#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2whq s ASP 5 N 0.00 6.86 0.54 4.31 3.68 -1.26 -4.91 116.67 125.88 2whq s ASP 5 Ca 0.00 0.91 0.21 0.00 2.13 0.00 0.00 52.55 55.80 2whq s ASP 5 Cb 0.00 -2.53 1.44 0.00 -1.45 0.00 0.00 42.92 40.39 2whq s ASP 5 CO 0.00 -0.89 2.16 -0.65 0.13 0.00 0.00 175.17 175.92 2whq h PRO 6 N 8.24 0.00 0.00 4.34 0.11 -2.04 0.10 132.00 142.75 2whq h PRO 6 Ca -0.21 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.87 2whq h PRO 6 Cb 1.06 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2whq h PRO 6 CO 1.03 0.03 -0.15 1.96 -0.21 0.00 0.00 178.00 180.65 2whq h GLN 7 N 0.00 0.00 -0.48 1.05 1.08 -2.03 -2.93 115.11 111.80 2whq h GLN 7 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2whq h GLN 7 Cb 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 2whq h GLN 7 CO 0.00 0.15 0.00 1.28 -0.95 0.00 0.00 178.83 179.31 2whq n LEU 8 N -4.09 3.18 -4.23 1.46 4.77 0.35 -4.84 117.00 113.60 2whq n LEU 8 Ca -0.02 -1.48 -0.33 0.00 -0.03 0.00 0.00 56.01 54.14 2whq n LEU 8 Cb 0.23 -0.32 -0.15 0.00 -2.33 0.00 0.00 43.42 40.85 2whq n LEU 8 CO 0.34 0.74 -0.48 -0.22 -1.33 0.00 0.00 177.39 176.44 2whq s LEU 9 N -1.26 2.42 -0.00 2.23 0.20 -1.11 -0.15 118.68 121.02 2whq s LEU 9 Ca 0.40 -0.51 0.01 0.00 0.69 0.00 0.00 54.13 54.72 2whq s LEU 9 Cb 0.22 -1.56 -0.00 0.00 -0.43 0.00 0.00 46.19 44.42 2whq s LEU 9 CO 0.29 0.05 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.69 2whq s VAL 10 N 1.00 0.25 -0.23 1.68 1.01 -0.68 -4.98 120.40 118.46 2whq s VAL 10 Ca -0.02 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 2whq s VAL 10 Cb -0.15 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 2whq s VAL 10 CO -0.03 0.05 0.08 -0.60 0.00 0.00 0.00 175.10 174.59 2whq s ARG 11 N -0.14 3.83 0.47 2.72 3.52 -1.26 -0.27 118.95 127.81 2whq s ARG 11 Ca 0.01 -0.40 0.06 0.00 -0.13 0.00 0.00 55.73 55.26 2whq s ARG 11 Cb -0.02 -3.32 -0.02 0.00 -1.56 0.00 0.00 34.95 30.03 2whq s ARG 11 CO -0.00 0.01 0.19 0.14 -0.81 0.00 0.00 175.30 174.83 2whq s VAL 12 N 1.12 1.90 0.41 7.11 -7.23 0.46 -4.89 120.40 119.27 2whq s VAL 12 Ca 0.05 -1.72 0.18 0.00 -1.81 0.00 0.00 61.98 58.68 2whq s VAL 12 Cb -0.14 -2.61 0.39 0.00 0.56 0.00 0.00 36.38 34.57 2whq s VAL 12 CO 0.04 0.00 1.81 0.03 -0.31 0.00 0.00 175.10 176.67 2whq h ARG 13 N 1.25 0.39 0.00 4.82 3.08 -1.95 -0.66 114.38 121.31 2whq h ARG 13 Ca -0.42 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.61 2whq h ARG 13 Cb 1.28 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2whq h ARG 13 CO 0.68 0.26 -0.05 0.41 -1.07 0.00 0.00 179.97 180.20 2whq n GLY 14 N -1.50 -1.60 0.00 0.04 0.00 -1.26 -4.95 105.19 95.92 2whq n GLY 14 Ca 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2whq n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2whq n GLY 15 N 1.39 0.97 3.88 -0.02 0.00 -0.26 -0.96 105.19 110.19 2whq n GLY 15 Ca 0.06 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.86 2whq n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2whq s GLN 16 N -1.94 3.69 0.06 1.61 -0.21 -1.25 -0.40 119.66 121.22 2whq s GLN 16 Ca 0.00 0.05 0.05 0.00 0.02 0.00 0.00 55.36 55.48 2whq s GLN 16 Cb 0.00 -2.89 -0.03 0.00 1.00 0.00 0.00 33.01 31.10 2whq s GLN 16 CO 0.00 0.49 -0.15 -0.51 -2.12 0.00 0.00 175.29 173.00 2whq s LEU 17 N -2.37 2.22 -0.16 2.90 1.43 0.62 -0.41 118.68 122.92 2whq s LEU 17 Ca 0.38 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 2whq s LEU 17 Cb -0.13 -0.63 0.02 0.00 0.03 0.00 0.00 46.19 45.49 2whq s LEU 17 CO 0.21 0.00 -0.19 -0.60 0.23 0.00 0.00 176.35 176.01 2whq s ARG 18 N -1.45 2.78 0.00 1.70 3.52 -0.17 -1.68 118.95 123.65 2whq s ARG 18 Ca 0.01 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 54.86 2whq s ARG 18 Cb -0.09 -2.40 0.00 0.00 -1.56 0.00 0.00 34.95 30.90 2whq s ARG 18 CO 0.02 -0.18 0.00 0.41 -0.81 0.00 0.00 175.30 174.74 2whq n GLY 19 N 4.56 1.04 3.03 8.12 0.00 0.79 -0.44 105.19 122.30 2whq n GLY 19 Ca -0.20 -1.97 -0.16 0.00 0.00 0.00 0.00 46.02 43.69 2whq n GLY 19 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2whq s ILE 20 N 0.72 0.64 -0.19 -0.61 2.07 0.82 -4.76 121.20 119.89 2whq s ILE 20 Ca 0.00 -0.62 -0.27 0.00 -1.41 0.00 0.00 60.65 58.35 2whq s ILE 20 Cb 0.00 -0.59 -0.01 0.00 0.13 0.00 0.00 42.46 42.00 2whq s ILE 20 CO 0.00 -0.02 0.91 -0.60 -1.91 0.00 0.00 174.94 173.33 2whq s ARG 21 N -0.71 4.28 0.27 3.50 3.52 -1.26 -0.70 118.95 127.85 2whq s ARG 21 Ca -0.01 1.15 0.09 0.00 -0.13 0.00 0.00 55.73 56.83 2whq s ARG 21 Cb -0.05 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 2whq s ARG 21 CO 0.00 -0.45 0.08 -0.51 -0.81 0.00 0.00 175.30 173.61 2whq s LEU 22 N 2.58 3.38 -0.25 -0.88 1.43 0.10 -4.93 118.68 120.12 2whq s LEU 22 Ca 0.40 -0.55 -0.08 0.00 -1.03 0.00 0.00 54.13 52.87 2whq s LEU 22 Cb -0.16 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 2whq s LEU 22 CO 0.10 -0.06 0.09 -0.75 0.23 0.00 0.00 176.35 175.97 2whq s LYS 23 N -3.75 3.75 0.24 1.70 2.47 -1.26 -0.54 119.74 122.34 2whq s LYS 23 Ca 0.33 -0.43 0.07 0.00 -1.56 0.00 0.00 55.97 54.38 2whq s LYS 23 Cb -0.06 -3.38 -0.04 0.00 -1.46 0.00 0.00 37.83 32.89 2whq s LYS 23 CO 0.22 -0.13 0.16 0.00 0.16 0.00 0.00 175.35 175.75 2whq s ALA 24 N 1.50 3.52 0.31 3.13 0.00 0.88 -4.94 121.76 126.16 2whq s ALA 24 Ca 0.06 -1.41 0.08 0.00 0.00 0.00 0.00 51.96 50.70 2whq s ALA 24 Cb -0.15 -1.24 0.85 0.00 0.00 0.00 0.00 23.12 22.57 2whq s ALA 24 CO 0.05 0.30 1.73 -1.35 0.00 0.00 0.00 175.76 176.50 2whq h PRO 25 N 1.74 0.58 -0.12 0.00 0.11 -1.96 -0.99 132.00 131.36 2whq h PRO 25 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2whq h PRO 25 Cb 1.23 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2whq h PRO 25 CO 0.61 0.38 0.00 0.41 -0.21 0.00 0.00 178.00 179.19 2whq n GLY 26 N -1.32 0.87 0.00 -0.55 0.00 -1.26 -5.04 105.19 97.90 2whq n GLY 26 Ca 0.26 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2whq n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2whq n GLY 27 N 1.33 -1.87 3.85 -0.02 0.00 -0.38 -5.10 105.19 103.01 2whq n GLY 27 Ca 0.16 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.44 2whq n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2whq s PRO 28 N -1.86 3.86 0.11 1.61 0.05 -1.26 -0.09 135.00 137.42 2whq s PRO 28 Ca 0.00 0.79 0.04 0.00 0.05 0.00 0.00 61.00 61.88 2whq s PRO 28 Cb 0.00 -2.20 -0.04 0.00 0.05 0.00 0.00 34.50 32.31 2whq s PRO 28 CO 0.00 -0.24 -0.10 0.14 0.05 0.00 0.00 177.00 176.85 2whq s VAL 29 N -2.62 0.99 -0.21 -0.36 -7.23 0.30 -3.84 120.40 107.43 2whq s VAL 29 Ca 0.56 -1.73 -0.14 0.00 -1.81 0.00 0.00 61.98 58.87 2whq s VAL 29 Cb -0.10 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.32 2whq s VAL 29 CO 0.34 -0.60 0.29 -0.44 -0.31 0.00 0.00 175.10 174.38 2whq s SER 30 N -2.60 6.31 -0.07 4.85 0.01 -0.50 0.02 113.70 121.73 2whq s SER 30 Ca 0.08 0.36 0.05 0.00 1.31 0.00 0.00 55.95 57.75 2whq s SER 30 Cb -0.02 -2.18 -0.01 0.00 0.21 0.00 0.00 66.02 64.03 2whq s SER 30 CO 0.00 -0.00 -0.24 0.00 0.41 0.00 0.00 173.24 173.41 2whq s ALA 31 N 1.12 2.13 -0.32 1.44 0.00 0.12 -1.37 121.76 124.87 2whq s ALA 31 Ca 0.14 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.13 2whq s ALA 31 Cb -0.14 -0.71 0.09 0.00 0.00 0.00 0.00 23.12 22.37 2whq s ALA 31 CO 0.06 0.37 0.04 -0.06 0.00 0.00 0.00 175.76 176.17 2whq s PHE 32 N 0.01 3.30 -0.05 0.00 0.40 0.71 -0.12 117.98 122.23 2whq s PHE 32 Ca -0.09 -2.66 0.01 0.00 -0.60 0.00 0.00 56.93 53.59 2whq s PHE 32 Cb -0.15 -2.56 -0.03 0.00 0.51 0.00 0.00 43.02 40.79 2whq s PHE 32 CO 0.05 -0.92 -0.06 -0.51 0.70 0.00 0.00 175.22 174.48 2whq s LEU 33 N 1.07 3.22 -0.63 -0.37 1.43 -0.21 -0.53 118.68 122.66 2whq s LEU 33 Ca 0.08 -0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 53.11 2whq s LEU 33 Cb -0.19 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.29 2whq s LEU 33 CO -0.11 0.34 0.42 0.61 0.23 0.00 0.00 176.35 177.85 2whq n GLY 34 N 2.00 0.24 3.68 -3.19 0.00 -1.12 -3.71 105.19 103.08 2whq n GLY 34 Ca -0.17 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 2whq n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2whq s ILE 35 N -3.01 4.74 0.13 -0.61 1.01 -0.42 -4.81 121.20 118.24 2whq s ILE 35 Ca 0.21 2.03 -0.30 0.00 0.00 0.00 0.00 60.65 62.59 2whq s ILE 35 Cb -0.09 -4.31 -0.07 0.00 0.01 0.00 0.00 42.46 38.00 2whq s ILE 35 CO 0.26 -0.06 1.15 -2.16 0.00 0.00 0.00 174.94 174.12 2whq s PRO 36 N 2.44 4.52 0.00 2.79 0.04 -1.26 -0.59 135.00 142.94 2whq s PRO 36 Ca 0.47 1.75 0.04 0.00 0.04 0.00 0.00 61.00 63.30 2whq s PRO 36 Cb -0.17 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 31.08 2whq s PRO 36 CO 0.14 -0.08 0.50 1.97 0.04 0.00 0.00 177.00 179.57 2whq n PHE 37 N 2.99 0.00 -3.91 0.56 1.16 -1.05 -4.84 117.46 112.37 2whq n PHE 37 Ca 0.05 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.54 2whq n PHE 37 Cb 0.46 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.24 2whq n PHE 37 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2whq s ALA 38 N -0.59 -0.12 0.22 1.98 0.00 -1.24 -2.99 121.76 119.03 2whq s ALA 38 Ca 0.04 -0.53 -0.32 0.00 0.00 0.00 0.00 51.96 51.15 2whq s ALA 38 Cb 0.03 0.28 -0.12 0.00 0.00 0.00 0.00 23.12 23.30 2whq s ALA 38 CO 0.07 -0.34 1.65 0.39 0.00 0.00 0.00 175.76 177.53 2whq n GLU 39 N 0.66 2.61 -1.64 0.00 -0.58 -0.13 -4.47 120.64 117.08 2whq n GLU 39 Ca -0.18 0.94 -0.56 0.00 -0.42 0.00 0.00 57.16 56.93 2whq n GLU 39 Cb 0.59 -2.74 -0.07 0.00 -0.57 0.00 0.00 31.44 28.65 2whq n GLU 39 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2whq n PRO 40 N 3.33 0.94 -1.47 3.49 -0.02 -1.26 -4.65 135.00 135.36 2whq n PRO 40 Ca 0.14 0.34 -0.35 0.00 -2.02 0.00 0.00 63.50 61.62 2whq n PRO 40 Cb 0.34 -1.98 -0.04 0.00 -0.02 0.00 0.00 33.50 31.80 2whq n PRO 40 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2whq n PRO 41 N 3.64 3.64 -4.25 0.52 -0.04 -1.26 -4.92 135.00 132.33 2whq n PRO 41 Ca 0.23 -2.41 -0.24 0.00 -0.04 0.00 0.00 63.50 61.04 2whq n PRO 41 Cb 0.14 -2.60 -0.08 0.00 -0.04 0.00 0.00 33.50 30.92 2whq n PRO 41 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2whq s VAL 42 N 0.76 2.91 0.00 0.52 -7.23 -1.26 -3.46 120.40 112.64 2whq s VAL 42 Ca 0.64 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 2whq s VAL 42 Cb 0.21 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 34.29 2whq s VAL 42 CO -0.07 -0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.10 2whq n GLY 43 N -1.01 3.61 0.10 2.32 0.00 -1.26 -1.99 105.19 106.97 2whq n GLY 43 Ca -0.04 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.11 2whq n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2whq n SER 44 N 9.21 0.66 -0.10 1.61 3.41 -1.26 -2.71 113.62 124.43 2whq n SER 44 Ca 0.00 0.61 0.14 0.00 -0.26 0.00 0.00 58.87 59.36 2whq n SER 44 Cb 0.00 -0.77 0.56 0.00 -0.26 0.00 0.00 64.21 63.74 2whq n SER 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2whq n ARG 45 N -2.17 0.56 -1.69 4.33 1.74 -0.84 -4.82 116.66 113.76 2whq n ARG 45 Ca 0.04 -0.21 -0.42 0.00 -0.77 0.00 0.00 57.85 56.49 2whq n ARG 45 Cb 0.32 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.26 2whq n ARG 45 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2whq n ARG 46 N -1.04 2.07 -0.33 5.56 0.63 -1.10 -1.28 116.66 121.17 2whq n ARG 46 Ca 0.13 0.73 0.00 0.00 -0.92 0.00 0.00 57.85 57.78 2whq n ARG 46 Cb 0.29 -2.32 0.00 0.00 0.45 0.00 0.00 32.46 30.89 2whq n ARG 46 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2whq n PHE 47 N 0.24 0.00 -3.56 -0.14 3.72 -1.26 -4.94 117.46 111.51 2whq n PHE 47 Ca 0.05 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.17 2whq n PHE 47 Cb 0.37 -0.66 -0.03 0.00 -0.94 0.00 0.00 39.48 38.22 2whq n PHE 47 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 2whq s MET 48 N -0.24 3.57 0.59 -1.08 -1.94 -0.40 -4.38 119.30 115.42 2whq s MET 48 Ca 0.00 -0.19 -0.18 0.00 -1.71 0.00 0.00 55.69 53.61 2whq s MET 48 Cb 0.00 -2.77 -0.08 0.00 2.01 0.00 0.00 34.83 34.00 2whq s MET 48 CO 0.00 0.33 0.58 -2.30 -0.01 0.00 0.00 175.02 173.63 2whq n PRO 49 N -0.71 0.53 -2.11 2.03 -0.02 -1.26 -4.94 135.00 128.52 2whq n PRO 49 Ca -0.03 0.21 -0.33 0.00 -2.02 0.00 0.00 63.50 61.33 2whq n PRO 49 Cb 0.54 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 2whq n PRO 49 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2whq s PRO 50 N -2.26 3.38 0.11 0.52 0.04 -1.26 -5.07 135.00 130.47 2whq s PRO 50 Ca 0.69 1.22 0.08 0.00 0.04 0.00 0.00 61.00 63.03 2whq s PRO 50 Cb -0.43 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 2whq s PRO 50 CO 0.54 -0.76 -0.12 -1.21 0.04 0.00 0.00 177.00 175.48 2whq s GLU 51 N -3.97 2.02 0.37 4.56 2.02 -1.26 -5.04 118.70 117.40 2whq s GLU 51 Ca 0.64 -1.09 -0.28 0.00 0.02 0.00 0.00 54.97 54.26 2whq s GLU 51 Cb -0.16 -2.24 -0.11 0.00 0.10 0.00 0.00 34.13 31.72 2whq s GLU 51 CO 0.35 0.49 1.50 -2.14 0.02 0.00 0.00 175.26 175.48 2whq s PRO 52 N -2.25 4.10 0.24 0.39 0.02 -1.26 -0.96 135.00 135.28 2whq s PRO 52 Ca 0.21 2.59 -0.31 0.00 0.02 0.00 0.00 61.00 63.50 2whq s PRO 52 Cb -0.11 -2.97 -0.12 0.00 0.02 0.00 0.00 34.50 31.32 2whq s PRO 52 CO 0.13 -0.56 1.67 1.17 -0.33 0.00 0.00 177.00 179.08 2whq n LYS 53 N 0.60 2.72 -2.14 5.54 3.00 -1.16 -4.02 118.16 122.70 2whq n LYS 53 Ca 0.02 0.98 -0.37 0.00 -0.00 0.00 0.00 58.31 58.94 2whq n LYS 53 Cb 0.39 -2.80 0.01 0.00 0.00 0.00 0.00 35.03 32.63 2whq n LYS 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2whq s ARG 54 N 0.52 3.42 0.57 1.64 0.52 -1.26 -4.90 118.95 119.46 2whq s ARG 54 Ca 0.71 1.82 -0.20 0.00 -0.52 0.00 0.00 55.73 57.54 2whq s ARG 54 Cb -0.51 -2.21 -0.06 0.00 0.52 0.00 0.00 34.95 32.70 2whq s ARG 54 CO 0.39 -0.84 1.05 -2.30 0.02 0.00 0.00 175.30 173.62 2whq n PRO 55 N -0.96 1.11 -4.46 3.54 -0.02 -1.26 -5.00 135.00 127.95 2whq n PRO 55 Ca 0.10 0.42 -0.25 0.00 -2.02 0.00 0.00 63.50 61.75 2whq n PRO 55 Cb 0.48 -2.23 -0.10 0.00 -0.02 0.00 0.00 33.50 31.63 2whq n PRO 55 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2whq s TRP 56 N -1.43 2.29 0.41 6.00 -2.14 -0.14 -5.04 118.94 118.89 2whq s TRP 56 Ca 0.73 -0.34 -0.03 0.00 2.66 0.00 0.00 56.10 59.13 2whq s TRP 56 Cb -0.44 -1.02 -0.04 0.00 -3.10 0.00 0.00 33.47 28.88 2whq s TRP 56 CO 0.49 0.67 0.67 -1.54 -2.66 0.00 0.00 176.95 174.58 2whq s SER 57 N -3.33 6.30 0.87 -2.66 1.04 -1.26 -4.59 113.70 110.06 2whq s SER 57 Ca 0.28 0.73 0.00 0.00 0.48 0.00 0.00 55.95 57.44 2whq s SER 57 Cb -0.06 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 63.91 2whq s SER 57 CO 0.14 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.54 2whq n GLY 58 N -1.95 0.77 3.30 7.32 0.00 -1.26 -4.62 105.19 108.75 2whq n GLY 58 Ca -0.02 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 2whq n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2whq s VAL 59 N 0.00 3.75 0.02 1.61 1.01 -1.26 -3.75 120.40 121.78 2whq s VAL 59 Ca 0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 2whq s VAL 59 Cb 0.00 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 2whq s VAL 59 CO 0.00 0.00 1.24 -0.22 0.00 0.00 0.00 175.10 176.12 2whq s LEU 60 N 1.44 4.33 -0.34 3.92 2.96 0.45 -4.83 118.68 126.62 2whq s LEU 60 Ca 0.01 1.98 -0.29 0.00 -0.22 0.00 0.00 54.13 55.61 2whq s LEU 60 Cb -0.18 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.94 2whq s LEU 60 CO 0.02 -0.55 1.33 -0.62 -1.32 0.00 0.00 176.35 175.21 2whq s ASP 61 N 1.31 6.56 -0.53 3.68 3.68 -1.26 -1.00 116.67 129.10 2whq s ASP 61 Ca 0.59 1.07 0.05 0.00 2.13 0.00 0.00 52.55 56.39 2whq s ASP 61 Cb -0.29 -2.54 0.37 0.00 -1.45 0.00 0.00 42.92 39.02 2whq s ASP 61 CO 0.27 -1.20 1.03 0.00 0.13 0.00 0.00 175.17 175.40 2whq n ALA 62 N 8.01 4.87 0.38 3.66 0.00 0.42 -4.75 120.51 133.10 2whq n ALA 62 Ca 0.15 -4.55 0.04 0.00 0.00 0.00 0.00 53.44 49.09 2whq n ALA 62 Cb 0.47 -0.68 0.03 0.00 0.00 0.00 0.00 19.45 19.27 2whq n ALA 62 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2whq n THR 63 N -0.34 0.00 -3.84 0.00 -2.24 -1.24 -1.04 114.28 105.58 2whq n THR 63 Ca 0.35 -0.48 -0.12 0.00 -2.27 0.00 0.00 64.05 61.53 2whq n THR 63 Cb 0.50 1.17 -0.10 0.00 -2.10 0.00 0.00 70.33 69.80 2whq n THR 63 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2whq s THR 64 N -0.85 0.07 0.47 4.28 -1.32 -1.26 -4.84 115.64 112.19 2whq s THR 64 Ca 0.10 -0.61 -0.24 0.00 -1.21 0.00 0.00 61.69 59.72 2whq s THR 64 Cb 0.07 -0.49 -0.07 0.00 -1.51 0.00 0.00 72.50 70.51 2whq s THR 64 CO 0.13 -0.34 1.34 -0.36 -2.21 0.00 0.00 174.62 173.19 2whq s PHE 65 N -1.34 2.55 0.64 9.09 0.08 -1.26 -3.51 117.98 124.22 2whq s PHE 65 Ca -0.14 1.37 -0.05 0.00 0.12 0.00 0.00 56.93 58.22 2whq s PHE 65 Cb -0.07 -3.76 0.14 0.00 -0.57 0.00 0.00 43.02 38.76 2whq s PHE 65 CO 0.02 -2.54 0.87 1.04 -0.10 0.00 0.00 175.22 174.51 2whq n GLN 66 N -0.39 -0.37 -1.49 0.44 1.13 -1.26 -4.88 117.38 110.55 2whq n GLN 66 Ca 0.07 -1.89 -0.35 0.00 -1.94 0.00 0.00 57.00 52.88 2whq n GLN 66 Cb 0.44 -0.73 0.09 0.00 0.11 0.00 0.00 30.24 30.15 2whq n GLN 66 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2whq s ASN 67 N -4.39 4.27 0.02 1.08 0.01 -1.26 -4.86 114.94 109.80 2whq s ASN 67 Ca 0.54 2.40 -0.21 0.00 -0.71 0.00 0.00 52.86 54.89 2whq s ASN 67 Cb -0.02 -2.59 -0.06 0.00 0.41 0.00 0.00 41.25 38.99 2whq s ASN 67 CO 0.37 -2.22 0.60 -0.69 -1.51 0.00 0.00 177.10 173.66 2whq s VAL 68 N -1.88 4.86 0.34 1.60 1.01 -0.33 -4.70 120.40 121.30 2whq s VAL 68 Ca 0.76 1.27 -0.28 0.00 0.00 0.00 0.00 61.98 63.73 2whq s VAL 68 Cb -0.31 -3.94 -0.12 0.00 0.00 0.00 0.00 36.38 32.01 2whq s VAL 68 CO 0.44 0.44 1.28 0.00 0.00 0.00 0.00 175.10 177.26 2whq n TYR 70 N 0.31 2.62 -3.49 0.00 9.36 -0.94 -4.70 117.16 120.31 2whq n TYR 70 Ca 0.05 0.15 -0.11 0.00 3.32 0.00 0.00 57.90 61.30 2whq n TYR 70 Cb 0.36 -2.62 -0.03 0.00 -0.63 0.00 0.00 39.34 36.42 2whq n TYR 70 CO 0.00 0.00 0.00 1.14 0.22 0.00 0.00 176.86 178.22 2whq s GLN 71 N 0.80 0.96 0.51 2.98 -2.07 -1.26 -4.66 119.66 116.92 2whq s GLN 71 Ca 0.74 -0.18 -0.23 0.00 -1.82 0.00 0.00 55.36 53.87 2whq s GLN 71 Cb -0.56 0.45 -0.06 0.00 -1.09 0.00 0.00 33.01 31.75 2whq s GLN 71 CO 0.37 -0.39 1.37 0.98 -1.32 0.00 0.00 175.29 176.31 2whq n TYR 72 N 0.07 2.41 -4.74 9.60 4.19 -1.26 -5.03 117.16 122.40 2whq n TYR 72 Ca -0.13 0.44 -0.33 0.00 3.31 0.00 0.00 57.90 61.19 2whq n TYR 72 Cb 0.61 -2.39 -0.15 0.00 0.49 0.00 0.00 39.34 37.90 2whq n TYR 72 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 2whq s VAL 73 N -1.25 2.68 -0.02 2.97 1.01 -1.26 -4.89 120.40 119.63 2whq s VAL 73 Ca 0.68 