LEU 174 N 0.09 0.96 -0.27 1.67 3.38 -0.21 -1.61 115.31 119.32 1maa h LEU 174 Ca -0.01 -0.42 0.06 0.00 0.09 0.00 0.00 57.88 57.59 1maa h LEU 174 Cb 1.19 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 1maa h LEU 174 CO 0.10 1.21 -0.10 0.44 0.09 0.00 0.00 178.44 180.18 1maa h ASP 175 N 0.74 -0.34 -0.95 -0.43 3.32 -0.61 0.49 116.42 118.63 1maa h ASP 175 Ca 0.07 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 1maa h ASP 175 Cb 0.94 0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.65 1maa h ASP 175 CO 0.09 -0.13 0.58 1.56 -1.72 0.00 0.00 179.24 179.62 1maa h GLN 176 N -0.05 1.29 -0.18 3.56 4.20 -1.29 -0.58 115.11 122.06 1maa h GLN 176 Ca 0.14 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1maa h GLN 176 Cb 0.25 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1maa h GLN 176 CO -0.30 0.90 0.07 -0.09 -0.67 0.00 0.00 178.83 178.73 1maa h ARG 177 N 1.31 0.28 -0.74 1.46 2.43 -0.06 0.44 114.38 119.50 1maa h ARG 177 Ca 0.34 -0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.57 1maa h ARG 177 Cb -0.07 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.36 1maa h ARG 177 CO -0.07 0.36 0.36 1.25 -1.51 0.00 0.00 179.97 180.36 1maa h LEU 178 N 0.14 0.44 -0.73 3.80 6.46 0.34 0.27 115.31 126.04 1maa h LEU 178 Ca 0.06 0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.86 1maa h LEU 178 Cb 0.18 -0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.08 1maa h LEU 178 CO -0.00 0.24 0.33 0.00 -0.62 0.00 0.00 178.44 178.38 1maa h ALA 179 N 1.46 0.94 -0.51 1.25 0.00 -0.79 -0.27 119.26 121.34 1maa h ALA 179 Ca 0.37 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1maa h ALA 179 Cb 0.44 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1maa h ALA 179 CO -0.30 0.53 0.30 -0.07 0.00 0.00 0.00 179.25 179.71 1maa h LEU 180 N 1.03 0.61 -0.04 0.00 4.07 0.16 -0.97 115.31 120.17 1maa h LEU 180 Ca 0.25 -0.03 -0.04 0.00 0.08 0.00 0.00 57.88 58.14 1maa h LEU 180 Cb 0.15 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1maa h LEU 180 CO -0.03 0.47 -0.12 1.56 -1.08 0.00 0.00 178.44 179.25 1maa h GLN 181 N 0.70 0.15 -0.63 1.13 4.20 -0.14 -2.42 115.11 118.11 1maa h GLN 181 Ca 0.19 -0.11 0.13 0.00 0.06 0.00 0.00 58.65 58.92 1maa h GLN 181 Cb -0.02 0.02 -0.10 0.00 0.30 0.00 0.00 27.48 27.68 1maa h GLN 181 CO -0.03 0.73 0.05 2.35 -0.67 0.00 0.00 178.83 181.25 1maa h TRP 182 N -0.40 0.05 -0.00 2.96 7.01 -0.61 0.23 115.95 125.18 1maa h TRP 182 Ca -0.00 0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.06 1maa h TRP 182 Cb 0.74 0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.85 1maa h TRP 182 CO 0.13 -0.13 -0.09 0.28 -2.79 0.00 0.00 178.44 175.84 1maa h VAL 183 N 0.16 0.76 -0.65 2.65 2.07 -1.17 0.10 116.25 120.17 1maa h VAL 183 Ca 0.33 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.98 1maa h VAL 183 Cb 0.54 0.76 -0.12 0.00 -1.52 0.00 0.00 31.29 30.95 1maa h VAL 183 CO -0.50 0.00 -0.19 -0.61 0.02 0.00 0.00 177.57 176.29 1maa h GLN 184 N -0.16 -0.03 0.00 1.57 4.15 -0.11 0.46 115.11 121.00 1maa h GLN 184 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1maa h GLN 184 Cb 0.20 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.90 1maa h GLN 184 CO -0.10 -0.02 0.00 0.39 -1.93 0.00 0.00 178.83 177.17 1maa n GLU 185 N -5.45 0.00 0.27 1.69 1.02 -0.20 -4.50 120.64 113.48 1maa n GLU 185 Ca 0.08 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.40 1maa n GLU 185 Cb 0.34 -0.54 0.91 0.00 -0.02 0.00 0.00 31.44 32.14 1maa n GLU 185 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1maa h ASN 186 N 0.00 0.00 -0.01 1.62 2.35 -0.79 -3.33 115.58 115.43 1maa h ASN 186 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1maa h ASN 186 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1maa h ASN 186 CO 0.00 0.00 0.02 -0.29 -1.65 0.00 0.00 177.43 175.51 1maa h ILE 187 N 0.00 0.15 -0.36 2.81 6.09 -0.18 -1.88 117.51 124.14 1maa h ILE 187 Ca 0.04 0.00 -0.06 0.00 -1.37 0.00 0.00 64.86 63.47 1maa h ILE 187 Cb 0.49 0.98 -0.02 0.00 0.47 0.00 0.00 36.82 38.74 1maa h ILE 187 CO -0.00 0.00 -0.04 0.00 -3.07 0.00 0.00 178.15 175.04 1maa h ALA 188 N 1.96 1.26 -0.32 0.18 0.00 -1.67 -1.23 119.26 119.44 1maa h ALA 188 Ca 0.00 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.77 1maa h ALA 188 Cb 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1maa h ALA 188 CO -0.00 0.49 0.29 0.00 0.00 0.00 0.00 179.25 180.03 1maa h ALA 189 N 1.41 2.09 -0.01 0.00 0.00 -1.64 -0.26 119.26 120.85 1maa h ALA 189 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1maa h ALA 189 Cb 0.42 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1maa h ALA 189 CO 0.02 -0.46 -0.51 1.19 0.00 0.00 0.00 179.25 179.49 1maa n PHE 190 N -4.00 0.00 0.00 0.00 3.01 -0.96 -4.89 117.46 110.61 1maa n PHE 190 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 1maa n PHE 190 Cb 0.45 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.89 1maa n PHE 190 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1maa n GLY 191 N 1.42 0.87 3.86 1.37 0.00 -0.11 -4.54 105.19 108.06 1maa n GLY 191 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1maa n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1maa s GLY 192 N -1.43 1.99 -0.36 -0.02 0.00 -0.50 -0.84 107.32 106.16 1maa s GLY 192 Ca 0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 44.72 44.57 1maa s GLY 192 CO 0.00 0.17 0.17 -0.35 0.00 0.00 0.00 173.10 173.10 1maa s ASP 193 N -3.13 5.59 0.34 1.64 2.15 0.12 -3.67 116.67 119.72 1maa s ASP 193 Ca 0.54 -1.04 0.24 0.00 0.43 0.00 0.00 52.55 52.72 1maa s ASP 193 Cb -0.10 -1.97 1.24 0.00 -0.30 0.00 0.00 42.92 41.79 1maa s ASP 193 CO 0.31 -0.37 1.74 -0.65 -0.17 0.00 0.00 175.17 176.04 1maa h PRO 194 N 8.36 0.00 -0.41 4.34 0.11 -1.88 -0.71 132.00 141.81 1maa h PRO 194 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1maa h PRO 194 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1maa h PRO 194 CO 0.65 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 177.11 1maa n MET 195 N -2.34 2.00 -2.72 1.05 2.81 -1.26 -4.37 117.12 112.29 1maa n MET 195 Ca -0.01 -1.54 -0.05 0.00 -1.81 0.00 0.00 57.70 54.29 1maa n MET 195 Cb 0.08 -1.35 0.07 0.00 -0.71 0.00 0.00 33.22 31.31 1maa n MET 195 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1maa n SER 196 N 0.75 0.35 -4.70 7.83 2.88 -0.27 -4.97 113.62 115.49 1maa n SER 196 Ca 0.15 -2.40 -0.42 0.00 -1.33 0.00 0.00 58.87 54.87 1maa n SER 196 Cb 0.37 -0.02 -0.03 0.00 -0.75 0.00 0.00 64.21 63.78 1maa n SER 196 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1maa s VAL 197 N -2.14 4.88 -0.15 2.46 1.01 -1.25 -2.25 120.40 122.95 1maa s VAL 197 Ca 0.23 1.91 0.01 0.00 0.00 0.00 0.00 61.98 64.13 1maa s VAL 197 Cb 0.41 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 32.56 1maa s VAL 197 CO -0.03 0.12 -0.16 -0.89 0.00 0.00 0.00 175.10 174.14 1maa s THR 198 N 1.35 1.67 0.19 3.92 2.01 -0.61 -1.13 115.64 123.05 1maa s THR 198 Ca 0.47 -0.70 -0.12 0.00 0.31 0.00 0.00 61.69 61.65 1maa s THR 198 Cb -0.19 -1.55 -0.07 0.00 0.01 0.00 0.00 72.50 70.70 1maa s THR 198 CO 0.22 0.48 0.56 -0.76 -0.69 0.00 0.00 174.62 174.43 1maa s LEU 199 N 1.38 4.25 -0.18 4.42 1.43 -0.94 0.04 118.68 129.07 1maa s LEU 199 Ca 0.04 1.02 -0.16 0.00 -1.03 0.00 0.00 54.13 54.00 1maa s LEU 199 Cb -0.13 -3.49 0.05 0.00 0.03 0.00 0.00 46.19 42.65 1maa s LEU 199 CO -0.10 0.01 0.48 0.72 0.23 0.00 0.00 176.35 177.69 1maa s PHE 200 N -1.65 -0.57 0.35 0.29 -0.71 0.02 -0.79 117.98 114.92 1maa s PHE 200 Ca 0.43 1.34 -0.07 0.00 -1.04 0.00 0.00 56.93 57.59 1maa s PHE 200 Cb -0.13 0.22 0.02 0.00 -1.21 0.00 0.00 43.02 41.91 1maa s PHE 200 CO 0.20 -0.28 0.57 0.20 -1.34 0.00 0.00 175.22 174.56 1maa s GLY 201 N 0.51 1.09 -0.01 1.99 0.00 -1.11 -0.78 107.32 109.00 1maa s GLY 201 Ca -0.02 -1.24 -0.03 0.00 0.00 0.00 0.00 44.72 43.43 1maa s GLY 201 CO -0.03 -0.77 0.06 1.85 0.00 0.00 0.00 173.10 174.22 1maa s GLU 202 N -2.93 0.19 6.36 2.90 -6.30 -1.23 -1.83 118.70 115.87 1maa s GLU 202 Ca 0.25 -0.12 0.00 0.00 -2.50 0.00 0.00 54.97 52.61 1maa s GLU 202 Cb -0.02 0.08 0.00 0.00 0.00 0.00 0.00 34.13 34.19 1maa s GLU 202 CO 0.17 -0.03 0.00 0.45 0.02 0.00 0.00 175.26 175.86 1maa n SER 203 N 2.50 0.00 0.18 -1.70 2.88 -0.80 0.30 113.62 116.98 1maa n SER 203 Ca -0.16 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.56 1maa n SER 203 Cb 0.58 0.00 0.80 0.00 -0.75 0.00 0.00 64.21 64.84 1maa n SER 203 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1maa h ALA 204 N -0.80 1.84 -0.18 -1.46 0.00 -1.85 0.82 119.26 117.62 1maa h ALA 204 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1maa h ALA 204 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1maa h ALA 204 CO 0.00 -0.47 0.00 0.78 0.00 0.00 0.00 179.25 179.57 1maa h GLY 205 N 0.00 0.34 1.70 0.00 0.00 -0.12 -0.13 103.07 104.85 1maa h GLY 205 Ca 0.12 -0.24 -0.10 0.00 0.00 0.00 0.00 47.33 47.11 1maa h GLY 205 CO -0.00 0.22 -0.32 0.00 0.00 0.00 0.00 176.54 176.44 1maa h ALA 206 N 0.78 1.13 0.06 3.60 0.00 -0.85 -0.99 119.26 122.99 1maa h ALA 206 Ca 0.05 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1maa h ALA 206 Cb 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1maa h ALA 206 CO 0.01 0.56 -0.03 0.00 0.00 0.00 0.00 179.25 179.79 1maa h ALA 207 N 1.36 -0.08 -0.78 0.00 0.00 -1.11 -0.67 119.26 117.98 1maa h ALA 207 Ca 0.04 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1maa h ALA 207 Cb 0.72 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 1maa h ALA 207 CO 0.05 -0.53 0.44 0.77 0.00 0.00 0.00 179.25 179.99 1maa h SER 208 N -0.11 0.63 0.16 0.00 0.02 -0.52 0.00 113.55 113.72 1maa h SER 208 Ca -0.01 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1maa h SER 208 Cb 0.09 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1maa h SER 208 CO 0.01 0.37 -0.21 0.58 -1.14 0.00 0.00 176.83 176.44 1maa h VAL 209 N 0.75 0.53 -0.72 2.27 2.07 -0.69 -1.83 116.25 118.63 1maa h VAL 209 Ca 0.37 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.02 1maa h VAL 209 Cb 0.32 0.53 -0.09 0.00 -1.52 0.00 0.00 31.29 30.53 1maa h VAL 209 CO -0.23 0.00 0.28 1.23 0.02 0.00 0.00 177.57 178.86 1maa h GLY 210 N -0.43 1.06 0.76 2.17 0.00 0.09 0.11 103.07 106.83 1maa h GLY 210 Ca 0.01 -0.13 0.10 0.00 0.00 0.00 0.00 47.33 47.31 1maa h GLY 210 CO -0.09 -0.08 0.54 -0.33 0.00 0.00 0.00 176.54 176.58 1maa h MET 211 N 0.43 0.75 0.00 4.80 2.86 -0.47 0.14 114.93 123.43 1maa h MET 211 Ca 0.39 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.94 1maa h MET 211 Cb 0.57 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1maa h MET 211 CO -0.39 0.49 -0.22 0.45 1.06 0.00 0.00 176.91 178.30 1maa h HIS 212 N 0.77 0.00 0.01 -0.22 3.86 0.01 -0.98 115.15 118.61 1maa h HIS 212 Ca 0.39 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.36 1maa h HIS 212 Cb 0.48 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.96 1maa h HIS 212 CO -0.00 0.22 -0.99 0.82 0.86 0.00 0.00 177.93 178.84 1maa h ILE 213 N 0.00 1.36 -0.05 2.45 2.04 -0.47 -3.10 117.51 119.74 1maa h ILE 213 Ca -0.00 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.46 1maa h ILE 213 Cb 0.79 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 39.30 1maa h ILE 213 CO 0.03 0.72 0.00 0.18 0.00 0.00 0.00 178.15 179.08 1maa n LEU 214 N -3.78 1.18 -4.11 1.44 4.32 -0.29 -4.72 117.00 111.05 1maa n LEU 214 Ca -0.08 -0.43 -0.33 0.00 -0.02 0.00 0.00 56.01 55.15 1maa n LEU 214 Cb 0.86 -0.03 -0.15 0.00 -1.62 0.00 0.00 43.42 42.48 1maa n LEU 214 CO 0.53 0.22 -0.48 -0.55 -1.22 0.00 0.00 177.39 175.88 1maa s SER 215 N -1.84 3.87 0.18 -1.43 0.15 -0.40 -4.74 113.70 109.49 1maa s SER 215 Ca 0.37 -1.02 -0.25 0.00 0.70 0.00 0.00 55.95 55.75 1maa s SER 215 Cb 0.19 -1.53 0.06 0.00 -1.71 0.00 0.00 66.02 63.03 1maa s SER 215 CO 0.31 -0.10 1.56 0.25 1.20 0.00 0.00 173.24 176.45 1maa h LEU 216 N 7.87 -1.66 -0.28 3.45 7.12 -1.84 -1.57 115.31 128.40 1maa h LEU 216 Ca -0.32 0.29 0.06 0.00 0.13 0.00 0.00 57.88 58.04 1maa h LEU 216 Cb 1.09 0.78 -0.07 0.00 -0.53 0.00 0.00 40.66 41.93 1maa h LEU 216 CO 0.55 -0.30 -0.15 -0.65 -0.13 0.00 0.00 178.44 177.76 1maa h PRO 217 N -0.11 -0.11 0.00 5.25 0.11 -1.96 -0.60 132.00 134.57 1maa h PRO 217 Ca 0.22 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.32 1maa h PRO 217 Cb 0.54 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.67 1maa h PRO 217 CO -0.84 -0.08 -0.09 0.77 -0.21 0.00 0.00 178.00 177.56 1maa h SER 218 N -0.12 0.00 0.38 -2.05 0.02 -1.67 -2.81 113.55 107.30 1maa h SER 218 Ca 0.15 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1maa h SER 218 Cb 0.34 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 1maa h SER 218 CO -0.36 0.09 -0.02 -0.09 -1.14 0.00 0.00 176.83 175.31 1maa h ARG 219 N 0.00 0.00 -0.73 3.45 9.65 -0.12 -2.57 114.38 124.07 1maa h ARG 219 Ca -0.00 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.77 1maa h ARG 219 Cb 0.19 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.71 1maa h ARG 219 CO 0.01 0.02 0.13 -1.13 2.80 0.00 0.00 179.97 181.80 1maa n SER 220 N -3.20 4.75 0.00 -3.80 3.41 -1.06 -3.91 113.62 109.81 1maa n SER 220 Ca -0.02 -2.94 0.00 0.00 -0.26 0.00 0.00 58.87 55.66 1maa n SER 220 Cb 0.17 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 1maa n SER 220 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1maa n LEU 221 N 0.20 1.28 -3.86 1.04 4.77 -0.97 -5.06 117.00 114.40 1maa n LEU 221 Ca 0.30 -1.28 -0.07 0.00 -0.03 0.00 0.00 56.01 54.93 1maa n LEU 221 Cb 1.17 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.25 1maa n LEU 221 CO 0.34 0.32 0.46 0.72 -1.33 0.00 0.00 177.39 177.89 1maa s PHE 222 N -0.39 -0.11 0.00 -1.77 -0.71 -1.25 -4.86 117.98 108.88 1maa s PHE 222 Ca 0.00 -0.37 0.00 0.00 -1.04 0.00 0.00 56.93 55.52 1maa s PHE 222 Cb 0.00 0.69 0.00 0.00 -1.21 0.00 0.00 43.02 42.50 1maa s PHE 222 CO 0.00 -1.26 0.00 0.72 -1.34 0.00 0.00 175.22 173.34 1maa n HIS 223 N -0.46 0.00 -4.31 3.49 8.25 -0.28 -4.96 115.22 116.95 1maa n HIS 223 Ca -0.04 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.26 1maa n HIS 223 Cb 0.59 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.60 1maa n HIS 223 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1maa s ARG 224 N -1.49 1.29 -0.02 -0.41 0.52 -1.15 -4.29 118.95 113.40 1maa s ARG 224 Ca 0.00 -1.65 -0.21 0.00 -0.52 0.00 0.00 55.73 53.35 1maa s ARG 224 Cb 0.00 -0.49 0.04 0.00 0.52 0.00 0.00 34.95 35.03 1maa s ARG 224 CO 0.00 -0.13 0.45 0.00 0.02 0.00 0.00 175.30 175.64 1maa s ALA 225 N -3.52 -1.16 -0.09 2.13 0.00 -1.09 -2.21 121.76 115.81 1maa s ALA 225 Ca 0.29 0.68 -0.00 0.00 0.00 0.00 0.00 51.96 52.92 1maa s ALA 225 Cb 0.06 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.28 1maa s ALA 225 CO 0.08 -0.32 -0.06 0.08 0.00 0.00 0.00 175.76 175.54 1maa s VAL 226 N -1.40 0.87 -0.32 0.00 1.01 0.03 -1.00 120.40 119.59 1maa s VAL 226 Ca -0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 1maa s VAL 226 Cb -0.03 -0.90 0.06 0.00 0.00 0.00 0.00 36.38 35.51 1maa s VAL 226 CO 0.06 0.33 0.05 -0.76 0.00 0.00 0.00 175.10 174.78 1maa s LEU 227 N 1.54 4.21 -0.29 3.92 1.02 0.13 -2.76 118.68 126.46 1maa s LEU 227 Ca 0.01 -1.43 -0.10 0.00 0.02 0.00 0.00 54.13 52.62 1maa s LEU 227 Cb -0.13 -1.74 -0.03 0.00 0.02 0.00 0.00 46.19 44.30 1maa s LEU 227 CO -0.05 -0.32 0.17 -1.10 0.02 0.00 0.00 176.35 175.06 1maa s GLN 228 N 1.23 3.74 -1.37 1.70 -0.21 -0.76 -2.14 119.66 121.85 1maa s GLN 228 Ca -0.02 -0.45 -0.09 0.00 0.02 0.00 0.00 55.36 54.81 1maa s GLN 228 Cb -0.20 -3.60 0.01 0.00 1.00 0.00 0.00 33.01 30.21 1maa s GLN 228 CO -0.02 -0.25 0.41 0.43 -2.12 0.00 0.00 175.29 173.75 1maa n SER 229 N 5.03 -1.43 -3.64 5.90 7.64 -0.08 -1.91 113.62 125.13 1maa n SER 229 Ca -0.14 -1.13 -0.02 0.00 1.01 0.00 0.00 58.87 58.58 1maa n SER 229 Cb 0.51 -2.50 -0.03 0.00 -1.01 0.00 0.00 64.21 61.18 1maa n SER 229 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1maa s GLY 230 N -4.09 -0.03 0.10 0.23 0.00 -1.26 -1.91 107.32 100.36 1maa s GLY 230 Ca 0.16 2.47 -0.13 0.00 0.00 0.00 0.00 44.72 47.23 1maa s GLY 230 CO 0.93 0.94 0.30 -0.51 0.00 0.00 0.00 173.10 174.76 1maa s THR 231 N -1.40 0.10 0.13 0.90 -4.23 -1.26 -4.45 115.64 105.44 1maa s THR 231 Ca 0.09 -0.84 -0.05 0.00 -1.18 0.00 0.00 61.69 59.71 1maa s THR 231 Cb -0.01 -1.23 -0.16 0.00 1.34 0.00 0.00 72.50 72.44 1maa s THR 231 CO -0.06 -0.47 1.33 1.55 -0.54 0.00 0.00 174.62 176.44 1maa h PRO 232 N 2.59 0.48 -7.61 3.99 0.13 -1.81 -3.39 132.00 126.36 1maa h PRO 232 Ca -0.34 -0.46 -0.45 0.00 -0.87 0.00 0.00 66.00 63.88 1maa h PRO 232 Cb 1.23 0.12 0.13 0.00 0.13 0.00 0.00 31.00 32.61 1maa h PRO 232 CO 0.51 1.10 0.34 0.54 -0.23 0.00 0.00 178.00 180.26 1maa s ASN 233 N -7.07 3.64 0.00 1.44 4.22 -1.26 -4.54 114.94 111.37 1maa s ASN 233 Ca -0.07 0.20 0.00 0.00 -2.14 0.00 0.00 52.86 50.85 1maa s ASN 233 Cb 0.09 -0.40 0.00 0.00 1.28 0.00 0.00 41.25 42.22 1maa s ASN 233 CO 0.87 -2.38 0.00 0.61 -2.04 0.00 0.00 177.10 174.16 1maa n GLY 234 N -3.46 2.49 0.24 0.45 0.00 -1.26 -4.67 105.19 98.98 1maa n GLY 234 Ca 0.14 -2.03 0.12 0.00 0.00 0.00 0.00 46.02 44.24 1maa n GLY 234 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1maa h PRO 235 N 0.00 0.00 0.00 1.61 0.13 -1.87 -3.37 132.00 128.50 1maa h PRO 235 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 1maa h PRO 235 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1maa h PRO 235 CO 0.00 0.17 -1.59 -2.67 -0.23 0.00 0.00 178.00 173.68 1maa n TRP 236 N -3.50 0.00 0.27 1.56 4.27 -1.26 -4.72 117.44 114.05 1maa n TRP 236 Ca -0.01 0.00 0.16 0.00 -3.89 0.00 0.00 57.50 53.76 1maa n TRP 236 Cb 0.33 -0.39 0.89 0.00 -1.36 0.00 0.00 31.31 30.78 1maa n TRP 236 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1maa h ALA 237 N 0.61 1.61 -2.46 -1.67 0.00 -1.83 -3.43 119.26 112.08 1maa h ALA 237 Ca -0.18 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 1maa h ALA 237 Cb 1.24 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.89 1maa h ALA 237 CO 0.01 -0.11 -0.53 0.95 0.00 0.00 0.00 179.25 179.57 1maa s THR 238 N -4.61 0.12 0.08 0.00 -4.23 -1.26 -3.88 115.64 101.86 1maa s THR 238 Ca -0.05 -1.64 0.03 0.00 -1.18 0.00 0.00 61.69 58.85 1maa s THR 238 Cb 0.15 -1.78 -0.03 0.00 1.34 0.00 0.00 72.50 72.18 1maa s THR 238 CO 0.54 -0.55 -0.09 0.68 -0.54 0.00 0.00 174.62 174.65 1maa s VAL 239 N -3.97 0.82 0.94 2.29 -7.23 -0.28 -4.97 120.40 107.99 1maa s VAL 239 Ca 0.16 -1.55 -0.11 0.00 -1.81 0.00 0.00 61.98 58.67 1maa s VAL 239 Cb 0.06 -1.23 0.16 0.00 0.56 0.00 0.00 36.38 35.93 1maa s VAL 239 CO -0.03 -0.55 1.11 -0.94 -0.31 0.00 0.00 175.10 174.37 1maa s SER 240 N -2.32 2.85 0.24 4.85 1.04 -1.26 -1.54 113.70 117.56 1maa s SER 240 Ca 0.03 1.89 0.05 0.00 0.48 0.00 0.00 55.95 58.40 1maa s SER 240 Cb -0.03 -2.45 0.25 0.00 0.10 0.00 0.00 66.02 63.89 1maa s SER 240 CO -0.01 -3.09 1.56 0.00 0.98 0.00 0.00 173.24 172.68 1maa h ALA 241 N -1.86 0.85 -0.27 5.32 0.00 -1.96 -0.93 119.26 120.41 1maa h ALA 241 Ca -0.48 -0.56 -0.17 0.00 0.00 0.00 0.00 54.91 53.70 1maa h ALA 241 Cb 1.28 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1maa h ALA 241 CO 0.47 0.75 -0.52 0.78 0.00 0.00 0.00 179.25 180.73 1maa h GLY 242 N 1.57 0.84 0.57 0.00 0.00 -1.93 -2.04 103.07 102.09 1maa h GLY 242 Ca -0.01 -0.96 -0.00 0.00 0.00 0.00 0.00 47.33 46.36 1maa h GLY 242 CO 0.09 0.87 -0.01 -2.09 0.00 0.00 0.00 176.54 175.40 1maa h GLU 243 N 0.60 -0.03 -0.99 4.80 4.57 -1.91 -0.02 114.58 121.60 1maa h GLU 243 Ca 0.02 0.00 0.25 0.00 -1.18 0.00 0.00 59.36 58.45 1maa h GLU 243 Cb 1.11 0.01 -0.13 0.00 -0.16 0.00 0.00 28.75 29.58 1maa h GLU 243 CO 0.11 0.40 0.57 0.00 -1.18 0.00 0.00 179.01 178.90 1maa h ALA 244 N 0.50 1.75 -0.02 2.92 0.00 -1.14 0.40 119.26 123.66 1maa h ALA 244 Ca -0.00 0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.82 1maa h ALA 244 Cb 0.44 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1maa h ALA 244 CO 0.01 -0.29 -0.90 -0.09 0.00 0.00 0.00 179.25 177.97 1maa h ARG 245 N 0.55 0.44 0.10 0.00 2.43 -1.21 -1.83 114.38 114.85 1maa h ARG 245 Ca 0.64 -0.44 0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1maa h ARG 245 Cb 1.22 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.87 1maa h ARG 245 CO -0.49 1.10 -0.19 -0.09 -1.51 0.00 0.00 179.97 178.79 1maa h ARG 246 N 0.26 -0.34 0.21 0.20 1.12 0.17 -1.16 114.38 114.84 1maa h ARG 246 Ca -0.07 0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.81 1maa h ARG 246 Cb 1.52 0.08 0.00 0.00 -0.01 0.00 0.00 29.97 31.56 1maa h ARG 246 CO 0.16 -0.23 -0.10 0.00 -3.11 0.00 0.00 179.97 176.69 1maa h ARG 247 N -0.36 -0.27 -0.70 0.20 3.08 -1.12 -1.26 114.38 113.95 1maa h ARG 247 Ca 0.03 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.16 1maa h ARG 247 Cb 0.38 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.43 1maa h ARG 247 CO -0.11 -0.11 0.40 0.00 -1.07 0.00 0.00 179.97 179.08 1maa h ALA 248 N 0.40 0.94 -0.45 0.04 0.00 -1.28 0.35 119.26 119.27 1maa h ALA 248 Ca -0.03 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1maa h ALA 248 Cb 0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1maa h ALA 248 CO 0.05 0.08 -0.16 1.15 0.00 0.00 0.00 179.25 180.37 1maa h THR 249 N 0.73 1.27 0.63 0.00 2.02 -1.14 -0.56 112.91 115.85 1maa h THR 249 Ca 0.31 -1.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.20 1maa h THR 249 Cb 0.19 1.09 0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1maa h THR 249 CO -0.18 0.43 -0.30 0.25 0.37 0.00 0.00 175.52 176.08 1maa h LEU 250 N 0.75 -0.72 -0.80 2.58 5.85 -0.10 -1.83 115.31 121.04 1maa h LEU 250 Ca 0.11 -0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.96 1maa h LEU 250 Cb 0.67 0.19 -0.10 0.00 0.37 0.00 0.00 40.66 41.79 1maa h LEU 250 CO 0.05 -0.38 0.36 0.25 -0.34 0.00 0.00 178.44 178.38 1maa h LEU 251 N -1.07 0.39 -0.59 2.25 6.46 -0.30 0.29 115.31 122.74 1maa h LEU 251 Ca -0.09 0.10 0.06 0.00 -0.12 0.00 0.00 57.88 57.84 1maa h LEU 251 Cb 0.70 0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.63 1maa h LEU 251 CO 0.14 0.15 0.30 0.00 -0.62 0.00 0.00 178.44 178.40 1maa h ALA 252 N 1.56 0.77 -0.47 1.25 0.00 -1.00 -1.52 119.26 119.85 1maa h ALA 252 Ca 0.44 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.29 1maa h ALA 252 Cb 0.66 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1maa h ALA 252 CO -0.39 -0.06 -0.08 -0.09 0.00 0.00 0.00 179.25 178.63 1maa h ARG 253 N 0.55 0.85 0.00 0.00 2.43 0.01 0.19 114.38 118.41 1maa h ARG 253 Ca 0.27 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1maa h ARG 253 Cb 0.20 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1maa h ARG 253 CO -0.20 0.90 -0.04 -0.07 -1.51 0.00 0.00 179.97 179.06 1maa h LEU 254 N 0.77 0.00 -3.34 3.80 3.38 0.44 -1.30 115.31 119.06 1maa h LEU 254 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1maa h LEU 254 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1maa h LEU 254 CO 0.04 0.04 0.00 1.33 0.09 0.00 0.00 178.44 179.93 1maa n VAL 255 N -3.47 2.40 -1.26 1.22 0.24 -0.85 -4.96 118.33 111.66 1maa n VAL 255 Ca -0.02 -1.74 0.00 0.00 -2.04 0.00 0.00 64.34 60.54 1maa n VAL 255 Cb 0.15 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.27 1maa n VAL 255 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1maa n GLY 256 N -0.18 0.68 0.00 7.63 0.00 -0.49 -5.06 105.19 107.77 1maa n GLY 256 Ca 0.23 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1maa n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1maa n ASN 265 N -1.68 -7.05 -0.33 0.00 2.85 -1.26 -4.85 115.26 102.94 1maa n ASN 265 Ca 0.00 0.92 0.17 0.00 -0.11 0.00 0.00 54.58 55.55 1maa n ASN 265 Cb 0.00 -1.83 0.37 0.00 1.24 0.00 0.00 39.78 39.56 1maa n ASN 265 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 1maa h ASP 266 N 4.80 0.53 0.45 1.20 5.19 -2.01 -1.75 116.42 124.83 1maa h ASP 266 Ca -0.04 0.15 -0.02 0.00 -0.62 0.00 0.00 57.03 56.50 1maa h ASP 266 Cb 0.22 0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.82 1maa h ASP 266 CO 0.00 0.04 -0.22 0.74 -3.12 0.00 0.00 179.24 176.68 1maa h THR 267 N 0.49 0.55 0.00 0.35 2.02 -2.01 -1.84 112.91 112.46 1maa h THR 267 Ca 0.62 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.63 1maa h THR 267 Cb 1.21 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 68.25 1maa h THR 267 CO -0.51 0.03 -0.02 -0.08 0.37 0.00 0.00 175.52 175.31 1maa h GLU 268 N -0.70 0.00 0.07 6.66 4.81 -1.85 -0.69 114.58 122.88 1maa h GLU 268 Ca -0.06 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1maa h GLU 268 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1maa h GLU 268 CO 0.10 0.02 -0.04 1.25 -0.73 0.00 0.00 179.01 179.62 1maa h LEU 269 N 0.00 -0.08 -1.48 1.64 6.46 -1.16 -2.72 115.31 117.96 1maa h LEU 269 Ca -0.00 -0.53 0.00 0.00 -0.12 0.00 0.00 57.88 57.23 1maa h LEU 269 Cb 0.06 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 39.99 1maa h LEU 269 CO 0.00 0.58 0.33 0.40 -0.62 0.00 0.00 178.44 179.13 1maa h ILE 270 N -0.83 1.14 -0.58 4.05 1.08 -0.93 -0.82 117.51 120.61 1maa h ILE 270 Ca -0.01 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1maa h ILE 270 Cb 0.61 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 34.73 1maa h ILE 270 CO 0.02 0.13 0.38 0.00 -0.69 0.00 0.00 178.15 177.99 1maa h ALA 271 N 1.67 0.73 -0.26 1.87 0.00 -1.16 -0.46 119.26 121.65 1maa h ALA 271 Ca 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1maa h ALA 271 Cb -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1maa h ALA 271 CO -0.04 0.18 0.06 0.00 0.00 0.00 0.00 179.25 179.44 1maa h LEU 273 N 0.24 0.00 -0.17 