#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rjw s LYS 2 N 0.00 4.21 -0.17 3.17 2.20 -1.26 -0.70 119.74 127.19 1rjw s LYS 2 Ca 0.00 0.98 -0.29 0.00 -0.36 0.00 0.00 55.97 56.29 1rjw s LYS 2 Cb 0.00 -2.41 0.12 0.00 -1.51 0.00 0.00 37.83 34.03 1rjw s LYS 2 CO 0.00 0.11 0.96 0.00 -0.36 0.00 0.00 175.35 176.07 1rjw s ALA 3 N -1.98 -1.92 -0.25 3.13 0.00 -0.71 -2.23 121.76 117.80 1rjw s ALA 3 Ca 0.56 1.60 -0.15 0.00 0.00 0.00 0.00 51.96 53.97 1rjw s ALA 3 Cb -0.11 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 1rjw s ALA 3 CO 0.17 -0.31 0.37 0.00 0.00 0.00 0.00 175.76 175.99 1rjw s ALA 4 N -0.91 3.57 0.02 0.00 0.00 -0.47 -1.59 121.76 122.38 1rjw s ALA 4 Ca -0.02 -0.74 0.05 0.00 0.00 0.00 0.00 51.96 51.25 1rjw s ALA 4 Cb -0.01 -2.67 -0.02 0.00 0.00 0.00 0.00 23.12 20.42 1rjw s ALA 4 CO 0.01 -0.54 -0.16 0.54 0.00 0.00 0.00 175.76 175.61 1rjw s VAL 5 N 1.83 1.27 -0.35 0.00 0.11 -0.32 -4.32 120.40 118.62 1rjw s VAL 5 Ca 0.16 -0.93 -0.18 0.00 -2.93 0.00 0.00 61.98 58.09 1rjw s VAL 5 Cb -0.15 -1.11 -0.00 0.00 -1.53 0.00 0.00 36.38 33.59 1rjw s VAL 5 CO 0.09 0.16 0.50 -0.69 -3.33 0.00 0.00 175.10 171.83 1rjw s VAL 6 N -0.68 5.02 -0.17 2.04 1.01 0.08 -0.97 120.40 126.73 1rjw s VAL 6 Ca 0.04 0.30 0.14 0.00 0.00 0.00 0.00 61.98 62.46 1rjw s VAL 6 Cb -0.07 -3.96 -0.24 0.00 0.00 0.00 0.00 36.38 32.11 1rjw s VAL 6 CO 0.01 -0.22 0.18 -0.62 0.00 0.00 0.00 175.10 174.45 1rjw n GLU 7 N 5.72 0.68 -3.83 2.72 1.02 -1.26 -1.24 120.64 124.44 1rjw n GLU 7 Ca -0.05 0.09 -0.12 0.00 -0.02 0.00 0.00 57.16 57.05 1rjw n GLU 7 Cb 0.49 -1.59 -0.12 0.00 -0.02 0.00 0.00 31.44 30.20 1rjw n GLU 7 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1rjw s GLN 8 N -2.52 0.23 0.43 3.49 -0.21 -1.26 -4.79 119.66 115.04 1rjw s GLN 8 Ca -0.12 0.08 -0.25 0.00 0.02 0.00 0.00 55.36 55.09 1rjw s GLN 8 Cb 0.07 0.11 -0.08 0.00 1.00 0.00 0.00 33.01 34.10 1rjw s GLN 8 CO 0.80 -0.04 1.36 -0.06 -2.12 0.00 0.00 175.29 175.24 1rjw s PHE 9 N -0.22 2.62 -1.46 0.91 0.08 -1.26 -2.31 117.98 116.34 1rjw s PHE 9 Ca -0.03 1.34 0.00 0.00 0.12 0.00 0.00 56.93 58.36 1rjw s PHE 9 Cb -0.02 -3.79 0.00 0.00 -0.57 0.00 0.00 43.02 38.63 1rjw s PHE 9 CO 0.00 -2.53 0.00 1.63 -0.10 0.00 0.00 175.22 174.23 1rjw n LYS 10 N -0.09 -1.46 -4.35 0.44 5.02 -0.64 -4.97 118.16 112.11 1rjw n LYS 10 Ca 0.05 0.97 -0.33 0.00 -2.02 0.00 0.00 58.31 56.98 1rjw n LYS 10 Cb 0.43 -5.29 -0.09 0.00 -0.02 0.00 0.00 35.03 30.05 1rjw n LYS 10 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1rjw s GLU 11 N -3.12 2.76 0.52 1.97 0.41 -0.98 -5.07 118.70 115.20 1rjw s GLU 11 Ca 0.00 -0.60 -0.22 0.00 -0.41 0.00 0.00 54.97 53.74 1rjw s GLU 11 Cb 0.00 -2.65 -0.06 0.00 -1.78 0.00 0.00 34.13 29.64 1rjw s GLU 11 CO 0.00 0.63 1.28 -0.35 -0.49 0.00 0.00 175.26 176.34 1rjw n PRO 12 N 1.58 1.65 -2.26 0.39 -0.04 -1.26 -4.82 135.00 130.24 1rjw n PRO 12 Ca -0.15 0.60 -0.36 0.00 -0.04 0.00 0.00 63.50 63.55 1rjw n PRO 12 Cb 0.53 -2.47 -0.00 0.00 -0.04 0.00 0.00 33.50 31.51 1rjw n PRO 12 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1rjw s LEU 13 N -2.77 3.88 -0.21 1.53 1.02 -1.26 -4.79 118.68 116.08 1rjw s LEU 13 Ca 0.69 2.24 -0.06 0.00 0.02 0.00 0.00 54.13 57.02 1rjw s LEU 13 Cb -0.44 -4.42 -0.03 0.00 0.02 0.00 0.00 46.19 41.32 1rjw s LEU 13 CO 0.51 -1.07 0.03 -0.54 0.02 0.00 0.00 176.35 175.30 1rjw s LYS 14 N -3.00 3.70 -0.56 1.70 1.02 -0.14 -4.84 119.74 117.62 1rjw s LYS 14 Ca 0.68 -0.47 -0.22 0.00 0.02 0.00 0.00 55.97 55.98 1rjw s LYS 14 Cb -0.26 -3.17 0.05 0.00 -0.52 0.00 0.00 37.83 33.93 1rjw s LYS 14 CO 0.31 0.02 0.86 0.42 -0.92 0.00 0.00 175.35 176.04 1rjw s ILE 15 N 1.01 4.52 0.29 2.17 1.09 -1.26 -1.17 121.20 127.85 1rjw s ILE 15 Ca 0.03 -0.06 -0.01 0.00 -1.10 0.00 0.00 60.65 59.50 1rjw s ILE 15 Cb -0.14 -4.50 -0.02 0.00 -1.06 0.00 0.00 42.46 36.74 1rjw s ILE 15 CO 0.02 -1.09 0.35 -1.59 -0.10 0.00 0.00 174.94 172.53 1rjw s LYS 16 N 3.59 1.66 0.21 2.79 -2.85 -0.62 -4.93 119.74 119.58 1rjw s LYS 16 Ca 0.24 -1.73 -0.26 0.00 -1.00 0.00 0.00 55.97 53.23 1rjw s LYS 16 Cb -0.15 0.38 -0.08 0.00 -2.06 0.00 0.00 37.83 35.91 1rjw s LYS 16 CO 0.15 -0.64 0.83 -1.21 0.10 0.00 0.00 175.35 174.58 1rjw s GLU 17 N -3.53 4.59 0.17 1.78 0.41 -1.26 -1.74 118.70 119.11 1rjw s GLU 17 Ca 0.34 1.21 -0.04 0.00 -0.41 0.00 0.00 54.97 56.07 1rjw s GLU 17 Cb 0.02 -3.16 -0.03 0.00 -1.78 0.00 0.00 34.13 29.19 1rjw s GLU 17 CO 0.19 0.50 0.18 0.14 -0.49 0.00 0.00 175.26 175.78 1rjw s VAL 18 N -1.26 0.05 0.41 2.63 -7.23 0.12 -4.95 120.40 110.18 1rjw s VAL 18 Ca 0.40 -1.73 -0.27 0.00 -1.81 0.00 0.00 61.98 58.57 1rjw s VAL 18 Cb -0.22 -2.12 -0.10 0.00 0.56 0.00 0.00 36.38 34.50 1rjw s VAL 18 CO 0.26 -0.25 1.45 -1.61 -0.31 0.00 0.00 175.10 174.65 1rjw s GLU 19 N -4.05 3.89 -0.17 4.82 2.02 -1.26 -1.02 118.70 122.93 1rjw s GLU 19 Ca 0.26 2.49 -0.29 0.00 0.02 0.00 0.00 54.97 57.44 1rjw s GLU 19 Cb 0.05 -2.81 -0.00 0.00 0.10 0.00 0.00 34.13 31.48 1rjw s GLU 19 CO 0.05 -0.68 1.03 0.21 0.02 0.00 0.00 175.26 175.89 1rjw s LYS 20 N -2.28 4.33 0.41 1.61 2.20 -1.26 -4.69 119.74 120.07 1rjw s LYS 20 Ca 0.57 1.38 -0.26 0.00 -0.36 0.00 0.00 55.97 57.30 1rjw s LYS 20 Cb -0.45 -3.60 -0.10 0.00 -1.51 0.00 0.00 37.83 32.17 1rjw s LYS 20 CO 0.59 -0.49 1.28 -0.35 -0.36 0.00 0.00 175.35 176.03 1rjw n PRO 21 N 5.72 1.97 -4.07 4.03 -0.04 -1.26 -5.02 135.00 136.34 1rjw n PRO 21 Ca 0.11 0.70 -0.27 0.00 -0.04 0.00 0.00 63.50 64.00 1rjw n PRO 21 Cb 0.47 -2.39 -0.05 0.00 -0.04 0.00 0.00 33.50 31.49 1rjw n PRO 21 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1rjw s THR 22 N -1.18 4.56 0.27 0.52 -1.32 -1.26 -4.94 115.64 112.29 1rjw s THR 22 Ca 0.60 -0.99 0.10 0.00 -1.21 0.00 0.00 61.69 60.19 1rjw s THR 22 Cb -0.51 -3.31 -0.05 0.00 -1.51 0.00 0.00 72.50 67.12 1rjw s THR 22 CO 0.59 -0.07 -0.16 0.27 -2.21 0.00 0.00 174.62 173.04 1rjw s ILE 23 N -1.69 2.16 0.00 5.08 -4.36 -1.26 -4.98 121.20 116.15 1rjw s ILE 23 Ca 0.31 -2.30 0.00 0.00 -0.26 0.00 0.00 60.65 58.40 1rjw s ILE 23 Cb -0.10 -2.29 0.00 0.00 1.25 0.00 0.00 42.46 41.31 1rjw s ILE 23 CO 0.24 -0.42 0.00 -1.54 0.24 0.00 0.00 174.94 173.46 1rjw n SER 24 N -0.57 0.00 -4.60 4.36 3.41 -1.26 -4.98 113.62 109.98 1rjw n SER 24 Ca -0.06 0.00 -0.56 0.00 -0.26 0.00 0.00 58.87 57.99 1rjw n SER 24 Cb 0.61 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.49 1rjw n SER 24 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1rjw n TYR 25 N 0.00 1.39 -1.39 7.33 4.01 -1.26 -2.06 117.16 125.18 1rjw n TYR 25 Ca 0.00 0.77 -0.13 0.00 -0.16 0.00 0.00 57.90 58.38 1rjw n TYR 25 Cb 0.00 -2.28 -0.06 0.00 -0.31 0.00 0.00 39.34 36.69 1rjw n TYR 25 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rjw n GLY 26 