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 2whq s VAL 73 Cb -0.43 -2.11 -0.06 0.00 0.00 0.00 0.00 36.38 33.78 2whq s VAL 73 CO 0.52 0.53 1.49 -0.62 0.00 0.00 0.00 175.10 177.02 2whq s ASP 74 N 0.57 6.78 -0.08 3.32 3.68 -1.26 -4.91 116.67 124.77 2whq s ASP 74 Ca -0.10 2.16 0.11 0.00 2.13 0.00 0.00 52.55 56.86 2whq s ASP 74 Cb -0.16 -2.55 0.17 0.00 -1.45 0.00 0.00 42.92 38.93 2whq s ASP 74 CO 0.04 -0.80 1.09 0.35 0.13 0.00 0.00 175.17 175.97 2whq n THR 75 N 4.93 1.13 -0.26 1.71 -2.24 -1.26 -4.85 114.28 113.45 2whq n THR 75 Ca 0.15 -1.35 -0.06 0.00 -2.27 0.00 0.00 64.05 60.51 2whq n THR 75 Cb 0.43 0.06 0.05 0.00 -2.10 0.00 0.00 70.33 68.77 2whq n THR 75 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2whq h LEU 76 N 0.00 0.90 -6.90 3.22 5.85 -2.01 -3.33 115.31 113.03 2whq h LEU 76 Ca 0.00 -0.11 -0.61 0.00 0.84 0.00 0.00 57.88 58.00 2whq h LEU 76 Cb 1.16 -0.23 -0.40 0.00 0.37 0.00 0.00 40.66 41.56 2whq h LEU 76 CO 0.00 0.75 -0.75 -0.31 -0.34 0.00 0.00 178.44 177.79 2whq s TYR 77 N -5.80 2.12 0.00 1.25 2.02 -1.26 -5.10 117.35 110.58 2whq s TYR 77 Ca -0.13 -2.57 -0.35 0.00 -0.37 0.00 0.00 57.07 53.65 2whq s TYR 77 Cb 0.14 -1.87 -0.14 0.00 -0.40 0.00 0.00 41.96 39.69 2whq s TYR 77 CO 0.80 -0.75 1.66 -2.30 -1.57 0.00 0.00 175.55 173.39 2whq n PRO 78 N 3.15 1.84 -0.90 -1.71 -0.02 -1.25 -1.73 135.00 134.38 2whq n PRO 78 Ca 0.14 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 2whq n PRO 78 Cb 0.37 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 2whq n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2whq n GLY 79 N 3.70 0.87 3.69 -1.23 0.00 -1.26 -5.00 105.19 105.96 2whq n GLY 79 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2whq n GLY 79 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2whq s PHE 80 N -3.50 3.07 0.26 1.61 5.36 -0.70 -4.94 117.98 119.12 2whq s PHE 80 Ca 0.00 1.04 -0.03 0.00 -0.96 0.00 0.00 56.93 56.99 2whq s PHE 80 Cb 0.00 -3.53 0.52 0.00 -0.34 0.00 0.00 43.02 39.67 2whq s PHE 80 CO 0.00 -1.83 1.72 1.49 -1.46 0.00 0.00 175.22 175.14 2whq h GLU 81 N 7.55 0.40 0.00 10.12 4.57 -1.94 -1.20 114.58 134.08 2whq h GLU 81 Ca -0.37 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 57.79 2whq h GLU 81 Cb 1.17 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.67 2whq h GLU 81 CO 0.88 0.27 -0.02 0.78 -1.18 0.00 0.00 179.01 179.74 2whq h GLY 82 N 0.41 0.00 0.00 1.92 0.00 -1.92 -1.92 103.07 101.56 2whq h GLY 82 Ca 0.45 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 47.40 2whq h GLY 82 CO -0.45 0.00 -2.43 -1.30 0.00 0.00 0.00 176.54 172.36 2whq n THR 83 N -3.71 1.44 0.10 4.70 -2.24 -0.95 -4.59 114.28 109.02 2whq n THR 83 Ca -0.03 -0.54 0.01 0.00 -2.27 0.00 0.00 64.05 61.22 2whq n THR 83 Cb 0.11 -1.41 0.35 0.00 -2.10 0.00 0.00 70.33 67.28 2whq n THR 83 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2whq h GLU 84 N -0.04 0.27 0.00 -0.78 4.39 -1.02 -1.93 114.58 115.47 2whq h GLU 84 Ca -0.57 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.06 2whq h GLU 84 Cb 1.86 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.48 2whq h GLU 84 CO -0.10 0.44 0.00 0.00 -1.16 0.00 0.00 179.01 178.19 2whq h MET 85 N 0.25 0.00 0.00 2.33 -0.00 -1.59 -0.44 114.93 115.48 2whq h MET 85 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.75 2whq h MET 85 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.04 2whq h MET 85 CO 0.03 0.00 -1.26 0.91 -0.00 0.00 0.00 176.91 176.58 2whq n TRP 86 N -2.35 0.25 -2.04 -0.10 7.02 -0.73 -4.82 117.44 114.67 2whq n TRP 86 Ca -0.00 0.07 -0.32 0.00 -1.02 0.00 0.00 57.50 56.23 2whq n TRP 86 Cb 0.11 -0.46 0.01 0.00 -2.42 0.00 0.00 31.31 28.55 2whq n TRP 86 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 2whq s ASN 87 N -4.12 5.93 0.23 -0.99 0.01 -0.18 -4.68 114.94 111.15 2whq s ASN 87 Ca 0.01 1.71 -0.30 0.00 -0.71 0.00 0.00 52.86 53.57 2whq s ASN 87 Cb 0.14 -2.52 -0.15 0.00 0.41 0.00 0.00 41.25 39.13 2whq s ASN 87 CO 0.84 -1.07 1.14 -2.65 -1.51 0.00 0.00 177.10 173.85 2whq n PRO 88 N -2.13 1.39 -0.16 -0.60 -0.02 -1.26 -4.89 135.00 127.34 2whq n PRO 88 Ca 0.08 0.49 0.07 0.00 -2.02 0.00 0.00 63.50 62.13 2whq n PRO 88 Cb 0.53 -1.96 0.15 0.00 -0.02 0.00 0.00 33.50 32.19 2whq n PRO 88 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2whq n ASN 89 N 1.69 2.72 -4.10 2.55 6.94 -1.26 -4.99 115.26 118.82 2whq n ASN 89 Ca 0.12 -2.78 -0.11 0.00 -0.02 0.00 0.00 54.58 51.79 2whq n ASN 89 Cb 0.29 -0.36 -0.08 0.00 -2.36 0.00 0.00 39.78 37.26 2whq n ASN 89 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2whq s ARG 90 N -2.36 1.34 0.47 -3.83 1.81 -1.26 -5.08 118.95 110.04 2whq s ARG 90 Ca 0.28 -1.51 -0.25 0.00 -1.72 0.00 0.00 55.73 52.53 2whq s ARG 90 Cb 0.23 0.34 -0.08 0.00 -0.45 0.00 0.00 34.95 34.99 2whq s ARG 90 CO 0.05 -0.49 1.41 0.39 -0.68 0.00 0.00 175.30 175.98 2whq n GLU 91 N -0.32 2.11 -2.43 3.54 -0.58 -1.26 -4.47 120.64 117.23 2whq n GLU 91 Ca 0.01 0.76 -0.40 0.00 -0.42 0.00 0.00 57.16 57.11 2whq n GLU 91 Cb 0.64 -2.61 -0.04 0.00 -0.57 0.00 0.00 31.44 28.87 2whq n GLU 91 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2whq s LEU 92 N -2.78 4.51 -0.12 -4.62 1.43 -1.26 -1.18 118.68 114.66 2whq s LEU 92 Ca 0.63 2.31 -0.30 0.00 -1.03 0.00 0.00 54.13 55.75 2whq s LEU 92 Cb -0.45 -3.66 0.09 0.00 0.03 0.00 0.00 46.19 42.20 2whq s LEU 92 CO 0.56 -0.22 0.80 -0.55 0.23 0.00 0.00 176.35 177.17 2whq s SER 93 N -0.87 -0.57 0.43 2.29 0.15 -0.31 -4.88 113.70 109.94 2whq s SER 93 Ca 0.46 0.69 0.22 0.00 0.70 0.00 0.00 55.95 58.02 2whq s SER 93 Cb -0.32 0.57 0.91 0.00 -1.71 0.00 0.00 66.02 65.46 2whq s SER 93 CO 0.42 -0.47 1.83 -0.33 1.20 0.00 0.00 173.24 175.89 2whq h GLU 94 N 3.11 0.00 -5.93 5.44 5.08 -1.94 -2.51 114.58 117.83 2whq h GLU 94 Ca -0.25 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.59 2whq h GLU 94 Cb 1.15 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.32 2whq h GLU 94 CO 0.32 0.27 1.41 0.34 -1.00 0.00 0.00 179.01 180.35 2whq s ASP 95 N -6.31 6.14 0.00 1.42 -1.08 -1.26 -4.33 116.67 111.26 2whq s ASP 95 Ca -0.00 -1.46 0.00 0.00 -0.52 0.00 0.00 52.55 50.57 2whq s ASP 95 Cb 0.11 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 2whq s ASP 95 CO 0.65 -1.85 0.26 0.00 0.52 0.00 0.00 175.17 174.76 2whq s LEU 97 N 0.00 4.41 0.10 0.00 1.43 -1.26 -4.62 118.68 118.75 2whq s LEU 97 Ca 0.00 -2.56 0.05 0.00 -1.03 0.00 0.00 54.13 50.59 2whq s LEU 97 Cb 0.00 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 2whq s LEU 97 CO 0.00 -1.01 -0.12 -0.31 0.23 0.00 0.00 176.35 175.14 2whq s TYR 98 N 3.06 1.19 0.28 0.29 2.02 -1.26 -2.51 117.35 120.41 2whq s TYR 98 Ca 0.47 -0.60 0.05 0.00 -0.37 0.00 0.00 57.07 56.61 2whq s TYR 98 Cb 0.00 -0.64 -0.06 0.00 -0.40 0.00 0.00 41.96 40.86 2whq s TYR 98 CO 0.02 0.06 -0.01 -0.48 -1.57 0.00 0.00 175.55 173.56 2whq s LEU 99 N -2.40 2.32 0.02 -1.29 0.05 0.25 -1.17 118.68 116.46 2whq s LEU 99 Ca 0.06 -1.25 0.06 0.00 0.05 0.00 0.00 54.13 53.05 2whq s LEU 99 Cb -0.04 -0.46 -0.02 0.00 -2.05 0.00 0.00 46.19 43.62 2whq s LEU 99 CO 0.01 -0.47 -0.17 0.20 -0.55 0.00 0.00 176.35 175.37 2whq s ASN 100 N -3.41 2.06 -0.08 1.48 0.01 0.20 -1.30 114.94 113.90 2whq s ASN 100 Ca 0.31 -0.43 0.01 0.00 -0.71 0.00 0.00 52.86 52.04 2whq s ASN 100 Cb 0.06 -0.18 0.02 0.00 0.41 0.00 0.00 41.25 41.56 2whq s ASN 100 CO 0.12 0.14 -0.09 -0.69 -1.51 0.00 0.00 177.10 175.07 2whq s VAL 101 N -0.68 0.97 -0.08 1.60 1.01 0.31 -1.51 120.40 122.02 2whq s VAL 101 Ca 0.05 -0.33 -0.00 0.00 0.00 0.00 0.00 61.98 61.70 2whq s VAL 101 Cb -0.08 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 2whq s VAL 101 CO 0.01 0.33 -0.05 0.26 0.00 0.00 0.00 175.10 175.65 2whq s TRP 102 N 1.12 2.98 0.07 5.22 0.51 0.21 -0.21 118.94 128.84 2whq s TRP 102 Ca -0.06 -0.00 -0.01 0.00 -2.12 0.00 0.00 56.10 53.91 2whq s TRP 102 Cb -0.14 -1.76 -0.04 0.00 -0.81 0.00 0.00 33.47 30.72 2whq s TRP 102 CO -0.01 0.30 -0.01 0.95 -0.51 0.00 0.00 176.95 177.66 2whq s THR 103 N -0.66 0.22 0.62 2.01 -4.23 -0.47 -0.82 115.64 112.30 2whq s THR 103 Ca 0.10 -1.84 -0.19 0.00 -1.18 0.00 0.00 61.69 58.58 2whq s THR 103 Cb -0.12 -1.64 -0.02 0.00 1.34 0.00 0.00 72.50 72.06 2whq s THR 103 CO 0.02 -0.88 1.29 -2.65 -0.54 0.00 0.00 174.62 171.85 2whq n PRO 104 N 0.06 1.23 -4.06 3.99 -0.02 -1.26 -1.40 135.00 133.53 2whq n PRO 104 Ca -0.12 0.47 -0.33 0.00 -2.02 0.00 0.00 63.50 61.50 2whq n PRO 104 Cb 0.62 -2.52 -0.15 0.00 -0.02 0.00 0.00 33.50 31.43 2whq n PRO 104 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2whq s TYR 105 N -1.37 2.92 0.88 6.00 5.04 -1.25 -2.77 117.35 126.80 2whq s TYR 105 Ca 0.80 -1.67 -0.11 0.00 -2.44 0.00 0.00 57.07 53.65 2whq s TYR 105 Cb -0.39 -1.96 0.12 0.00 0.35 0.00 0.00 41.96 40.07 2whq s TYR 105 CO 0.43 -0.78 1.09 -1.25 -1.34 0.00 0.00 175.55 173.70 2whq s PRO 106 N 1.29 1.43 0.36 4.97 0.05 -1.26 -4.74 135.00 137.10 2whq s PRO 106 Ca 0.02 0.81 -0.26 0.00 0.05 0.00 0.00 61.00 61.62 2whq s PRO 106 Cb -0.15 -1.83 -0.09 0.00 0.05 0.00 0.00 34.50 32.48 2whq s PRO 106 CO -0.09 -2.12 1.10 -0.98 0.05 0.00 0.00 177.00 174.96 2whq s ARG 107 N -4.97 4.28 0.09 4.56 1.70 -1.12 -4.87 118.95 118.63 2whq s ARG 107 Ca 0.63 1.70 -0.35 0.00 -0.47 0.00 0.00 55.73 57.23 2whq s ARG 107 Cb -0.17 -2.78 -0.18 0.00 -0.57 0.00 0.00 34.95 31.25 2whq s ARG 107 CO 0.56 -0.09 0.95 -2.30 -1.08 0.00 0.00 175.30 173.35 2whq n PRO 108 N 0.35 0.28 0.09 3.89 -0.02 -1.26 -4.89 135.00 133.44 2whq n PRO 108 Ca 0.03 0.10 -0.05 0.00 -2.02 0.00 0.00 63.50 61.56 2whq n PRO 108 Cb 0.47 -1.47 0.11 0.00 -0.02 0.00 0.00 33.50 32.60 2whq n PRO 108 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2whq h ALA 109 N 2.59 0.83 -2.84 3.55 0.00 -1.93 -3.45 119.26 118.01 2whq h ALA 109 Ca -0.43 -0.56 -0.57 0.00 0.00 0.00 0.00 54.91 53.35 2whq h ALA 109 Cb 1.41 -0.08 -0.17 0.00 0.00 0.00 0.00 17.79 18.94 2whq h ALA 109 CO 0.64 0.75 -0.79 -1.54 0.00 0.00 0.00 179.25 178.31 2whq s SER 110 N -6.90 3.05 0.05 0.00 1.04 -1.26 -5.09 113.70 104.60 2whq s SER 110 Ca -0.04 -0.90 -0.36 0.00 0.48 0.00 0.00 55.95 55.13 2whq s SER 110 Cb 0.12 -0.21 -0.15 0.00 0.10 0.00 0.00 66.02 65.88 2whq s SER 110 CO 0.80 0.02 1.51 -2.65 0.98 0.00 0.00 173.24 173.90 2whq n PRO 111 N 0.09 1.57 -4.77 4.02 -0.02 -1.26 -4.90 135.00 129.73 2whq n PRO 111 Ca -0.11 0.57 -0.33 0.00 -2.02 0.00 0.00 63.50 61.60 2whq n PRO 111 Cb 0.57 -2.27 -0.12 0.00 -0.02 0.00 0.00 33.50 31.65 2whq n PRO 111 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2whq s THR 112 N 1.30 3.33 0.28 3.45 2.01 -0.30 -4.69 115.64 121.01 2whq s THR 112 Ca 0.85 -0.62 -0.28 0.00 0.31 0.00 0.00 61.69 61.95 2whq s THR 112 Cb -0.85 -2.34 -0.14 0.00 0.01 0.00 0.00 72.50 69.17 2whq s THR 112 CO 0.46 0.59 0.93 -2.65 -0.69 0.00 0.00 174.62 173.26 2whq n PRO 113 N 2.40 1.14 -4.57 4.92 -0.02 -1.26 -0.15 135.00 137.45 2whq n PRO 113 Ca -0.18 0.40 -0.33 0.00 -2.02 0.00 0.00 63.50 61.37 2whq n PRO 113 Cb 0.52 -1.71 -0.13 0.00 -0.02 0.00 0.00 33.50 32.17 2whq n PRO 113 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2whq s VAL 114 N -1.05 3.58 -0.13 -1.45 1.01 0.24 -2.76 120.40 119.85 2whq s VAL 114 Ca 0.59 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 2whq s VAL 114 Cb -0.73 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 2whq s VAL 114 CO 0.59 0.53 -0.05 -0.76 0.00 0.00 0.00 175.10 175.41 2whq s LEU 115 N 0.08 3.23 -0.25 3.92 1.02 -0.28 -0.57 118.68 125.83 2whq s LEU 115 Ca -0.02 -0.09 -0.01 0.00 0.02 0.00 0.00 54.13 54.02 2whq s LEU 115 Cb -0.14 -1.75 0.03 0.00 0.02 0.00 0.00 46.19 44.35 2whq s LEU 115 CO 0.03 0.23 -0.08 -0.63 0.02 0.00 0.00 176.35 175.93 2whq s ILE 116 N -0.01 2.73 0.07 -0.59 1.01 0.35 -0.47 121.20 124.28 2whq s ILE 116 Ca 0.01 -1.10 -0.22 0.00 0.00 0.00 0.00 60.65 59.34 2whq s ILE 116 Cb -0.13 -2.40 -0.06 0.00 0.01 0.00 0.00 42.46 39.87 2whq s ILE 116 CO 0.03 0.19 0.65 0.86 0.00 0.00 0.00 174.94 176.67 2whq s TRP 117 N 1.29 3.79 -0.22 3.97 -0.11 0.73 -0.80 118.94 127.59 2whq s TRP 117 Ca -0.01 1.37 -0.00 0.00 1.22 0.00 0.00 56.10 58.68 2whq s TRP 117 Cb -0.17 -2.64 0.06 0.00 -1.50 0.00 0.00 33.47 29.22 2whq s TRP 117 CO -0.05 0.47 -0.03 0.42 -4.62 0.00 0.00 176.95 173.13 2whq s ILE 118 N -0.74 1.27 0.82 5.86 1.01 -0.38 -3.86 121.20 125.19 2whq s ILE 118 Ca 0.32 -1.04 -0.11 0.00 0.00 0.00 0.00 60.65 59.83 2whq s ILE 118 Cb -0.20 -1.59 0.09 0.00 0.01 0.00 0.00 42.46 40.76 2whq s ILE 118 CO 0.21 -0.12 1.10 -0.72 0.00 0.00 0.00 174.94 175.42 2whq s TYR 119 N 1.52 2.31 0.00 3.97 -0.85 -1.26 -3.50 117.35 119.53 2whq s TYR 119 Ca -0.04 1.57 0.00 0.00 -0.52 0.00 0.00 57.07 58.08 2whq s TYR 119 Cb -0.18 -3.13 0.00 0.00 0.38 0.00 0.00 41.96 39.03 2whq s TYR 119 CO -0.07 -2.13 0.00 0.41 -1.52 0.00 0.00 175.55 172.25 2whq n GLY 120 N -0.84 3.38 0.00 5.49 0.00 -1.18 -2.80 105.19 109.24 2whq n GLY 120 Ca 0.09 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 44.04 2whq n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2whq n GLY 121 N 5.00 1.29 2.48 -0.02 0.00 -1.26 -4.30 105.19 108.38 2whq n GLY 121 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2whq n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2whq n GLY 122 N 0.00 0.54 2.79 -0.02 0.00 -1.26 -1.88 105.19 105.36 2whq n GLY 122 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2whq n GLY 122 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2whq n PHE 123 N -2.52 0.00 0.17 1.61 3.72 -1.26 -4.79 117.46 114.39 2whq n PHE 123 Ca -0.03 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.39 2whq n PHE 123 Cb 0.30 -0.82 0.01 0.00 -0.94 0.00 0.00 39.48 38.03 2whq n PHE 123 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 2whq n TYR 124 N -2.36 0.00 -3.83 1.38 0.18 -0.88 0.08 117.16 111.73 2whq n TYR 124 Ca 0.00 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.71 2whq n TYR 124 Cb 0.15 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.12 2whq n TYR 124 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 2whq s SER 125 N -0.58 -0.09 0.00 9.48 1.04 -0.79 -4.03 113.70 118.73 2whq s SER 125 Ca 0.04 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.59 2whq s SER 125 Cb 0.03 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.91 2whq s SER 125 CO 0.07 -1.46 0.00 0.61 0.98 0.00 0.00 173.24 173.44 2whq n GLY 126 N -0.52 2.44 3.57 7.32 0.00 -1.26 -4.20 105.19 112.54 2whq n GLY 126 Ca -0.06 -2.08 -0.12 0.00 0.00 0.00 0.00 46.02 43.76 2whq n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2whq s ALA 127 N -2.23 -1.91 -1.50 4.61 0.00 -1.26 -4.69 121.76 114.78 2whq s ALA 127 Ca 0.00 1.56 0.30 0.00 0.00 0.00 0.00 51.96 53.82 2whq s ALA 127 Cb 0.00 -0.63 1.53 0.00 0.00 0.00 0.00 23.12 24.02 2whq s ALA 127 CO 0.00 -0.32 2.05 0.00 0.00 0.00 0.00 175.76 177.49 2whq n ALA 128 N 0.85 2.48 1.27 0.00 0.00 -1.26 -3.53 120.51 120.32 2whq n ALA 128 Ca -0.12 -0.15 0.13 0.00 0.00 0.00 0.00 53.44 53.31 2whq n ALA 128 Cb 0.58 -1.48 0.36 0.00 0.00 0.00 0.00 19.45 18.90 2whq n ALA 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2whq n SER 129 N -1.25 1.42 -4.76 0.00 3.41 -1.26 -4.85 113.62 106.33 2whq n SER 129 Ca 0.15 -1.22 -0.40 0.00 -0.26 0.00 0.00 58.87 57.15 2whq n SER 129 Cb 0.22 0.13 0.02 0.00 -0.26 0.00 0.00 64.21 64.32 2whq n SER 129 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2whq n LEU 130 N -0.20 5.21 -0.30 1.04 4.77 -1.23 -4.91 117.00 121.38 2whq n LEU 130 Ca 0.14 1.09 0.08 0.00 -0.03 0.00 0.00 56.01 57.28 2whq n LEU 130 Cb 0.38 -1.60 0.23 0.00 -2.33 0.00 0.00 43.42 40.11 2whq n LEU 130 CO 0.23 -0.26 1.11 0.44 -1.33 0.00 0.00 177.39 177.58 2whq h ASP 131 N 2.09 0.56 0.21 -1.43 3.32 -1.92 -1.37 116.42 117.87 2whq h ASP 131 Ca -0.51 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2whq h ASP 131 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2whq h ASP 131 CO 0.60 0.23 0.00 1.33 -1.72 0.00 0.00 179.24 179.68 2whq n VAL 132 N -4.86 0.59 -0.47 -1.35 0.24 -1.26 -1.78 118.33 109.45 2whq n VAL 132 Ca 0.18 0.15 0.08 0.00 -2.04 0.00 0.00 64.34 62.70 2whq n VAL 132 Cb 0.45 -0.94 0.25 0.00 -1.47 0.00 0.00 33.84 32.12 2whq n VAL 132 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2whq n TYR 133 N -1.25 0.89 -1.76 6.34 4.01 -0.52 -4.51 117.16 120.37 2whq n TYR 133 Ca 0.06 -0.60 -0.43 0.00 -0.16 0.00 0.00 57.90 56.78 2whq n TYR 133 Cb 0.09 -0.13 -0.03 0.00 -0.31 0.00 0.00 39.34 38.96 2whq n TYR 133 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2whq s ASP 134 N -1.14 6.10 0.00 7.72 -1.08 -0.73 -4.88 116.67 122.65 2whq s ASP 134 Ca 0.38 2.16 0.17 0.00 -0.52 0.00 0.00 52.55 54.74 2whq s ASP 134 Cb 0.23 -2.52 0.72 0.00 -1.46 0.00 0.00 42.92 39.89 2whq s ASP 134 CO 0.19 -1.41 1.50 0.61 0.52 0.00 0.00 175.17 176.59 2whq n GLY 135 N 4.97 -0.16 0.19 2.66 0.00 -1.26 -4.21 105.19 107.38 2whq n GLY 135 Ca 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2whq n GLY 135 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2whq h ARG 136 N 1.33 0.11 -0.12 1.61 0.11 -1.89 -2.52 114.38 113.01 2whq h ARG 136 Ca 0.00 -0.05 -0.09 0.00 0.10 0.00 0.00 59.98 59.95 2whq h ARG 136 Cb 0.30 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.37 2whq h ARG 136 CO 0.00 0.49 -0.26 0.74 0.10 0.00 0.00 179.97 181.04 2whq h PHE 137 N 0.09 0.49 -0.62 4.08 0.04 -1.77 0.24 116.94 119.48 2whq h PHE 137 Ca 0.01 -0.18 -0.00 0.00 2.80 0.00 0.00 57.97 60.59 2whq h PHE 137 Cb 0.75 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.78 2whq h PHE 137 CO 0.01 0.88 0.37 -0.07 -0.60 0.00 0.00 178.31 178.89 2whq h LEU 138 N -0.03 0.75 -0.15 1.54 3.38 -1.70 0.46 115.31 119.56 2whq h LEU 138 Ca 0.00 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2whq h LEU 138 Cb 0.86 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2whq h LEU 138 CO 0.06 0.60 0.07 0.00 0.09 0.00 0.00 178.44 179.26 2whq h ALA 139 N 1.19 0.20 0.23 1.53 0.00 -1.40 -1.71 119.26 119.29 2whq h ALA 139 Ca 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2whq h ALA 139 Cb -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2whq h ALA 139 CO -0.04 -0.24 -0.11 0.37 0.00 0.00 0.00 179.25 179.23 2whq h GLN 140 N 0.12 -0.29 -0.06 0.00 -0.00 -0.77 -1.31 115.11 112.79 2whq h GLN 140 Ca 0.05 0.02 -0.19 0.00 -0.00 0.00 0.00 58.65 58.53 2whq h GLN 140 Cb 0.12 0.07 0.01 0.00 0.00 0.00 0.00 27.48 27.68 2whq h GLN 140 CO -0.01 0.07 -0.70 0.28 0.00 0.00 0.00 178.83 178.47 2whq h VAL 141 N -0.73 1.35 -0.11 2.39 2.07 -1.00 -3.32 116.25 116.90 2whq h VAL 141 