0.00 3.38 -0.77 -1.34 115.31 116.66 1maa h LEU 273 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1maa h LEU 273 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1maa h LEU 273 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.07 1maa n ARG 274 N -3.98 0.24 0.04 1.13 1.74 -0.22 -2.66 116.66 112.95 1maa n ARG 274 Ca -0.02 0.26 0.12 0.00 -0.77 0.00 0.00 57.85 57.44 1maa n ARG 274 Cb 0.11 -1.82 0.19 0.00 -1.02 0.00 0.00 32.46 29.92 1maa n ARG 274 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1maa n THR 275 N -2.25 0.24 -2.52 0.55 -2.24 -0.51 -4.90 114.28 102.65 1maa n THR 275 Ca 0.05 -0.19 -0.41 0.00 -2.27 0.00 0.00 64.05 61.22 1maa n THR 275 Cb 0.38 -0.01 -0.04 0.00 -2.10 0.00 0.00 70.33 68.56 1maa n THR 275 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1maa s ARG 276 N -3.12 4.56 0.34 -0.78 1.81 -1.09 -4.99 118.95 115.67 1maa s ARG 276 Ca 0.07 1.69 -0.28 0.00 -1.72 0.00 0.00 55.73 55.50 1maa s ARG 276 Cb 0.15 -3.31 -0.12 0.00 -0.45 0.00 0.00 34.95 31.21 1maa s ARG 276 CO 0.72 -0.00 1.32 -2.30 -0.68 0.00 0.00 175.30 174.36 1maa n PRO 277 N 2.84 2.19 -0.29 3.54 -0.02 -1.26 -4.87 135.00 137.13 1maa n PRO 277 Ca 0.04 0.77 0.23 0.00 -2.02 0.00 0.00 63.50 62.52 1maa n PRO 277 Cb 0.47 -2.37 0.55 0.00 -0.02 0.00 0.00 33.50 32.12 1maa n PRO 277 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1maa h ALA 278 N 2.77 2.35 -0.05 3.55 0.00 -1.96 -0.24 119.26 125.68 1maa h ALA 278 Ca -0.46 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.30 1maa h ALA 278 Cb 1.28 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1maa h ALA 278 CO 0.64 -0.70 -0.73 0.37 0.00 0.00 0.00 179.25 178.83 1maa h GLN 279 N 0.33 0.28 -0.99 0.00 5.75 -1.99 -2.50 115.11 115.99 1maa h GLN 279 Ca 0.54 -0.24 0.16 0.00 -0.15 0.00 0.00 58.65 58.97 1maa h GLN 279 Cb 1.49 0.05 -0.10 0.00 1.07 0.00 0.00 27.48 29.99 1maa h GLN 279 CO -0.21 0.89 0.61 0.22 -2.65 0.00 0.00 178.83 177.68 1maa h ASP 280 N 0.19 0.82 0.24 -0.69 3.58 -1.39 0.17 116.42 119.34 1maa h ASP 280 Ca -0.03 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 1maa h ASP 280 Cb 1.29 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.27 1maa h ASP 280 CO 0.12 0.34 -0.12 -0.07 -2.88 0.00 0.00 179.24 176.63 1maa h LEU 281 N 0.83 -0.27 -0.95 2.28 4.07 -1.46 -3.05 115.31 116.76 1maa h LEU 281 Ca 0.54 -0.25 0.16 0.00 0.08 0.00 0.00 57.88 58.41 1maa h LEU 281 Cb 0.74 0.07 -0.10 0.00 1.08 0.00 0.00 40.66 42.46 1maa h LEU 281 CO -0.34 0.20 0.56 0.58 -1.08 0.00 0.00 178.44 178.36 1maa h VAL 282 N -0.85 0.76 -0.75 1.22 2.07 -0.96 0.16 116.25 117.90 1maa h VAL 282 Ca -0.03 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.28 1maa h VAL 282 Cb 0.51 -0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 1maa h VAL 282 CO 0.05 0.14 0.49 0.44 0.02 0.00 0.00 177.57 178.72 1maa h ASP 283 N 0.77 0.72 -0.02 0.57 3.32 -0.70 -2.96 116.42 118.12 1maa h ASP 283 Ca 0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.57 1maa h ASP 283 Cb 0.72 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1maa h ASP 283 CO -0.35 0.47 -0.40 1.41 -1.72 0.00 0.00 179.24 178.65 1maa n HIS 284 N -4.48 0.00 0.25 4.55 8.25 -0.36 -4.56 115.22 118.88 1maa n HIS 284 Ca 0.11 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.74 1maa n HIS 284 Cb 0.20 0.00 0.89 0.00 1.12 0.00 0.00 29.99 32.20 1maa n HIS 284 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 1maa h GLU 285 N 2.41 0.00 0.00 -0.41 4.11 -0.85 -1.84 114.58 117.99 1maa h GLU 285 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1maa h GLU 285 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1maa h GLU 285 CO 0.00 0.00 -0.64 -1.49 0.07 0.00 0.00 179.01 176.95 1maa h TRP 286 N 0.00 0.00 0.00 2.06 4.06 -1.80 -3.34 115.95 116.93 1maa h TRP 286 Ca 0.05 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.00 1maa h TRP 286 Cb 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.47 1maa h TRP 286 CO 0.00 0.00 0.00 0.45 -3.56 0.00 0.00 178.44 175.33 1maa h HIS 287 N 0.00 0.00 0.00 0.49 3.86 -1.64 -3.12 115.15 114.74 1maa h HIS 287 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1maa h HIS 287 Cb 0.81 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.28 1maa h HIS 287 CO 0.00 0.00 -0.14 -0.39 0.86 0.00 0.00 177.93 178.26 1maa h VAL 288 N 0.00 0.00 -2.94 2.45 -1.51 -1.71 -3.46 116.25 109.08 1maa h VAL 288 Ca 0.00 -0.62 -0.59 0.00 -1.23 0.00 0.00 66.70 64.26 1maa h VAL 288 Cb 0.40 1.54 0.11 0.00 -2.13 0.00 0.00 31.29 31.22 1maa h VAL 288 CO 0.00 0.00 0.29 0.18 -1.23 0.00 0.00 177.57 176.81 1maa n LEU 289 N -2.45 2.68 0.13 4.19 4.77 -1.18 -4.87 117.00 120.27 1maa n LEU 289 Ca 0.05 1.16 0.02 0.00 -0.03 0.00 0.00 56.01 57.20 1maa n LEU 289 Cb 0.46 -1.38 0.01 0.00 -2.33 0.00 0.00 43.42 40.17 1maa n LEU 289 CO 0.33 -1.04 0.40 1.55 -1.33 0.00 0.00 177.39 177.29 1maa h PRO 290 N 2.12 0.00 -4.05 3.23 0.13 -1.94 -3.48 132.00 128.01 1maa h PRO 290 Ca -0.43 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.59 1maa h PRO 290 Cb 1.32 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.30 1maa h PRO 290 CO 0.61 0.53 -0.57 -0.65 -0.23 0.00 0.00 178.00 177.69 1maa s GLN 291 N -2.94 0.68 -0.42 0.86 -0.21 -1.26 -5.10 119.66 111.27 1maa s GLN 291 Ca 0.03 -1.08 -0.28 0.00 0.02 0.00 0.00 55.36 54.06 1maa s GLN 291 Cb 0.08 0.25 -0.03 0.00 1.00 0.00 0.00 33.01 34.31 1maa s GLN 291 CO 0.76 -0.16 1.94 -2.00 -2.12 0.00 0.00 175.29 173.71 1maa s GLU 292 N -3.72 2.95 0.35 2.91 2.12 -1.26 -4.91 118.70 117.14 1maa s GLU 292 Ca 0.05 1.27 0.03 0.00 0.36 0.00 0.00 54.97 56.68 1maa s GLU 292 Cb 0.06 -4.32 -0.01 0.00 0.26 0.00 0.00 34.13 30.11 1maa s GLU 292 CO -0.10 -2.32 0.39 -1.54 -0.54 0.00 0.00 175.26 171.16 1maa s SER 293 N 7.70 1.42 -0.00 -1.70 1.04 -1.26 -4.51 113.70 116.39 1maa s SER 293 Ca 0.81 -1.67 -0.08 0.00 0.48 0.00 0.00 55.95 55.49 1maa s SER 293 Cb -0.20 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1maa s SER 293 CO 0.29 -1.21 0.15 0.27 0.98 0.00 0.00 173.24 173.73 1maa s ILE 294 N -3.14 0.08 -1.24 -1.02 -4.36 -1.16 -4.88 121.20 105.48 1maa s ILE 294 Ca 0.36 -0.64 -0.07 0.00 -0.26 0.00 0.00 60.65 60.04 1maa s ILE 294 Cb 0.01 -0.44 0.01 0.00 1.25 0.00 0.00 42.46 43.29 1maa s ILE 294 CO 0.25 -0.35 0.91 0.33 0.24 0.00 0.00 174.94 176.33 1maa n PHE 295 N 1.52 -2.33 -3.63 1.37 -0.00 -1.26 -4.83 117.46 108.30 1maa n PHE 295 Ca -0.22 0.78 -0.17 0.00 -0.00 0.00 0.00 57.45 57.84 1maa n PHE 295 Cb 0.56 -4.44 -0.15 0.00 -0.00 0.00 0.00 39.48 35.45 1maa n PHE 295 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 1maa s ARG 296 N -6.00 0.08 -0.01 -4.13 6.06 -1.26 -4.65 118.95 109.04 1maa s ARG 296 Ca 0.45 0.50 0.01 0.00 -2.50 0.00 0.00 55.73 54.20 1maa s ARG 296 Cb -0.20 -0.47 -0.04 0.00 0.06 0.00 0.00 34.95 34.31 1maa s ARG 296 CO 0.56 -0.38 -0.01 -0.06 -2.50 0.00 0.00 175.30 172.91 1maa s PHE 297 N 2.31 3.05 0.08 5.12 0.08 -1.26 -5.02 117.98 122.35 1maa s PHE 297 Ca 0.03 0.07 -0.34 0.00 0.12 0.00 0.00 56.93 56.82 1maa s PHE 297 Cb -0.13 -1.67 -0.16 0.00 -0.57 0.00 0.00 43.02 40.49 1maa s PHE 297 CO -0.07 0.45 1.59 0.77 -0.10 0.00 0.00 175.22 177.86 1maa h SER 298 N 4.42 -1.11 -3.61 1.36 0.02 -1.90 -3.40 113.55 109.33 1maa h SER 298 Ca -0.49 0.08 -0.68 0.00 -0.84 0.00 0.00 61.79 59.86 1maa h SER 298 Cb 1.18 0.35 -0.37 0.00 0.14 0.00 0.00 62.40 63.70 1maa h SER 298 CO 0.57 -0.61 -0.64 -0.36 -1.14 0.00 0.00 176.83 174.64 1maa s PHE 299 N -5.96 3.65 0.35 3.45 0.40 -1.26 -4.99 117.98 113.62 1maa s PHE 299 Ca -0.18 -2.67 0.02 0.00 -0.60 0.00 0.00 56.93 53.50 1maa s PHE 299 Cb 0.05 -2.99 -0.01 0.00 0.51 0.00 0.00 43.02 40.58 1maa s PHE 299 CO 0.62 -0.95 0.06 1.33 0.70 0.00 0.00 175.22 176.97 1maa n VAL 300 N 4.43 0.00 -1.80 -0.44 0.24 -1.26 -4.47 118.33 115.02 1maa n VAL 300 Ca -0.00 -1.85 -0.42 0.00 -2.04 0.00 0.00 64.34 60.03 1maa n VAL 300 Cb 0.42 0.52 -0.03 0.00 -1.47 0.00 0.00 33.84 33.27 1maa n VAL 300 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 1maa s PRO 301 N -3.31 4.16 0.16 7.34 0.02 -1.25 -4.75 135.00 137.37 1maa s PRO 301 Ca 0.08 2.50 -0.11 0.00 0.02 0.00 0.00 61.00 63.49 1maa s PRO 301 Cb 0.00 -3.43 -0.07 0.00 0.02 0.00 0.00 34.50 31.03 1maa s PRO 301 CO 0.06 -0.76 0.50 0.54 -0.33 0.00 0.00 177.00 177.01 1maa s VAL 302 N 2.18 4.96 -0.87 3.83 0.11 -1.26 -1.13 120.40 128.22 1maa s VAL 302 Ca 0.76 0.56 -0.20 0.00 -2.93 0.00 0.00 61.98 60.17 1maa s VAL 302 Cb -0.45 -3.67 0.10 0.00 -1.53 0.00 0.00 36.38 30.84 1maa s VAL 302 CO 0.34 0.13 1.13 -0.69 -3.33 0.00 0.00 175.10 172.67 1maa s VAL 303 N -1.58 4.51 -1.32 2.04 1.01 -0.59 -4.76 120.40 119.71 1maa s VAL 303 Ca 0.40 -1.13 0.25 0.00 0.00 0.00 0.00 61.98 61.50 1maa s VAL 303 Cb -0.13 -4.79 0.06 0.00 0.00 0.00 0.00 36.38 31.52 1maa s VAL 303 CO 0.20 -1.55 1.37 -0.90 0.00 0.00 0.00 175.10 174.22 1maa n ASP 304 N 7.18 0.84 -0.83 3.32 5.75 -1.25 -4.12 116.55 127.44 1maa n ASP 304 Ca 0.17 -0.64 -0.09 0.00 -0.01 0.00 0.00 54.79 54.22 1maa n ASP 304 Cb 0.48 0.33 -0.02 0.00 -1.03 0.00 0.00 41.12 40.88 1maa n ASP 304 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1maa n GLY 305 N 1.44 0.57 0.17 6.12 0.00 0.16 -4.85 105.19 108.80 1maa n GLY 305 Ca 0.08 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1maa n GLY 305 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1maa n ASP 306 N 0.46 0.00 -0.17 1.61 2.03 -1.26 -4.59 116.55 114.62 1maa n ASP 306 Ca -0.10 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.13 1maa n ASP 306 Cb 0.42 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.83 1maa n ASP 306 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1maa h PHE 307 N 0.00 0.76 -3.69 -0.67 3.04 -1.92 -3.33 116.94 111.13 1maa h PHE 307 Ca 0.00 -0.06 -0.69 0.00 3.98 0.00 0.00 57.97 61.21 1maa h PHE 307 Cb 0.00 -0.23 -0.33 0.00 2.56 0.00 0.00 35.95 37.95 1maa h PHE 307 CO 0.00 0.64 -0.66 -0.51 -2.02 0.00 0.00 178.31 175.76 1maa s LEU 308 N -9.77 4.31 0.20 0.59 1.43 -1.26 -4.51 118.68 109.68 1maa s LEU 308 Ca -0.13 -1.50 -0.11 0.00 -1.03 0.00 0.00 54.13 51.36 1maa s LEU 308 Cb 0.11 -1.75 0.14 0.00 0.03 0.00 0.00 46.19 44.72 1maa s LEU 308 CO 0.77 -0.34 1.85 0.77 0.23 0.00 0.00 176.35 179.63 1maa h SER 309 N 8.01 0.86 -1.87 2.29 4.64 -1.81 0.45 113.55 126.12 1maa h SER 309 Ca -0.18 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1maa h SER 309 Cb 1.06 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1maa h SER 309 CO 0.58 0.66 0.00 -0.67 -0.87 0.00 0.00 176.83 176.53 1maa n ASP 310 N -4.54 0.25 -4.82 4.97 -0.08 -1.26 -4.20 116.55 106.87 1maa n ASP 310 Ca 0.06 -0.87 -0.32 0.00 -1.51 0.00 0.00 54.79 52.15 1maa n ASP 310 Cb 0.05 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.50 1maa n ASP 310 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1maa s THR 311 N -1.73 4.17 0.47 5.18 -4.23 -1.26 -4.82 115.64 113.42 1maa s THR 311 Ca 0.00 1.00 0.13 0.00 -1.18 0.00 0.00 61.69 61.64 1maa s THR 311 Cb 0.00 -3.55 0.28 0.00 1.34 0.00 0.00 72.50 70.57 1maa s THR 311 CO 0.00 -0.64 2.09 -0.65 -0.54 0.00 0.00 174.62 174.88 1maa h PRO 312 N 0.54 0.26 0.09 3.99 0.11 -1.98 0.22 132.00 135.22 1maa h PRO 312 Ca -0.46 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1maa h PRO 312 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1maa h PRO 312 CO 0.59 0.17 -0.04 1.49 -0.21 0.00 0.00 178.00 180.00 1maa h GLU 313 N 0.27 -0.11 0.59 1.05 4.57 -1.91 0.10 114.58 119.14 1maa h GLU 313 Ca 0.11 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 1maa h GLU 313 Cb 0.10 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 1maa h GLU 313 CO -0.02 0.07 -0.49 0.00 -1.18 0.00 0.00 179.01 177.39 1maa h ALA 314 N 0.62 -1.15 -0.94 2.92 0.00 -1.64 -2.90 119.26 116.17 1maa h ALA 314 Ca -0.01 -0.20 0.16 0.00 0.00 0.00 0.00 54.91 54.86 1maa h ALA 314 Cb 0.24 0.66 -0.10 0.00 0.00 0.00 0.00 17.79 18.59 1maa h ALA 314 CO 0.02 -1.18 0.54 -0.07 0.00 0.00 0.00 179.25 178.57 1maa h LEU 315 N -1.05 0.71 -0.01 0.00 4.07 -0.45 -0.35 115.31 118.22 1maa h LEU 315 Ca -0.07 0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1maa h LEU 315 Cb 0.89 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.59 1maa h LEU 315 CO -0.00 0.29 0.00 2.30 -1.08 0.00 0.00 178.44 179.94 1maa n ILE 316 N -4.79 0.18 0.06 1.22 -5.35 0.33 -2.91 119.36 108.11 1maa n ILE 316 Ca 0.20 -0.01 0.09 0.00 -0.27 0.00 0.00 62.75 62.76 1maa n ILE 316 Cb 0.48 -0.57 -0.06 0.00 -1.74 0.00 0.00 39.64 37.76 1maa n ILE 316 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1maa n ASN 317 N -1.61 0.59 -3.21 7.28 4.13 -0.19 -4.59 115.26 117.66 1maa n ASN 317 Ca 0.06 0.23 -0.24 0.00 1.68 0.00 0.00 54.58 56.32 1maa n ASN 317 Cb 0.34 0.87 -0.07 0.00 -1.54 0.00 0.00 39.78 39.38 1maa n ASN 317 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1maa