N 2.62 1.41 3.49 2.72 0.00 -0.51 -4.92 105.19 110.01 1rjw n GLY 26 Ca 0.21 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 1rjw n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rjw s GLU 27 N -3.12 1.71 0.07 1.61 2.02 -0.87 -1.31 118.70 118.81 1rjw s GLU 27 Ca 0.00 -1.92 0.02 0.00 0.02 0.00 0.00 54.97 53.09 1rjw s GLU 27 Cb 0.00 -1.25 -0.03 0.00 0.10 0.00 0.00 34.13 32.95 1rjw s GLU 27 CO 0.00 -0.04 -0.07 0.14 0.02 0.00 0.00 175.26 175.31 1rjw s VAL 28 N -2.98 0.58 -0.21 2.63 -7.23 -0.45 0.06 120.40 112.80 1rjw s VAL 28 Ca 0.33 -1.58 -0.08 0.00 -1.81 0.00 0.00 61.98 58.84 1rjw s VAL 28 Cb 0.07 -1.24 -0.04 0.00 0.56 0.00 0.00 36.38 35.73 1rjw s VAL 28 CO 0.15 -0.69 0.07 -0.22 -0.31 0.00 0.00 175.10 174.10 1rjw s LEU 29 N -2.45 3.70 -0.16 1.32 0.20 -0.06 -1.49 118.68 119.73 1rjw s LEU 29 Ca 0.03 -0.02 -0.01 0.00 0.69 0.00 0.00 54.13 54.81 1rjw s LEU 29 Cb -0.01 -1.96 -0.01 0.00 -0.43 0.00 0.00 46.19 43.78 1rjw s LEU 29 CO -0.03 0.09 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.32 1rjw s VAL 30 N 0.87 3.07 -0.35 1.68 1.01 -0.47 -0.73 120.40 125.49 1rjw s VAL 30 Ca 0.04 -0.63 -0.25 0.00 0.00 0.00 0.00 61.98 61.14 1rjw s VAL 30 Cb -0.14 -2.32 0.01 0.00 0.00 0.00 0.00 36.38 33.93 1rjw s VAL 30 CO 0.03 0.50 0.86 -0.60 0.00 0.00 0.00 175.10 175.88 1rjw s ARG 31 N 0.71 3.86 0.07 2.72 3.52 0.27 -1.21 118.95 128.89 1rjw s ARG 31 Ca -0.05 0.53 -0.30 0.00 -0.13 0.00 0.00 55.73 55.78 1rjw s ARG 31 Cb -0.15 -3.78 -0.05 0.00 -1.56 0.00 0.00 34.95 29.41 1rjw s ARG 31 CO 0.02 -0.85 1.01 0.42 -0.81 0.00 0.00 175.30 175.08 1rjw s ILE 32 N 3.25 4.53 -0.17 4.11 -1.09 -0.37 -0.97 121.20 130.48 1rjw s ILE 32 Ca 0.35 1.96 0.10 0.00 -2.23 0.00 0.00 60.65 60.83 1rjw s ILE 32 Cb -0.13 -4.25 -0.17 0.00 -1.58 0.00 0.00 42.46 36.33 1rjw s ILE 32 CO 0.16 0.23 -0.01 0.29 -1.23 0.00 0.00 174.94 174.39 1rjw n LYS 33 N 3.27 1.19 -3.46 2.79 4.76 -0.40 -4.71 118.16 121.60 1rjw n LYS 33 Ca 0.04 0.03 -0.13 0.00 -2.87 0.00 0.00 58.31 55.38 1rjw n LYS 33 Cb 0.49 -1.40 -0.03 0.00 -1.84 0.00 0.00 35.03 32.26 1rjw n LYS 33 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1rjw s ALA 34 N -2.38 -1.55 -0.17 7.82 0.00 -1.06 -2.98 121.76 121.45 1rjw s ALA 34 Ca -0.13 0.58 -0.07 0.00 0.00 0.00 0.00 51.96 52.33 1rjw s ALA 34 Cb 0.05 0.70 0.08 0.00 0.00 0.00 0.00 23.12 23.95 1rjw s ALA 34 CO 0.58 -0.68 0.38 0.00 0.00 0.00 0.00 175.76 176.04 1rjw s GLY 36 N 2.21 2.39 -0.25 0.00 0.00 -0.71 -0.30 107.32 110.66 1rjw s GLY 36 Ca -0.03 0.73 -0.09 0.00 0.00 0.00 0.00 44.72 45.33 1rjw s GLY 36 CO -0.12 1.09 0.12 0.14 0.00 0.00 0.00 173.10 174.33 1rjw s VAL 37 N -2.04 4.74 0.06 1.40 1.01 -0.21 -4.44 120.40 120.91 1rjw s VAL 37 Ca 0.71 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.72 1rjw s VAL 37 Cb -0.24 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1rjw s VAL 37 CO 0.37 0.32 -0.10 0.00 0.00 0.00 0.00 175.10 175.68 1rjw h HIS 39 N 4.04 0.00 -0.20 0.00 3.86 -2.01 0.32 115.15 121.16 1rjw h HIS 39 Ca -0.48 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 58.68 1rjw h HIS 39 Cb 1.16 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.62 1rjw h HIS 39 CO 0.58 0.00 -0.07 1.15 0.86 0.00 0.00 177.93 180.45 1rjw h THR 40 N 0.00 1.17 -0.52 2.45 2.02 -1.99 -1.97 112.91 114.07 1rjw h THR 40 Ca 0.33 -0.71 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 1rjw h THR 40 Cb 1.35 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.83 1rjw h THR 40 CO -0.00 0.23 0.14 0.44 0.37 0.00 0.00 175.52 176.70 1rjw h ASP 41 N 0.30 0.72 -0.08 4.18 3.32 -0.73 -1.35 116.42 122.78 1rjw h ASP 41 Ca 0.06 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1rjw h ASP 41 Cb 0.32 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1rjw h ASP 41 CO 0.02 0.70 0.01 0.25 -1.72 0.00 0.00 179.24 178.50 1rjw h LEU 42 N 0.76 0.13 -1.82 1.55 5.85 -1.37 -0.36 115.31 120.05 1rjw h LEU 42 Ca 0.17 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1rjw h LEU 42 Cb 0.25 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 1rjw h LEU 42 CO -0.01 0.36 -0.15 0.45 -0.34 0.00 0.00 178.44 178.75 1rjw h HIS 43 N -0.09 0.00 -0.09 1.25 3.86 -1.26 -0.43 115.15 118.39 1rjw h HIS 43 Ca 0.03 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.10 1rjw h HIS 43 Cb 0.28 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.75 1rjw h HIS 43 CO 0.01 0.15 -0.45 0.00 0.86 0.00 0.00 177.93 178.50 1rjw h ALA 44 N 1.85 0.18 -0.05 2.45 0.00 -0.93 -0.37 119.26 122.39 1rjw h ALA 44 Ca -0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1rjw h ALA 44 Cb 0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1rjw h ALA 44 CO 0.02 0.33 -0.08 0.00 0.00 0.00 0.00 179.25 179.52 1rjw h ALA 45 N 0.46 1.78 -0.04 0.00 0.00 -0.23 -1.94 119.26 119.28 1rjw h ALA 45 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1rjw h ALA 45 Cb 1.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1rjw h ALA 45 CO 0.09 0.17 0.00 0.72 0.00 0.00 0.00 179.25 180.23 1rjw n HIS 46 N -4.40 0.02 -4.42 0.00 8.25 -0.25 -1.62 115.22 112.81 1rjw n HIS 46 Ca -0.02 -0.01 -0.39 0.00 -0.26 0.00 0.00 57.72 57.04 1rjw n HIS 46 Cb 0.18 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.22 1rjw n HIS 46 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rjw n GLY 47 N 1.31 -0.36 1.23 -1.41 0.00 -0.17 -4.48 105.19 101.31 1rjw n GLY 47 Ca 0.15 0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.33 1rjw n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rjw n ASP 48 N -2.59 3.55 -4.77 1.61 5.68 -1.11 -4.92 116.55 114.01 1rjw n ASP 48 Ca 0.03 -2.39 -0.22 0.00 -0.50 0.00 0.00 54.79 51.70 1rjw n ASP 48 Cb 0.51 -0.52 -0.05 0.00 -1.14 0.00 0.00 41.12 39.92 1rjw n ASP 48 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 1rjw s TRP 49 N -1.86 2.95 0.14 2.11 0.51 -1.26 -5.04 118.94 116.49 1rjw s TRP 49 Ca 0.34 -0.17 -0.21 0.00 -2.12 0.00 0.00 56.10 53.94 1rjw s TRP 49 Cb 0.23 -1.37 0.01 0.00 -0.81 0.00 0.00 33.47 31.53 1rjw s TRP 49 CO 0.15 0.52 1.66 -1.00 -0.51 0.00 0.00 176.95 177.77 1rjw h PRO 50 N 1.60 -0.14 -5.26 4.98 0.13 -2.01 -3.32 132.00 127.97 1rjw h PRO 50 Ca -0.47 0.01 -0.66 0.00 -0.87 0.00 0.00 66.00 64.02 1rjw h PRO 50 Cb 1.24 0.03 -0.16 0.00 0.13 0.00 0.00 31.00 32.25 1rjw h PRO 50 CO 0.61 -0.10 0.28 0.08 -0.23 0.00 0.00 178.00 178.64 1rjw s VAL 51 N -6.15 4.64 0.39 1.56 1.01 -1.26 -5.04 120.40 115.55 1rjw s VAL 51 Ca -0.14 -0.31 -0.20 0.00 0.00 0.00 0.00 61.98 61.33 1rjw s VAL 51 Cb 0.11 -4.45 -0.10 0.00 0.00 0.00 0.00 36.38 31.94 1rjw s VAL 51 CO 0.68 -1.04 0.89 -0.54 0.00 0.00 0.00 175.10 175.10 1rjw s LYS 52 N 3.25 4.21 0.91 2.72 1.02 -1.25 -5.03 119.74 125.56 1rjw s LYS 52 Ca 0.20 1.03 -0.13 