Ca -0.03 -2.02 0.00 0.00 0.82 0.00 0.00 66.70 65.47 2whq h VAL 141 Cb 0.50 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 2whq h VAL 141 CO 0.05 0.61 0.00 -0.62 0.02 0.00 0.00 177.57 177.63 2whq n GLU 142 N -4.09 2.06 -1.91 1.57 -0.58 -0.65 -4.97 120.64 112.07 2whq n GLU 142 Ca -0.09 -1.87 -0.19 0.00 -0.42 0.00 0.00 57.16 54.58 2whq n GLU 142 Cb 0.71 -1.42 -0.05 0.00 -0.57 0.00 0.00 31.44 30.11 2whq n GLU 142 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2whq n GLY 143 N 1.23 0.88 3.84 0.62 0.00 -0.50 -4.97 105.19 106.29 2whq n GLY 143 Ca 0.14 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 2whq n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2whq s ALA 144 N -2.82 3.13 -0.26 4.61 0.00 -1.18 -4.80 121.76 120.45 2whq s ALA 144 Ca 0.00 0.23 -0.17 0.00 0.00 0.00 0.00 51.96 52.02 2whq s ALA 144 Cb 0.00 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 2whq s ALA 144 CO 0.00 0.09 0.48 0.08 0.00 0.00 0.00 175.76 176.41 2whq s VAL 145 N -2.24 5.10 -0.14 0.00 1.01 -1.11 -4.03 120.40 118.98 2whq s VAL 145 Ca 0.59 0.81 0.00 0.00 0.00 0.00 0.00 61.98 63.38 2whq s VAL 145 Cb -0.10 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 2whq s VAL 145 CO 0.19 0.11 -0.15 -0.22 0.00 0.00 0.00 175.10 175.04 2whq s LEU 146 N 2.17 2.56 0.00 3.92 0.20 -0.00 -1.13 118.68 126.41 2whq s LEU 146 Ca 0.20 -0.40 0.08 0.00 0.69 0.00 0.00 54.13 54.70 2whq s LEU 146 Cb -0.16 -1.57 -0.02 0.00 -0.43 0.00 0.00 46.19 44.01 2whq s LEU 146 CO 0.09 0.14 -0.26 -0.69 -0.29 0.00 0.00 176.35 175.34 2whq s VAL 147 N 0.52 2.10 -0.00 1.68 1.01 0.37 -0.62 120.40 125.46 2whq s VAL 147 Ca -0.10 -1.19 -0.02 0.00 0.00 0.00 0.00 61.98 60.67 2whq s VAL 147 Cb -0.16 -1.75 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 2whq s VAL 147 CO 0.04 0.51 0.04 -0.94 0.00 0.00 0.00 175.10 174.75 2whq s SER 148 N -0.81 0.05 0.13 3.32 1.04 -0.57 -0.19 113.70 116.66 2whq s SER 148 Ca 0.11 -0.12 0.09 0.00 0.48 0.00 0.00 55.95 56.51 2whq s SER 148 Cb -0.10 0.11 -0.04 0.00 0.10 0.00 0.00 66.02 66.10 2whq s SER 148 CO 0.00 -0.15 -0.21 0.00 0.98 0.00 0.00 173.24 173.86 2whq s MET 149 N -0.60 1.22 0.35 4.02 0.23 -1.25 0.58 119.30 123.84 2whq s MET 149 Ca -0.07 -1.27 -0.23 0.00 -1.03 0.00 0.00 55.69 53.10 2whq s MET 149 Cb -0.04 -1.47 -0.10 0.00 -1.53 0.00 0.00 34.83 31.69 2whq s MET 149 CO -0.00 0.33 0.91 -0.80 -2.03 0.00 0.00 175.02 173.43 2whq s ASN 150 N -2.16 7.13 0.03 -1.18 0.01 -0.32 -4.56 114.94 113.89 2whq s ASN 150 Ca 0.11 1.70 0.00 0.00 -0.71 0.00 0.00 52.86 53.96 2whq s ASN 150 Cb -0.09 -2.53 -0.02 0.00 0.41 0.00 0.00 41.25 39.02 2whq s ASN 150 CO 0.05 -0.17 -0.04 -0.72 -1.51 0.00 0.00 177.10 174.72 2whq s TYR 151 N -1.83 0.39 0.27 2.20 1.13 -1.26 -4.53 117.35 113.73 2whq s TYR 151 Ca 0.54 -0.59 -0.30 0.00 -1.41 0.00 0.00 57.07 55.31 2whq s TYR 151 Cb -0.14 -0.26 -0.11 0.00 -1.10 0.00 0.00 41.96 40.34 2whq s TYR 151 CO 0.19 -0.18 1.52 1.03 -2.51 0.00 0.00 175.55 175.60 2whq s ARG 152 N -1.79 4.19 0.48 -3.49 0.52 -1.26 -4.85 118.95 112.73 2whq s ARG 152 Ca -0.12 2.46 0.04 0.00 -0.52 0.00 0.00 55.73 57.59 2whq s ARG 152 Cb -0.08 -3.06 -0.03 0.00 0.52 0.00 0.00 34.95 32.31 2whq s ARG 152 CO -0.02 -0.54 0.11 0.14 0.02 0.00 0.00 175.30 175.02 2whq s VAL 153 N -0.02 1.66 0.00 3.52 -7.23 -1.26 -4.18 120.40 112.88 2whq s VAL 153 Ca 0.61 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 2whq s VAL 153 Cb -0.45 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 33.98 2whq s VAL 153 CO 0.46 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.86 2whq n GLY 154 N -1.29 1.21 0.29 2.32 0.00 0.11 -1.99 105.19 105.85 2whq n GLY 154 Ca -0.10 -0.57 0.03 0.00 0.00 0.00 0.00 46.02 45.39 2whq n GLY 154 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2whq h THR 155 N 0.00 0.85 -0.51 2.61 1.35 -1.89 0.15 112.91 115.47 2whq h THR 155 Ca 0.00 -0.23 0.08 0.00 -0.55 0.00 0.00 66.41 65.71 2whq h THR 155 Cb 0.00 0.11 -0.03 0.00 -1.73 0.00 0.00 68.15 66.50 2whq h THR 155 CO 0.00 0.12 0.35 -0.26 -0.25 0.00 0.00 175.52 175.48 2whq h PHE 156 N 0.68 0.36 0.00 4.73 0.04 -1.87 -1.42 116.94 119.46 2whq h PHE 156 Ca 0.39 0.01 -0.11 0.00 2.80 0.00 0.00 57.97 61.05 2whq h PHE 156 Cb 0.41 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.43 2whq h PHE 156 CO -0.09 0.18 -2.11 0.41 -0.60 0.00 0.00 178.31 176.10 2whq n GLY 157 N -1.53 -0.99 0.00 -1.45 0.00 -0.76 -4.18 105.19 96.28 2whq n GLY 157 Ca 0.08 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2whq n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2whq n PHE 158 N -2.40 0.00 -1.89 1.61 3.72 0.46 -0.73 117.46 118.22 2whq n PHE 158 Ca -0.13 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.86 2whq n PHE 158 Cb 0.75 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.26 2whq n PHE 158 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2whq s LEU 159 N -0.04 4.37 -0.05 4.37 0.20 -0.56 -4.49 118.68 122.49 2whq s LEU 159 Ca 0.00 2.77 -0.02 0.00 0.69 0.00 0.00 54.13 57.57 2whq s LEU 159 Cb 0.00 -3.62 0.03 0.00 -0.43 0.00 0.00 46.19 42.18 2whq s LEU 159 CO 0.00 -0.83 0.11 0.00 -0.29 0.00 0.00 176.35 175.34 2whq s ALA 160 N 0.37 -0.16 -0.68 5.97 0.00 -1.26 -4.15 121.76 121.85 2whq s ALA 160 Ca 0.65 0.54 -0.04 0.00 0.00 0.00 0.00 51.96 53.11 2whq s ALA 160 Cb -0.45 -0.37 0.17 0.00 0.00 0.00 0.00 23.12 22.47 2whq s ALA 160 CO 0.41 -0.13 0.51 -0.51 0.00 0.00 0.00 175.76 176.04 2whq s LEU 161 N 1.05 5.42 0.27 0.00 1.43 0.28 -3.95 118.68 123.17 2whq s LEU 161 Ca -0.08 -2.95 -0.31 0.00 -1.03 0.00 0.00 54.13 49.76 2whq s LEU 161 Cb -0.11 -1.89 -0.13 0.00 0.03 0.00 0.00 46.19 44.09 2whq s LEU 161 CO -0.05 -0.37 1.46 -2.65 0.23 0.00 0.00 176.35 174.98 2whq n PRO 162 N 3.39 2.26 0.00 1.29 -0.02 -1.26 -0.19 135.00 140.47 2whq n PRO 162 Ca 0.10 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 2whq n PRO 162 Cb 0.39 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 2whq n PRO 162 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2whq n GLY 163 N 2.04 3.15 3.77 -1.23 0.00 -1.26 -5.05 105.19 106.61 2whq n GLY 163 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 2whq n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2whq s SER 164 N -0.47 4.59 0.03 1.61 1.04 0.73 -4.96 113.70 116.28 2whq s SER 164 Ca 0.00 1.82 -0.02 0.00 0.48 0.00 0.00 55.95 58.23 2whq s SER 164 Cb 0.00 -2.52 -0.27 0.00 0.10 0.00 0.00 66.02 63.33 2whq s SER 164 CO 0.00 -1.98 0.97 -0.09 0.98 0.00 0.00 173.24 173.13 2whq h ARG 165 N -1.03 0.23 -0.00 4.02 2.43 -1.97 -3.35 114.38 114.71 2whq h ARG 165 Ca -0.44 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.34 2whq h ARG 165 Cb 1.23 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.93 2whq h ARG 165 CO 0.52 1.12 -0.89 -0.85 -1.51 0.00 0.00 179.97 178.35 2whq n GLU 166 N -3.46 0.59 -3.15 0.20 0.00 -1.26 -4.44 120.64 109.13 2whq n GLU 166 Ca -0.13 -0.06 -0.21 0.00 0.00 0.00 0.00 57.16 56.76 2whq n GLU 166 Cb 1.03 -1.42 -0.04 0.00 0.00 0.00 0.00 31.44 31.00 2whq n GLU 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2whq n ALA 167 N -1.37 1.95 0.31 -1.84 0.00 -1.26 -4.04 120.51 114.26 2whq n ALA 167 Ca 0.04 -3.22 0.17 0.00 0.00 0.00 0.00 53.44 50.43 2whq n ALA 167 Cb 0.31 -0.89 0.73 0.00 0.00 0.00 0.00 19.45 19.61 2whq n ALA 167 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2whq h PRO 168 N 3.64 0.00 0.00 0.00 0.13 -1.76 0.80 132.00 134.81 2whq h PRO 168 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2whq h PRO 168 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2whq h PRO 168 CO 0.45 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.63 2whq n GLY 169 N -0.21 -0.15 2.42 1.56 0.00 -1.26 -4.70 105.19 102.85 2whq n GLY 169 Ca 0.00 -1.74 -0.18 0.00 0.00 0.00 0.00 46.02 44.10 2whq n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2whq n ASN 170 N -1.10 -4.85 0.13 1.61 3.02 -1.26 -4.86 115.26 107.96 2whq n ASN 170 Ca 0.00 0.44 -0.01 0.00 -0.03 0.00 0.00 54.58 54.98 2whq n ASN 170 Cb 0.00 -4.29 0.25 0.00 -0.61 0.00 0.00 39.78 35.14 2whq n ASN 170 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2whq h VAL 171 N 0.00 1.33 -0.67 2.41 -1.51 -1.82 -0.77 116.25 115.21 2whq h VAL 171 Ca -0.36 -1.57 0.05 0.00 -1.23 0.00 0.00 66.70 63.58 2whq h VAL 171 Cb 1.19 1.79 -0.04 0.00 -2.13 0.00 0.00 31.29 32.09 2whq h VAL 171 CO 0.53 0.46 0.44 1.23 -1.23 0.00 0.00 177.57 179.00 2whq h GLY 172 N 1.32 0.88 1.54 5.19 0.00 -1.14 0.91 103.07 111.77 2whq h GLY 172 Ca 0.01 -0.29 -0.19 0.00 0.00 0.00 0.00 47.33 46.86 2whq h GLY 172 CO 0.06 0.23 -0.73 1.41 0.00 0.00 0.00 176.54 177.52 2whq h LEU 173 N 0.72 0.53 -1.54 3.11 3.38 -1.45 -2.87 115.31 117.20 2whq h LEU 173 Ca 0.28 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2whq h LEU 173 Cb 0.19 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2whq h LEU 173 CO -0.09 1.09 0.27 -0.07 0.09 0.00 0.00 178.44 179.74 2whq h LEU 174 N 0.31 0.51 -0.19 1.67 3.38 -0.59 -0.60 115.31 119.80 2whq h LEU 174 Ca -0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2whq h LEU 174 Cb 1.31 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2whq h LEU 174 CO 0.13 0.39 0.10 0.44 0.09 0.00 0.00 178.44 179.58 2whq h ASP 175 N 0.60 0.24 -0.34 -0.43 3.32 -0.65 0.05 116.42 119.20 2whq h ASP 175 Ca 0.16 -0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.15 2whq h ASP 175 Cb -0.04 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 2whq h ASP 175 CO -0.03 0.27 0.09 1.56 -1.72 0.00 0.00 179.24 179.42 2whq h GLN 176 N 0.19 0.22 -0.80 3.56 4.20 -1.25 -1.65 115.11 119.57 2whq h GLN 176 Ca 0.07 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 2whq h GLN 176 Cb 0.09 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 2whq h GLN 176 CO -0.01 0.15 0.47 -0.09 -0.67 0.00 0.00 178.83 178.68 2whq h ARG 177 N 0.23 1.09 -0.91 1.46 2.43 -0.82 -0.47 114.38 117.39 2whq h ARG 177 Ca 0.16 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2whq h ARG 177 Cb 0.16 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 2whq h ARG 177 CO -0.19 0.78 0.53 1.25 -1.51 0.00 0.00 179.97 180.83 2whq h LEU 178 N 1.10 1.11 -0.62 3.80 5.85 -0.53 -0.10 115.31 125.91 2whq h LEU 178 Ca 0.29 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 2whq h LEU 178 Cb -0.03 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.69 2whq h LEU 178 CO -0.05 0.87 0.27 0.00 -0.34 0.00 0.00 178.44 179.19 2whq h ALA 179 N 1.29 0.81 -0.73 1.25 0.00 -0.73 -0.24 119.26 120.91 2whq h ALA 179 Ca 0.32 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.15 2whq h ALA 179 Cb -0.02 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.46 2whq h ALA 179 CO -0.06 0.40 0.41 -0.07 0.00 0.00 0.00 179.25 179.93 2whq h LEU 180 N 0.86 0.60 -0.64 0.00 4.07 -0.47 -0.69 115.31 119.04 2whq h LEU 180 Ca 0.21 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.19 2whq h LEU 180 Cb 0.16 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 41.79 2whq h LEU 180 CO -0.02 0.37 0.33 1.56 -1.08 0.00 0.00 178.44 179.60 2whq h GLN 181 N 0.73 0.91 -0.62 1.13 4.20 -0.60 -2.13 115.11 118.74 2whq h GLN 181 Ca 0.33 -0.12 0.03 0.00 0.06 0.00 0.00 58.65 58.95 2whq h GLN 181 Cb 0.24 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 2whq h GLN 181 CO -0.20 0.71 0.38 2.35 -0.67 0.00 0.00 178.83 181.39 2whq h TRP 182 N 0.88 0.70 -0.51 2.96 7.01 -0.47 -1.20 115.95 125.33 2whq h TRP 182 Ca 0.22 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.28 2whq h TRP 182 Cb 0.08 -0.23 -0.04 0.00 -2.10 0.00 0.00 29.16 26.87 2whq h TRP 182 CO -0.00 0.39 0.28 0.28 -2.79 0.00 0.00 178.44 176.60 2whq h VAL 183 N 0.73 1.00 -0.55 2.65 2.07 -0.83 -0.81 116.25 120.51 2whq h VAL 183 Ca 0.25 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.64 2whq h VAL 183 Cb 0.04 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 2whq h VAL 183 CO -0.11 0.10 0.26 1.56 0.02 0.00 0.00 177.57 179.39 2whq h GLN 184 N 0.56 0.47 0.00 1.57 1.08 -0.65 -0.56 115.11 117.58 2whq h GLN 184 Ca 0.22 -0.03 -0.08 0.00 -1.45 0.00 0.00 58.65 57.31 2whq h GLN 184 Cb 0.08 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 2whq h GLN 184 CO -0.13 0.31 -0.36 0.93 -0.95 0.00 0.00 178.83 178.63 2whq h GLU 185 N 0.48 0.00 0.00 1.46 5.08 -0.89 -3.40 114.58 117.31 2whq h GLU 185 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2whq h GLU 185 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2whq h GLU 185 CO -0.20 0.36 -0.47 0.09 -1.00 0.00 0.00 179.01 177.79 2whq n ASN 186 N -3.22 2.35 0.23 1.42 3.02 -0.34 -4.81 115.26 113.91 2whq n ASN 186 Ca 0.02 -0.09 0.08 0.00 -0.03 0.00 0.00 54.58 54.56 2whq n ASN 186 Cb 0.66 0.65 0.55 0.00 -0.61 0.00 0.00 39.78 41.02 2whq n ASN 186 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2whq h ILE 187 N 0.00 0.84 -0.26 2.41 6.09 -1.26 -0.96 117.51 124.38 2whq h ILE 187 Ca 0.00 -0.87 0.07 0.00 -1.37 0.00 0.00 64.86 62.69 2whq h ILE 187 Cb 0.00 1.52 -0.01 0.00 0.47 0.00 0.00 36.82 38.80 2whq h ILE 187 CO 0.00 0.22 0.19 0.00 -3.07 0.00 0.00 178.15 175.49 2whq h ALA 188 N 1.78 2.21 0.00 0.18 0.00 -1.79 0.05 119.26 121.69 2whq h ALA 188 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2whq h ALA 188 Cb 0.50 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2whq h ALA 188 CO 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 179.25 178.96 2whq h ALA 189 N 1.86 1.00 -0.22 0.00 0.00 -1.47 -0.79 119.26 119.65 2whq h ALA 189 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2whq h ALA 189 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2whq h ALA 189 CO -0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 2whq n PHE 190 N -2.76 0.26 -0.58 0.00 3.01 -0.50 -4.91 117.46 111.98 2whq n PHE 190 Ca 0.00 -0.14 0.00 0.00 1.01 0.00 0.00 57.45 58.32 2whq n PHE 190 Cb 0.22 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 2whq n PHE 190 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2whq n GLY 191 N 1.32 0.74 3.81 1.37 0.00 -0.30 -4.47 105.19 107.66 2whq n GLY 191 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 2whq n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2whq s GLY 192 N -1.83 2.27 -0.47 -0.02 0.00 -0.11 -1.15 107.32 106.00 2whq s GLY 192 Ca 0.00 0.43 -0.14 0.00 0.00 0.00 0.00 44.72 45.01 2whq s GLY 192 CO 0.00 0.74 0.38 -0.35 0.00 0.00 0.00 173.10 173.87 2whq s ASP 193 N -2.52 6.06 0.43 1.64 -1.08 0.79 -3.46 116.67 118.53 2whq s ASP 193 Ca 0.64 -1.41 0.30 0.00 -0.52 0.00 0.00 52.55 51.55 2whq s ASP 193 Cb -0.14 -2.15 1.43 0.00 -1.46 0.00 0.00 42.92 40.59 2whq s ASP 193 CO 0.28 -0.65 1.90 -0.65 0.52 0.00 0.00 175.17 176.57 2whq h PRO 194 N 8.71 0.00 -0.05 4.34 0.11 -1.89 0.50 132.00 143.72 2whq h PRO 194 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2whq h PRO 194 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2whq h PRO 194 CO 0.87 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 177.33 2whq n MET 195 N -2.61 1.40 -3.51 1.05 2.81 -1.26 -4.42 117.12 110.57 2whq n MET 195 Ca -0.00 -0.58 -0.29 0.00 -1.81 0.00 0.00 57.70 55.02 2whq n MET 195 Cb 0.16 -1.43 -0.12 0.00 -0.71 0.00 0.00 33.22 31.13 2whq n MET 195 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2whq s SER 196 N -1.81 2.78 -0.11 7.83 0.15 0.17 -4.96 113.70 117.75 2whq s SER 196 Ca 0.37 -2.56 0.03 0.00 0.70 0.00 0.00 55.95 54.49 2whq s SER 196 Cb 0.19 -0.58 0.00 0.00 -1.71 0.00 0.00 66.02 63.92 2whq s SER 196 CO 0.30 -0.26 -0.22 -0.69 1.20 0.00 0.00 173.24 173.58 2whq s VAL 197 N 0.57 1.95 -0.16 4.45 1.01 -1.26 -0.59 120.40 126.38 2whq s VAL 197 Ca 0.22 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.27 2whq s VAL 197 Cb -0.16 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.53 2whq s VAL 197 CO -0.05 0.53 -0.19 -0.89 0.00 0.00 0.00 175.10 174.50 2whq s THR 198 N 0.53 2.21 0.08 3.92 2.01 0.26 -0.98 115.64 123.68 2whq s THR 198 Ca -0.15 -0.91 -0.26 0.00 0.31 0.00 0.00 61.69 60.69 2whq s THR 198 Cb -0.17 -1.92 -0.06 0.00 0.01 0.00 0.00 72.50 70.36 2whq s THR 198 CO 0.05 0.53 0.80 -0.76 -0.69 0.00 0.00 174.62 174.55 2whq s LEU 199 N 1.02 4.49 0.03 4.42 1.43 -0.89 -0.49 118.68 128.69 2whq s LEU 199 Ca -0.02 1.55 0.02 0.00 -1.03 0.00 0.00 54.13 54.65 2whq s LEU 199 Cb -0.14 -3.30 -0.02 0.00 0.03 0.00 0.00 46.19 42.76 2whq s LEU 199 CO -0.06 0.05 -0.07 0.72 0.23 0.00 0.00 176.35 177.23 2whq s PHE 200 N -0.32 0.56 0.26 0.29 -0.71 0.02 -0.49 117.98 117.60 2whq s PHE 200 Ca 0.39 -0.41 -0.21 0.00 -1.04 0.00 0.00 56.93 55.66 2whq s PHE 200 Cb -0.22 -0.35 0.03 0.00 -1.21 0.00 0.00 43.02 41.28 2whq s PHE 200 CO 0.25 -0.08 0.69 0.20 -1.34 0.00 0.00 175.22 174.94 2whq s GLY 201 N -1.23 -0.15 -0.14 1.99 0.00 -1.11 -1.24 107.32 105.44 2whq s GLY 201 Ca -0.08 -0.21 0.17 0.00 0.00 0.00 0.00 44.72 44.60 2whq s GLY 201 CO 0.00 -0.07 1.19 -2.21 0.00 0.00 0.00 173.10 172.01 2whq n GLU 202 N -0.44 1.14 0.00 2.90 0.00 -1.23 -1.42 120.64 121.59 2whq n GLU 202 Ca -0.06 -2.89 0.00 0.00 0.00 0.00 0.00 57.16 54.22 2whq n GLU 202 Cb 0.60 -1.05 0.00 0.00 0.00 0.00 0.00 31.44 30.99 2whq n GLU 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2whq n ALA 204 N -0.44 0.00 -0.28 4.31 0.00 -1.26 -3.10 120.51 119.73 2whq n ALA 204 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.54 2whq n ALA 204 Cb 0.89 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.41 2whq n ALA 204 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2whq h GLY 205 N 0.00 1.17 1.02 0.00 0.00 -1.68 0.07 103.07 103.65 2whq h GLY 205 Ca 0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 47.33 46.69 2whq h GLY 205 CO 0.00 0.52 -0.10 0.00 0.00 0.00 0.00 176.54 176.96 2whq h ALA 206 N 1.21 0.61 -0.95 3.60 0.00 -1.65 -1.00 119.26 121.08 2whq h ALA 206 Ca 0.27 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2whq h ALA 206 Cb 0.06 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 2whq h ALA 206 CO -0.04 0.50 0.63 0.00 0.00 0.00 0.00 179.25 180.34 2whq h ALA 207 N 0.87 1.32 0.13 0.00 0.00 -1.71 -0.21 119.26 119.66 2whq h ALA 207 Ca 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2whq h ALA 207 Cb 0.64 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2whq h ALA 207 CO 0.04 0.63 -0.06 0.77 0.00 0.00 0.00 179.25 180.63 2whq h SER 208 N 1.29 -0.15 -0.41 0.00 0.02 -0.66 0.81 113.55 114.46 2whq h SER 208 Ca 0.35 0.01 0.08 0.00 -0.84 0.00 0.00 61.79 61.39 2whq h SER 208 Cb -0.15 0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.35 2whq h SER 208 