n THR 318 N -2.59 -0.30 -3.81 3.41 -2.24 -0.90 -5.07 114.28 102.78 1maa n THR 318 Ca -0.03 -4.21 -0.09 0.00 -2.27 0.00 0.00 64.05 57.45 1maa n THR 318 Cb 0.60 -1.78 -0.07 0.00 -2.10 0.00 0.00 70.33 66.98 1maa n THR 318 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1maa s GLY 319 N -1.47 0.01 -0.26 3.38 0.00 -1.20 -4.82 107.32 102.96 1maa s GLY 319 Ca 0.36 -0.45 -0.10 0.00 0.00 0.00 0.00 44.72 44.53 1maa s GLY 319 CO -0.10 -0.65 0.16 -0.35 0.00 0.00 0.00 173.10 172.16 1maa s ASP 320 N -2.74 5.96 -0.21 1.64 2.15 -1.26 -4.87 116.67 117.34 1maa s ASP 320 Ca 0.03 0.02 0.16 0.00 0.43 0.00 0.00 52.55 53.19 1maa s ASP 320 Cb 0.04 -2.09 0.46 0.00 -0.30 0.00 0.00 42.92 41.02 1maa s ASP 320 CO -0.10 0.00 1.17 0.49 -0.17 0.00 0.00 175.17 176.56 1maa n PHE 321 N 4.71 1.19 0.04 -5.34 3.72 -0.69 -4.85 117.46 116.24 1maa n PHE 321 Ca -0.15 -1.70 -0.06 0.00 -0.05 0.00 0.00 57.45 55.49 1maa n PHE 321 Cb 0.52 -0.25 0.12 0.00 -0.94 0.00 0.00 39.48 38.92 1maa n PHE 321 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1maa h GLN 322 N 1.78 0.43 -0.36 -1.08 7.50 -1.73 0.49 115.11 122.14 1maa h GLN 322 Ca 0.04 -0.25 0.00 0.00 0.50 0.00 0.00 58.65 58.94 1maa h GLN 322 Cb 1.41 0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.96 1maa h GLN 322 CO 0.30 0.83 0.00 -0.40 -1.50 0.00 0.00 178.83 178.06 1maa n ASP 323 N -3.97 0.89 -4.48 1.46 5.75 -1.26 -4.65 116.55 110.28 1maa n ASP 323 Ca -0.02 -2.04 -0.33 0.00 -0.01 0.00 0.00 54.79 52.39 1maa n ASP 323 Cb 0.56 -0.21 -0.13 0.00 -1.03 0.00 0.00 41.12 40.31 1maa n ASP 323 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1maa s LEU 324 N -0.81 2.77 -0.11 -2.12 1.43 -1.16 -4.96 118.68 113.71 1maa s LEU 324 Ca 0.07 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.03 1maa s LEU 324 Cb 0.04 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.70 1maa s LEU 324 CO 0.04 0.35 -0.23 -1.10 0.23 0.00 0.00 176.35 175.64 1maa s GLN 325 N -0.74 3.00 -0.01 1.70 1.11 -1.26 -1.12 119.66 122.34 1maa s GLN 325 Ca 0.12 -0.86 0.04 0.00 0.01 0.00 0.00 55.36 54.66 1maa s GLN 325 Cb -0.11 -2.30 -0.01 0.00 -1.01 0.00 0.00 33.01 29.58 1maa s GLN 325 CO 0.01 0.13 -0.12 0.08 0.01 0.00 0.00 175.29 175.40 1maa s VAL 326 N 0.46 0.92 -0.22 1.09 1.01 0.72 -2.68 120.40 121.70 1maa s VAL 326 Ca -0.16 -0.52 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 1maa s VAL 326 Cb -0.17 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.46 1maa s VAL 326 CO 0.06 0.24 -0.11 -0.22 0.00 0.00 0.00 175.10 175.08 1maa s LEU 327 N -0.32 2.83 0.07 3.92 0.20 -0.17 -0.22 118.68 124.99 1maa s LEU 327 Ca 0.04 -0.81 0.07 0.00 0.69 0.00 0.00 54.13 54.12 1maa s LEU 327 Cb -0.05 -1.60 -0.03 0.00 -0.43 0.00 0.00 46.19 44.09 1maa s LEU 327 CO -0.00 -0.08 -0.18 0.68 -0.29 0.00 0.00 176.35 176.47 1maa s VAL 328 N 1.30 1.47 0.15 1.68 -7.23 0.61 0.18 120.40 118.56 1maa s VAL 328 Ca 0.01 -1.28 -0.09 0.00 -1.81 0.00 0.00 61.98 58.81 1maa s VAL 328 Cb -0.16 -1.33 0.03 0.00 0.56 0.00 0.00 36.38 35.49 1maa s VAL 328 CO -0.07 0.01 0.47 0.61 -0.31 0.00 0.00 175.10 175.81 1maa n GLY 329 N 1.53 1.21 3.51 2.32 0.00 -0.91 -1.77 105.19 111.08 1maa n GLY 329 Ca -0.19 -1.09 -0.17 0.00 0.00 0.00 0.00 46.02 44.57 1maa n GLY 329 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1maa s VAL 330 N -2.42 0.00 0.31 1.61 0.11 -0.82 -0.90 120.40 118.29 1maa s VAL 330 Ca 0.10 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.08 1maa s VAL 330 Cb -0.02 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.77 1maa s VAL 330 CO 0.04 0.00 0.61 0.68 -3.33 0.00 0.00 175.10 173.10 1maa s VAL 331 N -1.49 4.94 0.49 2.04 -7.23 -1.26 0.84 120.40 118.73 1maa s VAL 331 Ca -0.09 0.27 0.24 0.00 -1.81 0.00 0.00 61.98 60.59 1maa s VAL 331 Cb -0.00 -3.71 0.42 0.00 0.56 0.00 0.00 36.38 33.64 1maa s VAL 331 CO 0.07 -0.33 1.92 0.50 -0.31 0.00 0.00 175.10 176.95 1maa h LYS 332 N 1.72 0.15 -2.09 4.82 3.64 -0.92 -3.27 116.57 120.61 1maa h LYS 332 Ca -0.47 -0.01 -0.56 0.00 -1.27 0.00 0.00 60.65 58.34 1maa h LYS 332 Cb 1.19 -0.03 -0.40 0.00 -0.41 0.00 0.00 32.23 32.57 1maa h LYS 332 CO 0.66 0.10 -0.91 -0.25 -2.27 0.00 0.00 179.45 176.78 1maa n ASP 333 N -4.39 1.93 0.26 4.20 9.92 -0.49 -4.90 116.55 123.08 1maa n ASP 333 Ca 0.16 -3.11 0.11 0.00 -0.53 0.00 0.00 54.79 51.41 1maa n ASP 333 Cb 0.73 -0.63 0.72 0.00 -0.64 0.00 0.00 41.12 41.30 1maa n ASP 333 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1maa h GLU 334 N 3.70 0.00 0.17 -1.24 4.39 -1.74 -3.26 114.58 116.61 1maa h GLU 334 Ca 0.12 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.58 1maa h GLU 334 Cb 0.78 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.46 1maa h GLU 334 CO 0.63 0.00 -1.03 0.78 -1.16 0.00 0.00 179.01 178.22 1maa h GLY 335 N 0.00 0.45 -0.06 -3.84 0.00 -1.85 -3.39 103.07 94.38 1maa h GLY 335 Ca 0.01 -1.12 0.01 0.00 0.00 0.00 0.00 47.33 46.23 1maa h GLY 335 CO -0.00 0.98 -0.04 -1.14 0.00 0.00 0.00 176.54 176.35 1maa n SER 336 N -3.99 -0.07 -0.19 0.19 3.41 -1.23 -1.60 113.62 110.14 1maa n SER 336 Ca -0.15 0.71 0.14 0.00 -0.26 0.00 0.00 58.87 59.31 1maa n SER 336 Cb 0.91 -0.31 0.27 0.00 -0.26 0.00 0.00 64.21 64.82 1maa n SER 336 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1maa n TYR 337 N -2.87 0.54 0.13 7.33 4.19 -1.26 0.06 117.16 125.29 1maa n TYR 337 Ca 0.00 0.70 0.01 0.00 3.31 0.00 0.00 57.90 61.92 1maa n TYR 337 Cb 0.02 -1.04 0.05 0.00 0.49 0.00 0.00 39.34 38.85 1maa n TYR 337 CO 0.00 0.00 0.00 0.74 0.91 0.00 0.00 176.86 178.51 1maa h PHE 338 N 0.00 0.00 -0.81 2.98 -1.00 -1.59 -3.28 116.94 113.25 1maa h PHE 338 Ca 0.43 0.00 0.02 0.00 2.81 0.00 0.00 57.97 61.23 1maa h PHE 338 Cb 1.05 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.56 1maa h PHE 338 CO -0.14 0.57 0.53 -0.07 -1.61 0.00 0.00 178.31 177.59 1maa h LEU 339 N 0.00 0.89 -2.24 1.54 3.38 -0.40 -0.97 115.31 117.50 1maa h LEU 339 Ca -0.01 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1maa h LEU 339 Cb 1.38 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1maa h LEU 339 CO 0.07 0.63 0.23 0.58 0.09 0.00 0.00 178.44 180.04 1maa h VAL 340 N 1.05 0.35 0.00 1.22 2.07 -1.63 -0.53 116.25 118.79 1maa h VAL 340 Ca 0.31 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.83 1maa h VAL 340 Cb -0.05 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1maa h VAL 340 CO -0.09 0.00 -0.81 1.88 0.02 0.00 0.00 177.57 178.57 1maa h TYR 341 N 0.00 0.00 0.00 1.57 -1.99 -1.34 -3.45 116.97 111.77 1maa h TYR 341 Ca 0.08 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.81 1maa h TYR 341 Cb 0.53 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.26 1maa h TYR 341 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 1maa n GLY 342 N 1.19 0.52 3.57 3.88 0.00 -0.78 -5.08 105.19 108.48 1maa n GLY 342 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1maa n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1maa s VAL 343 N 0.00 4.97 0.18 1.61 1.01 -0.27 -5.02 120.40 122.87 1maa s VAL 343 Ca 0.00 0.53 -0.33 0.00 0.00 0.00 0.00 61.98 62.18 1maa s VAL 343 Cb 0.00 -3.99 -0.13 0.00 0.00 0.00 0.00 36.38 32.25 1maa s VAL 343 CO 0.00 -0.21 1.62 -2.65 0.00 0.00 0.00 175.10 173.85 1maa n PRO 344 N 5.85 2.33 0.00 2.72 -0.02 -1.26 -2.70 135.00 141.92 1maa n PRO 344 Ca -0.03 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1maa n PRO 344 Cb 0.49 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1maa n PRO 344 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1maa n GLY 345 N 3.55 0.72 3.37 -1.23 0.00 -1.26 -4.91 105.19 105.43 1maa n GLY 345 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1maa n GLY 345 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1maa s PHE 346 N -2.00 2.82 0.02 1.61 0.40 -1.10 -4.50 117.98 115.23 1maa s PHE 346 Ca 0.00 -0.65 -0.12 0.00 -0.60 0.00 0.00 56.93 55.56 1maa s PHE 346 Cb 0.00 -1.86 0.01 0.00 0.51 0.00 0.00 43.02 41.69 1maa s PHE 346 CO 0.00 -0.22 0.25 0.45 0.70 0.00 0.00 175.22 176.39 1maa s SER 347 N 0.40 -0.07 0.42 1.36 0.15 -1.26 -4.58 113.70 110.12 1maa s SER 347 Ca -0.10 -0.18 0.23 0.00 0.70 0.00 0.00 55.95 56.60 1maa s SER 347 Cb -0.16 0.30 0.55 0.00 -1.71 0.00 0.00 66.02 65.00 1maa s SER 347 CO 0.05 -0.52 1.67 0.07 1.20 0.00 0.00 173.24 175.72 1maa h LYS 348 N 3.62 0.00 -0.03 5.44 2.10 -1.99 -3.34 116.57 122.36 1maa h LYS 348 Ca -0.31 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.14 1maa h LYS 348 Cb 1.19 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.53 1maa h LYS 348 CO 0.44 0.16 -0.74 -0.44 -2.00 0.00 0.00 179.45 176.87 1maa h ASP 349 N 0.00 0.71 -1.95 7.07 3.32 -2.00 -3.37 116.42 120.20 1maa h ASP 349 Ca -0.00 -0.72 0.00 0.00 0.02 0.00 0.00 57.03 56.33 1maa h ASP 349 Cb 0.97 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1maa h ASP 349 CO 0.02 1.33 0.00 -0.46 -1.72 0.00 0.00 179.24 178.41 1maa n ASN 350 N -4.08 0.24 -1.07 6.45 0.23 -1.25 -5.01 115.26 110.76 1maa n ASN 350 Ca -0.10 -0.04 0.12 0.00 -0.53 0.00 0.00 54.58 54.03 1maa n ASN 350 Cb 0.73 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.66 1maa n ASN 350 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1maa n GLU 351 N -0.03 2.41 -4.06 -3.83 1.02 -1.26 -4.89 120.64 110.00 1maa n GLU 351 Ca 0.00 -2.12 -0.42 0.00 -0.02 0.00 0.00 57.16 54.60 1maa n GLU 351 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 1maa n GLU 351 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1maa n SER 352 N 1.35 -3.40 -4.61 1.62 7.64 -1.26 -4.91 113.62 110.05 1maa n SER 352 Ca 0.19 -1.26 -0.41 0.00 1.01 0.00 0.00 58.87 58.41 1maa n SER 352 Cb 0.57 -1.92 -0.07 0.00 -1.01 0.00 0.00 64.21 61.79 1maa n SER 352 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1maa s LEU 353 N -7.32 4.10 0.37 -3.43 2.01 -1.26 -4.71 118.68 108.43 1maa s LEU 353 Ca 0.40 0.51 0.08 0.00 0.01 0.00 0.00 54.13 55.13 1maa s LEU 353 Cb -0.21 -2.76 -0.03 0.00 0.01 0.00 0.00 46.19 43.20 1maa s LEU 353 CO 0.96 -0.38 0.29 0.27 1.01 0.00 0.00 176.35 178.50 1maa s ILE 354 N 2.46 3.07 0.38 -0.59 -0.00 -1.24 -5.01 121.20 120.28 1maa s ILE 354 Ca 0.24 -1.44 -0.07 0.00 -0.00 0.00 0.00 60.65 59.37 1maa s ILE 354 Cb -0.15 -3.07 -0.05 0.00 -0.00 0.00 0.00 42.46 39.18 1maa s ILE 354 CO 0.10 -0.11 0.70 -0.94 -0.00 0.00 0.00 174.94 174.69 1maa s SER 355 N -4.01 6.44 0.51 4.36 1.04 -1.26 -4.11 113.70 116.67 1maa s SER 355 Ca 0.43 0.93 0.23 0.00 0.48 0.00 0.00 55.95 58.02 1maa s SER 355 Cb -0.04 -2.24 1.31 0.00 0.10 0.00 0.00 66.02 65.16 1maa s SER 355 CO 0.26 -0.37 1.98 -0.09 0.98 0.00 0.00 173.24 176.00 1maa h ARG 356 N 1.15 0.10 -0.83 4.02 2.43 -1.88 -0.26 114.38 119.11 1maa h ARG 356 Ca -0.47 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.67 1maa h ARG 356 Cb 1.19 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.68 1maa h ARG 356 CO 0.64 0.06 0.42 0.00 -1.51 0.00 0.00 179.97 179.59 1maa h ALA 357 N 1.72 1.06 -0.20 2.80 0.00 -1.98 0.68 119.26 123.33 1maa h ALA 357 Ca 0.27 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.84 1maa h ALA 357 Cb 0.95 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1maa h ALA 357 CO -0.03 0.60 -0.66 1.96 0.00 0.00 0.00 179.25 181.12 1maa h GLN 358 N 1.16 0.77 -0.41 0.00 4.20 -1.44 -0.45 115.11 118.94 1maa h GLN 358 Ca 0.29 -0.55 0.02 0.00 0.06 0.00 0.00 58.65 58.46 1maa h GLN 358 Cb 0.08 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 1maa h GLN 358 CO -0.04 1.17 0.24 0.35 -0.67 0.00 0.00 178.83 179.88 1maa h PHE 359 N 0.56 0.46 0.21 2.96 3.57 -0.86 0.21 116.94 124.05 1maa h PHE 359 Ca -0.02 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1maa h PHE 359 Cb 1.27 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1maa h PHE 359 CO 0.07 0.27 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.25 1maa h LEU 360 N 0.49 -0.24 -2.11 0.59 4.07 -0.71 -2.01 115.31 115.39 1maa h LEU 360 Ca 0.16 -0.08 -0.00 0.00 0.08 0.00 0.00 57.88 58.04 1maa h LEU 360 Cb 0.00 0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.81 1maa h LEU 360 CO -0.07 -0.07 -0.01 0.00 -1.08 0.00 0.00 178.44 177.21 1maa h ALA 361 N 0.37 1.01 0.00 1.53 0.00 -0.87 -2.53 119.26 118.77 1maa h ALA 361 Ca -0.03 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1maa h ALA 361 Cb 0.30 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1maa h ALA 361 CO 0.05 0.01 -0.85 0.78 0.00 0.00 0.00 179.25 179.24 1maa h GLY 362 N 1.16 0.00 1.84 0.00 0.00 -0.20 -3.19 103.07 102.68 1maa h GLY 362 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1maa h GLY 362 CO 0.00 0.00 -0.31 -2.08 0.00 0.00 0.00 176.54 174.15 1maa h VAL 363 N 0.00 1.26 0.00 4.60 2.07 -0.92 0.13 116.25 123.39 1maa h VAL 363 Ca -0.04 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1maa h VAL 363 Cb 1.58 