0.00 0.02 0.00 0.00 55.97 57.09 1rjw s LYS 52 Cb -0.18 -2.32 0.14 0.00 -0.52 0.00 0.00 37.83 34.96 1rjw s LYS 52 CO 0.13 0.05 1.15 -1.25 -0.92 0.00 0.00 175.35 174.52 1rjw s PRO 53 N -2.99 1.10 0.71 -1.68 0.04 -1.26 -5.02 135.00 125.90 1rjw s PRO 53 Ca 0.59 0.21 -0.11 0.00 0.04 0.00 0.00 61.00 61.73 1rjw s PRO 53 Cb -0.10 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.61 1rjw s PRO 53 CO 0.15 -2.21 1.08 -1.59 0.04 0.00 0.00 177.00 174.48 1rjw s LYS 54 N -5.35 2.80 -0.02 4.56 -2.85 -1.03 -5.05 119.74 112.79 1rjw s LYS 54 Ca 0.64 0.59 -0.01 0.00 -1.00 0.00 0.00 55.97 56.19 1rjw s LYS 54 Cb -0.13 -2.00 0.01 0.00 -2.06 0.00 0.00 37.83 33.65 1rjw s LYS 54 CO 0.53 -1.10 0.06 -0.51 0.10 0.00 0.00 175.35 174.42 1rjw s LEU 55 N -5.44 1.51 1.12 2.77 1.43 -1.26 -4.07 118.68 114.73 1rjw s LEU 55 Ca 0.58 0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 53.67 1rjw s LEU 55 Cb -0.12 0.14 0.26 0.00 0.03 0.00 0.00 46.19 46.50 1rjw s LEU 55 CO 0.53 -0.06 1.05 -2.84 0.23 0.00 0.00 176.35 175.26 1rjw s PRO 56 N 0.41 -0.57 -0.14 1.29 0.02 -1.26 -5.13 135.00 129.63 1rjw s PRO 56 Ca -0.03 0.99 -0.06 0.00 0.02 0.00 0.00 61.00 61.91 1rjw s PRO 56 Cb -0.05 -1.58 0.06 0.00 0.02 0.00 0.00 34.50 32.95 1rjw s PRO 56 CO -0.01 -3.53 0.30 -1.17 -0.33 0.00 0.00 177.00 172.26 1rjw s LEU 57 N -7.11 -0.05 -0.48 -5.54 1.98 -0.38 -4.95 118.68 102.15 1rjw s LEU 57 Ca 0.68 0.67 -0.18 0.00 -2.89 0.00 0.00 54.13 52.42 1rjw s LEU 57 Cb -0.25 0.91 0.06 0.00 0.66 0.00 0.00 46.19 47.57 1rjw s LEU 57 CO 0.63 -0.20 0.52 -0.63 -1.89 0.00 0.00 176.35 174.78 1rjw s ILE 58 N 1.85 5.02 0.90 6.68 1.01 -1.26 -0.74 121.20 134.65 1rjw s ILE 58 Ca -0.05 -0.63 -0.15 0.00 0.00 0.00 0.00 60.65 59.82 1rjw s ILE 58 Cb -0.11 -4.20 0.22 0.00 0.01 0.00 0.00 42.46 38.38 1rjw s ILE 58 CO -0.10 -0.67 0.81 -2.65 0.00 0.00 0.00 174.94 172.34 1rjw n PRO 59 N 5.79 -2.54 0.00 2.79 -0.02 -1.26 0.90 135.00 140.66 1rjw n PRO 59 Ca -0.08 -1.30 0.00 0.00 -2.02 0.00 0.00 63.50 60.10 1rjw n PRO 59 Cb 0.45 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.73 1rjw n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rjw n GLY 60 N -2.83 1.54 1.11 -1.23 0.00 -1.26 -1.73 105.19 100.78 1rjw n GLY 60 Ca 0.11 -1.14 0.04 0.00 0.00 0.00 0.00 46.02 45.04 1rjw n GLY 60 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1rjw n HIS 61 N 2.50 0.00 -2.38 1.61 1.44 -1.26 -1.84 115.22 115.29 1rjw n HIS 61 Ca 0.00 -0.76 -0.00 0.00 -2.01 0.00 0.00 57.72 54.94 1rjw n HIS 61 Cb 0.00 -0.17 0.06 0.00 0.12 0.00 0.00 29.99 30.00 1rjw n HIS 61 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1rjw n GLU 62 N -0.07 1.22 -2.90 -1.40 1.02 -1.25 -3.61 120.64 113.64 1rjw n GLU 62 Ca 0.10 -2.93 -0.41 0.00 -0.02 0.00 0.00 57.16 53.90 1rjw n GLU 62 Cb 0.96 -1.03 -0.04 0.00 -0.02 0.00 0.00 31.44 31.32 1rjw n GLU 62 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1rjw s GLY 63 N -2.93 2.67 0.00 0.62 0.00 -1.25 -1.73 107.32 104.70 1rjw s GLY 63 Ca 0.35 0.28 0.05 0.00 0.00 0.00 0.00 44.72 45.40 1rjw s GLY 63 CO -0.09 1.43 -0.17 -1.34 0.00 0.00 0.00 173.10 172.94 1rjw s VAL 64 N 1.04 1.31 0.00 1.40 -7.23 -0.18 -0.32 120.40 116.42 1rjw s VAL 64 Ca 0.43 -0.82 0.00 0.00 -1.81 0.00 0.00 61.98 59.78 1rjw s VAL 64 Cb -0.19 -1.11 0.00 0.00 0.56 0.00 0.00 36.38 35.64 1rjw s VAL 64 CO 0.21 0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.89 1rjw n GLY 65 N 2.43 2.14 3.34 2.32 0.00 0.28 -1.28 105.19 114.42 1rjw n GLY 65 Ca -0.15 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 1rjw n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rjw s ILE 66 N -1.60 2.56 -0.28 -0.61 1.01 -0.15 -1.63 121.20 120.51 1rjw s ILE 66 Ca 0.00 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.49 1rjw s ILE 66 Cb 0.00 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 1rjw s ILE 66 CO 0.00 0.56 1.57 -0.69 0.00 0.00 0.00 174.94 176.38 1rjw s VAL 67 N -0.14 3.75 -0.06 2.92 1.01 -0.61 -0.56 120.40 126.71 1rjw s VAL 67 Ca -0.03 0.82 0.13 0.00 0.00 0.00 0.00 61.98 62.91 1rjw s VAL 67 Cb -0.14 -3.84 -0.16 0.00 0.00 0.00 0.00 36.38 32.24 1rjw s VAL 67 CO 0.04 -0.42 0.91 -0.08 0.00 0.00 0.00 175.10 175.55 1rjw h GLU 68 N 10.91 0.00 -1.91 2.72 4.81 -1.29 -0.03 114.58 129.79 1rjw h GLU 68 Ca -0.32 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.89 1rjw h GLU 68 Cb 1.14 0.00 -0.20 0.00 0.63 0.00 0.00 28.75 30.32 1rjw h GLU 68 CO 1.03 0.51 0.25 -1.83 -0.73 0.00 0.00 179.01 178.24 1rjw s GLU 69 N -2.77 0.91 -0.01 1.92 -1.05 -1.21 -4.88 118.70 111.61 1rjw s GLU 69 Ca -0.02 0.41 0.03 0.00 -0.15 0.00 0.00 54.97 55.24 1rjw s GLU 69 Cb 0.08 0.43 -0.03 0.00 -0.44 0.00 0.00 34.13 34.17 1rjw s GLU 69 CO 0.81 -0.25 -0.07 0.14 0.95 0.00 0.00 175.26 176.85 1rjw s VAL 70 N -0.78 3.66 0.78 1.83 -7.23 -1.26 -0.88 120.40 116.51 1rjw s VAL 70 Ca -0.07 -0.73 -0.08 0.00 -1.81 0.00 0.00 61.98 59.29 1rjw s VAL 70 Cb -0.01 -2.58 0.12 0.00 0.56 0.00 0.00 36.38 34.47 1rjw s VAL 70 CO 0.06 0.42 1.10 -0.83 -0.31 0.00 0.00 175.10 175.54 1rjw s GLY 71 N -1.33 1.74 0.42 2.32 0.00 0.11 -4.99 107.32 105.58 1rjw s GLY 71 Ca 0.16 -1.24 -0.26 0.00 0.00 0.00 0.00 44.72 43.39 1rjw s GLY 71 CO 0.07 -0.68 1.40 -4.14 0.00 0.00 0.00 173.10 169.75 1rjw s PRO 72 N -5.41 3.86 0.00 2.90 0.02 -1.26 -2.90 135.00 132.22 1rjw s PRO 72 Ca 0.66 2.38 0.00 0.00 0.02 0.00 0.00 61.00 64.06 1rjw s PRO 72 Cb -0.07 -2.76 0.00 0.00 0.02 0.00 0.00 34.50 31.69 1rjw s PRO 72 CO 0.47 -0.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.89 1rjw n GLY 73 N 0.59 1.25 3.60 0.52 0.00 -1.26 -1.42 105.19 108.47 1rjw n GLY 73 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1rjw n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rjw s VAL 74 N -3.37 5.19 -0.00 1.61 1.01 -1.14 -4.81 120.40 118.88 1rjw s VAL 74 Ca 0.00 0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.47 1rjw s VAL 74 Cb 0.00 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1rjw s VAL 74 CO 0.00 0.15 0.02 0.35 0.00 0.00 0.00 175.10 175.62 1rjw n THR 75 N 5.12 0.01 1.21 3.92 -2.24 -1.26 -4.72 114.28 116.32 1rjw n THR 75 Ca -0.09 -0.03 0.14 0.00 -2.27 0.00 0.00 64.05 61.80 1rjw n THR 75 Cb 0.51 0.24 0.61 0.00 -2.10 0.00 0.00 70.33 69.59 1rjw n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rjw n HIS 76 N -1.62 0.00 -4.65 4.78 1.44 -1.26 -4.81 115.22 109.09 1rjw n HIS 76 Ca -0.00 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.46 1rjw n HIS 76 Cb 0.11 -0.34 -0.14 0.00 0.12 0.00 0.00 29.99 29.74 1rjw n HIS 76 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1rjw s LEU 77 N -2.77 2.14 0.19 2.39 1.43 -1.26 -5.15 118.68 115.65 1rjw s LEU 77 Ca 0.21 -0.48 0.06 0.00 -1.03 0.00 0.00 