CO -0.08 -0.11 -0.14 0.58 -1.14 0.00 0.00 176.83 175.94 2whq h VAL 209 N -0.18 0.51 -0.74 2.27 2.07 -0.82 -0.51 116.25 118.86 2whq h VAL 209 Ca -0.02 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.59 2whq h VAL 209 Cb 0.14 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 2whq h VAL 209 CO 0.03 0.00 0.48 1.23 0.02 0.00 0.00 177.57 179.33 2whq h GLY 210 N -0.05 0.94 1.63 2.17 0.00 -0.59 -1.30 103.07 105.87 2whq h GLY 210 Ca 0.20 -0.28 -0.11 0.00 0.00 0.00 0.00 47.33 47.14 2whq h GLY 210 CO -0.45 0.18 -0.36 -0.33 0.00 0.00 0.00 176.54 175.59 2whq h MET 211 N 0.69 0.41 -0.27 4.80 2.86 0.45 -1.74 114.93 122.13 2whq h MET 211 Ca 0.33 -0.19 -0.09 0.00 -2.06 0.00 0.00 59.70 57.70 2whq h MET 211 Cb 0.38 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 2whq h MET 211 CO -0.12 0.72 -0.21 0.45 1.06 0.00 0.00 176.91 178.81 2whq h HIS 212 N 0.35 0.56 -0.61 -0.22 3.86 -0.17 -1.48 115.15 117.44 2whq h HIS 212 Ca 0.04 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.12 2whq h HIS 212 Cb 0.79 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 29.09 2whq h HIS 212 CO 0.02 0.68 0.29 0.82 0.86 0.00 0.00 177.93 180.60 2whq h ILE 213 N 0.45 1.20 -0.02 2.45 2.04 -0.87 -3.03 117.51 119.73 2whq h ILE 213 Ca 0.07 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.36 2whq h ILE 213 Cb 0.62 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2whq h ILE 213 CO 0.04 0.24 -0.02 0.18 0.00 0.00 0.00 178.15 178.59 2whq n LEU 214 N -4.35 1.56 -4.07 1.44 4.77 -0.69 -4.79 117.00 110.86 2whq n LEU 214 Ca 0.05 -0.51 -0.32 0.00 -0.03 0.00 0.00 56.01 55.20 2whq n LEU 214 Cb 0.13 -0.01 -0.15 0.00 -2.33 0.00 0.00 43.42 41.06 2whq n LEU 214 CO 0.38 0.26 -0.48 -0.55 -1.33 0.00 0.00 177.39 175.67 2whq s SER 215 N -2.04 3.91 0.20 -1.43 0.15 -0.61 -4.77 113.70 109.10 2whq s SER 215 Ca 0.36 -1.11 -0.15 0.00 0.70 0.00 0.00 55.95 55.76 2whq s SER 215 Cb 0.21 -1.48 0.21 0.00 -1.71 0.00 0.00 66.02 63.24 2whq s SER 215 CO 0.35 -0.13 1.63 0.25 1.20 0.00 0.00 173.24 176.54 2whq h LEU 216 N 7.85 -0.63 -2.87 3.45 5.85 -1.85 0.34 115.31 127.46 2whq h LEU 216 Ca -0.28 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 2whq h LEU 216 Cb 1.08 0.40 -0.00 0.00 0.37 0.00 0.00 40.66 42.50 2whq h LEU 216 CO 0.52 -0.21 -0.00 -0.65 -0.34 0.00 0.00 178.44 177.75 2whq h PRO 217 N -0.03 0.00 0.00 5.25 0.11 -1.95 -0.52 132.00 134.86 2whq h PRO 217 Ca 0.28 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.37 2whq h PRO 217 Cb 0.46 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 2whq h PRO 217 CO -0.62 0.00 -0.10 0.77 -0.21 0.00 0.00 178.00 177.83 2whq h SER 218 N 0.00 0.00 0.68 -2.05 0.02 -1.17 -3.37 113.55 107.66 2whq h SER 218 Ca -0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2whq h SER 218 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2whq h SER 218 CO 0.00 0.10 -0.27 0.03 -1.14 0.00 0.00 176.83 175.56 2whq h ARG 219 N 0.00 0.00 0.00 3.45 2.47 -1.08 -0.86 114.38 118.35 2whq h ARG 219 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2whq h ARG 219 Cb 0.95 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.27 2whq h ARG 219 CO 0.01 0.27 0.00 -1.13 0.56 0.00 0.00 179.97 179.68 2whq n SER 220 N -3.59 0.00 -0.86 7.04 3.41 -1.26 -3.79 113.62 114.57 2whq n SER 220 Ca -0.01 -0.88 0.09 0.00 -0.26 0.00 0.00 58.87 57.81 2whq n SER 220 Cb 0.40 -0.03 0.15 0.00 -0.26 0.00 0.00 64.21 64.47 2whq n SER 220 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2whq n LEU 221 N -1.03 2.93 -3.76 1.04 4.77 -0.33 -5.00 117.00 115.62 2whq n LEU 221 Ca 0.22 -1.41 -0.05 0.00 -0.03 0.00 0.00 56.01 54.74 2whq n LEU 221 Cb 0.12 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 2whq n LEU 221 CO 0.18 0.62 0.62 0.72 -1.33 0.00 0.00 177.39 178.20 2whq s PHE 222 N -1.31 -0.18 0.00 -1.77 -0.71 -1.25 -4.91 117.98 107.85 2whq s PHE 222 Ca 0.28 -0.17 0.00 0.00 -1.04 0.00 0.00 56.93 56.00 2whq s PHE 222 Cb 0.17 0.66 0.00 0.00 -1.21 0.00 0.00 43.02 42.64 2whq s PHE 222 CO 0.24 -0.96 0.00 0.72 -1.34 0.00 0.00 175.22 173.88 2whq n HIS 223 N -0.45 0.00 -3.99 3.49 8.25 -0.15 -4.93 115.22 117.43 2whq n HIS 223 Ca -0.06 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.31 2whq n HIS 223 Cb 0.60 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.63 2whq n HIS 223 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2whq s ARG 224 N -1.80 0.98 -0.01 -0.41 0.52 -1.17 -4.32 118.95 112.73 2whq s ARG 224 Ca 0.00 -1.19 -0.06 0.00 -0.52 0.00 0.00 55.73 53.96 2whq s ARG 224 Cb 0.00 0.32 0.00 0.00 0.52 0.00 0.00 34.95 35.79 2whq s ARG 224 CO 0.00 -0.32 0.13 0.00 0.02 0.00 0.00 175.30 175.13 2whq s ALA 225 N -3.96 -0.30 -0.12 2.13 0.00 -0.90 -2.09 121.76 116.53 2whq s ALA 225 Ca 0.15 -0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.11 2whq s ALA 225 Cb 0.05 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.20 2whq s ALA 225 CO -0.03 -0.17 -0.17 0.08 0.00 0.00 0.00 175.76 175.48 2whq s VAL 226 N -0.98 1.64 -0.34 0.00 1.01 0.36 -1.42 120.40 120.67 2whq s VAL 226 Ca -0.11 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 2whq s VAL 226 Cb -0.06 -1.49 0.07 0.00 0.00 0.00 0.00 36.38 34.90 2whq s VAL 226 CO 0.01 0.47 0.07 -0.76 0.00 0.00 0.00 175.10 174.89 2whq s LEU 227 N 1.04 4.39 -0.34 3.92 1.02 0.41 -2.75 118.68 126.37 2whq s LEU 227 Ca -0.05 -1.54 -0.15 0.00 0.02 0.00 0.00 54.13 52.41 2whq s LEU 227 Cb -0.15 -1.76 -0.01 0.00 0.02 0.00 0.00 46.19 44.30 2whq s LEU 227 CO -0.03 -0.36 0.36 -1.10 0.02 0.00 0.00 176.35 175.24 2whq s GLN 228 N 1.21 3.57 -1.43 1.70 -0.21 -0.51 -2.38 119.66 121.62 2whq s GLN 228 Ca 0.00 -0.41 -0.09 0.00 0.02 0.00 0.00 55.36 54.88 2whq s GLN 228 Cb -0.21 -3.80 0.05 0.00 1.00 0.00 0.00 33.01 30.05 2whq s GLN 228 CO -0.02 -0.52 0.98 0.43 -2.12 0.00 0.00 175.29 174.04 2whq n SER 229 N 5.38 -4.31 -3.63 5.90 7.64 0.28 -4.10 113.62 120.78 2whq n SER 229 Ca -0.09 -0.72 -0.03 0.00 1.01 0.00 0.00 58.87 59.03 2whq n SER 229 Cb 0.49 -4.25 -0.03 0.00 -1.01 0.00 0.00 64.21 59.41 2whq n SER 229 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2whq s GLY 230 N -3.58 -0.12 0.05 0.23 0.00 -1.26 -4.75 107.32 97.89 2whq s GLY 230 Ca 0.48 2.18 -0.19 0.00 0.00 0.00 0.00 44.72 47.19 2whq s GLY 230 CO 0.80 0.81 0.44 -0.51 0.00 0.00 0.00 173.10 174.63 2whq s THR 231 N -1.71 0.05 0.22 0.90 -4.23 -1.26 -4.27 115.64 105.35 2whq s THR 231 Ca 0.09 -0.42 0.08 0.00 -1.18 0.00 0.00 61.69 60.26 2whq s THR 231 Cb -0.01 -0.98 -0.08 0.00 1.34 0.00 0.00 72.50 72.77 2whq s THR 231 CO -0.05 -0.23 1.51 1.55 -0.54 0.00 0.00 174.62 176.86 2whq h PRO 232 N 2.88 0.07 -7.61 3.99 0.13 -1.82 -3.39 132.00 126.24 2whq h PRO 232 Ca -0.31 -0.06 -0.46 0.00 -0.87 0.00 0.00 66.00 64.30 2whq h PRO 232 Cb 1.21 0.01 0.14 0.00 0.13 0.00 0.00 31.00 32.49 2whq h PRO 232 CO 0.43 0.76 0.35 0.54 -0.23 0.00 0.00 178.00 179.86 2whq s ASN 233 N -6.85 3.49 0.00 1.44 4.22 -1.26 -4.56 114.94 111.41 2whq s ASN 233 Ca -0.02 0.69 0.00 0.00 -2.14 0.00 0.00 52.86 51.40 2whq s ASN 233 Cb 0.12 -1.07 0.00 0.00 1.28 0.00 0.00 41.25 41.58 2whq s ASN 233 CO 0.79 -2.54 0.00 0.61 -2.04 0.00 0.00 177.10 173.92 2whq n GLY 234 N -2.86 -2.77 0.08 0.45 0.00 -1.26 -4.73 105.19 94.10 2whq n GLY 234 Ca 0.10 -2.18 0.13 0.00 0.00 0.00 0.00 46.02 44.07 2whq n GLY 234 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2whq n PRO 235 N -0.26 0.24 -0.00 1.61 -0.05 -1.26 -4.32 135.00 130.96 2whq n PRO 235 Ca 0.00 0.14 0.01 0.00 -0.05 0.00 0.00 63.50 63.60 2whq n PRO 235 Cb 0.00 -1.72 -0.02 0.00 -0.05 0.00 0.00 33.50 31.71 2whq n PRO 235 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 175.50 172.78 2whq n TRP 236 N -2.11 0.00 0.42 0.54 4.27 -1.26 -4.79 117.44 114.51 2whq n TRP 236 Ca 0.05 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.79 2whq n TRP 236 Cb 0.42 -0.07 0.34 0.00 -1.36 0.00 0.00 31.31 30.65 2whq n TRP 236 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2whq h ALA 237 N 0.20 1.00 -2.39 -1.67 0.00 -1.84 -3.43 119.26 111.12 2whq h ALA 237 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2whq h ALA 237 Cb 0.32 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.95 2whq h ALA 237 CO 0.00 0.00 -0.67 0.95 0.00 0.00 0.00 179.25 179.53 2whq s THR 238 N -3.21 0.19 0.16 0.00 -4.23 -1.26 -3.75 115.64 103.54 2whq s THR 238 Ca 0.08 -1.60 0.06 0.00 -1.18 0.00 0.00 61.69 59.05 2whq s THR 238 Cb 0.09 -1.27 -0.04 0.00 1.34 0.00 0.00 72.50 72.62 2whq s THR 238 CO 0.60 -0.88 -0.14 0.68 -0.54 0.00 0.00 174.62 174.34 2whq s VAL 239 N -3.43 1.47 0.91 2.29 -7.23 -0.82 -5.00 120.40 108.59 2whq s VAL 239 Ca 0.02 -1.97 -0.12 0.00 -1.81 0.00 0.00 61.98 58.11 2whq s VAL 239 Cb 0.04 -1.79 0.13 0.00 0.56 0.00 0.00 36.38 35.32 2whq s VAL 239 CO -0.08 -0.53 1.09 -0.94 -0.31 0.00 0.00 175.10 174.33 2whq s SER 240 N -2.90 3.42 0.21 4.85 1.04 -1.26 -1.14 113.70 117.92 2whq s SER 240 Ca 0.16 1.38 -0.09 0.00 0.48 0.00 0.00 55.95 57.87 2whq s SER 240 Cb -0.02 -2.06 0.23 0.00 0.10 0.00 0.00 66.02 64.28 2whq s SER 240 CO 0.04 -2.66 1.81 0.00 0.98 0.00 0.00 173.24 173.41 2whq h ALA 241 N -1.56 0.89 -0.53 5.32 0.00 -1.94 -1.99 119.26 119.45 2whq h ALA 241 Ca -0.50 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2whq h ALA 241 Cb 1.29 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2whq h ALA 241 CO 0.56 0.05 0.29 0.78 0.00 0.00 0.00 179.25 180.93 2whq h GLY 242 N 0.69 0.79 1.67 0.00 0.00 -1.93 -0.69 103.07 103.60 2whq h GLY 242 Ca 0.30 -0.36 -0.14 0.00 0.00 0.00 0.00 47.33 47.13 2whq h GLY 242 CO -0.18 0.35 -0.51 -2.09 0.00 0.00 0.00 176.54 174.11 2whq h GLU 243 N 0.70 0.35 -0.01 4.80 4.57 -1.89 -1.65 114.58 121.45 2whq h GLU 243 Ca 0.19 -0.20 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2whq h GLU 243 Cb 0.05 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 2whq h GLU 243 CO -0.03 0.78 0.00 0.00 -1.18 0.00 0.00 179.01 178.58 2whq h ALA 244 N 1.19 0.02 -0.72 2.92 0.00 -1.07 -0.97 119.26 120.62 2whq h ALA 244 Ca 0.01 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.92 2whq h ALA 244 Cb 0.99 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 2whq h ALA 244 CO 0.08 -0.40 0.38 -0.09 0.00 0.00 0.00 179.25 179.23 2whq h ARG 245 N -0.15 0.65 -0.12 0.00 2.43 -1.06 0.68 114.38 116.81 2whq h ARG 245 Ca 0.00 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2whq h ARG 245 Cb 0.17 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2whq h ARG 245 CO -0.00 0.43 0.05 -0.09 -1.51 0.00 0.00 179.97 178.85 2whq h ARG 246 N 0.67 0.11 -0.56 0.20 2.43 -1.11 -0.90 114.38 115.23 2whq h ARG 246 Ca 0.34 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.46 2whq h ARG 246 Cb 0.30 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 2whq h ARG 246 CO -0.23 0.08 0.16 0.00 -1.51 0.00 0.00 179.97 178.46 2whq h ARG 247 N 0.12 0.88 -0.28 0.20 3.08 -0.45 -0.52 114.38 117.40 2whq h ARG 247 Ca 0.05 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 59.86 2whq h ARG 247 Cb 0.02 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 2whq h ARG 247 CO -0.04 0.81 0.03 0.00 -1.07 0.00 0.00 179.97 179.70 2whq h ALA 248 N 1.03 0.38 -0.70 0.04 0.00 -0.75 -1.19 119.26 118.07 2whq h ALA 248 Ca 0.18 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2whq h ALA 248 Cb 0.31 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2whq h ALA 248 CO -0.00 0.08 0.18 1.79 0.00 0.00 0.00 179.25 181.30 2whq h THR 249 N 0.29 1.26 -0.25 0.00 1.35 -1.06 -0.79 112.91 113.71 2whq h THR 249 Ca 0.08 -0.95 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 2whq h THR 249 Cb 0.36 0.53 -0.01 0.00 -1.73 0.00 0.00 68.15 67.30 2whq h THR 249 CO 0.01 0.37 0.16 0.25 -0.25 0.00 0.00 175.52 176.05 2whq h LEU 250 N 1.05 0.29 -0.64 3.87 5.85 -0.99 -1.18 115.31 123.56 2whq h LEU 250 Ca 0.22 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.93 2whq h LEU 250 Cb 0.36 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 2whq h LEU 250 CO 0.00 0.24 0.40 0.25 -0.34 0.00 0.00 178.44 178.99 2whq h LEU 251 N 0.32 0.66 0.03 2.25 5.85 -0.89 0.51 115.31 124.05 2whq h LEU 251 Ca 0.09 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 2whq h LEU 251 Cb -0.01 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 2whq h LEU 251 CO -0.02 0.46 -0.02 0.00 -0.34 0.00 0.00 178.44 178.53 2whq h ALA 252 N 1.27 -0.04 -0.63 1.25 0.00 -1.00 -1.33 119.26 118.78 2whq h ALA 252 Ca 0.25 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.29 2whq h ALA 252 Cb 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.70 2whq h ALA 252 CO -0.10 -0.53 -0.03 -0.09 0.00 0.00 0.00 179.25 178.51 2whq h ARG 253 N -0.05 0.09 0.00 0.00 2.43 -0.77 0.37 114.38 116.46 2whq h ARG 253 Ca -0.00 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 2whq h ARG 253 Cb 0.04 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2whq h ARG 253 CO 0.00 0.06 -0.19 -0.07 -1.51 0.00 0.00 179.97 178.26 2whq h LEU 254 N 0.09 0.00 -3.02 3.80 3.38 -0.06 -1.33 115.31 118.17 2whq h LEU 254 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2whq h LEU 254 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2whq h LEU 254 CO -0.56 0.19 0.00 1.33 0.09 0.00 0.00 178.44 179.49 2whq n VAL 255 N -4.24 1.73 -2.15 1.22 0.24 -0.58 -4.94 118.33 109.60 2whq n VAL 255 Ca -0.02 -1.14 -0.00 0.00 -2.04 0.00 0.00 64.34 61.14 2whq n VAL 255 Cb 0.26 0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.77 2whq n VAL 255 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2whq n GLY 256 N 1.19 0.52 0.00 7.63 0.00 -0.50 -5.06 105.19 108.97 2whq n GLY 256 Ca 0.25 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2whq n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2whq n ASN 265 N -1.04 -5.16 -0.35 0.00 6.94 -1.26 -4.84 115.26 109.55 2whq n ASN 265 Ca 0.00 0.19 0.08 0.00 -0.02 0.00 0.00 54.58 54.84 2whq n ASN 265 Cb 0.00 -4.22 0.26 0.00 -2.36 0.00 0.00 39.78 33.45 2whq n ASN 265 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 2whq h ASP 266 N 0.00 0.83 -0.44 0.53 3.32 -2.00 -2.62 116.42 116.04 2whq h ASP 266 Ca -0.39 0.07 0.03 0.00 0.02 0.00 0.00 57.03 56.75 2whq h ASP 266 Cb 1.24 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.66 2whq h ASP 266 CO 0.51 0.40 0.24 0.74 -1.72 0.00 0.00 179.24 179.42 2whq h THR 267 N 0.88 1.02 -0.69 0.35 2.02 -2.02 0.40 112.91 114.87 2whq h THR 267 Ca 0.51 -0.17 -0.07 0.00 0.77 0.00 0.00 66.41 67.45 2whq h THR 267 Cb 0.61 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 2whq h THR 267 CO -0.31 0.09 0.15 -0.33 0.37 0.00 0.00 175.52 175.49 2whq h GLU 268 N 0.49 1.12 -0.22 6.66 3.07 -1.94 0.17 114.58 123.94 2whq h GLU 268 Ca 0.18 -0.28 -0.03 0.00 -0.50 0.00 0.00 59.36 58.72 2whq h GLU 268 Cb 0.05 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 2whq h GLU 268 CO -0.10 1.00 -0.00 1.25 -1.40 0.00 0.00 179.01 179.76 2whq h LEU 269 N 1.05 0.37 -0.69 1.33 6.46 -1.01 -1.68 115.31 121.14 2whq h LEU 269 Ca 0.21 -0.31 -0.11 0.00 -0.12 0.00 0.00 57.88 57.56 2whq h LEU 269 Cb 0.40 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.22 2whq h LEU 269 CO 0.01 0.59 -0.17 0.40 -0.62 0.00 0.00 178.44 178.65 2whq h ILE 270 N 0.15 1.27 -0.63 4.05 2.04 -0.85 -1.06 117.51 122.47 2whq h ILE 270 Ca 0.06 -1.28 0.03 0.00 1.00 0.00 0.00 64.86 64.67 2whq h ILE 270 Cb 0.40 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 2whq h ILE 270 CO 0.01 0.43 0.39 0.00 0.00 0.00 0.00 178.15 178.99 2whq h ALA 271 N 1.07 0.82 -0.42 1.87 0.00 -0.80 -0.10 119.26 121.69 2whq h ALA 271 Ca 0.11 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2whq h ALA 271 Cb 0.68 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2whq h ALA 271 CO 0.05 0.15 -0.09 0.00 0.00 0.00 0.00 179.25 179.36 2whq h LEU 273 N 0.63 0.82 -1.83 0.00 3.38 -0.80 -1.28 115.31 116.23 2whq h LEU 273 Ca 0.11 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2whq h LEU 273 Cb 0.61 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2whq h LEU 273 CO 0.04 0.52 0.00 0.03 0.09 0.00 0.00 178.44 179.12 2whq h ARG 274 N 0.93 0.00 0.00 1.13 3.08 -0.68 -2.13 114.38 116.71 2whq h ARG 274 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 2whq h ARG 274 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2whq h ARG 274 CO -0.15 0.00 0.00 1.79 -1.07 0.00 0.00 179.97 180.54 2whq h THR 275 N 0.00 0.00 -3.63 2.04 1.35 -1.00 -3.47 112.91 108.21 2whq h THR 275 Ca 0.00 -0.70 -0.51 0.00 -0.55 0.00 0.00 66.41 64.65 2whq h THR 275 Cb 0.31 1.68 -0.01 0.00 -1.73 0.00 0.00 68.15 68.40 2whq h THR 275 CO 0.00 0.00 0.41 -0.13 -0.25 0.00 0.00 175.52 175.55 2whq s ARG 276 N -3.24 4.69 0.56 4.72 1.81 -0.80 -5.01 118.95 121.68 2whq s ARG 276 Ca 0.07 1.59 -0.21 0.00 -1.72 0.00 0.00 55.73 55.46 2whq s ARG 276 Cb 0.08 -3.30 -0.04 0.00 -0.45 0.00 0.00 34.95 31.24 2whq s ARG 276 CO 0.61 0.23 1.34 -2.14 -0.68 0.00 0.00 175.30 174.66 2whq s PRO 277 N -0.54 3.05 0.19 3.54 0.02 -1.26 -4.90 135.00 135.09 2whq s PRO 277 Ca 0.46 2.20 -0.12 0.00 0.02 0.00 0.00 61.00 63.56 2whq s PRO 277 Cb -0.27 -2.18 0.21 0.00 0.02 0.00 0.00 34.50 32.27 2whq s PRO 277 CO 0.33 -1.25 1.74 0.00 -0.33 0.00 0.00 177.00 177.49 2whq h ALA 278 N 1.30 0.65 0.00 -1.55 0.00 -1.98 -0.94 119.26 116.75 2whq h ALA 278 Ca -0.51 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2whq h ALA 278 Cb 1.31 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 2whq h ALA 278 CO 0.57 -0.23 -0.05 0.37 0.00 0.00 0.00 179.25 179.91 2whq h GLN 279 N 0.35 0.00 -0.49 0.00 5.75 -1.99 -1.83 115.11 116.89 2whq h GLN 279 Ca 0.26 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.69 2whq h GLN 279 Cb 0.31 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.84 2whq h GLN 279 CO -0.28 0.05 0.03 -0.44 -2.65 0.00 0.00 178.83 175.55 2whq h ASP 280 N 0.00 0.82 0.16 -0.69 3.32 -1.53 0.51 116.42 119.02 2whq h ASP 280 Ca -0.00 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 2whq h ASP 280 Cb 0.15 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.48 2whq h ASP 280 CO 0.01 0.91 -0.08 -0.07 -1.72 0.00 0.00 179.24 178.28 2whq h LEU 281 N 0.71 -0.19 -1.29 1.55 4.07 -1.34 -2.95 115.31 115.87 2whq h LEU 281 Ca 0.14 -0.07 0.07 0.00 0.08 0.00 0.00 57.88 58.10 2whq h LEU 281 Cb 0.46 0.05 -0.05 0.00 1.08 0.00 0.00 40.66 42.20 2whq h LEU 281 CO 0.02 -0.04 0.52 0.58 -1.08 0.00 0.00 178.44 178.43 2whq h VAL 282 N -0.32 1.03 -0.80 1.22 2.07 -1.38 -1.85 116.25 116.22 2whq h VAL 282 Ca -0.02 -0.29 0.17 0.00 0.82 0.00 0.00 66.70 67.38 2whq