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 1maa h VAL 363 CO 0.09 0.37 0.00 0.03 0.02 0.00 0.00 177.57 178.08 1maa h ARG 364 N 0.17 0.00 0.13 1.57 2.47 -1.60 0.16 114.38 117.28 1maa h ARG 364 Ca 0.02 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.46 1maa h ARG 364 Cb 0.65 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.97 1maa h ARG 364 CO 0.05 0.00 -1.43 0.82 0.56 0.00 0.00 179.97 179.97 1maa h ILE 365 N 0.00 1.06 -0.06 2.04 1.08 -1.31 -3.21 117.51 117.10 1maa h ILE 365 Ca 0.00 -2.44 -0.13 0.00 -0.39 0.00 0.00 64.86 61.91 1maa h ILE 365 Cb 0.69 2.77 -0.01 0.00 -3.07 0.00 0.00 36.82 37.19 1maa h ILE 365 CO 0.00 0.73 -0.54 1.23 -0.69 0.00 0.00 178.15 178.89 1maa h GLY 366 N 0.14 0.20 -6.16 5.37 0.00 -0.57 -3.06 103.07 98.98 1maa h GLY 366 Ca -0.30 -0.22 -0.59 0.00 0.00 0.00 0.00 47.33 46.22 1maa h GLY 366 CO 0.09 0.20 -0.80 -0.62 0.00 0.00 0.00 176.54 175.41 1maa n VAL 367 N -3.92 1.02 0.24 4.60 0.31 0.53 -4.83 118.33 116.29 1maa n VAL 367 Ca -0.02 -4.68 0.15 0.00 -0.01 0.00 0.00 64.34 59.79 1maa n VAL 367 Cb 0.56 -2.03 0.83 0.00 -0.91 0.00 0.00 33.84 32.29 1maa n VAL 367 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1maa h PRO 368 N 4.21 0.00 0.00 5.55 0.13 -1.67 -1.69 132.00 138.53 1maa h PRO 368 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1maa h PRO 368 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1maa h PRO 368 CO 0.67 0.00 -0.18 0.00 -0.23 0.00 0.00 178.00 178.26 1maa n GLN 369 N -3.95 0.04 -1.96 0.86 0.00 -1.26 -4.92 117.38 106.20 1maa n GLN 369 Ca -0.00 0.03 -0.34 0.00 0.00 0.00 0.00 57.00 56.68 1maa n GLN 369 Cb 0.21 -1.54 0.03 0.00 0.00 0.00 0.00 30.24 28.94 1maa n GLN 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1maa s ALA 370 N -3.02 2.55 0.30 2.61 0.00 -0.64 -5.02 121.76 118.54 1maa s ALA 370 Ca 0.12 0.69 0.04 0.00 0.00 0.00 0.00 51.96 52.81 1maa s ALA 370 Cb 0.18 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 1maa s ALA 370 CO 0.60 -1.08 0.44 -1.54 0.00 0.00 0.00 175.76 174.17 1maa s SER 371 N -2.19 6.21 0.38 0.00 1.04 -1.26 -4.86 113.70 113.00 1maa s SER 371 Ca 0.70 0.10 0.15 0.00 0.48 0.00 0.00 55.95 57.38 1maa s SER 371 Cb -0.23 -1.73 1.01 0.00 0.10 0.00 0.00 66.02 65.17 1maa s SER 371 CO 0.35 -0.23 1.79 0.44 0.98 0.00 0.00 173.24 176.57 1maa h ASP 372 N 0.98 0.52 -0.13 7.02 5.19 -1.97 0.34 116.42 128.37 1maa h ASP 372 Ca -0.50 0.08 -0.10 0.00 -0.62 0.00 0.00 57.03 55.89 1maa h ASP 372 Cb 1.24 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1maa h ASP 372 CO 0.59 0.15 -0.32 0.25 -3.12 0.00 0.00 179.24 176.78 1maa h LEU 373 N 0.49 0.51 -0.29 1.55 5.85 -1.98 -0.30 115.31 121.14 1maa h LEU 373 Ca 0.57 -0.58 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1maa h LEU 373 Cb 1.29 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 1maa h LEU 373 CO -0.30 1.00 0.11 0.00 -0.34 0.00 0.00 178.44 178.91 1maa h ALA 374 N 0.53 0.34 -0.07 1.25 0.00 -1.13 0.90 119.26 121.08 1maa h ALA 374 Ca -0.00 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1maa h ALA 374 Cb 0.93 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 1maa h ALA 374 CO 0.07 -0.28 -0.26 0.00 0.00 0.00 0.00 179.25 178.78 1maa h ALA 375 N 1.17 -0.30 -0.29 0.00 0.00 -0.42 0.15 119.26 119.58 1maa h ALA 375 Ca 0.13 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1maa h ALA 375 Cb 0.08 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1maa h ALA 375 CO -0.12 -0.74 0.21 1.49 0.00 0.00 0.00 179.25 180.09 1maa h GLU 376 N -0.36 0.00 -0.40 0.00 4.81 -0.34 0.40 114.58 118.69 1maa h GLU 376 Ca 0.08 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.21 1maa h GLU 376 Cb 0.48 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1maa h GLU 376 CO -0.28 0.00 -0.17 0.00 -0.73 0.00 0.00 179.01 177.83 1maa h ALA 377 N 1.86 0.57 -0.07 2.92 0.00 0.17 -0.52 119.26 124.19 1maa h ALA 377 Ca 0.14 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1maa h ALA 377 Cb 0.55 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1maa h ALA 377 CO -0.00 0.50 0.01 0.28 0.00 0.00 0.00 179.25 180.04 1maa h VAL 378 N 0.64 1.20 -0.28 0.00 2.07 0.12 -2.30 116.25 117.71 1maa h VAL 378 Ca 0.09 -0.61 0.04 0.00 0.82 0.00 0.00 66.70 67.04 1maa h VAL 378 Cb 0.72 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 1maa h VAL 378 CO 0.05 0.17 0.02 0.58 0.02 0.00 0.00 177.57 178.42 1maa h VAL 379 N -0.12 0.83 -0.70 2.57 2.07 -0.32 -1.50 116.25 119.08 1maa h VAL 379 Ca 0.02 -0.04 0.10 0.00 0.82 0.00 0.00 66.70 67.60 1maa h VAL 379 Cb 0.26 0.70 -0.08 0.00 -1.52 0.00 0.00 31.29 30.66 1maa h VAL 379 CO 0.00 0.02 0.33 0.25 0.02 0.00 0.00 177.57 178.19 1maa h LEU 380 N 0.11 0.39 -0.23 2.57 5.85 -1.00 -1.60 115.31 121.41 1maa h LEU 380 Ca 0.13 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1maa h LEU 380 Cb 0.16 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1maa h LEU 380 CO -0.20 0.21 0.07 -0.74 -0.34 0.00 0.00 178.44 177.44 1maa h HIS 381 N 0.54 0.38 -0.17 1.25 2.76 -0.74 -3.19 115.15 115.98 1maa h HIS 381 Ca 0.36 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.48 1maa h HIS 381 Cb 0.42 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.27 1maa h HIS 381 CO -0.13 0.45 0.00 0.66 -1.30 0.00 0.00 177.93 177.61 1maa n TYR 382 N -4.75 0.22 -3.79 5.26 4.01 -0.65 -4.89 117.16 112.57 1maa n TYR 382 Ca -0.03 -0.11 -0.33 0.00 -0.16 0.00 0.00 57.90 57.26 1maa n TYR 382 Cb 0.16 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.14 1maa n TYR 382 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1maa s THR 383 N -1.78 5.31 -0.45 -0.72 2.01 -0.62 -4.89 115.64 114.50 1maa s THR 383 Ca 0.23 0.02 -0.13 0.00 0.31 0.00 0.00 61.69 62.12 1maa s THR 383 Cb 0.12 -3.58 0.07 0.00 0.01 0.00 0.00 72.50 69.12 1maa s THR 383 CO 0.18 0.27 0.34 -0.62 -0.69 0.00 0.00 174.62 174.10 1maa s ASP 384 N -1.97 5.97 0.00 3.53 2.15 -1.26 -4.94 116.67 120.14 1maa s ASP 384 Ca 0.31 -1.36 0.15 0.00 0.43 0.00 0.00 52.55 52.07 1maa s ASP 384 Cb -0.13 -2.12 0.69 0.00 -0.30 0.00 0.00 42.92 41.07 1maa s ASP 384 CO 0.20 -0.60 1.45 0.79 -0.17 0.00 0.00 175.17 176.84 1maa n TRP 385 N 5.10 0.00 0.04 -5.34 7.02 -1.26 -0.42 117.44 122.58 1maa n TRP 385 Ca -0.12 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.30 1maa n TRP 385 Cb 0.44 -0.40 -0.12 0.00 -2.42 0.00 0.00 31.31 28.81 1maa n TRP 385 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1maa h LEU 386 N 0.00 0.00 -5.74 -0.99 6.46 -2.05 -3.38 115.31 109.61 1maa h LEU 386 Ca 0.00 0.00 -0.43 0.00 -0.12 0.00 0.00 57.88 57.33 1maa h LEU 386 Cb 0.20 0.00 -0.33 0.00 -0.73 0.00 0.00 40.66 39.80 1maa h LEU 386 CO 0.00 0.94 -0.99 1.41 -0.62 0.00 0.00 178.44 179.18 1maa n HIS 387 N -3.21 -0.72 0.33 1.25 8.25 -1.00 -4.97 115.22 115.15 1maa n HIS 387 Ca -0.06 -3.32 0.03 0.00 -0.26 0.00 0.00 57.72 54.11 1maa n HIS 387 Cb 0.96 0.13 0.16 0.00 1.12 0.00 0.00 29.99 32.36 1maa n HIS 387 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1maa n PRO 388 N 0.51 0.13 -0.00 -0.41 -0.04 0.44 -2.28 135.00 133.35 1maa n PRO 388 Ca 0.20 0.14 0.06 0.00 -0.04 0.00 0.00 63.50 63.85 1maa n PRO 388 Cb 0.65 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.52 1maa n PRO 388 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1maa n GLU 389 N -1.17 1.29 -1.59 0.54 -0.58 -1.26 -4.83 120.64 113.04 1maa n GLU 389 Ca 0.04 -0.07 -0.46 0.00 -0.42 0.00 0.00 57.16 56.24 1maa n GLU 389 Cb 0.04 -1.22 -0.05 0.00 -0.57 0.00 0.00 31.44 29.64 1maa n GLU 389 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1maa n ASP 390 N -1.71 3.13 0.16 1.62 2.03 -0.96 -4.67 116.55 116.14 1maa n ASP 390 Ca -0.01 0.54 0.05 0.00 0.52 0.00 0.00 54.79 55.90 1maa n ASP 390 Cb 0.28 -1.43 0.50 0.00 -0.72 0.00 0.00 41.12 39.75 1maa n ASP 390 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1maa h PRO 391 N 12.30 0.19 0.66 -0.67 0.13 -1.92 -0.32 132.00 142.36 1maa h PRO 391 Ca -0.41 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.67 1maa h PRO 391 Cb 1.27 -0.04 0.01 0.00 0.13 0.00 0.00 31.00 32.37 1maa h PRO 391 CO 0.97 0.22 -0.31 1.15 -0.23 0.00 0.00 178.00 179.79 1maa h THR 392 N 0.19 0.20 -0.88 1.56 2.02 -1.89 0.66 112.91 114.76 1maa h THR 392 Ca 0.05 -0.28 0.04 0.00 0.77 0.00 0.00 66.41 66.99 1maa h THR 392 Cb 0.15 0.26 -0.06 0.00 -1.74 0.00 0.00 68.15 66.76 1maa h THR 392 CO 0.00 0.02 0.56 -0.74 0.37 0.00 0.00 175.52 175.74 1maa h HIS 393 N -1.11 1.05 -0.70 3.16 -0.00 -1.90 -1.36 115.15 114.29 1maa h HIS 393 Ca -0.09 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.32 1maa h HIS 393 Cb 0.71 -0.35 -0.04 0.00 -0.00 0.00 0.00 27.41 27.74 1maa h HIS 393 CO 0.00 0.58 0.46 -0.07 -0.00 0.00 0.00 177.93 178.90 1maa h LEU 394 N 1.07 0.80 0.57 0.26 3.38 -0.96 0.11 115.31 120.53 1maa h LEU 394 Ca 0.36 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.29 1maa h LEU 394 Cb 0.07 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.63 1maa h LEU 394 CO -0.14 0.57 -0.27 -0.09 0.09 0.00 0.00 178.44 178.60 1maa h ARG 395 N 0.94 -0.73 -0.91 1.13 1.12 -0.32 -1.01 114.38 114.59 1maa h ARG 395 Ca 0.26 0.05 0.14 0.00 -1.11 0.00 0.00 59.98 59.32 1maa h ARG 395 Cb -0.09 0.17 -0.09 0.00 -0.01 0.00 0.00 29.97 29.94 1maa h ARG 395 CO -0.06 -0.44 0.52 -0.44 -3.11 0.00 0.00 179.97 176.44 1maa h ASP 396 N -0.88 0.70 -0.43 -3.80 5.19 -1.12 -1.75 116.42 114.33 1maa h ASP 396 Ca -0.08 0.08 -0.06 0.00 -0.62 0.00 0.00 57.03 56.35 1maa h ASP 396 Cb 0.63 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.07 1maa h ASP 396 CO 0.13 0.32 0.05 0.00 -3.12 0.00 0.00 179.24 176.62 1maa h ALA 397 N 1.55 0.58 -0.40 3.45 0.00 -0.64 -1.75 119.26 122.05 1maa h ALA 397 Ca 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1maa h ALA 397 Cb 0.62 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1maa h ALA 397 CO -0.32 0.32 0.21 1.98 0.00 0.00 0.00 179.25 181.43 1maa h MET 398 N 0.58 0.55 -0.39 0.00 1.85 -0.31 -0.40 114.93 116.81 1maa h MET 398 Ca 0.13 -0.05 -0.09 0.00 -0.61 0.00 0.00 59.70 59.07 1maa h MET 398 Cb 0.41 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 32.31 1maa h MET 398 CO 0.01 0.42 -0.12 1.03 -0.40 0.00 0.00 176.91 177.85 1maa h SER 399 N 0.56 0.78 -0.53 1.39 0.87 -1.10 -2.95 113.55 112.57 1maa h SER 399 Ca 0.14 -0.37 -0.07 0.00 -1.23 0.00 0.00 61.79 60.26 1maa h SER 399 Cb 0.04 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 1maa h SER 399 CO -0.02 0.97 0.08 0.00 -0.53 0.00 0.00 176.83 177.34 1maa h ALA 400 N 0.83 1.06 -0.09 6.23 0.00 -0.34 -0.66 119.26 126.29 1maa h ALA 400 Ca 0.10 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1maa h ALA 400 Cb 0.64 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1maa h ALA 400 CO 0.04 0.60 -0.14 0.28 0.00 0.00 0.00 179.25 180.04 1maa h VAL 401 N 0.88 0.63 -0.12 0.00 2.07 -1.03 0.44 116.25 119.12 1maa h VAL 401 Ca 0.18 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.60 1maa h VAL 401 Cb 0.40 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1maa h VAL 401 CO 0.01 0.00 -0.37 0.58 0.02 0.00 0.00 177.57 177.81 1maa h VAL 402 N -0.19 1.29 -0.00 2.57 2.07 -1.31 -0.06 116.25 120.62 1maa h VAL 402 Ca 0.08 -1.41 -0.16 0.00 0.82 0.00 0.00 66.70 66.03 1maa h VAL 402 Cb 0.30 1.61 0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1maa h VAL 402 CO -0.21 0.42 -0.62 1.23 0.02 0.00 0.00 177.57 178.41 1maa h GLY 403 N 1.15 0.47 0.74 2.17 0.00 -0.68 -2.50 103.07 104.42 1maa h GLY 403 Ca 0.02 -0.83 -0.04 0.00 0.00 0.00 0.00 47.33 46.48 1maa h GLY 403 CO 0.06 0.73 -0.07 -0.55 0.00 0.00 0.00 176.54 176.71 1maa h ASP 404 N -0.08 0.30 0.03 0.19 5.19 -0.08 0.17 116.42 122.15 1maa h ASP 404 Ca -0.08 -0.42 -0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1maa h ASP 404 Cb 1.33 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1maa h ASP 404 CO 0.12 0.65 -0.02 -0.74 -3.12 0.00 0.00 179.24 176.14 1maa h HIS 405 N -0.05 -0.04 0.00 4.55 2.76 -1.10 -0.89 115.15 120.37 1maa h HIS 405 Ca 0.03 -0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.06 1maa h HIS 405 Cb 0.54 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.49 1maa h HIS 405 CO 0.07 0.05 -1.05 -0.91 -1.30 0.00 0.00 177.93 174.78 1maa h ASN 406 N -0.12 0.00 0.00 3.26 2.35 -1.52 -3.41 115.58 116.14 1maa h ASN 406 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1maa h ASN 406 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1maa h ASN 406 CO 0.01 0.55 0.00 0.52 -1.65 0.00 0.00 177.43 176.86 1maa n VAL 407 N -3.03 0.33 -0.14 2.81 0.31 0.03 -4.77 118.33 113.87 1maa n VAL 407 Ca -0.05 0.11 -0.03 0.00 -0.01 0.00 0.00 64.34 64.36 1maa n VAL 407 Cb 0.80 -0.80 0.04 0.00 -0.91 0.00 0.00 33.84 32.98 1maa n VAL 407 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1maa h VAL 408 N 0.00 0.60 -0.13 2.52 