54.13 52.89 1rjw s LEU 77 Cb 0.19 -0.92 -0.05 0.00 0.03 0.00 0.00 46.19 45.45 1rjw s LEU 77 CO 0.52 0.15 -0.12 -0.54 0.23 0.00 0.00 176.35 176.59 1rjw s LYS 78 N -1.04 1.25 0.23 1.70 1.02 -1.26 -4.96 119.74 116.67 1rjw s LYS 78 Ca 0.07 -1.55 -0.32 0.00 0.02 0.00 0.00 55.97 54.19 1rjw s LYS 78 Cb -0.08 -0.93 -0.13 0.00 -0.52 0.00 0.00 37.83 36.17 1rjw s LYS 78 CO 0.01 0.13 1.60 0.28 -0.92 0.00 0.00 175.35 176.45 1rjw n VAL 79 N -0.33 0.49 0.00 3.17 0.31 -1.26 -2.04 118.33 118.67 1rjw n VAL 79 Ca -0.09 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1rjw n VAL 79 Cb 0.61 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 1rjw n VAL 79 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rjw n GLY 80 N 2.97 1.46 3.77 2.92 0.00 -0.03 -4.99 105.19 111.29 1rjw n GLY 80 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1rjw n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rjw s ASP 81 N -1.63 6.12 -0.28 1.61 1.01 -0.87 -4.67 116.67 117.96 1rjw s ASP 81 Ca 0.00 2.76 -0.14 0.00 0.71 0.00 0.00 52.55 55.88 1rjw s ASP 81 Cb 0.00 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 1rjw s ASP 81 CO 0.00 -0.99 0.35 -0.13 0.21 0.00 0.00 175.17 174.61 1rjw s ARG 82 N -2.34 3.95 0.17 8.23 0.52 -1.26 -1.57 118.95 126.65 1rjw s ARG 82 Ca 0.59 -0.06 -0.03 0.00 -0.52 0.00 0.00 55.73 55.71 1rjw s ARG 82 Cb -0.40 -3.67 -0.03 0.00 0.52 0.00 0.00 34.95 31.36 1rjw s ARG 82 CO 0.52 -0.29 0.14 0.14 0.02 0.00 0.00 175.30 175.83 1rjw s VAL 83 N 2.03 0.05 0.18 3.52 -7.23 -0.64 -0.72 120.40 117.57 1rjw s VAL 83 Ca 0.14 -1.85 0.08 0.00 -1.81 0.00 0.00 61.98 58.53 1rjw s VAL 83 Cb -0.16 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 1rjw s VAL 83 CO 0.10 -0.22 -0.16 -0.83 -0.31 0.00 0.00 175.10 173.68 1rjw s GLY 84 N -3.08 1.37 -0.37 2.32 0.00 -0.11 -0.56 107.32 106.90 1rjw s GLY 84 Ca 0.29 -1.54 0.02 0.00 0.00 0.00 0.00 44.72 43.50 1rjw s GLY 84 CO 0.06 -1.61 0.10 -0.42 0.00 0.00 0.00 173.10 171.24 1rjw s ILE 85 N -2.42 2.57 1.01 0.90 1.01 0.56 -1.87 121.20 122.95 1rjw s ILE 85 Ca 0.18 -2.31 -0.17 0.00 0.00 0.00 0.00 60.65 58.35 1rjw s ILE 85 Cb -0.04 -2.85 0.22 0.00 0.01 0.00 0.00 42.46 39.80 1rjw s ILE 85 CO 0.06 -0.63 1.31 -2.16 0.00 0.00 0.00 174.94 173.52 1rjw s PRO 86 N 0.91 0.28 0.27 2.79 0.04 -1.26 -3.93 135.00 134.10 1rjw s PRO 86 Ca 0.11 -0.41 -0.00 0.00 0.04 0.00 0.00 61.00 60.73 1rjw s PRO 86 Cb -0.20 -1.80 0.56 0.00 0.04 0.00 0.00 34.50 33.09 1rjw s PRO 86 CO -0.07 -2.66 1.75 2.35 0.04 0.00 0.00 177.00 178.41 1rjw h TRP 87 N -1.82 0.72 -0.99 0.56 2.91 -1.81 -3.17 115.95 112.36 1rjw h TRP 87 Ca -0.44 0.04 -0.66 0.00 1.13 0.00 0.00 58.89 58.95 1rjw h TRP 87 Cb 1.23 -0.19 -0.09 0.00 -0.51 0.00 0.00 29.16 29.60 1rjw h TRP 87 CO -1.42 0.13 1.96 -1.17 -1.03 0.00 0.00 178.44 176.91 1rjw s LEU 88 N -10.39 3.79 0.19 0.65 1.98 -1.26 -1.95 118.68 111.69 1rjw s LEU 88 Ca -0.12 -2.17 -0.12 0.00 -2.89 0.00 0.00 54.13 48.82 1rjw s LEU 88 Cb 0.22 -2.57 0.11 0.00 0.66 0.00 0.00 46.19 44.61 1rjw s LEU 88 CO 0.78 -1.25 1.85 0.22 -1.89 0.00 0.00 176.35 176.06 1rjw h TYR 89 N 8.22 0.77 -2.02 5.38 3.20 -1.25 -3.46 116.97 127.81 1rjw h TYR 89 Ca 0.37 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.34 1rjw h TYR 89 Cb 0.91 -0.26 -0.18 0.00 1.54 0.00 0.00 36.73 38.74 1rjw h TYR 89 CO 1.37 0.48 0.47 -1.54 -1.64 0.00 0.00 178.16 177.31 1rjw s SER 90 N -5.75 -0.40 0.25 -2.11 1.04 -1.09 -4.41 113.70 101.23 1rjw s SER 90 Ca -0.13 0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.53 1rjw s SER 90 Cb 0.13 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 66.58 1rjw s SER 90 CO 0.76 -0.53 0.09 0.00 0.98 0.00 0.00 173.24 174.53 1rjw s ALA 91 N -2.23 1.72 0.21 5.32 0.00 -1.26 -1.16 121.76 124.36 1rjw s ALA 91 Ca 0.01 -1.86 0.11 0.00 0.00 0.00 0.00 51.96 50.22 1rjw s ALA 91 Cb -0.01 0.99 0.24 0.00 0.00 0.00 0.00 23.12 24.34 1rjw s ALA 91 CO -0.03 -0.44 1.54 0.00 0.00 0.00 0.00 175.76 176.82 1rjw n GLY 93 N 0.55 0.62 0.00 0.00 0.00 -1.26 -4.86 105.19 100.25 1rjw n GLY 93 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1rjw n GLY 93 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1rjw n HIS 94 N -2.78 0.00 -1.50 1.61 8.25 -1.26 -4.74 115.22 114.81 1rjw n HIS 94 Ca -0.03 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.13 1rjw n HIS 94 Cb 0.17 0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.46 1rjw n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rjw h ASP 96 N -1.84 0.63 -0.20 0.00 3.32 -1.99 -1.87 116.42 114.48 1rjw h ASP 96 Ca -0.48 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 56.48 1rjw h ASP 96 Cb 1.30 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1rjw h ASP 96 CO 0.49 0.58 0.06 1.88 -1.72 0.00 0.00 179.24 180.53 1rjw h TYR 97 N 0.69 0.33 -0.55 4.55 0.05 -1.92 -2.36 116.97 117.76 1rjw h TYR 97 Ca 0.17 -0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.85 1rjw h TYR 97 Cb 0.15 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 1rjw h TYR 97 CO 0.01 0.40 0.08 0.00 -1.05 0.00 0.00 178.16 177.60 1rjw n LEU 99 N -4.24 0.55 -1.53 0.00 4.77 -0.72 -3.55 117.00 112.28 1rjw n LEU 99 Ca 0.04 0.56 -0.13 0.00 -0.03 0.00 0.00 56.01 56.44 1rjw n LEU 99 Cb 0.27 -0.40 0.13 0.00 -2.33 0.00 0.00 43.42 41.09 1rjw n LEU 99 CO 0.41 -0.17 0.57 -1.54 -1.33 0.00 0.00 177.39 175.34 1rjw n SER 100 N -2.02 3.83 -3.76 -1.43 3.41 -0.89 -4.97 113.62 107.78 1rjw n SER 100 Ca 0.06 -3.80 -0.23 0.00 -0.26 0.00 0.00 58.87 54.63 1rjw n SER 100 Cb 0.38 -0.57 0.03 0.00 -0.26 0.00 0.00 64.21 63.79 1rjw n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rjw n GLY 101 N -0.96 -0.32 2.81 5.00 0.00 -1.21 -4.89 105.19 105.61 1rjw n GLY 101 Ca 0.39 0.14 -0.01 0.00 0.00 0.00 0.00 46.02 46.54 1rjw n GLY 101 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rjw n GLN 102 N -4.36 1.66 -0.03 1.61 6.02 0.42 -4.92 117.38 117.77 1rjw n GLN 102 Ca -0.24 -3.31 0.23 0.00 -0.01 0.00 0.00 57.00 53.67 1rjw n GLN 102 Cb 0.65 -1.42 0.72 0.00 1.02 0.00 0.00 30.24 31.21 1rjw n GLN 102 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 1rjw h GLU 103 N 2.52 0.00 0.00 -1.09 4.11 -1.82 0.36 114.58 118.65 1rjw h GLU 103 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.27 1rjw h GLU 103 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1rjw h GLU 103 CO 0.18 0.00 0.00 0.25 0.07 0.00 0.00 179.01 179.51 1rjw n THR 104 N -4.07 1.00 0.86 -1.06 -2.24 -1.26 -2.04 114.28 105.47 1rjw n THR 104 Ca 0.12 0.41 0.10 0.00 -2.27 0.00 0.00 64.05 62.41 1rjw n THR 104 Cb 0.75 -1.35 0.06 0.00 -2.10 0.00 0.00 70.33 67.69 1rjw n THR 104 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1rjw n LEU 105 N -2.12 2.44 -4.67 3.22 4.77 