h VAL 282 Cb 0.25 0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.07 2whq h VAL 282 CO 0.04 0.16 0.53 0.44 0.02 0.00 0.00 177.57 178.76 2whq h ASP 283 N 0.85 0.36 -0.08 0.57 3.32 -0.71 -2.91 116.42 117.82 2whq h ASP 283 Ca 0.34 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.42 2whq h ASP 283 Cb 0.24 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2whq h ASP 283 CO -0.12 0.17 0.00 1.41 -1.72 0.00 0.00 179.24 178.98 2whq n HIS 284 N -4.47 0.10 -0.16 4.55 8.25 -0.75 -4.71 115.22 118.02 2whq n HIS 284 Ca 0.16 -0.13 -0.05 0.00 -0.26 0.00 0.00 57.72 57.44 2whq n HIS 284 Cb 0.60 -0.01 0.14 0.00 1.12 0.00 0.00 29.99 31.84 2whq n HIS 284 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 2whq h GLU 285 N 1.66 0.91 0.00 -0.41 4.11 -1.20 -2.01 114.58 117.64 2whq h GLU 285 Ca 0.00 -0.22 0.00 0.00 0.07 0.00 0.00 59.36 59.21 2whq h GLU 285 Cb 0.45 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2whq h GLU 285 CO 0.00 0.85 0.00 0.91 0.07 0.00 0.00 179.01 180.84 2whq n TRP 286 N -4.24 0.00 1.59 2.06 5.03 -1.26 -3.45 117.44 117.17 2whq n TRP 286 Ca 0.04 0.00 0.12 0.00 3.03 0.00 0.00 57.50 60.68 2whq n TRP 286 Cb 0.27 -0.44 0.53 0.00 -1.03 0.00 0.00 31.31 30.63 2whq n TRP 286 CO 0.00 0.00 0.00 0.72 -0.03 0.00 0.00 177.69 178.38 2whq n HIS 287 N -1.44 0.08 0.75 -5.99 8.25 -0.76 -4.03 115.22 112.08 2whq n HIS 287 Ca 0.07 -0.04 0.09 0.00 -0.26 0.00 0.00 57.72 57.57 2whq n HIS 287 Cb 0.23 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.39 2whq n HIS 287 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2whq n VAL 288 N -0.18 0.00 -1.96 1.59 0.24 -1.22 -4.97 118.33 111.83 2whq n VAL 288 Ca 0.17 -0.45 -0.41 0.00 -2.04 0.00 0.00 64.34 61.61 2whq n VAL 288 Cb 0.23 1.32 -0.02 0.00 -1.47 0.00 0.00 33.84 33.91 2whq n VAL 288 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2whq s LEU 289 N -1.66 4.37 0.38 1.34 1.43 -1.26 -4.85 118.68 118.44 2whq s LEU 289 Ca 0.19 2.81 0.12 0.00 -1.03 0.00 0.00 54.13 56.23 2whq s LEU 289 Cb 0.15 -3.64 0.75 0.00 0.03 0.00 0.00 46.19 43.47 2whq s LEU 289 CO 0.28 -0.72 1.85 1.55 0.23 0.00 0.00 176.35 179.54 2whq h PRO 290 N 3.95 0.04 -4.97 1.29 0.13 -1.97 -3.45 132.00 127.02 2whq h PRO 290 Ca -0.48 -0.01 -0.31 0.00 -0.87 0.00 0.00 66.00 64.33 2whq h PRO 290 Cb 1.23 -0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.21 2whq h PRO 290 CO 0.70 0.36 -0.71 -0.65 -0.23 0.00 0.00 178.00 177.48 2whq s GLN 291 N -4.31 1.03 0.15 0.86 1.11 -1.26 -5.10 119.66 112.14 2whq s GLN 291 Ca -0.03 -1.44 -0.31 0.00 0.01 0.00 0.00 55.36 53.58 2whq s GLN 291 Cb 0.15 -0.52 -0.10 0.00 -1.01 0.00 0.00 33.01 31.52 2whq s GLN 291 CO 0.73 0.04 1.67 -2.00 0.01 0.00 0.00 175.29 175.73 2whq s GLU 292 N -3.78 4.18 0.26 2.91 2.12 -1.26 -4.95 118.70 118.17 2whq s GLU 292 Ca 0.17 2.46 -0.19 0.00 0.36 0.00 0.00 54.97 57.77 2whq s GLU 292 Cb 0.03 -3.30 0.02 0.00 0.26 0.00 0.00 34.13 31.14 2whq s GLU 292 CO -0.00 -0.71 0.64 -1.54 -0.54 0.00 0.00 175.26 173.11 2whq s SER 293 N 1.68 -0.23 0.19 -1.70 1.04 -1.26 -4.61 113.70 108.81 2whq s SER 293 Ca 0.74 -0.65 0.06 0.00 0.48 0.00 0.00 55.95 56.58 2whq s SER 293 Cb -0.45 0.68 -0.05 0.00 0.10 0.00 0.00 66.02 66.30 2whq s SER 293 CO 0.32 -1.26 -0.12 0.27 0.98 0.00 0.00 173.24 173.44 2whq s ILE 294 N -3.93 1.48 -1.46 -1.02 -4.36 -1.02 -4.81 121.20 106.07 2whq s ILE 294 Ca 0.13 -2.14 -0.07 0.00 -0.26 0.00 0.00 60.65 58.31 2whq s ILE 294 Cb -0.04 -2.01 0.01 0.00 1.25 0.00 0.00 42.46 41.66 2whq s ILE 294 CO 0.06 -0.62 0.91 0.33 0.24 0.00 0.00 174.94 175.86 2whq n PHE 295 N -0.33 -2.46 -4.07 1.37 -0.00 -1.26 -4.81 117.46 105.91 2whq n PHE 295 Ca -0.08 0.78 -0.15 0.00 -0.00 0.00 0.00 57.45 58.00 2whq n PHE 295 Cb 0.61 -4.80 -0.14 0.00 -0.00 0.00 0.00 39.48 35.14 2whq n PHE 295 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 2whq s ARG 296 N -6.03 0.30 -0.01 -4.13 6.06 -1.26 -4.74 118.95 109.15 2whq s ARG 296 Ca 0.45 -0.12 0.02 0.00 -2.50 0.00 0.00 55.73 53.58 2whq s ARG 296 Cb -0.20 -0.30 -0.00 0.00 0.06 0.00 0.00 34.95 34.50 2whq s ARG 296 CO 0.56 0.07 -0.06 -0.06 -2.50 0.00 0.00 175.30 173.31 2whq s PHE 297 N -0.01 0.55 0.03 5.12 0.08 -1.26 -5.07 117.98 117.42 2whq s PHE 297 Ca 0.01 -0.11 -0.23 0.00 0.12 0.00 0.00 56.93 56.72 2whq s PHE 297 Cb -0.02 -0.37 -0.15 0.00 -0.57 0.00 0.00 43.02 41.91 2whq s PHE 297 CO -0.00 -0.02 1.43 0.77 -0.10 0.00 0.00 175.22 177.30 2whq h SER 298 N 6.09 0.17 -3.81 1.36 0.02 -1.89 -3.41 113.55 112.07 2whq h SER 298 Ca -0.29 -0.35 -0.67 0.00 -0.84 0.00 0.00 61.79 59.64 2whq h SER 298 Cb 1.19 -0.05 -0.38 0.00 0.14 0.00 0.00 62.40 63.30 2whq h SER 298 CO 0.50 0.48 -0.77 -0.36 -1.14 0.00 0.00 176.83 175.54 2whq s PHE 299 N -4.80 3.41 0.29 3.45 0.08 -1.26 -5.00 117.98 114.14 2whq s PHE 299 Ca -0.15 -2.50 0.02 0.00 0.12 0.00 0.00 56.93 54.42 2whq s PHE 299 Cb 0.04 -2.22 -0.04 0.00 -0.57 0.00 0.00 43.02 40.23 2whq s PHE 299 CO 0.70 -0.90 0.13 0.14 -0.10 0.00 0.00 175.22 175.19 2whq s VAL 300 N 1.05 0.46 0.34 -0.44 -7.23 -1.26 -4.53 120.40 108.79 2whq s VAL 300 Ca -0.03 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 57.88 2whq s VAL 300 Cb -0.20 -2.57 -0.13 0.00 0.56 0.00 0.00 36.38 34.04 2whq s VAL 300 CO -0.06 0.00 0.88 -2.65 -0.31 0.00 0.00 175.10 172.97 2whq n PRO 301 N -0.54 1.10 -4.95 4.82 -0.02 -1.25 -4.72 135.00 129.45 2whq n PRO 301 Ca 0.00 0.39 -0.32 0.00 -2.02 0.00 0.00 63.50 61.55 2whq n PRO 301 Cb 0.66 -1.76 -0.14 0.00 -0.02 0.00 0.00 33.50 32.24 2whq n PRO 301 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2whq s VAL 302 N -1.19 2.88 -0.79 -1.45 0.11 -1.26 -1.94 120.40 116.76 2whq s VAL 302 Ca 0.61 -0.78 -0.25 0.00 -2.93 0.00 0.00 61.98 58.62 2whq s VAL 302 Cb -0.67 -2.12 -0.02 0.00 -1.53 0.00 0.00 36.38 32.04 2whq s VAL 302 CO 0.59 0.58 1.78 -0.69 -3.33 0.00 0.00 175.10 174.03 2whq s VAL 303 N -0.54 3.50 -0.79 2.04 1.01 -0.29 -4.68 120.40 120.64 2whq s VAL 303 Ca 0.07 -0.11 0.22 0.00 0.00 0.00 0.00 61.98 62.16 2whq s VAL 303 Cb -0.11 -4.20 -0.22 0.00 0.00 0.00 0.00 36.38 31.84 2whq s VAL 303 CO 0.01 -1.15 0.88 -0.90 0.00 0.00 0.00 175.10 173.94 2whq n ASP 304 N 12.41 0.76 -0.14 3.32 5.75 -1.24 -3.74 116.55 133.66 2whq n ASP 304 Ca 0.28 -0.70 -0.02 0.00 -0.01 0.00 0.00 54.79 54.34 2whq n ASP 304 Cb 0.50 1.10 -0.01 0.00 -1.03 0.00 0.00 41.12 41.68 2whq n ASP 304 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2whq n GLY 305 N 1.45 0.53 0.00 6.12 0.00 0.08 -4.89 105.19 108.48 2whq n GLY 305 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2whq n GLY 305 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2whq n ASP 306 N 0.38 0.00 -0.18 1.61 2.03 -1.26 -4.62 116.55 114.51 2whq n ASP 306 Ca -0.02 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.27 2whq n ASP 306 Cb 0.13 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.57 2whq n ASP 306 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2whq h PHE 307 N 0.00 -0.41 -3.63 -0.67 3.04 -1.92 -3.31 116.94 110.05 2whq h PHE 307 Ca 0.00 0.05 -0.70 0.00 3.98 0.00 0.00 57.97 61.30 2whq h PHE 307 Cb 0.00 0.26 -0.28 0.00 2.56 0.00 0.00 35.95 38.50 2whq h PHE 307 CO 0.00 -0.27 -0.57 -0.51 -2.02 0.00 0.00 178.31 174.94 2whq s LEU 308 N -10.77 4.53 0.26 0.59 1.43 -1.26 -4.54 118.68 108.92 2whq s LEU 308 Ca -0.14 -1.16 0.23 0.00 -1.03 0.00 0.00 54.13 52.03 2whq s LEU 308 Cb 0.17 -1.92 1.00 0.00 0.03 0.00 0.00 46.19 45.47 2whq s LEU 308 CO 0.72 -0.37 1.69 -1.54 0.23 0.00 0.00 176.35 177.08 2whq n SER 309 N 4.87 0.63 -3.24 2.29 3.41 -1.25 -0.74 113.62 119.59 2whq n SER 309 Ca -0.12 0.68 -0.04 0.00 -0.26 0.00 0.00 58.87 59.13 2whq n SER 309 Cb 0.45 -0.80 0.02 0.00 -0.26 0.00 0.00 64.21 63.61 2whq n SER 309 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2whq s ASP 310 N -4.17 0.02 0.60 4.04 -1.08 -1.26 -4.57 116.67 110.24 2whq s ASP 310 Ca 0.03 -0.79 -0.20 0.00 -0.52 0.00 0.00 52.55 51.07 2whq s ASP 310 Cb 0.09 0.58 -0.03 0.00 -1.46 0.00 0.00 42.92 42.09 2whq s ASP 310 CO 0.35 -1.15 1.33 0.42 0.52 0.00 0.00 175.17 176.64 2whq s THR 311 N -2.13 2.04 0.30 1.71 -4.23 -1.26 -4.78 115.64 107.28 2whq s THR 311 Ca 0.21 0.03 0.01 0.00 -1.18 0.00 0.00 61.69 60.75 2whq s THR 311 Cb -0.03 -3.01 0.28 0.00 1.34 0.00 0.00 72.50 71.08 2whq s THR 311 CO 0.07 -0.00 1.90 -0.65 -0.54 0.00 0.00 174.62 175.39 2whq h PRO 312 N 1.01 1.01 -0.04 3.99 0.11 -1.99 -0.14 132.00 135.96 2whq h PRO 312 Ca -0.51 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 65.58 2whq h PRO 312 Cb 1.32 -0.23 -0.05 0.00 0.11 0.00 0.00 31.00 32.15 2whq h PRO 312 CO 0.55 0.67 -0.31 1.49 -0.21 0.00 0.00 178.00 180.19 2whq h GLU 313 N 1.04 -0.42 -0.94 1.05 4.81 -1.90 0.82 114.58 119.05 2whq h GLU 313 Ca 0.41 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.71 2whq h GLU 313 Cb 0.24 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.65 2whq h GLU 313 CO -0.16 -0.28 0.61 0.00 -0.73 0.00 0.00 179.01 178.44 2whq h ALA 314 N 0.34 1.26 -0.17 2.92 0.00 -1.71 -2.51 119.26 119.39 2whq h ALA 314 Ca 0.07 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 2whq h ALA 314 Cb 0.54 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2whq h ALA 314 CO -0.28 0.44 -0.57 -0.07 0.00 0.00 0.00 179.25 178.77 2whq h LEU 315 N 1.15 0.59 -0.60 0.00 3.38 -0.35 -2.88 115.31 116.60 2whq h LEU 315 Ca 0.39 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2whq h LEU 315 Cb 0.07 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2whq h LEU 315 CO -0.14 1.03 -0.25 0.16 0.09 0.00 0.00 178.44 179.34 2whq h ILE 316 N 0.40 0.49 0.00 1.22 3.07 -0.74 -1.16 117.51 120.80 2whq h ILE 316 Ca 0.00 -1.37 -0.13 0.00 1.55 0.00 0.00 64.86 64.91 2whq h ILE 316 Cb 1.11 1.99 -0.02 0.00 -0.27 0.00 0.00 36.82 39.63 2whq h ILE 316 CO 0.11 0.24 -0.62 0.78 -1.05 0.00 0.00 178.15 177.61 2whq h ASN 317 N 0.00 0.00 -0.00 2.16 2.35 -1.29 -3.36 115.58 115.45 2whq h ASN 317 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2whq h ASN 317 Cb 0.97 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.34 2whq h ASN 317 CO 0.03 0.62 -0.12 0.35 -1.65 0.00 0.00 177.43 176.66 2whq n THR 318 N -3.56 0.00 -0.78 2.81 -2.24 -1.10 -5.05 114.28 104.36 2whq n THR 318 Ca -0.00 -0.44 -0.31 0.00 -2.27 0.00 0.00 64.05 61.03 2whq n THR 318 Cb 0.67 1.02 0.16 0.00 -2.10 0.00 0.00 70.33 70.07 2whq n THR 318 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2whq s GLY 319 N -1.09 1.68 -0.28 3.38 0.00 -0.44 -5.02 107.32 105.55 2whq s GLY 319 Ca 0.02 0.53 -0.05 0.00 0.00 0.00 0.00 44.72 45.22 2whq s GLY 319 CO 0.11 0.94 0.03 -0.35 0.00 0.00 0.00 173.10 173.84 2whq s ASP 320 N -2.78 4.84 -0.19 1.64 2.15 -1.26 -4.88 116.67 116.19 2whq s ASP 320 Ca 0.66 -0.73 0.13 0.00 0.43 0.00 0.00 52.55 53.04 2whq s ASP 320 Cb -0.22 -1.81 0.39 0.00 -0.30 0.00 0.00 42.92 40.99 2whq s ASP 320 CO 0.58 -0.16 1.22 0.49 -0.17 0.00 0.00 175.17 177.13 2whq n PHE 321 N 4.80 0.09 0.09 -5.34 3.72 -0.62 -4.82 117.46 115.38 2whq n PHE 321 Ca -0.15 -1.37 0.06 0.00 -0.05 0.00 0.00 57.45 55.95 2whq n PHE 321 Cb 0.48 -0.24 0.52 0.00 -0.94 0.00 0.00 39.48 39.29 2whq n PHE 321 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2whq h GLN 322 N 0.76 0.31 -0.92 -1.08 4.20 -1.67 -2.27 115.11 114.45 2whq h GLN 322 Ca 0.01 -0.02 -0.42 0.00 0.06 0.00 0.00 58.65 58.29 2whq h GLN 322 Cb 1.05 -0.07 -0.25 0.00 0.30 0.00 0.00 27.48 28.51 2whq h GLN 322 CO 0.03 0.21 0.53 -0.25 -0.67 0.00 0.00 178.83 178.68 2whq n ASP 323 N -4.50 4.13 -4.36 1.46 9.92 -1.26 -4.69 116.55 117.25 2whq n ASP 323 Ca 0.01 -3.47 -0.32 0.00 -0.53 0.00 0.00 54.79 50.49 2whq n ASP 323 Cb 0.11 -0.81 -0.15 0.00 -0.64 0.00 0.00 41.12 39.63 2whq n ASP 323 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2whq s LEU 324 N -3.18 2.29 -0.05 0.64 2.96 -0.86 -4.99 118.68 115.48 2whq s LEU 324 Ca 0.56 -0.38 0.05 0.00 -0.22 0.00 0.00 54.13 54.14 2whq s LEU 324 Cb 0.47 -1.42 -0.02 0.00 0.50 0.00 0.00 46.19 45.72 2whq s LEU 324 CO 0.12 0.31 -0.20 -1.10 -1.32 0.00 0.00 176.35 174.16 2whq s GLN 325 N -0.56 2.47 -0.01 1.98 1.11 -1.26 -1.03 119.66 122.36 2whq s GLN 325 Ca 0.08 -0.82 0.00 0.00 0.01 0.00 0.00 55.36 54.64 2whq s GLN 325 Cb -0.11 -2.24 0.01 0.00 -1.01 0.00 0.00 33.01 29.66 2whq s GLN 325 CO 0.00 0.51 -0.01 0.08 0.01 0.00 0.00 175.29 175.88 2whq s VAL 326 N -0.46 0.13 -0.17 1.09 1.01 -0.00 -2.11 120.40 119.89 2whq s VAL 326 Ca 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 2whq s VAL 326 Cb -0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.09 2whq s VAL 326 CO 0.01 0.08 -0.10 -0.22 0.00 0.00 0.00 175.10 174.87 2whq s LEU 327 N 0.40 2.76 0.05 3.92 2.96 -0.51 -0.76 118.68 127.51 2whq s LEU 327 Ca -0.04 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.52 2whq s LEU 327 Cb -0.06 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 2whq s LEU 327 CO -0.01 0.08 -0.08 0.68 -1.32 0.00 0.00 176.35 175.71 2whq s VAL 328 N 0.86 0.57 0.10 1.68 -7.23 0.58 -0.44 120.40 116.52 2whq s VAL 328 Ca -0.03 -1.26 -0.25 0.00 -1.81 0.00 0.00 61.98 58.63 2whq s VAL 328 Cb -0.15 -0.84 0.09 0.00 0.56 0.00 0.00 36.38 36.04 2whq s VAL 328 CO 0.00 -0.49 1.13 -0.83 -0.31 0.00 0.00 175.10 174.61 2whq s GLY 329 N -1.89 -0.03 0.19 2.32 0.00 -1.00 -1.63 107.32 105.27 2whq s GLY 329 Ca -0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 44.72 44.57 2whq s GLY 329 CO -0.01 3.03 0.09 -1.34 0.00 0.00 0.00 173.10 174.87 2whq s VAL 330 N -2.22 0.21 0.40 1.40 -7.23 -1.00 -0.56 120.40 111.40 2whq s VAL 330 Ca 0.23 -1.97 0.05 0.00 -1.81 0.00 0.00 61.98 58.48 2whq s VAL 330 Cb -0.01 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.56 2whq s VAL 330 CO 0.02 -0.17 0.57 0.68 -0.31 0.00 0.00 175.10 175.89 2whq s VAL 331 N -4.00 3.61 0.36 1.32 -7.23 -1.26 -0.44 120.40 112.76 2whq s VAL 331 Ca 0.33 -0.87 0.10 0.00 -1.81 0.00 0.00 61.98 59.73 2whq s VAL 331 Cb 0.07 -3.26 0.11 0.00 0.56 0.00 0.00 36.38 33.86 2whq s VAL 331 CO 0.09 -0.13 1.84 0.50 -0.31 0.00 0.00 175.10 177.09 2whq h LYS 332 N 0.64 0.18 -2.18 4.82 3.64 -1.36 -3.33 116.57 118.98 2whq h LYS 332 Ca -0.44 -0.06 -0.56 0.00 -1.27 0.00 0.00 60.65 58.32 2whq h LYS 332 Cb 1.27 -0.02 -0.41 0.00 -0.41 0.00 0.00 32.23 32.66 2whq h LYS 332 CO 0.51 0.43 -0.80 -0.25 -2.27 0.00 0.00 179.45 177.07 2whq n ASP 333 N -4.17 3.17 -0.34 4.20 9.92 -0.62 -4.93 116.55 123.78 2whq n ASP 333 Ca -0.01 -3.41 0.14 0.00 -0.53 0.00 0.00 54.79 50.98 2whq n ASP 333 Cb 0.35 -0.60 0.34 0.00 -0.64 0.00 0.00 41.12 40.57 2whq n ASP 333 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2whq h GLU 334 N 3.24 0.63 0.00 -1.24 4.39 -1.77 -3.00 114.58 116.83 2whq h GLU 334 Ca 0.13 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2whq h GLU 334 Cb 0.67 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2whq h GLU 334 CO 0.72 0.42 -0.31 0.78 -1.16 0.00 0.00 179.01 179.46 2whq h GLY 335 N 0.65 0.00 0.96 -3.84 0.00 -1.87 -3.37 103.07 95.60 2whq h GLY 335 Ca 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.89 2whq h GLY 335 CO -0.43 0.00 0.17 1.48 0.00 0.00 0.00 176.54 177.76 2whq h SER 336 N 0.00 0.65 -0.68 0.19 4.64 -1.75 -2.40 113.55 114.19 2whq h SER 336 Ca 0.00 -0.18 0.14 0.00 -0.47 0.00 0.00 61.79 61.27 2whq h SER 336 Cb 0.97 -0.17 -0.10 0.00 -0.31 0.00 0.00 62.40 62.80 2whq h SER 336 CO 0.00 0.66 0.16 0.22 -0.87 0.00 0.00 176.83 176.99 2whq h TYR 337 N 0.60 0.25 0.00 4.77 3.20 -1.81 -2.78 116.97 121.19 2whq h TYR 337 Ca 0.15 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 2whq h TYR 337 Cb 0.22 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 2whq h TYR 337 CO 0.01 -0.05 -0.01 0.74 -1.64 0.00 0.00 178.16 177.20 2whq h PHE 338 N 0.27 0.00 -0.30 -3.82 -1.00 -1.71 -3.16 116.94 107.22 2whq h PHE 338 Ca 0.37 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 61.08 2whq h PHE 338 Cb 0.59 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.13 2whq h PHE 338 CO -0.25 0.01 -0.10 -0.07 -1.61 0.00 0.00 178.31 176.29 2whq h LEU 339 N 0.00 0.48 0.00 1.54 3.38 -1.53 -2.83 115.31 116.34 2whq h LEU 339 Ca -0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2whq h LEU 339 Cb 0.53 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2whq h LEU 339 CO 0.00 0.62 0.00 1.33 0.09 0.00 0.00 178.44 180.48 2whq n VAL 340 N -4.22 0.04 -1.27 1.22 0.24 -1.19 -1.78 118.33 111.38 2whq n VAL 340 Ca 0.01 0.01 -0.07 0.00 -2.04 0.00 0.00 64.34 62.25 2whq n VAL 340 Cb 0.30 -0.60 0.22 0.00 -1.47 0.00 0.00 33.84 32.29 2whq n VAL 340 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2whq n TYR 341 N -1.06 1.76 0.00 6.34 4.02 -1.07 -4.79 117.16 122.37 2whq n TYR 341 Ca 0.18 -1.49 0.00 0.00 -0.01 0.00 0.00 57.90 56.58 2whq n TYR 341 Cb 0.11 -0.61 0.00 0.00 -0.02 0.00 0.00 39.34 38.82 2whq n TYR 341 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2whq n GLY 342 N -0.88 -0.05 3.56 2.72 0.00 -1.22 -4.96 105.19 104.36 2whq n GLY 342 Ca 0.39 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.02 2whq n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2whq s VAL 343 N 0.00 5.25 0.31 1.61 1.01 -0.73 -4.98 120.40 122.87 2whq s VAL 343 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.67 2whq s VAL 343 Cb 0.00 -3.58 -0.12 0.00 0.00 0.00 0.00 36.38 32.68 2whq s VAL 343 CO 0.00 0.14 1.56 -2.65 0.00 0.00 0.00 175.10 174.15 2whq n PRO 344 N 5.07 2.65 0.00 2.72 -0.02 -1.26 -2.53 135.00 141.64 2whq n PRO 344 Ca -0.13 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2whq n PRO 344 Cb 0.51 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 2whq n PRO 344 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2whq n GLY 345 N 1.73 1.77 3.67 -1.23 0.00 -1.26 -4.93 105.19 104.94 2whq n GLY 345 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 2whq n GLY 345 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2whq s PHE 346 N -2.42 3.27 -0.00 1.61 0.40 -1.05 -4.52 117.98 115.28 2whq s PHE 346 Ca 0.00 0.14 -0.22 0.00 -0.60 0.00 0.00 56.93 56.25 2whq s PHE 346 Cb 0.00 -2.00 0.05 0.00 0.51 0.00 0.00 43.02 41.58 2whq s PHE 346 CO 0.00 0.29 0.49 0.45 0.70 0.00 0.00 175.22 177.15 2whq s SER 347 N -0.06 -0.41 0.17 1.36 0.15 -1.26 -4.58 113.70 109.07 2whq s SER 347 Ca 0.06 0.29 0.25 0.00 0.70 0.00 0.00 55.95 57.25 2whq s SER 347 Cb -0.12 0.45 0.91 0.00 -1.71 0.00 0.00 66.02 65.54 2whq s SER 347 CO 0.01 -0.60 1.76 2.29 1.20 0.00 0.00 173.24 177.90 2whq n LYS 348 N 0.82 0.18 0.00 5.44 2.85 -1.26 -3.81 118.16 122.38 2whq n LYS 348 Ca -0.19 0.24 0.12 0.00 -1.05 0.00 