2.07 -0.86 -0.79 116.25 119.66 1maa h VAL 408 Ca 0.00 -0.02 -0.09 0.00 0.82 0.00 0.00 66.70 67.41 1maa h VAL 408 Cb 0.00 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1maa h VAL 408 CO 0.00 0.01 -0.26 0.00 0.02 0.00 0.00 177.57 177.35 1maa h PRO 410 N -0.00 0.32 -0.08 0.00 0.11 -1.68 0.22 132.00 130.89 1maa h PRO 410 Ca 0.01 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 1maa h PRO 410 Cb 0.85 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 1maa h PRO 410 CO 0.06 0.21 -0.03 0.28 -0.21 0.00 0.00 178.00 178.31 1maa h VAL 411 N 0.33 1.31 -0.95 3.15 2.07 -1.02 -0.87 116.25 120.26 1maa h VAL 411 Ca 0.24 -0.99 0.04 0.00 0.82 0.00 0.00 66.70 66.81 1maa h VAL 411 Cb 0.50 1.80 -0.06 0.00 -1.52 0.00 0.00 31.29 32.01 1maa h VAL 411 CO -0.06 0.28 0.62 0.00 0.02 0.00 0.00 177.57 178.43 1maa h ALA 412 N 0.65 1.40 0.67 1.67 0.00 -0.24 0.32 119.26 123.73 1maa h ALA 412 Ca 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1maa h ALA 412 Cb 0.45 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1maa h ALA 412 CO 0.01 0.49 -0.32 0.37 0.00 0.00 0.00 179.25 179.80 1maa h GLN 413 N 1.18 -0.87 -0.97 0.00 5.75 -0.47 -0.69 115.11 119.05 1maa h GLN 413 Ca 0.39 0.06 0.06 0.00 -0.15 0.00 0.00 58.65 59.00 1maa h GLN 413 Cb 0.05 0.20 -0.06 0.00 1.07 0.00 0.00 27.48 28.74 1maa h GLN 413 CO -0.13 -0.57 0.62 1.25 -2.65 0.00 0.00 178.83 177.35 1maa h LEU 414 N -0.90 1.01 -0.40 -2.39 5.85 -0.68 -0.18 115.31 117.61 1maa h LEU 414 Ca -0.09 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1maa h LEU 414 Cb 0.69 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1maa h LEU 414 CO 0.15 0.66 0.21 0.00 -0.34 0.00 0.00 178.44 179.12 1maa h ALA 415 N 1.43 0.51 -0.05 1.25 0.00 -0.12 -0.58 119.26 121.69 1maa h ALA 415 Ca 0.41 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1maa h ALA 415 Cb 0.12 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1maa h ALA 415 CO -0.16 0.04 0.02 0.78 0.00 0.00 0.00 179.25 179.93 1maa h GLY 416 N 0.51 0.08 0.98 0.00 0.00 -0.37 -0.81 103.07 103.46 1maa h GLY 416 Ca 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 1maa h GLY 416 CO -0.02 0.04 0.27 3.21 0.00 0.00 0.00 176.54 180.04 1maa h ARG 417 N -0.08 0.76 -0.08 4.80 2.47 -0.98 0.19 114.38 121.46 1maa h ARG 417 Ca 0.02 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 1maa h ARG 417 Cb 0.16 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.34 1maa h ARG 417 CO -0.00 0.61 0.03 -0.07 0.56 0.00 0.00 179.97 181.10 1maa h LEU 418 N 0.72 0.11 -0.46 3.04 4.07 -1.05 -1.15 115.31 120.58 1maa h LEU 418 Ca 0.19 -0.18 0.02 0.00 0.08 0.00 0.00 57.88 57.99 1maa h LEU 418 Cb 0.09 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 41.77 1maa h LEU 418 CO -0.03 0.26 0.28 0.00 -1.08 0.00 0.00 178.44 177.87 1maa h ALA 419 N 0.86 0.59 -0.94 1.53 0.00 -0.95 -1.87 119.26 118.48 1maa h ALA 419 Ca 0.03 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1maa h ALA 419 Cb 0.18 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1maa h ALA 419 CO -0.00 -0.02 0.62 0.00 0.00 0.00 0.00 179.25 179.85 1maa h ALA 420 N 1.20 1.34 -0.88 0.00 0.00 -0.45 -3.07 119.26 117.40 1maa h ALA 420 Ca 0.18 -0.06 -0.62 0.00 0.00 0.00 0.00 54.91 54.42 1maa h ALA 420 Cb 0.00 -0.37 -0.25 0.00 0.00 0.00 0.00 17.79 17.16 1maa h ALA 420 CO -0.08 0.60 0.79 1.04 0.00 0.00 0.00 179.25 181.61 1maa n GLN 421 N -4.40 2.52 0.00 0.00 6.02 -0.45 -4.90 117.38 116.17 1maa n GLN 421 Ca 0.11 -2.95 0.00 0.00 -0.01 0.00 0.00 57.00 54.15 1maa n GLN 421 Cb 0.03 -2.15 0.00 0.00 1.02 0.00 0.00 30.24 29.14 1maa n GLN 421 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1maa n GLY 422 N -0.55 2.96 3.72 1.08 0.00 -1.16 -1.70 105.19 109.54 1maa n GLY 422 Ca 0.55 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.23 1maa n GLY 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1maa s ALA 423 N -2.33 2.03 -0.40 4.61 0.00 0.15 -4.19 121.76 121.62 1maa s ALA 423 Ca 0.00 0.79 -0.11 0.00 0.00 0.00 0.00 51.96 52.64 1maa s ALA 423 Cb 0.00 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.72 1maa s ALA 423 CO 0.00 -2.01 0.26 0.50 0.00 0.00 0.00 175.76 174.51 1maa s ARG 424 N -4.09 2.78 0.00 0.00 3.00 -0.27 -4.39 118.95 115.98 1maa s ARG 424 Ca 0.72 -1.24 0.01 0.00 -1.00 0.00 0.00 55.73 54.23 1maa s ARG 424 Cb -0.27 -3.82 -0.04 0.00 0.00 0.00 0.00 34.95 30.82 1maa s ARG 424 CO 0.48 -0.83 0.03 0.08 0.00 0.00 0.00 175.30 175.05 1maa s VAL 425 N 1.53 4.34 -0.07 7.11 1.01 -1.26 -0.20 120.40 132.86 1maa s VAL 425 Ca 0.03 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.48 1maa s VAL 425 Cb -0.21 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 33.22 1maa s VAL 425 CO 0.05 0.35 -0.16 -0.31 0.00 0.00 0.00 175.10 175.04 1maa s TYR 426 N -1.13 1.76 0.11 5.22 2.02 0.70 -0.83 117.35 125.20 1maa s TYR 426 Ca 0.21 -0.67 0.08 0.00 -0.37 0.00 0.00 57.07 56.31 1maa s TYR 426 Cb -0.12 -1.24 -0.04 0.00 -0.40 0.00 0.00 41.96 40.16 1maa s TYR 426 CO 0.12 -0.31 -0.19 0.00 -1.57 0.00 0.00 175.55 173.60 1maa s ALA 427 N 0.55 1.72 0.21 3.71 0.00 -1.25 -0.28 121.76 126.42 1maa s ALA 427 Ca -0.15 -1.26 -0.10 0.00 0.00 0.00 0.00 51.96 50.45 1maa s ALA 427 Cb -0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 1maa s ALA 427 CO 0.05 0.29 0.37 1.52 0.00 0.00 0.00 175.76 178.00 1maa s TYR 428 N -1.41 0.45 -0.08 0.00 -0.85 -0.73 -1.39 117.35 113.34 1maa s TYR 428 Ca 0.07 -0.79 -0.02 0.00 -0.52 0.00 0.00 57.07 55.81 1maa s TYR 428 Cb -0.09 0.03 0.03 0.00 0.38 0.00 0.00 41.96 42.31 1maa s TYR 428 CO 0.04 -0.86 0.03 -1.50 -1.52 0.00 0.00 175.55 171.75 1maa s ILE 429 N -4.01 0.16 -0.32 -3.49 2.07 0.21 -1.95 121.20 113.88 1maa s ILE 429 Ca 0.22 0.16 -0.26 0.00 -1.41 0.00 0.00 60.65 59.36 1maa s ILE 429 Cb 0.02 -0.43 0.01 0.00 0.13 0.00 0.00 42.46 42.18 1maa s ILE 429 CO 0.06 0.15 0.94 0.12 -1.91 0.00 0.00 174.94 174.29 1maa s PHE 430 N 2.05 3.17 -0.93 3.50 5.36 0.25 -1.07 117.98 130.31 1maa s PHE 430 Ca 0.04 0.99 0.08 0.00 -0.96 0.00 0.00 56.93 57.08 1maa s PHE 430 Cb -0.13 -3.48 0.07 0.00 -0.34 0.00 0.00 43.02 39.13 1maa s PHE 430 CO -0.05 -0.69 0.76 0.39 -1.46 0.00 0.00 175.22 174.17 1maa n GLU 431 N 6.57 0.17 -3.19 10.12 1.02 0.75 -0.47 120.64 135.61 1maa n GLU 431 Ca 0.08 -0.99 -0.39 0.00 -0.02 0.00 0.00 57.16 55.84 1maa n GLU 431 Cb 0.48 -1.15 -0.06 0.00 -0.02 0.00 0.00 31.44 30.69 1maa n GLU 431 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1maa s HIS 432 N -0.64 3.80 -0.28 -0.32 2.46 -1.23 -4.94 115.29 114.13 1maa s HIS 432 Ca 0.09 1.33 -0.11 0.00 0.47 0.00 0.00 55.06 56.85 1maa s HIS 432 Cb 0.06 -2.59 -0.04 0.00 -0.13 0.00 0.00 32.58 29.88 1maa s HIS 432 CO 0.09 0.51 0.18 0.50 -2.47 0.00 0.00 174.74 173.55 1maa s ARG 433 N -0.87 3.86 0.03 2.88 3.52 -1.26 -4.87 118.95 122.24 1maa s ARG 433 Ca 0.31 -0.38 -0.34 0.00 -0.13 0.00 0.00 55.73 55.19 1maa s ARG 433 Cb -0.20 -3.63 -0.13 0.00 -1.56 0.00 0.00 34.95 29.44 1maa s ARG 433 CO 0.20 -0.21 1.74 0.00 -0.81 0.00 0.00 175.30 176.22 1maa n ALA 434 N 5.04 1.09 -0.03 6.12 0.00 -1.26 -4.83 120.51 126.65 1maa n ALA 434 Ca -0.14 0.36 0.15 0.00 0.00 0.00 0.00 53.44 53.81 1maa n ALA 434 Cb 0.52 -2.43 0.58 0.00 0.00 0.00 0.00 19.45 18.12 1maa n ALA 434 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1maa h SER 435 N 7.65 0.20 -0.16 0.00 4.64 -1.96 0.64 113.55 124.55 1maa h SER 435 Ca -0.47 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1maa h SER 435 Cb 1.26 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1maa h SER 435 CO 0.92 0.12 0.00 0.35 -0.87 0.00 0.00 176.83 177.34 1maa n THR 436 N -4.44 0.22 -2.10 2.95 -2.24 -1.26 -4.93 114.28 102.47 1maa n THR 436 Ca 0.09 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 1maa n THR 436 Cb 0.45 0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 1maa n THR 436 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1maa s LEU 437 N -1.12 4.36 0.00 3.22 2.96 0.21 -4.93 118.68 123.39 1maa s LEU 437 Ca 0.16 2.39 0.26 0.00 -0.22 0.00 0.00 54.13 56.72 1maa s LEU 437 Cb 0.08 -3.58 0.73 0.00 0.50 0.00 0.00 46.19 43.92 1maa s LEU 437 CO 0.12 -0.72 1.55 0.35 -1.32 0.00 0.00 176.35 176.33 1maa n THR 438 N 4.09 0.00 -3.37 3.68 -2.24 -1.26 -4.92 114.28 110.26 1maa n THR 438 Ca 0.13 -0.24 -0.33 0.00 -2.27 0.00 0.00 64.05 61.33 1maa n THR 438 Cb 0.41 0.67 -0.06 0.00 -2.10 0.00 0.00 70.33 69.26 1maa n THR 438 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1maa s TRP 439 N -2.23 3.50 0.44 4.78 0.52 -1.26 -4.85 118.94 119.84 1maa s TRP 439 Ca 0.30 0.98 -0.22 0.00 0.02 0.00 0.00 56.10 57.18 1maa s TRP 439 Cb 0.20 -2.33 -0.12 0.00 -1.15 0.00 0.00 33.47 30.07 1maa s TRP 439 CO 0.42 0.32 0.57 -0.35 0.02 0.00 0.00 176.95 177.93 1maa n PRO 440 N 0.25 0.61 0.33 4.98 -0.04 -1.26 -4.83 135.00 135.04 1maa n PRO 440 Ca -0.02 0.22 0.21 0.00 -0.04 0.00 0.00 63.50 63.88 1maa n PRO 440 Cb 0.52 -1.57 1.16 0.00 -0.04 0.00 0.00 33.50 33.58 1maa n PRO 440 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1maa h LEU 441 N 0.76 0.00 -1.08 1.53 5.85 -1.93 -2.20 115.31 118.24 1maa h LEU 441 Ca -0.41 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.22 1maa h LEU 441 Cb 1.40 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 1maa h LEU 441 CO 0.51 0.00 -0.43 4.11 -0.34 0.00 0.00 178.44 182.29 1maa h TRP 442 N 0.00 0.00 0.00 1.25 5.08 -1.93 -2.76 115.95 117.59 1maa h TRP 442 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1maa h TRP 442 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 1maa h TRP 442 CO 0.00 0.43 0.00 -1.33 -1.28 0.00 0.00 178.44 176.26 1maa n MET 443 N -3.86 0.26 0.00 0.12 2.81 -0.82 -4.97 117.12 110.66 1maa n MET 443 Ca -0.01 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 1maa n MET 443 Cb 0.48 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 1maa n MET 443 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1maa n GLY 444 N 0.36 3.55 3.28 3.03 0.00 -1.05 -3.58 105.19 110.79 1maa n GLY 444 Ca 0.09 0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 1maa n GLY 444 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1maa s VAL 445 N 0.00 5.25 1.10 1.61 1.01 -1.26 -4.93 120.40 123.18 1maa s VAL 445 Ca 0.00 -2.58 -0.18 0.00 0.00 0.00 0.00 61.98 59.22 1maa s VAL 445 Cb 0.00 -4.27 0.25 0.00 0.00 0.00 0.00 36.38 32.36 1maa s VAL 445 CO 0.00 -1.00 1.19 -2.16 0.00 0.00 0.00 175.10 173.13 1maa s PRO 446 N 0.10 -0.39 -0.24 2.72 0.04 -1.23 -1.40 135.00 134.60 1maa s PRO 446 Ca 0.18 -0.18 -0.30 0.00 0.04 0.00 0.00 61.00 60.74 1maa s PRO 446 Cb -0.12 -1.70 -0.07 0.00 0.04 0.00 0.00 34.50 32.65 1maa s PRO 446 CO -0.08 -3.14 2.20 1.58 0.04 0.00 0.00 177.00 177.60 1maa n HIS 447 N -4.33 1.90 0.00 0.56 -0.00 -1.26 -2.42 115.22 109.67 1maa n HIS 447 Ca 0.14 -0.03 0.00 0.00 -0.00 0.00 0.00 57.72 57.83 1maa n HIS 447 Cb 0.59 -2.68 0.00 0.00 -0.00 0.00 0.00 29.99 27.90 1maa n HIS 447 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1maa n GLY 448 N 5.89 1.05 1.67 1.57 0.00 -1.26 -4.98 105.19 109.12 1maa n GLY 448 Ca 0.32 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.22 1maa n GLY 448 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1maa n TYR 449 N -1.24 1.32 -0.00 1.61 4.01 -1.02 -2.65 117.16 119.18 1maa n TYR 449 Ca 0.00 -1.43 -0.00 0.00 -0.16 0.00 0.00 57.90 56.31 1maa n TYR 449 Cb 0.00 -0.71 -0.01 0.00 -0.31 0.00 0.00 39.34 38.32 1maa n TYR 449 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 1maa n GLU 450 N 0.12 3.68 -0.14 -0.72 0.00 -1.26 -4.74 120.64 117.59 1maa n GLU 450 Ca 0.26 -0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.34 1maa n GLU 450 Cb 0.80 -1.02 -0.02 0.00 0.00 0.00 0.00 31.44 31.20 1maa n GLU 450 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1maa h ILE 451 N 0.00 0.17 -0.10 3.84 2.04 -1.90 0.14 117.51 121.70 1maa h ILE 451 Ca -0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.87 1maa h ILE 451 Cb 0.99 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1maa h ILE 451 CO 0.00 0.00 0.30 1.05 0.00 0.00 0.00 178.15 179.50 1maa h GLU 452 N -0.26 0.00 0.17 2.37 4.11 -1.80 0.22 114.58 119.39 1maa h GLU 452 Ca 0.17 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.25 1maa h GLU 452 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1maa h GLU 452 CO -0.58 0.00 -1.81 0.74 0.07 0.00 0.00 179.01 177.43 1maa h PHE 453 N 0.00 0.67 -0.41 2.06 -1.00 -1.06 -1.95 116.94 115.25 1maa h PHE 453 Ca 0.05 -0.49 -0.01 0.00 2.81 0.00 0.00 57.97 60.33 1maa h PHE 453 Cb 0.65 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 40.16 1maa h PHE 453 CO 0.00 1.71 0.22 0.82 -1.61 0.00 0.00 178.31 179.45 1maa h ILE 454 N 0.10 1.15 0.00 -0.55 1.08 -0.59 -1.74 117.51 116.96 1maa h ILE 454 Ca -0.36 -0.40 0.00 0.00 -0.39 0.00 0.00 64.86 63.70 1maa h ILE 