0.11 -4.99 117.00 115.77 1rjw n LEU 105 Ca 0.01 -0.93 -0.50 0.00 -0.03 0.00 0.00 56.01 54.57 1rjw n LEU 105 Cb 0.15 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 1rjw n LEU 105 CO 0.14 0.43 1.32 0.00 -1.33 0.00 0.00 177.39 177.95 1rjw n GLU 107 N 5.11 0.14 -0.53 0.00 1.02 -1.26 -2.33 120.64 122.78 1rjw n GLU 107 Ca 0.21 0.40 0.08 0.00 -0.02 0.00 0.00 57.16 57.84 1rjw n GLU 107 Cb 0.25 -1.78 0.31 0.00 -0.02 0.00 0.00 31.44 30.20 1rjw n GLU 107 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1rjw n HIS 108 N -2.05 1.26 -2.04 -0.32 8.25 -1.26 -5.01 115.22 114.05 1rjw n HIS 108 Ca 0.02 -0.66 -0.34 0.00 -0.26 0.00 0.00 57.72 56.48 1rjw n HIS 108 Cb 0.19 -0.25 0.02 0.00 1.12 0.00 0.00 29.99 31.08 1rjw n HIS 108 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1rjw s GLN 109 N -1.99 3.10 0.00 -0.41 -2.07 -0.99 -4.56 119.66 112.74 1rjw s GLN 109 Ca 0.45 1.55 0.05 0.00 -1.82 0.00 0.00 55.36 55.59 1rjw s GLN 109 Cb 0.31 -1.98 -0.03 0.00 -1.09 0.00 0.00 33.01 30.22 1rjw s GLN 109 CO 0.19 -1.04 -0.14 0.15 -1.32 0.00 0.00 175.29 173.13 1rjw s LYS 110 N -3.60 2.33 -0.15 9.60 -0.14 -0.31 -4.98 119.74 122.49 1rjw s LYS 110 Ca 0.71 -0.82 0.01 0.00 -1.36 0.00 0.00 55.97 54.50 1rjw s LYS 110 Cb -0.23 -2.33 -0.00 0.00 -1.68 0.00 0.00 37.83 33.59 1rjw s LYS 110 CO 0.33 0.58 -0.16 -0.80 -0.76 0.00 0.00 175.35 174.54 1rjw s ASN 111 N -1.21 3.60 0.22 2.83 -0.87 -1.26 -1.55 114.94 116.70 1rjw s ASN 111 Ca 0.14 -0.48 -0.32 0.00 -1.57 0.00 0.00 52.86 50.63 1rjw s ASN 111 Cb -0.11 -1.55 -0.12 0.00 -0.02 0.00 0.00 41.25 39.45 1rjw s ASN 111 CO 0.04 0.09 1.64 0.00 -2.57 0.00 0.00 177.10 176.30 1rjw n ALA 112 N 4.04 2.33 -1.19 0.60 0.00 -0.82 -1.39 120.51 124.08 1rjw n ALA 112 Ca -0.19 0.41 -0.07 0.00 0.00 0.00 0.00 53.44 53.59 1rjw n ALA 112 Cb 0.52 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 17.48 1rjw n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rjw n GLY 113 N 3.29 0.87 2.02 0.00 0.00 0.05 -4.26 105.19 107.16 1rjw n GLY 113 Ca 0.14 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1rjw n GLY 113 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1rjw n TYR 114 N -2.72 -2.78 0.76 1.61 4.19 -0.84 -4.26 117.16 113.11 1rjw n TYR 114 Ca -0.07 0.57 0.08 0.00 3.31 0.00 0.00 57.90 61.79 1rjw n TYR 114 Cb 0.26 0.93 -0.10 0.00 0.49 0.00 0.00 39.34 40.92 1rjw n TYR 114 CO 0.00 0.00 0.00 -1.13 0.91 0.00 0.00 176.86 176.64 1rjw n SER 115 N -3.47 0.82 -3.99 2.98 3.41 -0.49 -2.48 113.62 110.41 1rjw n SER 115 Ca 0.00 -0.85 -0.08 0.00 -0.26 0.00 0.00 58.87 57.68 1rjw n SER 115 Cb 0.00 1.06 -0.10 0.00 -0.26 0.00 0.00 64.21 64.91 1rjw n SER 115 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1rjw s VAL 116 N -2.68 0.16 0.59 -3.33 -7.23 -1.16 -4.83 120.40 101.93 1rjw s VAL 116 Ca 0.06 -1.33 -0.20 0.00 -1.81 0.00 0.00 61.98 58.69 1rjw s VAL 116 Cb 0.13 -1.05 -0.03 0.00 0.56 0.00 0.00 36.38 35.99 1rjw s VAL 116 CO 0.71 -0.74 1.31 -1.81 -0.31 0.00 0.00 175.10 174.27 1rjw s ASP 117 N -2.36 5.01 0.00 4.85 1.01 -1.26 -0.77 116.67 123.14 1rjw s ASP 117 Ca -0.02 2.66 0.00 0.00 0.71 0.00 0.00 52.55 55.90 1rjw s ASP 117 Cb 0.01 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1rjw s ASP 117 CO -0.06 -1.74 0.00 0.61 0.21 0.00 0.00 175.17 174.19 1rjw n GLY 118 N 0.77 4.10 0.39 0.21 0.00 0.26 -4.00 105.19 106.92 1rjw n GLY 118 Ca 0.13 -1.78 0.13 0.00 0.00 0.00 0.00 46.02 44.49 1rjw n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rjw n GLY 119 N 5.00 -0.14 1.97 -0.02 0.00 -0.77 -4.46 105.19 106.77 1rjw n GLY 119 Ca 0.00 -0.37 -0.07 0.00 0.00 0.00 0.00 46.02 45.57 1rjw n GLY 119 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rjw n TYR 120 N -0.03 0.00 -3.82 1.61 4.02 -0.71 -4.73 117.16 113.49 1rjw n TYR 120 Ca 0.18 -1.12 -0.06 0.00 -0.01 0.00 0.00 57.90 56.90 1rjw n TYR 120 Cb 0.29 -1.15 -0.02 0.00 -0.02 0.00 0.00 39.34 38.44 1rjw n TYR 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1rjw s ALA 121 N 1.14 -1.34 0.16 -0.72 0.00 -1.26 -1.37 121.76 118.35 1rjw s ALA 121 Ca 0.41 -0.17 0.27 0.00 0.00 0.00 0.00 51.96 52.47 1rjw s ALA 121 Cb 0.20 0.79 1.11 0.00 0.00 0.00 0.00 23.12 25.22 1rjw s ALA 121 CO 0.00 -1.03 1.90 0.93 0.00 0.00 0.00 175.76 177.56 1rjw h GLU 122 N 2.00 0.00 -3.92 0.00 5.08 -1.75 -3.40 114.58 112.59 1rjw h GLU 122 Ca -0.21 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.99 1rjw h GLU 122 Cb 1.25 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.29 1rjw h GLU 122 CO 0.24 0.15 -0.66 0.71 -1.00 0.00 0.00 179.01 178.45 1rjw s TYR 123 N -3.71 0.24 -0.13 4.33 2.02 -1.26 -1.24 117.35 117.59 1rjw s TYR 123 Ca 0.00 -0.51 -0.06 0.00 -0.37 0.00 0.00 57.07 56.13 1rjw s TYR 123 Cb 0.10 -0.18 0.06 0.00 -0.40 0.00 0.00 41.96 41.54 1rjw s TYR 123 CO 0.60 -0.23 0.30 0.00 -1.57 0.00 0.00 175.55 174.66 1rjw s ARG 125 N 1.69 4.60 0.10 0.00 3.52 -1.26 -1.36 118.95 126.23 1rjw s ARG 125 Ca -0.06 1.40 0.03 0.00 -0.13 0.00 0.00 55.73 56.97 1rjw s ARG 125 Cb -0.10 -3.43 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 1rjw s ARG 125 CO -0.10 0.06 -0.08 0.00 -0.81 0.00 0.00 175.30 174.36 1rjw s ALA 126 N 0.62 1.04 -0.34 6.12 0.00 -0.56 -4.98 121.76 123.65 1rjw s ALA 126 Ca 0.49 -1.23 -0.29 0.00 0.00 0.00 0.00 51.96 50.93 1rjw s ALA 126 Cb -0.22 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.00 1rjw s ALA 126 CO 0.28 -0.12 1.10 0.00 0.00 0.00 0.00 175.76 177.03 1rjw s ALA 127 N -2.87 3.43 0.27 0.00 0.00 -1.26 -1.34 121.76 119.99 1rjw s ALA 127 Ca 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 51.96 51.91 1rjw s ALA 127 Cb 0.00 -3.72 0.58 0.00 0.00 0.00 0.00 23.12 19.98 1rjw s ALA 127 CO -0.02 -1.63 1.67 0.00 0.00 0.00 0.00 175.76 175.79 1rjw h ALA 128 N 8.35 1.12 0.00 0.00 0.00 -1.48 -1.04 119.26 126.20 1rjw h ALA 128 Ca -0.21 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rjw h ALA 128 Cb 1.06 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1rjw h ALA 128 CO 1.05 -0.38 0.00 -0.44 0.00 0.00 0.00 179.25 179.47 1rjw h ASP 129 N 0.26 0.00 -0.13 0.00 3.32 -1.92 -3.22 116.42 114.73 1rjw h ASP 129 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1rjw h ASP 129 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 1rjw h ASP 129 CO -0.58 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 175.72 1rjw n TYR 130 N -2.89 0.16 -2.17 4.55 4.02 -0.41 -4.97 117.16 115.46 1rjw n TYR 130 Ca -0.00 -0.16 -0.30 0.00 -0.01 0.00 0.00 57.90 57.42 1rjw n TYR 130 Cb 0.22 -0.01 -0.00 0.00 -0.02 0.00 0.00 39.34 39.53 1rjw n TYR 130 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1rjw s VAL 131 N -1.00 4.74 -0.06 -0.72 -7.23 -1.15 -4.64 120.40 110.34 1rjw s VAL 131 Ca 0.18 0.76 0.03 