0.00 58.31 57.42 2whq n LYS 348 Cb 0.58 -1.75 0.08 0.00 -0.65 0.00 0.00 35.03 33.28 2whq n LYS 348 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2whq n ASP 349 N -2.08 2.43 -2.88 -5.58 8.00 -1.26 -4.42 116.55 110.76 2whq n ASP 349 Ca 0.05 -1.72 -0.16 0.00 0.71 0.00 0.00 54.79 53.67 2whq n ASP 349 Cb 0.34 0.23 -0.06 0.00 -0.02 0.00 0.00 41.12 41.62 2whq n ASP 349 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2whq n ASN 350 N 0.60 -0.76 -0.01 -2.24 0.23 -1.25 -5.05 115.26 106.78 2whq n ASN 350 Ca 0.12 -2.83 0.15 0.00 -0.53 0.00 0.00 54.58 51.49 2whq n ASN 350 Cb 0.52 1.64 0.91 0.00 -2.08 0.00 0.00 39.78 40.77 2whq n ASN 350 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2whq n GLU 351 N -0.54 1.02 -3.87 -3.83 1.02 -1.26 -4.73 120.64 108.46 2whq n GLU 351 Ca 0.05 -0.03 -0.25 0.00 -0.02 0.00 0.00 57.16 56.91 2whq n GLU 351 Cb 0.52 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 30.45 2whq n GLU 351 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2whq n SER 352 N -0.95 -1.10 -4.53 1.62 7.64 -1.26 -4.90 113.62 110.14 2whq n SER 352 Ca 0.23 -0.97 -0.43 0.00 1.01 0.00 0.00 58.87 58.71 2whq n SER 352 Cb 0.11 -3.29 -0.04 0.00 -1.01 0.00 0.00 64.21 59.98 2whq n SER 352 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2whq s LEU 353 N -6.85 3.96 0.36 -3.43 1.43 -1.26 -4.72 118.68 108.16 2whq s LEU 353 Ca 0.06 -0.26 0.06 0.00 -1.03 0.00 0.00 54.13 52.96 2whq s LEU 353 Cb -0.02 -2.90 -0.01 0.00 0.03 0.00 0.00 46.19 43.29 2whq s LEU 353 CO 0.87 -1.29 0.50 0.27 0.23 0.00 0.00 176.35 176.93 2whq s ILE 354 N 4.18 3.94 0.56 -0.59 -4.36 -1.25 -5.00 121.20 118.69 2whq s ILE 354 Ca 0.33 -0.95 0.01 0.00 -0.26 0.00 0.00 60.65 59.79 2whq s ILE 354 Cb -0.11 -3.37 0.04 0.00 1.25 0.00 0.00 42.46 40.26 2whq s ILE 354 CO 0.20 -0.15 0.78 -0.94 0.24 0.00 0.00 174.94 175.07 2whq s SER 355 N -4.20 5.23 0.23 4.36 1.04 -1.26 -4.17 113.70 114.93 2whq s SER 355 Ca 0.46 -0.03 -0.08 0.00 0.48 0.00 0.00 55.95 56.78 2whq s SER 355 Cb -0.10 -0.83 0.20 0.00 0.10 0.00 0.00 66.02 65.40 2whq s SER 355 CO 0.32 -1.17 1.89 -0.09 0.98 0.00 0.00 173.24 175.17 2whq h ARG 356 N 0.05 1.16 -0.81 4.02 2.43 -1.89 -1.56 114.38 117.76 2whq h ARG 356 Ca -0.42 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 2whq h ARG 356 Cb 1.30 -0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 30.55 2whq h ARG 356 CO 0.52 0.78 0.45 0.00 -1.51 0.00 0.00 179.97 180.20 2whq h ALA 357 N 1.31 1.04 0.00 2.80 0.00 -1.99 -1.34 119.26 121.09 2whq h ALA 357 Ca 0.32 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 2whq h ALA 357 Cb -0.11 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 2whq h ALA 357 CO -0.07 0.55 -0.41 1.96 0.00 0.00 0.00 179.25 181.29 2whq h GLN 358 N 1.13 0.00 0.03 0.00 4.20 -1.87 -1.86 115.11 116.74 2whq h GLN 358 Ca 0.29 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.00 2whq h GLN 358 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2whq h GLN 358 CO -0.05 0.41 -0.02 0.35 -0.67 0.00 0.00 178.83 178.85 2whq h PHE 359 N 0.00 -0.04 -0.92 2.96 -0.00 -0.26 0.29 116.94 118.96 2whq h PHE 359 Ca -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 57.97 57.97 2whq h PHE 359 Cb 0.76 0.01 -0.05 0.00 -0.00 0.00 0.00 35.95 36.68 2whq h PHE 359 CO 0.00 0.24 0.60 -0.07 -0.00 0.00 0.00 178.31 179.08 2whq h LEU 360 N -0.32 1.07 -0.56 0.59 3.38 -1.17 0.10 115.31 118.40 2whq h LEU 360 Ca -0.00 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 2whq h LEU 360 Cb 0.30 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2whq h LEU 360 CO 0.01 0.78 -0.20 0.00 0.09 0.00 0.00 178.44 179.12 2whq h ALA 361 N 1.33 0.75 -0.88 1.53 0.00 -1.27 -2.88 119.26 117.86 2whq h ALA 361 Ca 0.34 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2whq h ALA 361 Cb -0.13 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.44 2whq h ALA 361 CO -0.07 0.66 0.57 0.78 0.00 0.00 0.00 179.25 181.19 2whq h GLY 362 N 0.91 1.26 1.41 0.00 0.00 0.29 -2.65 103.07 104.30 2whq h GLY 362 Ca 0.11 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 2whq h GLY 362 CO 0.06 0.40 0.10 -2.08 0.00 0.00 0.00 176.54 175.02 2whq h VAL 363 N 1.13 1.21 0.00 4.60 2.07 -0.82 -0.76 116.25 123.68 2whq h VAL 363 Ca 0.34 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 2whq h VAL 363 Cb -0.04 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2whq h VAL 363 CO -0.10 0.29 -0.20 0.03 0.02 0.00 0.00 177.57 177.60 2whq h ARG 364 N 0.71 0.00 0.06 1.57 2.47 -1.27 -0.67 114.38 117.25 2whq h ARG 364 Ca 0.16 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.58 2whq h ARG 364 Cb 0.29 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.58 2whq h ARG 364 CO 0.00 0.20 -1.60 0.82 0.56 0.00 0.00 179.97 179.95 2whq h ILE 365 N 0.00 1.03 0.00 2.04 2.04 -1.27 -3.16 117.51 118.19 2whq h ILE 365 Ca -0.00 -2.77 0.00 0.00 1.00 0.00 0.00 64.86 63.08 2whq h ILE 365 Cb 0.47 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.15 2whq h ILE 365 CO 0.03 0.72 -0.33 1.23 0.00 0.00 0.00 178.15 179.79 2whq h GLY 366 N 2.50 0.00 -5.82 5.37 0.00 -1.00 -2.72 103.07 101.40 2whq h GLY 366 Ca -0.26 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.53 2whq h GLY 366 CO 0.11 0.00 -0.94 -0.62 0.00 0.00 0.00 176.54 175.10 2whq n VAL 367 N -2.67 1.03 0.33 4.60 0.31 -0.27 -4.88 118.33 116.78 2whq n VAL 367 Ca 0.03 -4.86 0.21 0.00 -0.01 0.00 0.00 64.34 59.71 2whq n VAL 367 Cb 0.50 -1.15 1.15 0.00 -0.91 0.00 0.00 33.84 33.43 2whq n VAL 367 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2whq h PRO 368 N 3.34 0.00 -0.00 5.55 0.13 -1.66 -0.47 132.00 138.88 2whq h PRO 368 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2whq h PRO 368 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2whq h PRO 368 CO 0.63 0.00 -0.21 1.04 -0.23 0.00 0.00 178.00 179.23 2whq n GLN 369 N -3.27 0.49 -2.39 0.86 3.00 -1.26 -4.93 117.38 109.87 2whq n GLN 369 Ca -0.03 -0.21 -0.41 0.00 -0.01 0.00 0.00 57.00 56.34 2whq n GLN 369 Cb 0.07 -1.50 -0.04 0.00 0.00 0.00 0.00 30.24 28.78 2whq n GLN 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2whq s ALA 370 N -2.66 3.43 0.85 -1.58 0.00 -0.19 -5.05 121.76 116.56 2whq s ALA 370 Ca 0.22 0.95 -0.11 0.00 0.00 0.00 0.00 51.96 53.03 2whq s ALA 370 Cb 0.19 -3.38 0.10 0.00 0.00 0.00 0.00 23.12 20.03 2whq s ALA 370 CO 0.54 -0.31 1.09 -1.54 0.00 0.00 0.00 175.76 175.55 2whq s SER 371 N -0.34 3.86 0.25 0.00 1.04 -1.26 -4.79 113.70 112.46 2whq s SER 371 Ca 0.49 1.68 -0.06 0.00 0.48 0.00 0.00 55.95 58.54 2whq s SER 371 Cb -0.33 -2.36 0.46 0.00 0.10 0.00 0.00 66.02 63.89 2whq s SER 371 CO 0.40 -2.42 1.64 0.44 0.98 0.00 0.00 173.24 174.28 2whq h ASP 372 N -1.40 -0.28 -0.36 7.02 3.32 -1.97 -0.04 116.42 122.72 2whq h ASP 372 Ca -0.47 0.19 -0.13 0.00 0.02 0.00 0.00 57.03 56.64 2whq h ASP 372 Cb 1.26 0.32 -0.01 0.00 0.22 0.00 0.00 39.33 41.12 2whq h ASP 372 CO 0.52 -0.16 -0.26 0.25 -1.72 0.00 0.00 179.24 177.87 2whq h LEU 373 N 0.13 0.90 -0.37 1.55 5.85 -1.93 -1.31 115.31 120.13 2whq h LEU 373 Ca 0.42 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 2whq h LEU 373 Cb 0.75 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2whq h LEU 373 CO -0.64 1.11 0.14 0.00 -0.34 0.00 0.00 178.44 178.70 2whq h ALA 374 N 0.95 0.48 0.00 1.25 0.00 -1.53 0.32 119.26 120.73 2whq h ALA 374 Ca 0.09 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2whq h ALA 374 Cb 0.82 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2whq h ALA 374 CO 0.07 0.09 -0.24 0.00 0.00 0.00 0.00 179.25 179.17 2whq h ALA 375 N 0.98 1.54 -0.10 0.00 0.00 -0.90 -1.18 119.26 119.61 2whq h ALA 375 Ca 0.12 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2whq h ALA 375 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2whq h ALA 375 CO -0.01 0.30 -0.25 1.49 0.00 0.00 0.00 179.25 180.78 2whq h GLU 376 N 0.00 0.34 -0.79 0.00 4.81 -0.79 -1.64 114.58 116.52 2whq h GLU 376 Ca -0.00 -0.24 0.14 0.00 -0.13 0.00 0.00 59.36 59.13 2whq h GLU 376 Cb 0.44 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.77 2whq h GLU 376 CO 0.03 0.85 0.37 0.00 -0.73 0.00 0.00 179.01 179.53 2whq h ALA 377 N 0.49 1.15 0.05 2.92 0.00 -0.39 -0.04 119.26 123.44 2whq h ALA 377 Ca -0.00 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2whq h ALA 377 Cb 0.86 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2whq h ALA 377 CO 0.05 -0.14 -0.03 0.28 0.00 0.00 0.00 179.25 179.42 2whq h VAL 378 N 0.54 1.11 -0.61 0.00 2.07 -1.08 -1.42 116.25 116.86 2whq h VAL 378 Ca 0.43 -0.54 0.08 0.00 0.82 0.00 0.00 66.70 67.49 2whq h VAL 378 Cb 0.61 1.46 -0.07 0.00 -1.52 0.00 0.00 31.29 31.78 2whq h VAL 378 CO -0.37 0.14 0.26 0.58 0.02 0.00 0.00 177.57 178.19 2whq h VAL 379 N -0.31 0.82 -0.23 2.57 2.07 -0.94 -1.55 116.25 118.67 2whq h VAL 379 Ca -0.01 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.26 2whq h VAL 379 Cb 0.28 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2whq h VAL 379 CO 0.01 0.09 -0.27 -0.07 0.02 0.00 0.00 177.57 177.35 2whq h LEU 380 N 0.47 0.45 -0.50 2.57 3.38 -0.84 -0.02 115.31 120.83 2whq h LEU 380 Ca 0.30 -0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.95 2whq h LEU 380 Cb 0.33 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2whq h LEU 380 CO -0.27 0.72 -0.51 -0.74 0.09 0.00 0.00 178.44 177.73 2whq h HIS 381 N 0.40 0.80 0.00 1.13 2.76 -0.70 -3.29 115.15 116.25 2whq h HIS 381 Ca 0.06 -0.27 0.00 0.00 -2.20 0.00 0.00 60.37 57.96 2whq h HIS 381 Cb 0.68 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.48 2whq h HIS 381 CO 0.02 1.02 -1.20 0.66 -1.30 0.00 0.00 177.93 177.13 2whq n TYR 382 N -3.99 0.19 -2.01 5.26 4.02 -0.64 -4.88 117.16 115.12 2whq n TYR 382 Ca -0.03 0.05 -0.42 0.00 -0.01 0.00 0.00 57.90 57.50 2whq n TYR 382 Cb 0.59 -0.38 -0.03 0.00 -0.02 0.00 0.00 39.34 39.50 2whq n TYR 382 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2whq s THR 383 N -3.23 2.70 -0.54 -0.72 2.01 -0.04 -4.88 115.64 110.94 2whq s THR 383 Ca 0.02 0.56 -0.24 0.00 0.31 0.00 0.00 61.69 62.35 2whq s THR 383 Cb 0.14 -3.36 0.04 0.00 0.01 0.00 0.00 72.50 69.34 2whq s THR 383 CO 0.83 0.07 0.90 -0.62 -0.69 0.00 0.00 174.62 175.12 2whq s ASP 384 N 0.61 6.33 0.06 3.53 -1.08 -1.26 -4.93 116.67 119.92 2whq s ASP 384 Ca 0.62 -0.42 0.19 0.00 -0.52 0.00 0.00 52.55 52.43 2whq s ASP 384 Cb -0.42 -2.42 0.79 0.00 -1.46 0.00 0.00 42.92 39.41 2whq s ASP 384 CO 0.39 -1.18 1.59 0.79 0.52 0.00 0.00 175.17 177.28 2whq n TRP 385 N 7.30 0.21 0.08 -5.34 7.02 -1.26 -0.91 117.44 124.55 2whq n TRP 385 Ca 0.01 0.08 -0.10 0.00 -1.02 0.00 0.00 57.50 56.47 2whq n TRP 385 Cb 0.47 -0.63 -0.03 0.00 -2.42 0.00 0.00 31.31 28.70 2whq n TRP 385 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 2whq h LEU 386 N 0.00 0.30 -5.83 -0.99 3.38 -2.04 -3.39 115.31 106.74 2whq h LEU 386 Ca 0.00 -0.25 -0.53 0.00 0.09 0.00 0.00 57.88 57.19 2whq h LEU 386 Cb 0.33 -0.09 -0.41 0.00 0.09 0.00 0.00 40.66 40.58 2whq h LEU 386 CO 0.00 1.07 -1.01 1.41 0.09 0.00 0.00 178.44 180.01 2whq n HIS 387 N -3.64 1.32 0.32 1.13 8.25 -0.08 -4.96 115.22 117.55 2whq n HIS 387 Ca -0.04 -3.85 0.21 0.00 -0.26 0.00 0.00 57.72 53.77 2whq n HIS 387 Cb 0.84 -0.44 1.03 0.00 1.12 0.00 0.00 29.99 32.54 2whq n HIS 387 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2whq h PRO 388 N 3.18 0.00 -0.01 -0.41 0.13 -1.24 -2.77 132.00 130.89 2whq h PRO 388 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2whq h PRO 388 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2whq h PRO 388 CO 0.60 0.00 -0.06 0.39 -0.23 0.00 0.00 178.00 178.70 2whq n GLU 389 N -3.11 0.98 -1.84 0.86 -0.58 -1.26 -4.87 120.64 110.82 2whq n GLU 389 Ca -0.02 -0.74 -0.42 0.00 -0.42 0.00 0.00 57.16 55.56 2whq n GLU 389 Cb 0.15 -1.07 -0.03 0.00 -0.57 0.00 0.00 31.44 29.93 2whq n GLU 389 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2whq s ASP 390 N -0.79 6.55 0.36 1.62 2.15 -1.05 -4.73 116.67 120.79 2whq s ASP 390 Ca 0.07 2.49 0.11 0.00 0.43 0.00 0.00 52.55 55.65 2whq s ASP 390 Cb 0.06 -2.54 0.70 0.00 -0.30 0.00 0.00 42.92 40.84 2whq s ASP 390 CO 0.12 -0.97 1.83 -0.65 -0.17 0.00 0.00 175.17 175.33 2whq h PRO 391 N 9.66 0.11 -0.55 4.34 0.11 -1.92 -1.70 132.00 142.06 2whq h PRO 391 Ca -0.44 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 2whq h PRO 391 Cb 1.21 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 2whq h PRO 391 CO 0.94 0.41 0.01 1.15 -0.21 0.00 0.00 178.00 180.31 2whq h THR 392 N 0.10 1.26 -0.33 -1.15 2.02 -1.90 -1.33 112.91 111.58 2whq h THR 392 Ca 0.01 -1.09 -0.11 0.00 0.77 0.00 0.00 66.41 65.98 2whq h THR 392 Cb 0.60 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 2whq h THR 392 CO 0.04 0.39 -0.24 0.45 0.37 0.00 0.00 175.52 176.54 2whq h HIS 393 N 0.84 0.88 -0.49 3.16 3.86 -1.87 -2.14 115.15 119.38 2whq h HIS 393 Ca 0.16 -0.24 -0.07 0.00 -1.16 0.00 0.00 60.37 59.06 2whq h HIS 393 Cb 0.52 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.77 2whq h HIS 393 CO 0.04 0.99 0.02 -0.07 0.86 0.00 0.00 177.93 179.77 2whq h LEU 394 N 0.52 0.77 -0.18 2.43 3.38 -1.24 0.14 115.31 121.13 2whq h LEU 394 Ca 0.06 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 2whq h LEU 394 Cb 0.80 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2whq h LEU 394 CO 0.06 0.82 -0.05 -0.09 0.09 0.00 0.00 178.44 179.28 2whq h ARG 395 N 0.76 0.34 0.00 1.13 1.12 -1.18 -1.63 114.38 114.92 2whq h ARG 395 Ca 0.15 -0.13 -0.09 0.00 -1.11 0.00 0.00 59.98 58.79 2whq h ARG 395 Cb 0.42 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.35 2whq h ARG 395 CO 0.02 0.62 -0.44 -0.44 -3.11 0.00 0.00 179.97 176.61 2whq h ASP 396 N 0.05 0.00 -0.33 -3.80 3.32 -1.15 -2.37 116.42 112.14 2whq h ASP 396 Ca 0.04 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.96 2whq h ASP 396 Cb 0.49 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 2whq h ASP 396 CO 0.02 0.44 -0.31 0.00 -1.72 0.00 0.00 179.24 177.67 2whq h ALA 397 N 1.56 0.48 -0.61 3.45 0.00 -0.66 -1.71 119.26 121.77 2whq h ALA 397 Ca -0.00 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.52 2whq h ALA 397 Cb 0.79 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2whq h ALA 397 CO 0.06 0.52 0.36 1.98 0.00 0.00 0.00 179.25 182.16 2whq h MET 398 N 0.56 0.68 -0.13 0.00 1.85 -0.97 0.17 114.93 117.08 2whq h MET 398 Ca 0.05 -0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 59.10 2whq h MET 398 Cb 0.89 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 32.76 2whq h MET 398 CO 0.08 0.45 0.07 1.03 -0.40 0.00 0.00 176.91 178.14 2whq h SER 399 N 0.70 0.16 -0.71 1.39 0.87 -1.36 -2.77 113.55 111.82 2whq h SER 399 Ca 0.25 -0.06 0.04 0.00 -1.23 0.00 0.00 61.79 60.79 2whq h SER 399 Cb 0.07 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 61.94 2whq h SER 399 CO -0.12 0.17 0.44 0.00 -0.53 0.00 0.00 176.83 176.79 2whq h ALA 400 N 0.99 0.94 -0.60 6.23 0.00 -0.73 -0.59 119.26 125.50 2whq h ALA 400 Ca 0.05 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.03 2whq h ALA 400 Cb 0.05 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.55 2whq h ALA 400 CO -0.01 0.20 0.22 0.28 0.00 0.00 0.00 179.25 179.94 2whq h VAL 401 N 0.84 0.77 -0.17 0.00 2.07 -0.54 0.26 116.25 119.49 2whq h VAL 401 Ca 0.29 -0.14 -0.12 0.00 0.82 0.00 0.00 66.70 67.56 2whq h VAL 401 Cb 0.06 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2whq h VAL 401 CO -0.12 0.07 -0.35 0.58 0.02 0.00 0.00 177.57 177.77 2whq h VAL 402 N 0.40 1.35 -0.40 2.57 2.07 -1.13 -1.69 116.25 119.42 2whq h VAL 402 Ca 0.30 -1.60 -0.14 0.00 0.82 0.00 0.00 66.70 66.08 2whq h VAL 402 Cb 0.37 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 2whq h VAL 402 CO -0.30 0.48 -0.32 1.23 0.02 0.00 0.00 177.57 178.68 2whq h GLY 403 N 0.17 0.97 0.53 2.17 0.00 -0.86 -1.75 103.07 104.30 2whq h GLY 403 Ca 0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 47.33 46.40 2whq h GLY 403 CO 0.08 0.84 -0.02 -0.55 0.00 0.00 0.00 176.54 176.89 2whq h ASP 404 N 0.75 0.05 -0.59 0.19 3.32 -0.51 0.58 116.42 120.20 2whq h ASP 404 Ca 0.08 -0.50 -0.03 0.00 0.02 0.00 0.00 57.03 56.60 2whq h ASP 404 Cb 0.89 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.40 2whq h ASP 404 CO 0.08 0.54 0.27 -0.74 -1.72 0.00 0.00 179.24 177.66 2whq h HIS 405 N -0.44 0.88 0.01 4.55 2.76 -1.35 -1.03 115.15 120.53 2whq h HIS 405 Ca 0.00 -0.05 -0.29 0.00 -2.20 0.00 0.00 60.37 57.83 2whq h HIS 405 Cb 0.52 -0.27 -0.05 0.00 1.55 0.00 0.00 27.41 29.17 2whq h HIS 405 CO 0.10 0.68 -1.70 -0.91 -1.30 0.00 0.00 177.93 174.80 2whq h ASN 406 N 0.82 0.03 0.00 3.26 2.35 -1.36 -3.42 115.58 117.25 2whq h ASN 406 Ca 0.20 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2whq h ASN 406 Cb 0.15 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.51 2whq h ASN 406 CO -0.02 1.05 -0.05 0.52 -1.65 0.00 0.00 177.43 177.27 2whq n VAL 407 N -3.08 0.91 -0.08 2.81 0.31 -0.00 -4.74 118.33 114.46 2whq n VAL 407 Ca -0.17 0.30 -0.10 0.00 -0.01 0.00 0.00 64.34 64.35 2whq n VAL 407 Cb 1.05 -1.35 -0.04 0.00 -0.91 0.00 0.00 33.84 32.59 2whq n VAL 407 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2whq h VAL 408 N 0.00 1.19 -0.23 2.52 2.07 -1.02 -0.37 116.25 120.41 2whq h VAL 408 Ca 0.00 -0.59 -0.20 0.00 0.82 0.00 0.00 66.70 66.73 2whq h VAL 408 Cb 0.05 1.10 0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2whq h VAL 408 CO 0.00 0.19 -0.66 0.00 0.02 0.00 0.00 177.57 177.13 2whq h PRO 410 N 0.62 1.10 -0.38 0.00 0.11 -1.71 0.37 132.00 132.10 2whq h PRO 410 Ca -0.02 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.98 2whq h PRO 410 Cb 1.28 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2whq h PRO 410 CO 0.14 0.73 0.04 0.28 -0.21 0.00 0.00 178.00 178.98 2whq h VAL 411 N 1.13 1.25 -0.83 3.15 2.07 -0.81 -1.16 116.25 121.04 2whq h VAL 411 Ca 0.42 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 2whq h VAL 411 Cb 0.17 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 2whq h VAL 411 CO -0.16 0.31 0.39 0.00 0.02 0.00 0.00 177.57 178.12 2whq h ALA 412 N 0.90 1.11 -0.26 1.67 0.00 -0.63 0.45 119.26 122.50 2whq h ALA 412 Ca 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2whq h ALA 412 Cb 0.40 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2whq h ALA 412 CO 0.01 0.66 0.10 0.37 0.00 0.00 0.00 179.25 180.39 2whq h GLN 413 N 1.19 0.39 -0.16 0.00 4.15 -0.80 -1.85 115.11 118.04 2whq h GLN 413 Ca 0.28 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.63 2whq h GLN 413 Cb 0.14 