454 Cb 2.08 0.67 0.00 0.00 -3.07 0.00 0.00 36.82 36.50 1maa h ILE 454 CO 0.16 0.16 0.00 0.49 -0.69 0.00 0.00 178.15 178.27 1maa n PHE 455 N -4.72 0.00 -0.92 1.37 3.01 -0.14 -4.52 117.46 111.54 1maa n PHE 455 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1maa n PHE 455 Cb 0.08 -0.40 0.00 0.00 -0.01 0.00 0.00 39.48 39.15 1maa n PHE 455 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1maa n GLY 456 N 0.21 0.48 0.38 1.37 0.00 -0.65 -3.96 105.19 103.01 1maa n GLY 456 Ca 0.06 -0.56 0.16 0.00 0.00 0.00 0.00 46.02 45.68 1maa n GLY 456 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1maa h LEU 457 N 0.00 0.62 -0.18 0.99 4.07 -1.58 -1.03 115.31 118.19 1maa h LEU 457 Ca 0.00 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1maa h LEU 457 Cb 0.00 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.71 1maa h LEU 457 CO 0.00 0.22 0.06 -2.65 -1.08 0.00 0.00 178.44 174.98 1maa n PRO 458 N -4.66 0.02 0.19 1.13 -0.02 -1.26 -1.16 135.00 129.24 1maa n PRO 458 Ca 0.22 0.47 0.13 0.00 -2.02 0.00 0.00 63.50 62.31 1maa n PRO 458 Cb 0.66 -1.61 0.34 0.00 -0.02 0.00 0.00 33.50 32.86 1maa n PRO 458 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1maa h LEU 459 N 0.00 0.00 -8.66 2.45 3.38 -1.50 -3.42 115.31 107.56 1maa h LEU 459 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 1maa h LEU 459 Cb 0.11 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.76 1maa h LEU 459 CO 0.00 0.00 0.66 -0.62 0.09 0.00 0.00 178.44 178.57 1maa s ASP 460 N -5.49 6.51 0.60 -0.43 2.15 -0.31 -4.79 116.67 114.91 1maa s ASP 460 Ca 0.07 0.15 0.35 0.00 0.43 0.00 0.00 52.55 53.54 1maa s ASP 460 Cb 0.08 -2.47 1.95 0.00 -0.30 0.00 0.00 42.92 42.18 1maa s ASP 460 CO 0.61 -1.12 2.25 1.55 -0.17 0.00 0.00 175.17 178.29 1maa h PRO 461 N 9.15 0.00 -0.19 4.34 0.13 -1.87 -0.98 132.00 142.58 1maa h PRO 461 Ca -0.24 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.87 1maa h PRO 461 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1maa h PRO 461 CO 1.06 0.02 0.03 1.03 -0.23 0.00 0.00 178.00 179.91 1maa h SER 462 N 0.00 0.24 -3.67 1.44 0.87 -1.95 -3.41 113.55 107.07 1maa h SER 462 Ca -0.00 -0.02 -0.50 0.00 -1.23 0.00 0.00 61.79 60.03 1maa h SER 462 Cb 0.09 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 1maa h SER 462 CO 0.00 0.26 0.17 -0.76 -0.53 0.00 0.00 176.83 175.97 1maa s LEU 463 N -9.08 4.31 -0.09 2.23 1.43 -0.37 -4.98 118.68 112.13 1maa s LEU 463 Ca -0.06 1.51 -0.00 0.00 -1.03 0.00 0.00 54.13 54.55 1maa s LEU 463 Cb 0.16 -3.75 0.08 0.00 0.03 0.00 0.00 46.19 42.71 1maa s LEU 463 CO 0.71 -0.02 1.81 0.59 0.23 0.00 0.00 176.35 179.67 1maa n ASN 464 N 0.56 5.12 -4.70 2.29 5.03 -1.26 -4.91 115.26 117.38 1maa n ASN 464 Ca -0.01 -2.53 -0.29 0.00 0.87 0.00 0.00 54.58 52.62 1maa n ASN 464 Cb 0.51 -0.98 0.13 0.00 -1.02 0.00 0.00 39.78 38.42 1maa n ASN 464 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1maa s TYR 465 N -0.56 2.49 0.64 3.10 2.02 -1.26 -4.79 117.35 118.99 1maa s TYR 465 Ca 0.10 0.72 -0.01 0.00 -0.37 0.00 0.00 57.07 57.51 1maa s TYR 465 Cb 0.08 -3.54 0.07 0.00 -0.40 0.00 0.00 41.96 38.17 1maa s TYR 465 CO 0.00 -2.22 0.89 0.95 -1.57 0.00 0.00 175.55 173.60 1maa s THR 466 N -3.47 2.42 0.12 -0.71 -4.23 -1.26 -4.97 115.64 103.54 1maa s THR 466 Ca 0.65 -0.57 -0.14 0.00 -1.18 0.00 0.00 61.69 60.46 1maa s THR 466 Cb -0.12 -2.85 -0.03 0.00 1.34 0.00 0.00 72.50 70.84 1maa s THR 466 CO 0.52 0.00 1.52 0.74 -0.54 0.00 0.00 174.62 176.86 1maa h THR 467 N -0.26 1.28 -0.74 3.99 2.02 -1.97 -2.33 112.91 114.90 1maa h THR 467 Ca -0.41 -1.23 0.01 0.00 0.77 0.00 0.00 66.41 65.56 1maa h THR 467 Cb 1.29 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 68.92 1maa h THR 467 CO 0.49 0.41 0.48 -0.33 0.37 0.00 0.00 175.52 176.95 1maa h GLU 468 N 0.58 0.95 -0.12 6.66 5.08 -1.99 -1.94 114.58 123.80 1maa h GLU 468 Ca 0.10 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1maa h GLU 468 Cb 0.65 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1maa h GLU 468 CO 0.04 0.63 -0.03 0.93 -1.00 0.00 0.00 179.01 179.59 1maa h GLU 469 N 0.98 0.17 -0.07 2.33 5.08 -1.90 0.93 114.58 122.10 1maa h GLU 469 Ca 0.28 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.54 1maa h GLU 469 Cb -0.09 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1maa h GLU 469 CO -0.07 0.22 -0.23 -0.09 -1.00 0.00 0.00 179.01 177.84 1maa h ARG 470 N 0.17 0.28 -0.44 2.33 2.43 -0.83 -0.86 114.38 117.46 1maa h ARG 470 Ca 0.04 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 58.98 1maa h ARG 470 Cb 0.17 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1maa h ARG 470 CO 0.01 0.83 0.19 0.82 -1.51 0.00 0.00 179.97 180.31 1maa h ILE 471 N -0.23 1.16 0.29 1.20 2.04 -0.98 -2.05 117.51 118.94 1maa h ILE 471 Ca -0.01 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 1maa h ILE 471 Cb 0.86 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1maa h ILE 471 CO 0.05 0.19 -0.14 0.15 0.00 0.00 0.00 178.15 178.40 1maa h PHE 472 N 0.62 -0.36 -0.90 1.37 3.57 -0.78 -2.49 116.94 117.96 1maa h PHE 472 Ca 0.15 -0.01 0.21 0.00 3.53 0.00 0.00 57.97 61.86 1maa h PHE 472 Cb 0.10 0.12 -0.12 0.00 2.79 0.00 0.00 35.95 38.84 1maa h PHE 472 CO 0.01 -0.03 0.41 0.00 -2.23 0.00 0.00 178.31 176.47 1maa h ALA 473 N -0.19 1.44 0.03 2.41 0.00 -0.76 -0.48 119.26 121.70 1maa h ALA 473 Ca -0.04 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1maa h ALA 473 Cb 0.50 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1maa h ALA 473 CO 0.07 -0.30 -0.01 1.96 0.00 0.00 0.00 179.25 180.96 1maa h GLN 474 N 0.44 -0.03 -0.78 0.00 4.20 -1.32 -0.33 115.11 117.29 1maa h GLN 474 Ca 0.55 0.00 0.11 0.00 0.06 0.00 0.00 58.65 59.37 1maa h GLN 474 Cb 1.02 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.73 1maa h GLN 474 CO -0.50 0.05 0.40 -0.09 -0.67 0.00 0.00 178.83 178.02 1maa h ARG 475 N -0.11 0.63 -0.40 1.46 2.43 -0.66 0.45 114.38 118.18 1maa h ARG 475 Ca -0.00 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 58.97 1maa h ARG 475 Cb 0.10 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1maa h ARG 475 CO 0.01 0.42 -0.36 -0.07 -1.51 0.00 0.00 179.97 178.45 1maa h LEU 476 N 0.65 0.99 -1.20 3.80 3.38 -0.86 -0.74 115.31 121.33 1maa h LEU 476 Ca 0.39 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1maa h LEU 476 Cb 0.44 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1maa h LEU 476 CO -0.29 1.24 -0.02 0.24 0.09 0.00 0.00 178.44 179.70 1maa h MET 477 N 0.77 0.52 -0.13 1.13 2.86 -0.32 -0.22 114.93 119.55 1maa h MET 477 Ca 0.07 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1maa h MET 477 Cb 0.95 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.53 1maa h MET 477 CO 0.09 0.56 0.02 -0.22 1.06 0.00 0.00 176.91 178.43 1maa h LYS 478 N 0.50 0.21 0.31 1.72 1.63 -0.56 -0.79 116.57 119.59 1maa h LYS 478 Ca 0.10 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1maa h LYS 478 Cb 0.36 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.93 1maa h LYS 478 CO 0.01 0.39 -0.48 1.88 -3.45 0.00 0.00 179.45 177.80 1maa h TYR 479 N -0.01 -1.36 0.02 1.91 0.05 -0.37 0.12 116.97 117.33 1maa h TYR 479 Ca 0.04 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.87 1maa h TYR 479 Cb 0.28 0.55 -0.04 0.00 1.01 0.00 0.00 36.73 38.53 1maa h TYR 479 CO 0.01 -0.60 -0.28 -1.49 -1.05 0.00 0.00 178.16 174.76 1maa h TRP 480 N -0.83 -0.74 -0.58 4.88 -0.00 -1.06 -1.27 115.95 116.35 1maa h TRP 480 Ca -0.04 0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 58.85 1maa h TRP 480 Cb 0.77 0.33 -0.03 0.00 -0.00 0.00 0.00 29.16 30.23 1maa h TRP 480 CO -0.33 -0.37 0.27 1.79 -0.00 0.00 0.00 178.44 179.79 1maa h THR 481 N -0.43 1.21 -0.99 1.49 1.35 -1.06 0.23 112.91 114.71 1maa h THR 481 Ca 0.06 -0.62 0.09 0.00 -0.55 0.00 0.00 66.41 65.38 1maa h THR 481 Cb 0.51 0.55 -0.07 0.00 -1.73 0.00 0.00 68.15 67.40 1maa h THR 481 CO -0.22 0.25 0.63 0.78 -0.25 0.00 0.00 175.52 176.71 1maa h ASN 482 N 0.79 0.97 0.12 5.36 2.35 -0.57 0.35 115.58 124.95 1maa h ASN 482 Ca 0.20 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 1maa h ASN 482 Cb 0.14 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1maa h ASN 482 CO -0.02 0.58 -0.06 0.15 -1.65 0.00 0.00 177.43 176.43 1maa h PHE 483 N 1.07 -0.15 -0.04 1.19 3.57 -0.56 0.17 116.94 122.19 1maa h PHE 483 Ca 0.45 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.96 1maa h PHE 483 Cb 0.31 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 1maa h PHE 483 CO -0.00 0.28 0.13 0.00 -2.23 0.00 0.00 178.31 176.49 1maa h ALA 484 N 0.14 1.32 0.01 2.41 0.00 0.41 1.19 119.26 124.74 1maa h ALA 484 Ca -0.02 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 1maa h ALA 484 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1maa h ALA 484 CO 0.03 -0.16 -1.54 -2.13 0.00 0.00 0.00 179.25 175.45 1maa n ARG 485 N -3.26 0.59 -0.00 0.00 0.63 0.11 -4.73 116.66 110.00 1maa n ARG 485 Ca -0.02 0.50 0.01 0.00 -0.92 0.00 0.00 57.85 57.42 1maa n ARG 485 Cb 0.21 -1.70 0.01 0.00 0.45 0.00 0.00 32.46 31.42 1maa n ARG 485 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1maa n THR 486 N -4.30 0.00 -1.01 5.15 -2.24 0.58 -4.99 114.28 107.48 1maa n THR 486 Ca -0.36 -0.50 -0.00 0.00 -2.27 0.00 0.00 64.05 60.92 1maa n THR 486 Cb 0.75 1.03 -0.00 0.00 -2.10 0.00 0.00 70.33 70.01 1maa n THR 486 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1maa n GLY 487 N 0.08 0.46 3.03 3.38 0.00 0.41 -4.98 105.19 107.57 1maa n GLY 487 Ca 0.01 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 1maa n GLY 487 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1maa s ASP 488 N -2.10 0.30 0.02 1.61 -1.08 -1.25 -4.91 116.67 109.26 1maa s ASP 488 Ca 0.00 0.61 0.14 0.00 -0.52 0.00 0.00 52.55 52.77 1maa s ASP 488 Cb 0.00 0.80 0.59 0.00 -1.46 0.00 0.00 42.92 42.84 1maa s ASP 488 CO 0.00 -0.24 1.44 -0.81 0.52 0.00 0.00 175.17 176.07 1maa n PRO 489 N 5.36 0.01 -2.49 4.34 -0.04 -1.26 -3.16 135.00 137.76 1maa n PRO 489 Ca -0.06 0.29 -0.36 0.00 -0.04 0.00 0.00 63.50 63.33 1maa n PRO 489 Cb 0.50 -1.53 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 1maa n PRO 489 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1maa s ASN 490 N -3.08 6.47 -0.25 3.54 0.01 -1.26 -4.31 114.94 116.05 1maa s ASN 490 Ca 0.06 2.04 -0.29 0.00 -0.71 0.00 0.00 52.86 53.97 1maa s ASN 490 Cb 0.09 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 39.14 1maa s ASN 490 CO 0.25 -0.70 1.83 1.51 -1.51 0.00 0.00 177.10 178.48 1maa s ASP 491 N -1.70 6.01 0.00 -1.22 -4.77 -1.26 -4.93 116.67 108.79 1maa s ASP 491 Ca 0.63 1.61 0.00 0.00 -3.30 0.00 0.00 52.55 51.49 1maa s ASP 491 Cb -0.21 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.10 1maa s ASP 491 CO 0.26 -1.56 0.34 -2.65 0.70 0.00 0.00 175.17 172.25 1maa n PRO 492 N 8.18 0.00 0.30 2.11 -0.02 -1.26 -3.97 135.00 140.34 1maa n PRO 492 Ca 0.23 0.14 -0.17 0.00 -2.02 0.00 0.00 63.50 61.68 1maa n PRO 492 Cb 0.45 -0.84 -0.09 0.00 -0.02 0.00 0.00 33.50 33.01 1maa n PRO 492 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1maa h ARG 493 N 0.00 -0.69 -5.06 -0.52 -0.00 -2.05 -3.38 114.38 102.68 1maa h ARG 493 Ca 0.00 0.05 -0.06 0.00 -0.50 0.00 0.00 59.98 59.46 1maa h ARG 493 Cb 0.00 0.16 0.02 0.00 0.00 0.00 0.00 29.97 30.14 1maa h ARG 493 CO 0.00 -0.46 0.29 -0.40 0.00 0.00 0.00 179.97 179.40 1maa n ASP 494 N -5.39 0.82 -1.78 7.04 3.85 -1.25 -4.73 116.55 115.09 1maa n ASP 494 Ca -0.12 -2.32 -0.02 0.00 -0.71 0.00 0.00 54.79 51.62 1maa n ASP 494 Cb 0.30 -1.43 -0.03 0.00 -1.35 0.00 0.00 41.12 38.62 1maa n ASP 494 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1maa n ARG 495 N 7.57 0.84 0.00 0.11 3.00 -1.26 -4.54 116.66 122.38 1maa n ARG 495 Ca 0.36 -0.16 0.00 0.00 -0.01 0.00 0.00 57.85 58.03 1maa n ARG 495 Cb 0.46 -1.32 0.00 0.00 0.00 0.00 0.00 32.46 31.60 1maa n ARG 495 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1maa n LYS 496 N 1.90 0.00 0.00 5.56 5.02 -1.26 -5.00 118.16 124.38 1maa n LYS 496 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1maa n LYS 496 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.41 1maa n LYS 496 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1maa n SER 497 N 0.00 0.00 -4.66 4.39 3.41 -1.26 -5.04 113.62 110.46 1maa n SER 497 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1maa n SER 497 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1maa n SER 497 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1maa s PRO 498 N 0.00 4.23 -0.18 4.33 0.04 -1.26 -4.98 135.00 137.17 1maa s PRO 498 Ca 0.00 1.76 -0.08 0.00 0.04 0.00 0.00 61.00 62.72 1maa s PRO 498 Cb 0.00 -3.79 -0.04 0.00 0.04 0.00 0.00 34.50 30.71 1maa s PRO 498 CO 0.00 -0.71 0.10 -1.14 0.04 0.00 0.00 177.00 175.28 1maa s GLN 499 N 3.49 4.02 -0.55 4.56 2.00 -1.26 -4.91 119.66 127.02 1maa s GLN 499 Ca 0.58 -0.27 -0.24 0.00 -2.00 0.00 0.00 55.36 53.43 1maa s GLN 499 Cb -0.24 -3.30 0.04 0.00 0.80 0.00 0.00 33.01 30.31 1maa s GLN 499 CO 0.18 0.33 0.92 -0.46 -0.50 0.00 0.00 175.29 175.76 1maa s TRP 500 N 0.24 2.81 0.41 1.67 -0.11 -1.26 -4.98 118.94 117.71 1maa s TRP 500 Ca 0.06 -0.05 -0.16 0.00 1.22 0.00 0.00 56.10 57.18 1maa s TRP 500 Cb -0.12 -4.05 -0.09 0.00 -1.50 0.00 0.00 33.47 27.72 1maa s TRP 500 CO -0.01 -1.33 0.85 -1.25 -4.62 0.00 0.00 176.95 170.59 1maa s PRO 501 N 3.87 4.01 0.45 5.86 0.04 -1.26 -4.86 135.00 143.11 1maa s PRO 501 Ca 0.29 0.80 -0.24 0.00 0.04 0.00 0.00 61.00 61.90 1maa s PRO 501 Cb -0.13 -2.30 -0.07 0.00 0.04 0.00 0.00 34.50 32.04 1maa s PRO 501 CO 0.19 -0.02 1.25 -2.14 0.04 0.00 0.00 177.00 176.32 1maa s PRO 502 N -3.42 3.74 -0.04 0.56 0.02 -1.26 -4.68 135.00 129.92 1maa s PRO 502 Ca 0.57 1.99 -0.30 0.00 0.02 0.00 0.00 61.00 63.28 1maa s PRO 502 Cb -0.10 -2.52 -0.04 0.00 0.02 0.00 0.00 34.50 31.86 1maa s PRO 502 CO 0.22 -0.63 1.25 -0.47 -0.33 0.00 0.00 177.00 177.04 1maa s TYR 503 N -1.39 3.10 0.10 6.54 5.04 -0.01 -4.52 117.35 126.21 1maa s TYR 503 Ca 0.62 1.11 0.09 0.00 -2.44 0.00 0.00 57.07 56.45 1maa s TYR 503 Cb -0.34 -3.48 -0.04 0.00 0.35 0.00 0.00 41.96 38.45 1maa s TYR 503 CO 0.42 -1.61 -0.23 0.95 -1.34 0.00 0.00 175.55 173.75 1maa s THR 504 N 2.27 1.87 0.42 4.34 -4.23 -1.26 -4.39 115.64 114.64 1maa s THR 504 Ca 0.58 -1.57 0.13 0.00 -1.18 0.00 0.00 61.69 59.65 1maa s THR 504 Cb -0.26 -1.67 0.16 0.00 1.34 0.00 0.00 72.50 72.06 1maa s THR 504 CO 0.23 0.01 1.94 0.71 -0.54 0.00 0.00 174.62 176.97 1maa h THR 505 N 4.05 1.17 0.27 3.99 1.35 -1.91 0.50 112.91 122.34 1maa h THR 505 Ca -0.47 -0.79 -0.01 0.00 -0.55 0.00 0.00 66.41 64.58 1maa h THR 505 Cb 1.17 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 1maa h THR 505 CO 0.40 0.23 -0.13 0.00 -0.25 0.00 0.00 175.52 175.77 1maa h ALA 506 N 1.74 -0.82 0.00 6.62 0.00 -2.00 -3.37 119.26 121.42 1maa h ALA 506 Ca 0.01 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1maa h ALA 506 Cb 0.40 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1maa h ALA 506 CO 0.03 -0.79 -0.85 0.00 0.00 0.00 0.00 179.25 177.64 1maa h ALA 507 N -1.73 0.64 -6.30 0.00 0.00 -1.96 -3.49 119.26 106.43 1maa h ALA 507 Ca -0.04 -0.61 -0.47 0.00 0.00 0.00 0.00 54.91 53.79 1maa h ALA 507 Cb 0.28 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1maa h ALA 507 CO 0.06 0.76 -0.77 1.04 0.00 0.00 0.00 179.25 180.34 1maa n GLN 508 N -3.11 -5.35 -3.29 0.00 6.02 0.18 -4.24 117.38 107.59 1maa n GLN 508 Ca -0.02 0.59 -0.36 0.00 -0.01 0.00 0.00 57.00 57.19 1maa n GLN 508 Cb 0.78 -5.42 -0.06 0.00 1.02 0.00 0.00 30.24 26.56 1maa n GLN 508 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1maa s GLN 509 N -6.56 4.08 0.25 -1.09 -2.07 -1.26 -0.00 119.66 113.01 1maa s GLN 509 Ca 0.58 0.62 -0.05 0.00 -1.82 0.00 0.00 55.36 54.69 1maa s GLN 509 Cb -0.29 -3.00 -0.02 0.00 -1.09 0.00 0.00 33.01 28.61 1maa s GLN 509 CO 0.83 0.51 0.32 1.52 -1.32 0.00 0.00 175.29 177.15 1maa s TYR 510 N -1.38 0.90 0.24 9.60 1.13 0.49 -3.62 117.35 124.71 1maa s TYR 510 Ca 0.36 -1.15 0.09 0.00 -1.41 0.00 0.00 57.07 54.96 1maa s TYR 510 Cb -0.16 -0.22 -0.05 0.00 -1.10 0.00 0.00 41.96 40.42 1maa s TYR 510 CO 0.19 -0.87 -0.15 0.14 -2.51 0.00 0.00 175.55 172.36 1maa s VAL 511 N -3.87 1.96 -0.35 -3.49 -7.23 -0.48 -0.16 120.40 106.78 1maa s VAL 511 Ca 0.32 -2.26 -0.16 0.00 -1.81 0.00 0.00 61.98 58.07 1maa s VAL 511 Cb 0.03 -2.20 -0.01 0.00 0.56 0.00 0.00 36.38 34.76 1maa s VAL 511 CO 0.13 -0.48 0.41 -0.94 -0.31 0.00 0.00 175.10 173.91 1maa s SER 512 N -3.40 6.22 -0.65 4.85 1.04 -0.71 -0.62 113.70 120.44 1maa s SER 512 Ca 0.26 -0.19 -0.17 0.00 0.48 0.00 0.00 55.95 56.33 1maa s SER 512 Cb -0.01 -2.22 0.14 0.00 0.10 0.00 0.00 66.02 64.03 1maa s SER 512 CO 0.10 -0.40 0.66 -0.76 0.98 0.00 0.00 173.24 173.83 1maa s LEU 513 N 2.14 6.01 0.00 2.42 1.02 -0.23 -4.12 118.68 125.92 1maa s LEU 513 Ca 0.14 -1.91 -0.01 0.00 0.02 0.00 0.00 54.13 52.38 1maa s LEU 513 Cb -0.16 -2.25 0.00 0.00 0.02 0.00 0.00 46.19 43.80 1maa s LEU 513 CO 0.12 -0.88 0.25 -0.46 0.02 0.00 0.00 176.35 175.40 1maa n ASN 514 N 5.36 -0.69 0.17 2.29 0.23 -1.26 -0.18 115.26 121.19 1maa n ASN 514 Ca -0.04 -2.01 0.04 0.00 -0.53 0.00 0.00 54.58 52.04 1maa n ASN 514 Cb 0.43 1.30 0.44 0.00 -2.08 0.00 0.00 39.78 39.88 1maa n ASN 514 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1maa h LEU 515 N 0.00 0.10-10.49 -4.53 3.38 -1.93 -3.43 115.31 98.40 1maa h LEU 515 Ca -0.14 -0.02 -0.48 0.00 0.09 0.00 0.00 57.88 57.33 1maa h LEU 515 Cb 0.63 -0.03 0.11 0.00 0.09 0.00 0.00 40.66 41.46 1maa h LEU 515 CO 0.19 0.28 0.36 -0.54 0.09 0.00 0.00 178.44 178.83 1maa s LYS 516 N -4.65 2.03 1.18 1.13 1.02 -1.26 -5.02 119.74 114.16 1maa s LYS 516 Ca -0.04 0.40 -0.13 0.00 0.02 0.00 0.00 55.97 56.21 1maa s LYS 516 Cb 0.15 -1.93 0.28 0.00 -0.52 0.00 0.00 37.83 35.82 1maa s LYS 516 CO 0.71 -1.61 0.96 -2.30 -0.92 0.00 0.00 175.35 172.19 1maa n PRO 517 N -3.38 -2.48 -1.82 -1.68 -0.02 -1.26 -4.90 135.00 119.47 1maa n PRO 517 Ca 0.07 -0.69 -0.40 0.00 -2.02 0.00 0.00 63.50 60.45 1maa n PRO 517 Cb 0.58 -2.14 0.01 0.00 -0.02 0.00 0.00 33.50 31.93 1maa n PRO 517 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1maa s LEU 518 N -6.93 4.23 -0.06 2.45 1.43 -1.26 -4.87 118.68 113.67 1maa s LEU 518 Ca 0.68 2.98 0.02 0.00 -1.03 0.00 0.00 54.13 56.78 1maa s LEU 518 Cb -0.25 -3.79 0.01 0.00 0.03 0.00 0.00 46.19 42.19 1maa s LEU 518 CO 0.65 -1.00 -0.12 -0.70 0.23 0.00 0.00 176.35 175.42 1maa s GLU 519 N -2.24 1.61 -0.04 1.70 2.12 -1.26 -4.83 118.70 115.76 1maa s GLU 519 Ca 0.56 -0.41 -0.20 0.00 0.36 0.00 0.00 54.97 55.29 1maa s GLU 519 Cb -0.45 -1.35 -0.05 0.00 0.26 0.00 0.00 34.13 32.54 1maa s GLU 519 CO 0.60 0.05 0.56 0.08 -0.54 0.00 0.00 175.26 176.01 1maa s VAL 520 N 0.57 5.00 0.01 3.70 1.01 -1.26 -1.73 120.40 127.69 1maa s VAL 520 Ca -0.13 1.16 0.04 0.00 0.00 0.00 0.00 61.98 63.06 1maa s VAL 520 Cb -0.15 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 1maa s VAL 520 CO 0.03 0.39 -0.13 -0.13 0.00 0.00 0.00 175.10 175.26 1maa s ARG 521 N 0.04 1.02 -0.13 2.72 0.52 0.78 -4.97 118.95 118.92 1maa s ARG 521 Ca 0.30 -0.57 -0.04 0.00 -0.52 0.00 0.00 55.73 54.90 1maa s ARG 521 Cb -0.17 -1.00 -0.03 0.00 0.52 0.00 0.00 34.95 34.26 1maa s ARG 521 CO 0.15 0.27 0.01 1.03 0.02 0.00 0.00 175.30 176.78 1maa s ARG 522 N -0.60 3.49 -0.00 3.54 0.52 -1.26 -0.38 118.95 124.26 1maa s ARG 522 Ca 0.04 -0.41 -0.00 0.00 -0.52 0.00 0.00 55.73 54.83 1maa s ARG 522 Cb -0.06 -2.96 0.00 0.00 0.52 0.00 0.00 34.95 32.45 1maa s ARG 522 CO 0.00 0.45 0.00 0.41 0.02 0.00 0.00 175.30 176.18 1maa n GLY 523 N 2.94 -2.90 3.45 -3.53 0.00 1.00 -4.92 105.19 101.23 1maa n GLY 523 Ca -0.18 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 1maa n GLY 523 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1maa s LEU 524 N -0.01 4.67 -1.51 0.99 2.96 -1.26 -4.09 118.68 120.44 1maa s LEU 524 Ca -0.00 -1.43 -0.09 0.00 -0.22 0.00 0.00 54.13 52.39 1maa s LEU 524 Cb 0.00 -2.41 0.07 0.00 0.50 0.00 0.00 46.19 44.35 1maa s LEU 524 CO 0.00 -1.28 0.73 0.54 -1.32 0.00 0.00 176.35 175.03 1maa n ARG 525 N 7.22 -4.21 -0.10 1.98 5.12 -1.26 -4.75 116.66 120.67 1maa n ARG 525 Ca 0.07 0.49 -0.10 0.00 -1.93 0.00 0.00 57.85 56.39 1maa n ARG 525 Cb 0.47 -5.07 -0.07 0.00 -1.16 0.00 0.00 32.46 26.62 1maa n ARG 525 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1maa h ALA 526 N 0.90 -0.63 -0.82 7.54 0.00 -1.94 0.16 119.26 124.46 1maa h ALA 526 Ca -0.60 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1maa h ALA 526 Cb 1.38 1.00 -0.04 0.00 0.00 0.00 0.00 17.79 20.13 1maa h ALA 526 CO 0.67 -0.82 0.53 1.96 0.00 0.00 0.00 179.25 181.59 1maa h GLN 527 N -0.27 1.09 -0.16 0.00 7.50 -1.95 -1.83 115.11 119.49 1maa h GLN 527 Ca 0.05 -0.07 -0.21 0.00 0.50 0.00 0.00 58.65 58.92 1maa h GLN 527 Cb 0.41 -0.24 0.01 0.00 0.05 0.00 0.00 27.48 27.70 1maa h GLN 527 CO -0.41 0.73 -0.73 1.15 -1.50 0.00 0.00 178.83 178.07 1maa h THR 528 N 1.12 1.30 0.00 -0.54 2.02 -1.84 -3.08 112.91 111.89 1maa h THR 528 Ca 0.30 -1.96 -0.10 0.00 0.77 0.00 0.00 66.41 65.42 1maa h THR 528 Cb -0.11 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1maa h THR 528 CO -0.06 0.62 -0.47 0.00 0.37 0.00 0.00 175.52 175.98 1maa h ALA 530 N 1.53 1.43 -0.23 0.00 0.00 -1.29 0.49 119.26 121.19 1maa h ALA 530 Ca -0.00 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1maa h ALA 530 Cb 0.96 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1maa h ALA 530 CO 0.06 0.40 -0.04 0.35 0.00 0.00 0.00 179.25 180.03 1maa h PHE 531 N 0.17 0.48 -0.01 0.00 3.57 -1.25 -0.94 116.94 118.96 1maa h PHE 531 Ca 0.03 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 1maa h PHE 531 Cb 0.49 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1maa h PHE 531 CO 0.01 0.64 -0.06 -1.49 -2.23 0.00 0.00 178.31 175.18 1maa h TRP 532 N 0.17 0.09 0.09 0.41 4.06 -1.04 0.45 115.95 120.18 1maa h TRP 532 Ca 0.06 -0.04 -0.00 0.00 2.06 0.00 0.00 58.89 60.97 1maa h TRP 532 Cb 0.48 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.62 1maa h TRP 532 CO 0.05 0.72 -0.04 -0.91 -3.56 0.00 0.00 178.44 174.70 1maa h ASN 533 N -0.58 -0.10 0.00 -3.49 2.35 -0.14 -3.36 115.58 110.27 1maa h ASN 533 Ca -0.00 -0.44 -0.08 0.00 -0.55 0.00 0.00 56.30 55.23 1maa h ASN 533 Cb 0.73 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 1maa h ASN 533 CO 0.01 0.43 -0.55 0.03 -1.65 0.00 0.00 177.43 175.70 1maa h ARG 534 N -0.68 0.00 0.00 0.81 3.08 -1.32 -3.43 114.38 112.84 1maa h ARG 534 Ca -0.01 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 1maa h ARG 534 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1maa h ARG 534 CO 0.02 0.55 -0.52 0.35 -1.07 0.00 0.00 179.97 179.30 1maa h PHE 535 N -1.00 0.00 -1.03 3.04 3.57 -1.39 -3.39 116.94 116.73 1maa h PHE 535 Ca -0.12 0.00 0.31 0.00 3.53 0.00 0.00 57.97 61.69 1maa h PHE 535 Cb 0.78 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 39.39 1maa h PHE 535 CO 0.04 0.67 0.61 1.25 -2.23 0.00 0.00 178.31 178.65 1maa h LEU 536 N -1.00 0.53 -0.88 0.59 6.46 -0.26 -0.14 115.31 120.61 1maa h LEU 536 Ca -0.11 0.16 -0.09 0.00 -0.12 0.00 0.00 57.88 57.73 1maa h LEU 536 Cb 0.75 0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.76 1maa h LEU 536 CO -0.06 -0.05 -0.14 1.55 -0.62 0.00 0.00 178.44 179.12 1maa h PRO 537 N 0.38 0.68 -0.21 5.25 0.13 -1.77 0.37 132.00 136.83 1maa h PRO 537 Ca 0.70 -0.22 -0.03 0.00 -0.87 0.00 0.00 66.00 65.58 1maa h PRO 537 Cb 1.62 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.68 1maa h PRO 537 CO -0.52 0.79 0.03 0.87 -0.23 0.00 0.00 178.00 178.93 1maa h LYS 538 N 0.61 0.35 -0.71 0.86 1.57 -1.23 0.08 116.57 118.10 1maa h LYS 538 Ca 0.10 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1maa h LYS 538 Cb 0.58 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 1maa h LYS 538 CO 0.04 0.51 0.37 1.25 -0.57 0.00 0.00 179.45 181.05 1maa h LEU 539 N 0.14 0.89 -0.07 2.94 6.46 -1.14 -0.65 115.31 123.87 1maa h LEU 539 Ca 0.06 -0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1maa h LEU 539 Cb 0.34 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.04 1maa h LEU 539 CO 0.01 0.73 0.03 -0.07 -0.62 0.00 0.00 178.44 178.52 1maa h LEU 540 N 0.99 0.09 -0.83 2.25 -0.00 0.19 -2.32 115.31 115.69 1maa h LEU 540 Ca 0.25 -0.11 -0.11 0.00 -0.00 0.00 0.00 57.88 57.92 1maa h LEU 540 Cb 0.05 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 40.68 1maa h LEU 540 CO -0.04 0.17 -0.25 0.77 -0.00 0.00 0.00 178.44 179.09 1maa h SER 541 N 0.00 0.60 -0.98 -0.43 4.64 -0.68 -0.34 113.55 116.36 1maa h SER 541 Ca 0.02 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1maa h SER 541 Cb 0.10 -0.16 -0.05 0.00 -0.31 0.00 0.00 62.40 61.98 1maa h SER 541 CO -0.00 0.84 0.63 0.00 -0.87 0.00 0.00 176.83 177.43 1maa h ALA 542 N 1.21 1.24 -0.56 5.18 0.00 -0.95 -2.67 119.26 122.70 1maa h ALA 542 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1maa h ALA 542 Cb 0.71 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1maa h ALA 542 CO 0.05 0.66 0.00 0.25 0.00 0.00 0.00 179.25 180.21 1maa n THR 543 N -4.38 0.74 -1.08 0.00 -2.24 -0.89 -5.02 114.28 101.41 1maa n THR 543 Ca 0.11 -0.85 -0.34 0.00 -2.27 0.00 0.00 64.05 60.70 1maa n THR 543 Cb 0.03 0.71 0.12 0.00 -2.10 0.00 0.00 70.33 69.09 1maa n THR 543 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1maa n ASP 544 N 1.54 0.43 0.00 3.42 8.00 -0.15 -4.87 116.55 124.93 1maa n ASP 544 Ca 0.22 0.56 0.00 0.00 0.71 0.00 0.00 54.79 56.28 1maa n ASP 544 Cb 0.61 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 1maa n ASP 544 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22