0.00 -1.81 0.00 0.00 61.98 61.14 1rjw s VAL 131 Cb 0.11 -3.84 0.00 0.00 0.56 0.00 0.00 36.38 33.21 1rjw s VAL 131 CO 0.16 -0.99 -0.17 -0.69 -0.31 0.00 0.00 175.10 173.10 1rjw s VAL 132 N -2.96 1.46 0.43 1.32 1.01 -0.78 -4.94 120.40 115.93 1rjw s VAL 132 Ca 0.54 -0.69 -0.25 0.00 0.00 0.00 0.00 61.98 61.57 1rjw s VAL 132 Cb -0.11 -1.28 -0.08 0.00 0.00 0.00 0.00 36.38 34.92 1rjw s VAL 132 CO 0.48 0.42 1.27 -0.54 0.00 0.00 0.00 175.10 176.73 1rjw s LYS 133 N 0.34 3.85 -0.20 2.72 1.02 -1.26 -0.93 119.74 125.28 1rjw s LYS 133 Ca -0.11 2.07 -0.10 0.00 0.02 0.00 0.00 55.97 57.84 1rjw s LYS 133 Cb -0.15 -2.63 -0.05 0.00 -0.52 0.00 0.00 37.83 34.48 1rjw s LYS 133 CO 0.04 -0.56 0.14 0.42 -0.92 0.00 0.00 175.35 174.47 1rjw s ILE 134 N -1.33 5.41 0.38 2.17 1.01 0.10 -4.89 121.20 124.05 1rjw s ILE 134 Ca 0.60 0.21 -0.25 0.00 0.00 0.00 0.00 60.65 61.20 1rjw s ILE 134 Cb -0.36 -3.48 -0.12 0.00 0.01 0.00 0.00 42.46 38.52 1rjw s ILE 134 CO 0.45 0.44 0.97 -2.65 0.00 0.00 0.00 174.94 174.15 1rjw n PRO 135 N 3.50 1.29 -0.19 2.79 -0.02 -1.26 -4.83 135.00 136.28 1rjw n PRO 135 Ca -0.16 0.46 0.12 0.00 -2.02 0.00 0.00 63.50 61.90 1rjw n PRO 135 Cb 0.52 -1.93 0.44 0.00 -0.02 0.00 0.00 33.50 32.51 1rjw n PRO 135 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1rjw h ASP 136 N 1.63 0.51 -0.77 2.55 3.32 -1.98 -2.43 116.42 119.25 1rjw h ASP 136 Ca -0.43 0.02 -0.34 0.00 0.02 0.00 0.00 57.03 56.31 1rjw h ASP 136 Cb 1.34 -0.08 -0.20 0.00 0.22 0.00 0.00 39.33 40.61 1rjw h ASP 136 CO 0.58 0.28 0.43 -0.46 -1.72 0.00 0.00 179.24 178.34 1rjw n ASN 137 N -4.50 4.00 -4.15 6.45 6.94 -1.26 -4.85 115.26 117.89 1rjw n ASN 137 Ca 0.14 -3.24 -0.32 0.00 -0.02 0.00 0.00 54.58 51.15 1rjw n ASN 137 Cb 0.44 -0.76 -0.17 0.00 -2.36 0.00 0.00 39.78 36.93 1rjw n ASN 137 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1rjw s LEU 138 N -2.72 2.02 0.64 -4.53 2.96 -0.92 -4.95 118.68 111.19 1rjw s LEU 138 Ca 0.48 -0.56 -0.13 0.00 -0.22 0.00 0.00 54.13 53.70 1rjw s LEU 138 Cb 0.40 -1.36 -0.02 0.00 0.50 0.00 0.00 46.19 45.71 1rjw s LEU 138 CO 0.10 0.07 1.05 -0.94 -1.32 0.00 0.00 176.35 175.32 1rjw s SER 139 N 0.82 5.67 0.25 3.68 1.04 -1.26 -4.84 113.70 119.06 1rjw s SER 139 Ca -0.08 1.67 -0.04 0.00 0.48 0.00 0.00 55.95 57.99 1rjw s SER 139 Cb -0.16 -2.51 0.38 0.00 0.10 0.00 0.00 66.02 63.83 1rjw s SER 139 CO -0.01 -1.25 1.86 -0.26 0.98 0.00 0.00 173.24 174.56 1rjw h PHE 140 N -0.16 1.06 -0.37 5.02 0.04 -1.97 -0.45 116.94 120.11 1rjw h PHE 140 Ca -0.45 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.35 1rjw h PHE 140 Cb 1.21 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 39.00 1rjw h PHE 140 CO 0.61 0.52 0.24 0.93 -0.60 0.00 0.00 178.31 180.01 1rjw h GLU 141 N 1.02 0.50 -0.48 1.51 3.07 -1.95 -1.07 114.58 117.18 1rjw h GLU 141 Ca 0.40 -0.04 -0.12 0.00 -0.50 0.00 0.00 59.36 59.11 1rjw h GLU 141 Cb 0.21 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 1rjw h GLU 141 CO -0.19 0.35 -0.17 0.93 -1.40 0.00 0.00 179.01 178.53 1rjw h GLU 142 N 0.50 0.96 -0.39 2.33 5.08 -1.81 -3.28 114.58 117.98 1rjw h GLU 142 Ca 0.14 -0.39 -0.08 0.00 -1.00 0.00 0.00 59.36 58.02 1rjw h GLU 142 Cb -0.04 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1rjw h GLU 142 CO -0.03 1.06 -0.07 0.00 -1.00 0.00 0.00 179.01 178.98 1rjw h ALA 143 N 0.88 0.53 -0.84 3.43 0.00 -0.91 -3.36 119.26 118.98 1rjw h ALA 143 Ca 0.12 -0.30 0.13 0.00 0.00 0.00 0.00 54.91 54.86 1rjw h ALA 143 Cb 0.74 -0.14 -0.14 0.00 0.00 0.00 0.00 17.79 18.25 1rjw h ALA 143 CO 0.06 0.37 -0.38 0.00 0.00 0.00 0.00 179.25 179.30 1rjw h ALA 144 N 0.85 0.04 0.00 0.00 0.00 -1.25 -0.38 119.26 118.52 1rjw h ALA 144 Ca 0.10 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1rjw h ALA 144 Cb 0.57 0.95 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1rjw h ALA 144 CO 0.03 -0.66 0.00 -0.35 0.00 0.00 0.00 179.25 178.27 1rjw n PRO 145 N -5.45 0.14 0.08 0.00 -0.04 -1.26 -2.17 135.00 126.30 1rjw n PRO 145 Ca 0.07 0.47 -0.06 0.00 -0.04 0.00 0.00 63.50 63.95 1rjw n PRO 145 Cb 0.38 -1.83 -0.03 0.00 -0.04 0.00 0.00 33.50 31.98 1rjw n PRO 145 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1rjw h ILE 146 N 0.00 1.62 0.00 0.52 1.08 -1.25 -1.97 117.51 117.51 1rjw h ILE 146 Ca 0.00 -2.99 0.00 0.00 -0.39 0.00 0.00 64.86 61.48 1rjw h ILE 146 Cb 0.22 2.62 0.00 0.00 -3.07 0.00 0.00 36.82 36.59 1rjw h ILE 146 CO 0.00 0.85 0.04 -0.26 -0.69 0.00 0.00 178.15 178.10 1rjw h PHE 147 N 0.01 0.00 0.00 1.37 -1.00 -1.43 -0.55 116.94 115.34 1rjw h PHE 147 Ca -0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.76 1rjw h PHE 147 Cb 1.56 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.12 1rjw h PHE 147 CO 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 178.31 176.70 1rjw h ALA 149 N 0.00 -0.33 0.47 0.00 0.00 -1.67 -0.72 119.26 117.00 1rjw h ALA 149 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1rjw h ALA 149 Cb 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1rjw h ALA 149 CO 0.00 -0.68 -0.45 0.78 0.00 0.00 0.00 179.25 178.90 1rjw h GLY 150 N -0.35 -1.10 1.32 0.00 0.00 -1.31 -2.04 103.07 99.60 1rjw h GLY 150 Ca -0.03 0.52 -0.00 0.00 0.00 0.00 0.00 47.33 47.81 1rjw h GLY 150 CO 0.06 -0.35 0.41 -0.24 0.00 0.00 0.00 176.54 176.41 1rjw h VAL 151 N -0.93 1.19 -0.39 4.60 3.04 -1.14 -1.32 116.25 121.30 1rjw h VAL 151 Ca -0.05 -0.41 0.01 0.00 -1.01 0.00 0.00 66.70 65.24 1rjw h VAL 151 Cb 0.81 0.24 -0.02 0.00 -2.01 0.00 0.00 31.29 30.31 1rjw h VAL 151 CO -0.05 0.20 0.26 0.74 -1.01 0.00 0.00 177.57 177.70 1rjw h THR 152 N 0.92 1.10 -0.19 3.17 2.02 -0.90 0.15 112.91 119.18 1rjw h THR 152 Ca 0.24 -0.18 -0.19 0.00 0.77 0.00 0.00 66.41 67.05 1rjw h THR 152 Cb -0.04 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1rjw h THR 152 CO -0.05 0.10 -0.64 0.71 0.37 0.00 0.00 175.52 176.01 1rjw h THR 153 N 0.53 1.30 -0.24 3.16 1.35 -1.03 -1.49 112.91 116.48 1rjw h THR 153 Ca 0.15 -1.88 -0.01 0.00 -0.55 0.00 0.00 66.41 64.12 1rjw h THR 153 Cb -0.06 1.83 -0.01 0.00 -1.73 0.00 0.00 68.15 68.19 1rjw h THR 153 CO -0.04 0.59 0.13 0.22 -0.25 0.00 0.00 175.52 176.17 1rjw h TYR 154 N 0.51 0.34 -0.58 4.73 3.20 -1.09 -1.32 116.97 122.77 1rjw h TYR 154 Ca -0.01 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 1rjw h TYR 154 Cb 1.23 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.37 1rjw h TYR 154 CO 0.06 0.32 0.14 -0.22 -1.64 0.00 0.00 178.16 176.82 1rjw h LYS 155 N 0.27 0.92 -0.86 1.82 1.63 -0.98 -2.43 116.57 116.94 1rjw h LYS 155 Ca 0.08 -0.22 0.03 0.00 -0.85 0.00 0.00 60.65 59.69 1rjw h LYS 155 Cb 0.09 -0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 31.55 1rjw h LYS 155 CO -0.01 0.85 0.57 0.00 -3.45 0.00 