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 2whq h GLN 413 CO -0.03 0.44 0.09 1.25 -1.93 0.00 0.00 178.83 178.64 2whq h LEU 414 N 0.26 0.19 -0.67 -2.39 5.85 -0.80 -0.95 115.31 116.81 2whq h LEU 414 Ca 0.09 -0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.82 2whq h LEU 414 Cb 0.20 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.11 2whq h LEU 414 CO -0.01 0.21 0.32 0.00 -0.34 0.00 0.00 178.44 178.62 2whq h ALA 415 N 0.99 0.91 -0.36 1.25 0.00 -0.87 0.16 119.26 121.34 2whq h ALA 415 Ca 0.06 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2whq h ALA 415 Cb 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2whq h ALA 415 CO -0.01 -0.09 0.02 0.78 0.00 0.00 0.00 179.25 179.95 2whq h GLY 416 N 0.54 0.67 0.77 0.00 0.00 -1.11 -1.24 103.07 102.70 2whq h GLY 416 Ca 0.33 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 2whq h GLY 416 CO -0.27 0.44 -0.01 3.21 0.00 0.00 0.00 176.54 179.90 2whq h ARG 417 N 0.44 0.26 -0.48 4.80 2.47 -0.65 -1.09 114.38 120.12 2whq h ARG 417 Ca 0.10 -0.09 0.05 0.00 -1.26 0.00 0.00 59.98 58.78 2whq h ARG 417 Cb 0.42 -0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 28.67 2whq h ARG 417 CO 0.01 0.51 0.22 -0.07 0.56 0.00 0.00 179.97 181.20 2whq h LEU 418 N -0.02 0.29 -0.70 3.04 3.38 -0.71 -1.30 115.31 119.30 2whq h LEU 418 Ca 0.04 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2whq h LEU 418 Cb 0.40 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 2whq h LEU 418 CO 0.01 0.20 0.15 0.00 0.09 0.00 0.00 178.44 178.89 2whq h ALA 419 N 1.28 0.92 -0.09 1.53 0.00 -1.15 -0.15 119.26 121.60 2whq h ALA 419 Ca 0.22 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2whq h ALA 419 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2whq h ALA 419 CO -0.18 0.67 -0.28 0.00 0.00 0.00 0.00 179.25 179.46 2whq h ALA 420 N 1.07 1.37 -0.64 0.00 0.00 -0.90 -2.99 119.26 117.17 2whq h ALA 420 Ca 0.22 -0.30 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 2whq h ALA 420 Cb 0.40 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 17.96 2whq h ALA 420 CO 0.01 0.45 0.33 1.04 0.00 0.00 0.00 179.25 181.07 2whq n GLN 421 N -4.16 2.62 -0.31 0.00 3.00 -0.52 -4.90 117.38 113.11 2whq n GLN 421 Ca -0.01 -2.30 0.00 0.00 -0.01 0.00 0.00 57.00 54.68 2whq n GLN 421 Cb 0.36 -1.95 0.00 0.00 0.00 0.00 0.00 30.24 28.65 2whq n GLN 421 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2whq n GLY 422 N -0.33 0.73 3.81 1.08 0.00 -1.13 -1.59 105.19 107.76 2whq n GLY 422 Ca 0.37 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.06 2whq n GLY 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2whq s ALA 423 N -2.66 2.88 -0.28 4.61 0.00 -0.11 -3.87 121.76 122.33 2whq s ALA 423 Ca 0.00 0.47 -0.19 0.00 0.00 0.00 0.00 51.96 52.24 2whq s ALA 423 Cb 0.00 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 2whq s ALA 423 CO 0.00 -0.38 0.55 0.50 0.00 0.00 0.00 175.76 176.43 2whq s ARG 424 N -3.56 3.97 -0.03 0.00 3.52 -0.20 -4.42 118.95 118.23 2whq s ARG 424 Ca 0.65 0.27 0.06 0.00 -0.13 0.00 0.00 55.73 56.57 2whq s ARG 424 Cb -0.14 -3.69 -0.01 0.00 -1.56 0.00 0.00 34.95 29.54 2whq s ARG 424 CO 0.25 -0.45 -0.21 0.08 -0.81 0.00 0.00 175.30 174.16 2whq s VAL 425 N 2.41 1.69 -0.02 7.11 1.01 -1.26 -0.82 120.40 130.52 2whq s VAL 425 Ca 0.22 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.37 2whq s VAL 425 Cb -0.15 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 2whq s VAL 425 CO 0.10 0.48 -0.19 -0.31 0.00 0.00 0.00 175.10 175.18 2whq s TYR 426 N -0.26 1.78 0.08 5.22 1.51 0.06 0.30 117.35 126.03 2whq s TYR 426 Ca 0.02 -0.37 0.04 0.00 -1.01 0.00 0.00 57.07 55.75 2whq s TYR 426 Cb -0.10 -1.15 -0.03 0.00 -0.11 0.00 0.00 41.96 40.56 2whq s TYR 426 CO 0.01 -0.06 -0.12 0.00 -1.11 0.00 0.00 175.55 174.27 2whq s ALA 427 N -0.37 1.12 0.11 3.71 0.00 -1.25 -0.31 121.76 124.78 2whq s ALA 427 Ca 0.05 -1.05 -0.09 0.00 0.00 0.00 0.00 51.96 50.87 2whq s ALA 427 Cb -0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 22.99 2whq s ALA 427 CO -0.00 0.08 0.22 1.52 0.00 0.00 0.00 175.76 177.58 2whq s TYR 428 N -1.69 0.24 -0.10 0.00 -0.85 -0.65 -2.21 117.35 112.10 2whq s TYR 428 Ca 0.00 -0.65 0.02 0.00 -0.52 0.00 0.00 57.07 55.92 2whq s TYR 428 Cb -0.08 -0.06 0.01 0.00 0.38 0.00 0.00 41.96 42.21 2whq s TYR 428 CO 0.02 -0.60 -0.15 -1.50 -1.52 0.00 0.00 175.55 171.80 2whq s ILE 429 N -3.90 1.44 -0.23 -3.49 2.07 -0.07 -2.37 121.20 114.64 2whq s ILE 429 Ca 0.09 -0.61 -0.18 0.00 -1.41 0.00 0.00 60.65 58.55 2whq s ILE 429 Cb 0.04 -1.32 -0.03 0.00 0.13 0.00 0.00 42.46 41.29 2whq s ILE 429 CO -0.07 0.43 0.49 0.12 -1.91 0.00 0.00 174.94 174.00 2whq s PHE 430 N 0.96 3.31 -0.03 3.50 2.19 0.42 -0.84 117.98 127.49 2whq s PHE 430 Ca -0.08 0.66 0.04 0.00 0.33 0.00 0.00 56.93 57.89 2whq s PHE 430 Cb -0.15 -2.67 0.06 0.00 -1.31 0.00 0.00 43.02 38.95 2whq s PHE 430 CO -0.01 -0.18 0.94 0.39 1.83 0.00 0.00 175.22 178.19 2whq n GLU 431 N 5.14 1.81 -3.63 10.12 1.02 -0.16 -1.42 120.64 133.52 2whq n GLU 431 Ca -0.05 -1.51 -0.37 0.00 -0.02 0.00 0.00 57.16 55.22 2whq n GLU 431 Cb 0.50 -0.97 -0.09 0.00 -0.02 0.00 0.00 31.44 30.86 2whq n GLU 431 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2whq s HIS 432 N -1.14 3.33 -0.32 -0.32 2.46 -1.25 -4.94 115.29 113.11 2whq s HIS 432 Ca 0.07 0.28 -0.21 0.00 0.47 0.00 0.00 55.06 55.67 2whq s HIS 432 Cb 0.06 -2.30 -0.00 0.00 -0.13 0.00 0.00 32.58 30.21 2whq s HIS 432 CO 0.01 0.07 0.68 0.50 -2.47 0.00 0.00 174.74 173.53 2whq s ARG 433 N 1.05 3.84 0.16 2.88 3.52 -1.26 -4.93 118.95 124.22 2whq s ARG 433 Ca 0.09 0.30 -0.34 0.00 -0.13 0.00 0.00 55.73 55.66 2whq s ARG 433 Cb -0.14 -3.76 -0.15 0.00 -1.56 0.00 0.00 34.95 29.35 2whq s ARG 433 CO 0.05 -0.67 1.36 0.00 -0.81 0.00 0.00 175.30 175.23 2whq n ALA 434 N 6.05 0.12 0.26 6.12 0.00 -1.26 -4.84 120.51 126.96 2whq n ALA 434 Ca 0.00 0.46 0.11 0.00 0.00 0.00 0.00 53.44 54.02 2whq n ALA 434 Cb 0.49 -2.17 0.73 0.00 0.00 0.00 0.00 19.45 18.49 2whq n ALA 434 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2whq h SER 435 N 4.47 0.00 -0.08 0.00 4.64 -1.96 -2.19 113.55 118.43 2whq h SER 435 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2whq h SER 435 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2whq h SER 435 CO 0.78 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 177.09 2whq n THR 436 N -4.30 0.09 -1.72 2.95 -2.24 -1.26 -4.96 114.28 102.84 2whq n THR 436 Ca -0.02 -0.27 -0.43 0.00 -2.27 0.00 0.00 64.05 61.07 2whq n THR 436 Cb 0.12 0.35 -0.02 0.00 -2.10 0.00 0.00 70.33 68.68 2whq n THR 436 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2whq n LEU 437 N 0.12 3.96 0.02 3.22 7.94 -0.83 -4.92 117.00 126.52 2whq n LEU 437 Ca 0.18 1.12 0.11 0.00 -1.11 0.00 0.00 56.01 56.31 2whq n LEU 437 Cb 0.32 -1.55 -0.04 0.00 0.53 0.00 0.00 43.42 42.68 2whq n LEU 437 CO 0.15 0.01 -0.17 0.35 -1.11 0.00 0.00 177.39 176.62 2whq n THR 438 N 2.59 0.12 -1.95 1.96 -2.24 -1.26 -4.91 114.28 108.59 2whq n THR 438 Ca 0.11 -0.26 -0.35 0.00 -2.27 0.00 0.00 64.05 61.28 2whq n THR 438 Cb 0.35 0.29 0.04 0.00 -2.10 0.00 0.00 70.33 68.90 2whq n THR 438 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2whq s TRP 439 N -3.24 2.47 0.96 4.78 0.52 -1.26 -4.95 118.94 118.22 2whq s TRP 439 Ca 0.02 1.54 -0.11 0.00 0.02 0.00 0.00 56.10 57.57 2whq s TRP 439 Cb 0.14 -3.36 0.17 0.00 -1.15 0.00 0.00 33.47 29.27 2whq s TRP 439 CO 0.84 -1.98 1.10 -1.25 0.02 0.00 0.00 176.95 175.67 2whq s PRO 440 N -3.56 0.71 0.40 4.98 0.04 -1.26 -4.94 135.00 131.38 2whq s PRO 440 Ca 0.73 1.15 0.09 0.00 0.04 0.00 0.00 61.00 63.01 2whq s PRO 440 Cb -0.26 -1.72 0.84 0.00 0.04 0.00 0.00 34.50 33.40 2whq s PRO 440 CO 0.35 -2.71 1.99 -0.07 0.04 0.00 0.00 177.00 176.60 2whq h LEU 441 N -1.91 0.33 -1.46 -3.56 3.38 -1.94 -2.75 115.31 107.40 2whq h LEU 441 Ca -0.49 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.44 2whq h LEU 441 Cb 1.28 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2whq h LEU 441 CO 0.48 0.35 0.00 4.11 0.09 0.00 0.00 178.44 183.47 2whq h TRP 442 N 0.37 0.00 0.00 1.13 5.08 -1.94 -0.95 115.95 119.64 2whq h TRP 442 Ca 0.09 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.06 2whq h TRP 442 Cb 0.16 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.32 2whq h TRP 442 CO 0.00 0.00 0.00 -1.33 -1.28 0.00 0.00 178.44 175.83 2whq n MET 443 N -2.66 0.18 0.00 0.12 2.81 -1.04 -4.98 117.12 111.57 2whq n MET 443 Ca 0.00 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 2whq n MET 443 Cb 0.19 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 2whq n MET 443 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2whq n GLY 444 N 1.31 3.79 3.26 3.03 0.00 -0.36 -3.80 105.19 112.42 2whq n GLY 444 Ca 0.10 -0.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 2whq n GLY 444 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2whq s VAL 445 N 0.00 4.98 0.57 1.61 1.01 -1.26 -4.86 120.40 122.45 2whq s VAL 445 Ca 0.00 -2.38 -0.14 0.00 0.00 0.00 0.00 61.98 59.46 2whq s VAL 445 Cb 0.00 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 32.18 2whq s VAL 445 CO 0.00 -0.95 1.01 -2.84 0.00 0.00 0.00 175.10 172.32 2whq s PRO 446 N 0.43 3.77 0.02 2.72 0.02 -1.25 -1.59 135.00 139.13 2whq s PRO 446 Ca 0.14 0.86 -0.39 0.00 0.02 0.00 0.00 61.00 61.63 2whq s PRO 446 Cb -0.17 -2.11 -0.19 0.00 0.02 0.00 0.00 34.50 32.05 2whq s PRO 446 CO -0.05 -0.42 1.11 1.58 -0.33 0.00 0.00 177.00 178.89 2whq n HIS 447 N -2.15 0.80 0.00 6.54 -0.00 -1.24 -2.25 115.22 116.92 2whq n HIS 447 Ca 0.06 0.97 0.00 0.00 -0.00 0.00 0.00 57.72 58.75 2whq n HIS 447 Cb 0.54 -2.14 0.00 0.00 -0.00 0.00 0.00 29.99 28.39 2whq n HIS 447 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2whq n GLY 448 N 1.72 1.99 1.14 1.57 0.00 -1.26 -4.92 105.19 105.43 2whq n GLY 448 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 2whq n GLY 448 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2whq n TYR 449 N -2.00 0.94 0.07 1.61 4.02 -0.95 -2.92 117.16 117.93 2whq n TYR 449 Ca 0.00 -0.41 0.09 0.00 -0.01 0.00 0.00 57.90 57.58 2whq n TYR 449 Cb 0.00 -0.11 -0.04 0.00 -0.02 0.00 0.00 39.34 39.17 2whq n TYR 449 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2whq n GLU 450 N 0.93 0.62 -0.22 -0.72 0.00 -1.26 -4.54 120.64 115.44 2whq n GLU 450 Ca 0.19 0.09 -0.06 0.00 0.00 0.00 0.00 57.16 57.38 2whq n GLU 450 Cb 0.59 -1.78 0.05 0.00 0.00 0.00 0.00 31.44 30.30 2whq n GLU 450 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 2whq h ILE 451 N 0.00 1.15 -0.27 3.84 2.04 -1.92 -2.27 117.51 120.09 2whq h ILE 451 Ca -0.03 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 2whq h ILE 451 Cb 1.10 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 2whq h ILE 451 CO 0.01 0.15 0.15 1.05 0.00 0.00 0.00 178.15 179.51 2whq h GLU 452 N 0.84 0.36 -0.08 2.37 4.11 -1.80 -1.02 114.58 119.37 2whq h GLU 452 Ca 0.23 -0.03 -0.16 0.00 0.07 0.00 0.00 59.36 59.48 2whq h GLU 452 Cb -0.08 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.10 2whq h GLU 452 CO -0.06 0.27 -0.56 0.74 0.07 0.00 0.00 179.01 179.47 2whq h PHE 453 N 0.37 0.72 -0.94 2.06 0.04 -1.70 -0.88 116.94 116.61 2whq h PHE 453 Ca 0.10 -0.33 -0.00 0.00 2.80 0.00 0.00 57.97 60.53 2whq h PHE 453 Cb 0.01 -0.11 -0.05 0.00 2.20 0.00 0.00 35.95 38.01 2whq h PHE 453 CO 0.00 1.13 0.59 0.82 -0.60 0.00 0.00 178.31 180.24 2whq h ILE 454 N 0.11 1.25 0.00 -0.55 1.08 -1.03 -2.36 117.51 116.02 2whq h ILE 454 Ca -0.05 -0.52 0.00 0.00 -0.39 0.00 0.00 64.86 63.90 2whq h ILE 454 Cb 1.22 -0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 2whq h ILE 454 CO 0.11 0.26 0.00 0.49 -0.69 0.00 0.00 178.15 178.32 2whq n PHE 455 N -4.37 0.10 -0.76 1.37 3.01 -0.42 -4.49 117.46 111.89 2whq n PHE 455 Ca 0.11 0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.60 2whq n PHE 455 Cb 0.04 -0.55 0.00 0.00 -0.01 0.00 0.00 39.48 38.97 2whq n PHE 455 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2whq n GLY 456 N 1.33 0.56 0.36 1.37 0.00 -0.89 -4.13 105.19 103.78 2whq n GLY 456 Ca 0.06 -0.80 0.10 0.00 0.00 0.00 0.00 46.02 45.39 2whq n GLY 456 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2whq h LEU 457 N 0.00 0.54 -1.43 0.99 4.07 -1.42 -0.77 115.31 117.29 2whq h LEU 457 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2whq h LEU 457 Cb 0.03 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.67 2whq h LEU 457 CO 0.00 0.32 0.13 -0.65 -1.08 0.00 0.00 178.44 177.16 2whq h PRO 458 N 0.60 0.00 0.00 1.13 0.11 -1.90 -0.85 132.00 131.09 2whq h PRO 458 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 2whq h PRO 458 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 2whq h PRO 458 CO -0.11 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.96 2whq n LEU 459 N -2.31 0.21 -4.52 2.35 4.32 -0.29 -4.48 117.00 112.28 2whq n LEU 459 Ca -0.01 0.54 -0.43 0.00 -0.02 0.00 0.00 56.01 56.09 2whq n LEU 459 Cb 0.16 -0.50 -0.08 0.00 -1.62 0.00 0.00 43.42 41.39 2whq n LEU 459 CO 0.10 -0.24 0.26 -0.62 -1.22 0.00 0.00 177.39 175.66 2whq s ASP 460 N -3.40 6.28 0.30 -1.43 2.15 -0.33 -4.78 116.67 115.47 2whq s ASP 460 Ca 0.09 -0.38 -0.00 0.00 0.43 0.00 0.00 52.55 52.68 2whq s ASP 460 Cb 0.12 -2.28 0.49 0.00 -0.30 0.00 0.00 42.92 40.96 2whq s ASP 460 CO 0.39 -0.65 1.93 -0.65 -0.17 0.00 0.00 175.17 176.02 2whq h PRO 461 N 8.74 1.04 0.00 4.34 0.11 -1.87 -1.27 132.00 143.09 2whq h PRO 461 Ca -0.26 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2whq h PRO 461 Cb 1.11 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2whq h PRO 461 CO 0.83 0.69 0.00 -1.13 -0.21 0.00 0.00 178.00 178.18 2whq n SER 462 N -4.46 0.00 0.03 -2.05 3.41 -1.26 -2.14 113.62 107.15 2whq n SER 462 Ca 0.12 0.22 0.12 0.00 -0.26 0.00 0.00 58.87 59.07 2whq n SER 462 Cb 0.14 -0.28 0.12 0.00 -0.26 0.00 0.00 64.21 63.94 2whq n SER 462 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2whq n LEU 463 N -1.28 0.63 -0.02 1.04 4.77 -0.48 -4.99 117.00 116.68 2whq n LEU 463 Ca 0.02 0.07 -0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2whq n LEU 463 Cb 0.03 -0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2whq n LEU 463 CO 0.03 0.02 -0.00 0.59 -1.33 0.00 0.00 177.39 176.70 2whq n ASN 464 N -1.93 -3.07 -4.74 -1.43 3.02 -0.91 -5.03 115.26 101.16 2whq n ASN 464 Ca 0.03 0.01 -0.32 0.00 -0.03 0.00 0.00 54.58 54.26 2whq n ASN 464 Cb 0.42 -0.60 0.09 0.00 -0.61 0.00 0.00 39.78 39.08 2whq n ASN 464 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2whq s TYR 465 N -1.99 2.30 0.81 3.10 2.02 -1.26 -4.90 117.35 117.42 2whq s TYR 465 Ca 0.00 1.61 -0.12 0.00 -0.37 0.00 0.00 57.07 58.19 2whq s TYR 465 Cb 0.00 -3.24 0.08 0.00 -0.40 0.00 0.00 41.96 38.40 2whq s TYR 465 CO 0.00 -2.14 1.10 0.95 -1.57 0.00 0.00 175.55 173.90 2whq s THR 466 N -2.47 2.96 0.29 -0.71 -4.23 -1.26 -4.89 115.64 105.33 2whq s THR 466 Ca 0.67 0.31 -0.02 0.00 -1.18 0.00 0.00 61.69 61.47 2whq s THR 466 Cb -0.22 -3.06 0.22 0.00 1.34 0.00 0.00 72.50 70.79 2whq s THR 466 CO 0.49 -0.41 1.91 0.00 -0.54 0.00 0.00 174.62 176.08 2whq h THR 467 N -1.13 1.22 -0.18 3.99 1.03 -1.97 -1.52 112.91 114.36 2whq h THR 467 Ca -0.47 -0.54 -0.05 0.00 -0.01 0.00 0.00 66.41 65.34 2whq h THR 467 Cb 1.27 0.22 -0.01 0.00 -1.07 0.00 0.00 68.15 68.56 2whq h THR 467 CO 0.60 0.24 -0.12 -0.33 -0.01 0.00 0.00 175.52 175.90 2whq h GLU 468 N 1.03 0.28 -0.10 0.00 3.07 -1.99 -2.11 114.58 114.75 2whq h GLU 468 Ca 0.26 -0.07 -0.17 0.00 -0.50 0.00 0.00 59.36 58.89 2whq h GLU 468 Cb 0.02 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 2whq h GLU 468 CO -0.04 0.41 -0.65 0.93 -1.40 0.00 0.00 179.01 178.26 2whq h GLU 469 N 0.27 0.39 -0.15 2.33 5.08 -1.67 -0.48 114.58 120.36 2whq h GLU 469 Ca 0.05 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2whq h GLU 469 Cb 0.38 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2whq h GLU 469 CO 0.02 0.91 0.06 -0.09 -1.00 0.00 0.00 179.01 178.91 2whq h ARG 470 N 0.28 0.21 -0.59 2.33 1.12 -0.93 0.86 114.38 117.66 2whq h ARG 470 Ca -0.01 -0.04 0.03 0.00 -1.11 0.00 0.00 59.98 58.86 2whq h ARG 470 Cb 1.19 -0.04 -0.04 0.00 -0.01 0.00 0.00 29.97 31.08 2whq h ARG 470 CO 0.11 0.28 0.35 0.82 -3.11 0.00 0.00 179.97 178.42 2whq h ILE 471 N 0.10 1.04 -0.43 1.20 2.04 -1.28 -1.38 117.51 118.79 2whq h ILE 471 Ca 0.05 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 2whq h ILE 471 Cb 0.14 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 2whq h ILE 471 CO -0.01 0.12 0.17 0.15 0.00 0.00 0.00 178.15 178.59 2whq h PHE 472 N 0.68 0.67 -0.91 1.37 3.57 -0.91 -1.92 116.94 119.50 2whq h PHE 472 Ca 0.25 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 2whq h PHE 472 Cb 0.06 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 2whq h PHE 472 CO -0.07 0.58 0.54 0.00 -2.23 0.00 0.00 178.31 177.14 2whq h ALA 473 N 1.01 1.25 -0.81 2.41 0.00 -0.44 -1.75 119.26 120.94 2whq h ALA 473 Ca 0.14 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2whq h ALA 473 Cb 0.20 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 2whq h ALA 473 CO -0.01 0.64 0.34 1.96 0.00 0.00 0.00 179.25 182.18 2whq h GLN 474 N 1.25 1.20 -0.47 0.00 4.20 -0.94 -0.49 115.11 119.86 2whq h GLN 474 Ca 0.32 -0.21 0.03 0.00 0.06 0.00 0.00 58.65 58.86 2whq h GLN 474 Cb -0.05 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 27.49 2whq h GLN 474 CO -0.06 0.96 0.25 0.00 -0.67 0.00 0.00 178.83 179.31 2whq h ARG 475 N 1.17 0.48 -0.35 1.46 3.08 -0.81 -1.96 114.38 117.46 2whq h ARG 475 Ca 0.27 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 60.15 2whq h ARG 475 Cb 0.19 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2whq h ARG 475 CO -0.03 0.32 -0.35 -0.07 -1.07 0.00 0.00 179.97 178.78 2whq h LEU 476 N 0.50 0.83 -1.10 3.04 3.38 -0.73 -1.30 115.31 119.93 2whq h LEU 476 Ca 0.20 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2whq h LEU 476 Cb 0.08 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2whq h LEU 476 CO -0.13 1.10 0.37 0.24 0.09 0.00 0.00 178.44 180.11 2whq h MET 477 N 0.66 1.00 0.10 1.13 2.86 -1.02 -1.15 114.93 118.51 2whq h MET 477 Ca 0.06 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2whq h MET 477 Cb 0.90 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.36 2whq h MET 477 CO 0.08 0.75 -0.05 0.87 1.06 0.00 0.00 176.91 179.63 2whq h LYS 478 N 1.00 -0.12 -0.01 1.72 1.79 -0.88 -1.16 116.57 118.91 2whq h LYS 478 Ca 0.25 0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.75 2whq h LYS 478 Cb 0.06 