0.00 179.45 177.41 1rjw h ALA 156 N 1.03 1.45 -0.41 5.00 0.00 -1.02 -0.10 119.26 125.21 1rjw h ALA 156 Ca 0.18 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1rjw h ALA 156 Cb 0.35 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1rjw h ALA 156 CO 0.00 0.48 -0.13 -0.07 0.00 0.00 0.00 179.25 179.53 1rjw h LEU 157 N 1.10 0.74 -0.59 0.00 3.38 -0.96 -2.18 115.31 116.80 1rjw h LEU 157 Ca 0.34 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 1rjw h LEU 157 Cb -0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1rjw h LEU 157 CO -0.10 0.89 -0.15 0.11 0.09 0.00 0.00 178.44 179.29 1rjw h LYS 158 N 0.67 0.97 0.00 1.13 1.57 -0.88 -2.80 116.57 117.23 1rjw h LYS 158 Ca 0.11 -0.37 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 1rjw h LYS 158 Cb 0.61 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 1rjw h LYS 158 CO 0.04 1.04 -0.10 0.28 -0.57 0.00 0.00 179.45 180.14 1rjw h VAL 159 N 0.85 1.00 0.00 0.50 2.07 -0.63 -1.80 116.25 118.25 1rjw h VAL 159 Ca 0.13 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 1rjw h VAL 159 Cb 0.70 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1rjw h VAL 159 CO 0.05 0.10 -0.18 0.71 0.02 0.00 0.00 177.57 178.27 1rjw h THR 160 N 0.00 0.98 0.00 2.57 1.35 -1.12 -3.46 112.91 113.23 1rjw h THR 160 Ca -0.00 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1rjw h THR 160 Cb 0.18 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1rjw h THR 160 CO 0.01 0.17 0.00 0.61 -0.25 0.00 0.00 175.52 176.06 1rjw n GLY 161 N -0.90 0.73 3.71 5.82 0.00 -0.68 -4.76 105.19 109.12 1rjw n GLY 161 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1rjw n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rjw s ALA 162 N -2.99 3.71 0.33 4.61 0.00 -1.26 -5.02 121.76 121.14 1rjw s ALA 162 Ca 0.00 1.26 0.05 0.00 0.00 0.00 0.00 51.96 53.27 1rjw s ALA 162 Cb 0.00 -3.60 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 1rjw s ALA 162 CO 0.00 -0.76 0.48 -1.59 0.00 0.00 0.00 175.76 173.89 1rjw s LYS 163 N 1.29 3.21 0.11 0.00 -2.85 -1.26 -4.99 119.74 115.25 1rjw s LYS 163 Ca 0.68 -0.83 -0.36 0.00 -1.00 0.00 0.00 55.97 54.47 1rjw s LYS 163 Cb -0.41 -2.79 -0.16 0.00 -2.06 0.00 0.00 37.83 32.41 1rjw s LYS 163 CO 0.31 0.10 1.30 -2.30 0.10 0.00 0.00 175.35 174.86 1rjw n PRO 164 N -1.67 1.18 0.00 1.78 -0.02 -1.26 -1.35 135.00 133.67 1rjw n PRO 164 Ca -0.02 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1rjw n PRO 164 Cb 0.58 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 1rjw n PRO 164 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rjw n GLY 165 N 2.40 3.11 3.93 -1.23 0.00 0.21 -4.96 105.19 108.65 1rjw n GLY 165 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 1rjw n GLY 165 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rjw s GLU 166 N -0.90 2.90 -0.12 1.61 2.02 -0.45 -4.73 118.70 119.03 1rjw s GLU 166 Ca 0.00 -0.13 -0.06 0.00 0.02 0.00 0.00 54.97 54.80 1rjw s GLU 166 Cb 0.00 -2.32 -0.04 0.00 0.10 0.00 0.00 34.13 31.87 1rjw s GLU 166 CO 0.00 -0.65 0.11 -1.58 0.02 0.00 0.00 175.26 173.16 1rjw s TRP 167 N -2.92 3.51 0.00 1.61 0.52 -1.26 -1.50 118.94 118.91 1rjw s TRP 167 Ca 0.53 0.46 0.03 0.00 0.02 0.00 0.00 56.10 57.13 1rjw s TRP 167 Cb -0.10 -1.92 -0.01 0.00 -1.15 0.00 0.00 33.47 30.28 1rjw s TRP 167 CO 0.44 0.67 -0.08 0.54 0.02 0.00 0.00 176.95 178.53 1rjw s VAL 168 N -0.93 0.66 -0.19 4.03 0.11 -0.52 -0.19 120.40 123.36 1rjw s VAL 168 Ca 0.14 -0.50 -0.07 0.00 -2.93 0.00 0.00 61.98 58.62 1rjw s VAL 168 Cb -0.12 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 1rjw s VAL 168 CO 0.03 0.09 0.06 0.00 -3.33 0.00 0.00 175.10 171.95 1rjw s ALA 169 N -0.40 3.37 -0.36 1.54 0.00 0.07 -1.71 121.76 124.26 1rjw s ALA 169 Ca 0.01 -0.80 -0.09 0.00 0.00 0.00 0.00 51.96 51.09 1rjw s ALA 169 Cb -0.04 -1.94 0.04 0.00 0.00 0.00 0.00 23.12 21.17 1rjw s ALA 169 CO -0.00 0.09 0.17 0.42 0.00 0.00 0.00 175.76 176.44 1rjw s ILE 170 N 0.53 4.21 -0.38 0.00 -1.09 -0.22 -0.57 121.20 123.69 1rjw s ILE 170 Ca 0.03 -1.03 -0.21 0.00 -2.23 0.00 0.00 60.65 57.21 1rjw s ILE 170 Cb -0.13 -3.39 0.01 0.00 -1.58 0.00 0.00 42.46 37.37 1rjw s ILE 170 CO 0.01 -0.24 0.68 -0.31 -1.23 0.00 0.00 174.94 173.85 1rjw s TYR 171 N 1.48 3.11 0.00 3.97 1.51 -0.57 -1.19 117.35 125.65 1rjw s TYR 171 Ca 0.01 0.29 0.00 0.00 -1.01 0.00 0.00 57.07 56.36 1rjw s TYR 171 Cb -0.20 -3.29 0.00 0.00 -0.11 0.00 0.00 41.96 38.36 1rjw s TYR 171 CO 0.05 -0.73 0.00 0.41 -1.11 0.00 0.00 175.55 174.16 1rjw n GLY 172 N 4.75 -0.33 2.88 0.71 0.00 0.52 -1.82 105.19 111.89 1rjw n GLY 172 Ca -0.00 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 1rjw n GLY 172 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rjw n ILE 173 N 1.44 5.01 -0.29 -0.61 2.08 -1.26 -3.63 119.36 122.10 1rjw n ILE 173 Ca 0.00 -5.85 0.00 0.00 0.56 0.00 0.00 62.75 57.46 1rjw n ILE 173 Cb 0.00 -1.99 0.00 0.00 -0.75 0.00 0.00 39.64 36.90 1rjw n ILE 173 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1rjw n GLY 174 N 1.03 5.10 0.39 7.39 0.00 -1.26 -4.43 105.19 113.42 1rjw n GLY 174 Ca 0.29 -1.63 -0.06 0.00 0.00 0.00 0.00 46.02 44.61 1rjw n GLY 174 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rjw h GLY 175 N 0.00 -0.35 0.52 -0.02 0.00 -1.92 -1.30 103.07 100.00 1rjw h GLY 175 Ca 0.00 0.59 -0.22 0.00 0.00 0.00 0.00 47.33 47.70 1rjw h GLY 175 CO 0.00 -0.14 -1.06 1.41 0.00 0.00 0.00 176.54 176.75 1rjw h LEU 176 N -0.12 0.36 -0.59 3.11 4.07 -1.93 -3.39 115.31 116.82 1rjw h LEU 176 Ca 0.23 -0.88 0.12 0.00 0.08 0.00 0.00 57.88 57.43 1rjw h LEU 176 Cb 0.55 -0.12 -0.11 0.00 1.08 0.00 0.00 40.66 42.06 1rjw h LEU 176 CO -0.82 1.47 -0.13 1.23 -1.08 0.00 0.00 178.44 179.12 1rjw h GLY 177 N -0.26 0.46 2.00 0.83 0.00 -1.55 -0.22 103.07 104.33 1rjw h GLY 177 Ca -0.22 0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1rjw h GLY 177 CO 0.07 -0.22 -0.06 1.12 0.00 0.00 0.00 176.54 177.45 1rjw h HIS 178 N 0.01 0.00 0.13 5.60 2.07 -1.45 -1.35 115.15 120.16 1rjw h HIS 178 Ca 0.29 0.00 -0.32 0.00 -2.85 0.00 0.00 60.37 57.49 1rjw h HIS 178 Cb 0.44 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.42 1rjw h HIS 178 CO -0.47 0.06 -1.60 0.28 -3.07 0.00 0.00 177.93 173.13 1rjw h VAL 179 N 0.00 1.08 -0.90 6.12 2.07 -1.45 -3.31 116.25 119.86 1rjw h VAL 179 Ca -0.00 -2.72 0.02 0.00 0.82 0.00 0.00 66.70 64.82 1rjw h VAL 179 Cb 0.27 2.74 -0.05 0.00 -1.52 0.00 0.00 31.29 32.73 1rjw h VAL 179 CO 0.01 0.81 0.59 0.00 0.02 0.00 0.00 177.57 179.00 1rjw h ALA 180 N 0.43 1.40 -0.66 1.67 0.00 -0.07 -1.70 119.26 120.32 1rjw h ALA 180 Ca -0.27 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.60 1rjw h ALA 180 Cb 2.03 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 