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.71 2whq h LYS 478 CO -0.04 0.05 -0.15 1.88 -1.08 0.00 0.00 179.45 180.11 2whq h TYR 479 N -0.28 -0.40 -0.33 -1.35 0.05 -0.94 0.31 116.97 114.04 2whq h TYR 479 Ca -0.01 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.80 2whq h TYR 479 Cb 0.23 0.18 -0.03 0.00 1.01 0.00 0.00 36.73 38.12 2whq h TYR 479 CO -0.02 -0.23 0.17 -1.49 -1.05 0.00 0.00 178.16 175.54 2whq h TRP 480 N -0.25 0.32 -0.05 4.88 6.55 -1.24 0.18 115.95 126.34 2whq h TRP 480 Ca 0.05 0.01 -0.19 0.00 0.95 0.00 0.00 58.89 59.72 2whq h TRP 480 Cb 0.32 -0.10 -0.01 0.00 -0.86 0.00 0.00 29.16 28.52 2whq h TRP 480 CO -0.21 0.18 -0.78 1.79 -1.05 0.00 0.00 178.44 178.37 2whq h THR 481 N 0.36 1.41 -0.64 1.49 1.35 -1.08 0.76 112.91 116.55 2whq h THR 481 Ca 0.14 -2.26 0.04 0.00 -0.55 0.00 0.00 66.41 63.78 2whq h THR 481 Cb 0.04 2.22 -0.05 0.00 -1.73 0.00 0.00 68.15 68.63 2whq h THR 481 CO -0.09 0.67 0.38 0.78 -0.25 0.00 0.00 175.52 177.01 2whq h ASN 482 N 0.23 0.59 -0.40 5.36 2.35 -0.23 0.15 115.58 123.64 2whq h ASN 482 Ca -0.04 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 2whq h ASN 482 Cb 1.37 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.61 2whq h ASN 482 CO 0.13 0.40 0.19 0.15 -1.65 0.00 0.00 177.43 176.65 2whq h PHE 483 N 0.73 0.58 -0.75 1.19 3.57 -0.23 -1.81 116.94 120.22 2whq h PHE 483 Ca 0.27 -0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.82 2whq h PHE 483 Cb 0.09 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.59 2whq h PHE 483 CO -0.06 0.49 0.42 0.00 -2.23 0.00 0.00 178.31 176.92 2whq h ALA 484 N 1.03 1.03 -0.39 2.41 0.00 -0.23 0.46 119.26 123.57 2whq h ALA 484 Ca 0.14 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 2whq h ALA 484 Cb 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2whq h ALA 484 CO -0.02 0.07 -0.31 0.00 0.00 0.00 0.00 179.25 179.00 2whq h ARG 485 N 0.74 0.86 0.00 0.00 3.08 -0.73 -3.40 114.38 114.92 2whq h ARG 485 Ca 0.35 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2whq h ARG 485 Cb 0.27 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2whq h ARG 485 CO -0.22 1.05 -0.07 0.25 -1.07 0.00 0.00 179.97 179.91 2whq n THR 486 N -4.08 0.00 -0.96 2.04 -2.24 -0.70 -5.01 114.28 103.33 2whq n THR 486 Ca -0.01 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2whq n THR 486 Cb 0.50 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 2whq n THR 486 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2whq n GLY 487 N 0.45 0.49 2.72 3.38 0.00 0.16 -5.02 105.19 107.37 2whq n GLY 487 Ca 0.00 -0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 2whq n GLY 487 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2whq s ASP 488 N -2.20 1.02 0.00 1.61 -1.08 -1.26 -4.88 116.67 109.88 2whq s ASP 488 Ca 0.00 0.16 0.23 0.00 -0.52 0.00 0.00 52.55 52.41 2whq s ASP 488 Cb 0.00 -0.02 1.01 0.00 -1.46 0.00 0.00 42.92 42.45 2whq s ASP 488 CO 0.00 -0.25 1.73 -0.81 0.52 0.00 0.00 175.17 176.36 2whq n PRO 489 N 5.31 0.07 -2.35 4.34 -0.04 -1.26 -3.27 135.00 137.79 2whq n PRO 489 Ca -0.04 0.10 -0.39 0.00 -0.04 0.00 0.00 63.50 63.14 2whq n PRO 489 Cb 0.50 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 2whq n PRO 489 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2whq s ASN 490 N -2.91 6.75 -0.00 3.54 0.01 -1.26 -4.37 114.94 116.69 2whq s ASN 490 Ca 0.13 2.32 -0.30 0.00 -0.71 0.00 0.00 52.86 54.30 2whq s ASN 490 Cb 0.15 -2.62 -0.06 0.00 0.41 0.00 0.00 41.25 39.13 2whq s ASN 490 CO 0.40 -0.52 1.54 -0.62 -1.51 0.00 0.00 177.10 176.39 2whq s ASP 491 N -1.07 6.73 0.42 -1.22 -1.08 -1.26 -4.90 116.67 114.29 2whq s ASP 491 Ca 0.53 2.23 0.08 0.00 -0.52 0.00 0.00 52.55 54.88 2whq s ASP 491 Cb -0.31 -2.55 0.90 0.00 -1.46 0.00 0.00 42.92 39.50 2whq s ASP 491 CO 0.39 -0.83 2.07 -0.65 0.52 0.00 0.00 175.17 176.67 2whq h PRO 492 N 8.47 0.48 -6.15 4.34 0.11 -1.93 -3.40 132.00 133.92 2whq h PRO 492 Ca -0.39 -0.03 -0.56 0.00 0.11 0.00 0.00 66.00 65.13 2whq h PRO 492 Cb 1.18 -0.11 -0.20 0.00 0.11 0.00 0.00 31.00 31.98 2whq h PRO 492 CO 0.93 0.32 -0.81 -0.98 -0.21 0.00 0.00 178.00 177.25 2whq s ARG 493 N -5.45 1.24 0.00 1.05 1.04 -1.26 -5.02 118.95 110.56 2whq s ARG 493 Ca -0.08 -1.32 0.00 0.00 -1.04 0.00 0.00 55.73 53.29 2whq s ARG 493 Cb 0.17 -1.44 0.00 0.00 -2.04 0.00 0.00 34.95 31.65 2whq s ARG 493 CO 0.72 0.31 0.00 -3.47 -0.04 0.00 0.00 175.30 172.83 2whq n ASP 494 N 0.64 0.00 0.00 -2.89 2.03 -1.26 -5.12 116.55 109.96 2whq n ASP 494 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 2whq n ASP 494 Cb 0.55 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 2whq n ASP 494 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2whq n SER 495 N 0.00 0.00 0.00 1.67 2.88 -1.26 -4.87 113.62 112.04 2whq n SER 495 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2whq n SER 495 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2whq n SER 495 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2whq n LYS 496 N 0.00 0.00 0.00 -1.46 3.00 -1.26 -4.90 118.16 113.55 2whq n LYS 496 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2whq n LYS 496 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2whq n LYS 496 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2whq n SER 497 N 0.00 0.00 -4.79 3.14 3.41 -1.26 -4.94 113.62 109.18 2whq n SER 497 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 2whq n SER 497 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2whq n SER 497 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 2whq s PRO 498 N 0.00 4.49 0.47 4.33 0.02 -1.26 -5.00 135.00 138.05 2whq s PRO 498 Ca 0.00 1.29 -0.16 0.00 0.02 0.00 0.00 61.00 62.15 2whq s PRO 498 Cb 0.00 -2.65 -0.08 0.00 0.02 0.00 0.00 34.50 31.79 2whq s PRO 498 CO 0.00 0.20 0.92 -0.65 -0.33 0.00 0.00 177.00 177.14 2whq s GLN 499 N -2.32 3.96 -0.47 5.54 -1.52 -1.26 -4.84 119.66 118.75 2whq s GLN 499 Ca 0.53 0.86 -0.24 0.00 -1.95 0.00 0.00 55.36 54.56 2whq s GLN 499 Cb -0.16 -2.21 0.03 0.00 -0.22 0.00 0.00 33.01 30.44 2whq s GLN 499 CO 0.21 -0.16 0.84 -0.46 -0.25 0.00 0.00 175.29 175.48 2whq s TRP 500 N -2.47 2.95 0.41 0.91 -0.11 -1.26 -4.95 118.94 114.42 2whq s TRP 500 Ca 0.57 0.20 -0.14 0.00 1.22 0.00 0.00 56.10 57.96 2whq s TRP 500 Cb -0.10 -3.81 -0.08 0.00 -1.50 0.00 0.00 33.47 27.99 2whq s TRP 500 CO 0.28 -1.07 0.82 -1.25 -4.62 0.00 0.00 176.95 171.12 2whq s PRO 501 N 3.50 3.89 0.49 5.86 0.04 -1.26 -4.87 135.00 142.65 2whq s PRO 501 Ca 0.32 0.66 -0.23 0.00 0.04 0.00 0.00 61.00 61.79 2whq s PRO 501 Cb -0.12 -2.33 -0.07 0.00 0.04 0.00 0.00 34.50 32.02 2whq s PRO 501 CO 0.23 -0.05 1.27 -2.30 0.04 0.00 0.00 177.00 176.20 2whq n PRO 502 N -1.11 1.75 -2.56 0.56 -0.02 -1.26 -4.71 135.00 127.65 2whq n PRO 502 Ca 0.04 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.73 2whq n PRO 502 Cb 0.54 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 2whq n PRO 502 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2whq s TYR 503 N -1.27 3.56 0.15 6.00 6.14 0.15 -4.54 117.35 127.54 2whq s TYR 503 Ca 0.66 1.51 0.05 0.00 0.64 0.00 0.00 57.07 59.93 2whq s TYR 503 Cb -0.46 -3.27 -0.04 0.00 0.42 0.00 0.00 41.96 38.60 2whq s TYR 503 CO 0.54 -0.64 -0.10 0.95 0.64 0.00 0.00 175.55 176.93 2whq s THR 504 N 0.91 1.18 0.24 4.34 -4.23 -1.26 -4.44 115.64 112.39 2whq s THR 504 Ca 0.55 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 2whq s THR 504 Cb -0.26 -1.85 0.02 0.00 1.34 0.00 0.00 72.50 71.75 2whq s THR 504 CO 0.29 -0.74 1.63 0.71 -0.54 0.00 0.00 174.62 175.97 2whq h THR 505 N 2.79 1.30 0.87 3.99 1.35 -1.90 0.18 112.91 121.48 2whq h THR 505 Ca -0.37 -1.51 -0.04 0.00 -0.55 0.00 0.00 66.41 63.94 2whq h THR 505 Cb 1.19 1.53 0.01 0.00 -1.73 0.00 0.00 68.15 69.15 2whq h THR 505 CO 0.63 0.47 -0.42 0.00 -0.25 0.00 0.00 175.52 175.95 2whq h ALA 506 N 1.17 -1.18 0.00 6.62 0.00 -2.00 -3.37 119.26 120.50 2whq h ALA 506 Ca 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2whq h ALA 506 Cb 0.85 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2whq h ALA 506 CO 0.07 -1.16 -2.00 0.00 0.00 0.00 0.00 179.25 176.15 2whq n ALA 507 N -2.60 2.76 -3.94 0.00 0.00 -1.24 -5.01 120.51 110.49 2whq n ALA 507 Ca -0.16 -0.54 -0.30 0.00 0.00 0.00 0.00 53.44 52.44 2whq n ALA 507 Cb 0.47 -0.73 0.02 0.00 0.00 0.00 0.00 19.45 19.20 2whq n ALA 507 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2whq n GLN 508 N -2.28 -5.18 -2.72 0.00 6.02 0.05 -4.41 117.38 108.86 2whq n GLN 508 Ca -0.05 0.57 -0.39 0.00 -0.01 0.00 0.00 57.00 57.12 2whq n GLN 508 Cb 0.59 -5.41 -0.06 0.00 1.02 0.00 0.00 30.24 26.38 2whq n GLN 508 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2whq s GLN 509 N -6.63 4.76 0.22 -1.09 -0.21 -1.26 -1.21 119.66 114.24 2whq s GLN 509 Ca 0.63 1.49 -0.09 0.00 0.02 0.00 0.00 55.36 57.41 2whq s GLN 509 Cb -0.32 -3.15 -0.02 0.00 1.00 0.00 0.00 33.01 30.53 2whq s GLN 509 CO 0.84 0.41 0.35 1.52 -2.12 0.00 0.00 175.29 176.29 2whq s TYR 510 N -1.28 0.62 0.15 0.91 1.13 -0.14 -3.91 117.35 114.83 2whq s TYR 510 Ca 0.44 -0.94 0.10 0.00 -1.41 0.00 0.00 57.07 55.26 2whq s TYR 510 Cb -0.25 -0.08 -0.04 0.00 -1.10 0.00 0.00 41.96 40.49 2whq s TYR 510 CO 0.31 -0.85 -0.22 0.14 -2.51 0.00 0.00 175.55 172.42 2whq s VAL 511 N -4.06 2.03 -0.13 -3.49 -7.23 -0.94 -0.25 120.40 106.33 2whq s VAL 511 Ca 0.27 -1.82 -0.19 0.00 -1.81 0.00 0.00 61.98 58.43 2whq s VAL 511 Cb 0.02 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 2whq s VAL 511 CO 0.09 -0.11 0.53 -0.94 -0.31 0.00 0.00 175.10 174.36 2whq s SER 512 N -2.34 6.70 -0.42 4.85 1.04 -0.84 -0.89 113.70 121.80 2whq s SER 512 Ca 0.14 0.84 -0.15 0.00 0.48 0.00 0.00 55.95 57.27 2whq s SER 512 Cb -0.08 -2.31 0.03 0.00 0.10 0.00 0.00 66.02 63.76 2whq s SER 512 CO 0.07 -0.07 0.31 -0.76 0.98 0.00 0.00 173.24 173.76 2whq s LEU 513 N 0.93 5.16 0.00 2.42 1.43 -0.02 -3.98 118.68 124.62 2whq s LEU 513 Ca 0.27 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 2whq s LEU 513 Cb -0.16 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 43.91 2whq s LEU 513 CO 0.11 -0.48 0.00 -0.46 0.23 0.00 0.00 176.35 175.76 2whq n ASN 514 N 5.15 0.00 0.23 2.29 0.23 -1.26 -0.99 115.26 120.90 2whq n ASN 514 Ca -0.11 -0.59 0.09 0.00 -0.53 0.00 0.00 54.58 53.44 2whq n ASN 514 Cb 0.46 0.00 0.54 0.00 -2.08 0.00 0.00 39.78 38.70 2whq n ASN 514 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2whq h LEU 515 N 0.00 0.00-10.36 -4.53 3.38 -1.95 -3.44 115.31 98.42 2whq h LEU 515 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 2whq h LEU 515 Cb 0.00 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.80 2whq h LEU 515 CO 0.00 0.23 0.34 -0.54 0.09 0.00 0.00 178.44 178.55 2whq s LYS 516 N -4.01 3.51 0.76 1.13 1.02 -1.26 -5.01 119.74 115.88 2whq s LYS 516 Ca -0.02 0.57 -0.15 0.00 0.02 0.00 0.00 55.97 56.39 2whq s LYS 516 Cb 0.13 -2.15 0.01 0.00 -0.52 0.00 0.00 37.83 35.29 2whq s LYS 516 CO 0.64 -0.52 0.79 -2.30 -0.92 0.00 0.00 175.35 173.04 2whq n PRO 517 N -2.64 0.28 -1.57 -1.68 -0.02 -1.26 -4.83 135.00 123.27 2whq n PRO 517 Ca 0.05 0.15 -0.49 0.00 -2.02 0.00 0.00 63.50 61.19 2whq n PRO 517 Cb 0.55 -2.08 -0.04 0.00 -0.02 0.00 0.00 33.50 31.91 2whq n PRO 517 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2whq n LEU 518 N -1.42 1.44 -4.30 2.45 4.77 -1.26 -4.93 117.00 113.74 2whq n LEU 518 Ca 0.11 1.15 -0.30 0.00 -0.03 0.00 0.00 56.01 56.93 2whq n LEU 518 Cb 0.50 -1.21 -0.16 0.00 -2.33 0.00 0.00 43.42 40.22 2whq n LEU 518 CO 0.49 -1.38 -0.56 -0.70 -1.33 0.00 0.00 177.39 173.91 2whq s GLU 519 N -0.51 2.05 -0.10 3.23 2.12 -1.26 -4.70 118.70 119.53 2whq s GLU 519 Ca 0.72 -0.91 -0.15 0.00 0.36 0.00 0.00 54.97 54.99 2whq s GLU 519 Cb -0.85 -1.99 -0.05 0.00 0.26 0.00 0.00 34.13 31.51 2whq s GLU 519 CO 0.53 0.54 0.37 0.08 -0.54 0.00 0.00 175.26 176.25 2whq s VAL 520 N -0.60 5.20 0.28 3.70 1.01 -1.26 -2.00 120.40 126.74 2whq s VAL 520 Ca 0.10 0.73 0.05 0.00 0.00 0.00 0.00 61.98 62.86 2whq s VAL 520 Cb -0.10 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.53 2whq s VAL 520 CO -0.01 0.44 -0.02 -0.13 0.00 0.00 0.00 175.10 175.38 2whq s ARG 521 N -0.02 1.52 -0.08 2.72 0.52 0.66 -4.96 118.95 119.30 2whq s ARG 521 Ca 0.21 -1.79 0.02 0.00 -0.52 0.00 0.00 55.73 53.66 2whq s ARG 521 Cb -0.15 -0.97 0.01 0.00 0.52 0.00 0.00 34.95 34.36 2whq s ARG 521 CO 0.08 -0.04 -0.14 1.03 0.02 0.00 0.00 175.30 176.26 2whq s ARG 522 N -3.79 1.96 0.00 3.54 0.52 -1.26 -0.96 118.95 118.96 2whq s ARG 522 Ca 0.30 -0.49 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 2whq s ARG 522 Cb 0.05 -1.63 0.00 0.00 0.52 0.00 0.00 34.95 33.90 2whq s ARG 522 CO 0.12 0.01 0.00 0.41 0.02 0.00 0.00 175.30 175.86 2whq n GLY 523 N 3.93 -1.43 3.46 -3.53 0.00 -0.35 -4.92 105.19 102.35 2whq n GLY 523 Ca -0.21 -0.72 -0.44 0.00 0.00 0.00 0.00 46.02 44.65 2whq n GLY 523 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2whq s LEU 524 N 0.00 4.85 -1.39 0.99 2.96 -1.26 -4.30 118.68 120.53 2whq s LEU 524 Ca 0.00 -1.92 -0.02 0.00 -0.22 0.00 0.00 54.13 51.97 2whq s LEU 524 Cb 0.00 -2.42 0.01 0.00 0.50 0.00 0.00 46.19 44.29 2whq s LEU 524 CO 0.00 -1.13 0.58 0.54 -1.32 0.00 0.00 176.35 175.02 2whq n ARG 525 N 6.86 -4.08 -0.16 1.98 5.12 -1.26 -4.76 116.66 120.36 2whq n ARG 525 Ca 0.23 0.50 -0.04 0.00 -1.93 0.00 0.00 57.85 56.61 2whq n ARG 525 Cb 0.49 -4.88 0.05 0.00 -1.16 0.00 0.00 32.46 26.97 2whq n ARG 525 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2whq h ALA 526 N 0.86 0.64 0.00 7.54 0.00 -1.93 0.20 119.26 126.57 2whq h ALA 526 Ca -0.62 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 2whq h ALA 526 Cb 1.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2whq h ALA 526 CO 0.61 -0.10 -0.00 1.96 0.00 0.00 0.00 179.25 181.72 2whq h GLN 527 N 0.49 -0.00 -0.48 0.00 1.08 -1.96 -1.85 115.11 112.38 2whq h GLN 527 Ca 0.22 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.33 2whq h GLN 527 Cb 0.13 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 2whq h GLN 527 CO -0.16 0.36 -0.08 1.15 -0.95 0.00 0.00 178.83 179.16 2whq h THR 528 N -0.37 1.26 0.00 -0.54 2.02 -1.91 -2.62 112.91 110.75 2whq h THR 528 Ca -0.00 -1.16 -0.06 0.00 0.77 0.00 0.00 66.41 65.96 2whq h THR 528 Cb 0.37 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 2whq h THR 528 CO 0.00 0.40 -0.28 0.00 0.37 0.00 0.00 175.52 176.01 2whq h ALA 530 N 1.72 1.14 0.41 0.00 0.00 -0.96 0.40 119.26 121.96 2whq h ALA 530 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2whq h ALA 530 Cb 0.83 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2whq h ALA 530 CO 0.04 0.58 -0.20 0.35 0.00 0.00 0.00 179.25 180.02 2whq h PHE 531 N 0.87 -0.52 -0.49 0.00 3.57 -1.21 -0.37 116.94 118.79 2whq h PHE 531 Ca 0.19 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 2whq h PHE 531 Cb 0.33 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 2whq h PHE 531 CO 0.02 -0.32 0.22 -1.49 -2.23 0.00 0.00 178.31 174.51 2whq h TRP 532 N -0.56 0.72 0.00 0.41 4.06 -1.25 0.72 115.95 120.06 2whq h TRP 532 Ca -0.06 -0.04 -0.23 0.00 2.06 0.00 0.00 58.89 60.62 2whq h TRP 532 Cb 0.43 -0.22 -0.04 0.00 -1.00 0.00 0.00 29.16 28.33 2whq h TRP 532 CO -0.05 0.59 -1.46 -0.91 -3.56 0.00 0.00 178.44 173.05 2whq h ASN 533 N 0.65 0.00 0.00 -3.49 2.35 -0.23 -3.36 115.58 111.49 2whq h ASN 533 Ca 0.17 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.71 2whq h ASN 533 Cb 0.15 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 2whq h ASN 533 CO -0.02 0.84 -1.73 0.54 -1.65 0.00 0.00 177.43 175.41 2whq n ARG 534 N -3.04 0.30 -0.08 0.81 1.74 -0.19 -4.74 116.66 111.46 2whq n ARG 534 Ca -0.12 0.10 -0.17 0.00 -0.77 0.00 0.00 57.85 56.89 2whq n ARG 534 Cb 0.95 -1.10 -0.12 0.00 -1.02 0.00 0.00 32.46 31.17 2whq n ARG 534 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2whq h PHE 535 N -0.26 0.01 -0.58 -1.55 3.57 -1.01 -3.37 116.94 113.76 2whq h PHE 535 Ca -0.31 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.29 2whq h PHE 535 Cb 1.36 -0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.99 2whq h PHE 535 CO -0.02 1.20 -0.19 1.25 -2.23 0.00 0.00 178.31 178.33 2whq h LEU 536 N -0.98 -0.68 -0.54 0.59 7.12 -1.02 -1.36 115.31 118.44 2whq h LEU 536 Ca -0.14 0.19 0.10 0.00 0.13 0.00 0.00 57.88 58.16 2whq h LEU 536 Cb 1.14 0.41 -0.08 0.00 -0.53 0.00 0.00 40.66 41.59 2whq h LEU 536 CO -0.08 -0.23 0.05 -0.65 -0.13 0.00 0.00 178.44 177.41 2whq h PRO 537 N -0.05 0.17 -0.50 5.25 0.11 -1.75 0.71 132.00 135.94 2whq h PRO 537 Ca 0.27 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.36 2whq h PRO 537 Cb 0.47 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 2whq h PRO 537 CO -0.62 0.11 0.25 0.87 -0.21 0.00 0.00 178.00 178.40 2whq h LYS 538 N 0.18 0.72 -0.70 1.05 1.57 -1.44 -1.56 116.57 116.38 2whq h LYS 538 Ca 0.28 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2whq h LYS 538 Cb 0.42 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 2whq h LYS 538 CO -0.41 0.59 0.42 1.25 -0.57 0.00 0.00 179.45 180.73 2whq h LEU 539 N 0.67 0.85 -0.35 2.94 5.85 -0.43 -1.01 115.31 123.82 2whq h LEU 539 Ca 0.17 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 2whq h LEU 539 Cb 0.11 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2whq h LEU 539 CO -0.02 0.67 0.07 -0.07 -0.34 0.00 0.00 178.44 178.74 2whq h LEU 540 N 0.96 0.55 -0.11 2.25 3.38 -0.69 -0.78 115.31 120.88 2whq h LEU 540 Ca 0.25 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2whq h LEU 540 Cb -0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2whq h LEU 540 CO -0.05 0.66 0.05 0.77 0.09 0.00 0.00 178.44 179.96 2whq h SER 541 N 0.42 0.07 0.09 -0.43 4.64 -0.99 0.21 113.55 117.55 2whq h SER 541 Ca 0.11 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2whq h SER 541 Cb 0.33 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2whq h SER 541 CO 0.00 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 2whq n ALA 542 N -2.15 1.11 0.00 5.18 0.00 -0.41 -4.85 120.51 119.39 2whq n ALA 542 Ca -0.05 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2whq n ALA 542 Cb 0.04 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.42 2whq n ALA 542 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2whq n THR 543 N -1.59 0.00 0.00 0.00 -1.04 0.72 -5.07 114.28 107.31 2whq n THR 543 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2whq n THR 543 Cb 0.03 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.54 2whq n THR 543 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43