19.45 1rjw h ALA 180 CO 0.16 0.54 0.43 0.28 0.00 0.00 0.00 179.25 180.66 1rjw h VAL 181 N 1.17 1.15 -0.31 0.00 2.07 -1.39 -1.35 116.25 117.59 1rjw h VAL 181 Ca 0.34 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.48 1rjw h VAL 181 Cb -0.06 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1rjw h VAL 181 CO -0.09 0.16 -0.12 1.56 0.02 0.00 0.00 177.57 179.10 1rjw h GLN 182 N 0.88 0.63 -0.30 1.57 4.20 -1.47 -2.28 115.11 118.34 1rjw h GLN 182 Ca 0.25 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1rjw h GLN 182 Cb -0.08 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1rjw h GLN 182 CO -0.06 0.84 0.14 1.88 -0.67 0.00 0.00 178.83 180.96 1rjw h TYR 183 N 0.39 0.42 -0.67 2.96 0.05 -1.22 -1.12 116.97 117.79 1rjw h TYR 183 Ca 0.07 -0.02 0.09 0.00 0.05 0.00 0.00 58.73 58.93 1rjw h TYR 183 Cb 0.63 -0.13 -0.07 0.00 1.01 0.00 0.00 36.73 38.17 1rjw h TYR 183 CO 0.06 0.38 0.31 0.00 -1.05 0.00 0.00 178.16 177.85 1rjw h ALA 184 N 1.00 0.90 -0.61 3.88 0.00 -1.20 0.10 119.26 123.34 1rjw h ALA 184 Ca 0.10 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1rjw h ALA 184 Cb 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1rjw h ALA 184 CO -0.01 -0.10 0.03 0.87 0.00 0.00 0.00 179.25 180.03 1rjw h LYS 185 N 0.53 1.06 0.00 0.00 1.79 -1.16 -1.19 116.57 117.59 1rjw h LYS 185 Ca 0.33 -0.32 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1rjw h LYS 185 Cb 0.37 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1rjw h LYS 185 CO -0.28 1.02 -0.06 0.00 -1.08 0.00 0.00 179.45 179.04 1rjw h ALA 186 N 1.04 1.09 -0.44 3.86 0.00 0.14 -2.00 119.26 122.95 1rjw h ALA 186 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1rjw h ALA 186 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1rjw h ALA 186 CO 0.03 0.08 0.00 -1.33 0.00 0.00 0.00 179.25 178.03 1rjw n MET 187 N -3.30 3.06 -1.22 0.00 2.81 0.21 -4.91 117.12 113.77 1rjw n MET 187 Ca -0.01 -2.03 -0.07 0.00 -1.81 0.00 0.00 57.70 53.78 1rjw n MET 187 Cb 0.25 -1.76 -0.03 0.00 -0.71 0.00 0.00 33.22 30.96 1rjw n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rjw n GLY 188 N 0.80 0.95 3.95 3.03 0.00 -0.75 -4.15 105.19 109.03 1rjw n GLY 188 Ca 0.18 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 1rjw n GLY 188 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rjw s LEU 189 N -1.69 4.30 -0.18 0.99 1.43 -0.51 0.65 118.68 123.66 1rjw s LEU 189 Ca 0.00 0.18 -0.09 0.00 -1.03 0.00 0.00 54.13 53.19 1rjw s LEU 189 Cb 0.00 -2.95 -0.05 0.00 0.03 0.00 0.00 46.19 43.22 1rjw s LEU 189 CO 0.00 -0.03 0.12 0.20 0.23 0.00 0.00 176.35 176.87 1rjw s ASN 190 N -3.56 6.12 -0.07 2.29 0.01 -0.56 -4.25 114.94 114.93 1rjw s ASN 190 Ca 0.35 0.25 0.02 0.00 -0.71 0.00 0.00 52.86 52.77 1rjw s ASN 190 Cb -0.10 -2.05 -0.03 0.00 0.41 0.00 0.00 41.25 39.48 1rjw s ASN 190 CO 0.29 0.23 -0.10 -0.69 -1.51 0.00 0.00 177.10 175.32 1rjw s VAL 191 N 0.05 3.41 -0.25 1.60 1.01 -1.26 -1.44 120.40 123.52 1rjw s VAL 191 Ca 0.09 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 1rjw s VAL 191 Cb -0.11 -2.38 0.03 0.00 0.00 0.00 0.00 36.38 33.91 1rjw s VAL 191 CO -0.00 0.59 -0.05 -0.69 0.00 0.00 0.00 175.10 174.95 1rjw s VAL 192 N -0.69 2.97 -0.10 2.92 1.01 -0.70 -1.42 120.40 124.39 1rjw s VAL 192 Ca 0.10 -1.01 -0.15 0.00 0.00 0.00 0.00 61.98 60.92 1rjw s VAL 192 Cb -0.11 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1rjw s VAL 192 CO 0.01 0.18 0.39 0.00 0.00 0.00 0.00 175.10 175.68 1rjw s ALA 193 N 1.34 3.59 -0.09 5.51 0.00 0.39 -1.06 121.76 131.44 1rjw s ALA 193 Ca 0.00 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 51.69 1rjw s ALA 193 Cb -0.17 -2.47 0.01 0.00 0.00 0.00 0.00 23.12 20.50 1rjw s ALA 193 CO -0.04 0.19 -0.16 0.08 0.00 0.00 0.00 175.76 175.83 1rjw s VAL 194 N 0.01 1.51 -0.19 0.00 1.01 -0.33 -1.90 120.40 120.51 1rjw s VAL 194 Ca 0.22 -0.68 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 1rjw s VAL 194 Cb -0.15 -1.35 0.13 0.00 0.00 0.00 0.00 36.38 35.01 1rjw s VAL 194 CO 0.09 0.44 1.04 -0.62 0.00 0.00 0.00 175.10 176.05 1rjw s ASP 195 N 0.69 -0.35 0.08 3.32 -1.08 -1.17 -0.35 116.67 117.80 1rjw s ASP 195 Ca -0.13 0.44 0.26 0.00 -0.52 0.00 0.00 52.55 52.60 1rjw s ASP 195 Cb -0.16 0.36 1.02 0.00 -1.46 0.00 0.00 42.92 42.68 1rjw s ASP 195 CO 0.03 -0.29 1.81 2.30 0.52 0.00 0.00 175.17 179.55 1rjw n ILE 196 N 0.94 0.36 -3.72 4.11 -5.35 -1.26 -4.21 119.36 110.23 1rjw n ILE 196 Ca -0.10 -0.03 -0.38 0.00 -0.27 0.00 0.00 62.75 61.97 1rjw n ILE 196 Cb 0.58 -0.64 -0.12 0.00 -1.74 0.00 0.00 39.64 37.72 1rjw n ILE 196 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1rjw s GLY 197 N -3.20 1.81 0.58 3.28 0.00 -1.26 -4.87 107.32 103.66 1rjw s GLY 197 Ca 0.11 -1.44 0.28 0.00 0.00 0.00 0.00 44.72 43.68 1rjw s GLY 197 CO 0.50 0.67 2.06 -0.55 0.00 0.00 0.00 173.10 175.78 1rjw h ASP 198 N 8.28 0.00 -0.02 1.64 3.32 -2.00 -0.85 116.42 126.79 1rjw h ASP 198 Ca -0.32 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.76 1rjw h ASP 198 Cb 1.13 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.65 1rjw h ASP 198 CO 0.61 0.00 -0.13 -0.08 -1.72 0.00 0.00 179.24 177.92 1rjw h GLU 199 N 0.00 -0.20 -0.90 3.56 4.81 -1.97 -1.21 114.58 118.66 1rjw h GLU 199 Ca 0.12 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1rjw h GLU 199 Cb 0.62 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.01 1rjw h GLU 199 CO -0.00 -0.14 0.56 0.87 -0.73 0.00 0.00 179.01 179.57 1rjw h LYS 200 N -0.21 1.22 -0.31 1.92 1.79 -1.51 -2.15 116.57 117.32 1rjw h LYS 200 Ca 0.05 -0.10 -0.08 0.00 -2.18 0.00 0.00 60.65 58.34 1rjw h LYS 200 Cb 0.28 -0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 1rjw h LYS 200 CO -0.15 0.84 -0.15 -0.07 -1.08 0.00 0.00 179.45 178.85 1rjw h LEU 201 N 1.24 0.52 -0.74 2.94 3.38 -1.16 0.93 115.31 122.42 1rjw h LEU 201 Ca 0.33 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 1rjw h LEU 201 Cb -0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1rjw h LEU 201 CO -0.06 0.70 -0.52 -0.33 0.09 0.00 0.00 178.44 178.31 1rjw h GLU 202 N 0.49 0.29 -0.38 1.13 5.08 -0.87 -1.82 114.58 118.50 1rjw h GLU 202 Ca 0.09 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1rjw h GLU 202 Cb 0.54 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1rjw h GLU 202 CO 0.03 0.74 -0.05 1.25 -1.00 0.00 0.00 179.01 179.99 1rjw h LEU 203 N 0.23 0.70 -1.10 1.33 6.46 -0.73 -2.48 115.31 119.73 1rjw h LEU 203 Ca 0.01 -0.34 0.00 0.00 -0.12 0.00 0.00 57.88 57.43 1rjw h LEU 203 Cb 0.99 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.69 1rjw h LEU 203 CO 0.08 0.87 0.54 0.00 -0.62 0.00 0.00 178.44 179.32 1rjw h ALA 204 N 0.85 1.33 -0.55 1.25 0.00 -0.57 -0.20 119.26 121.37 1rjw h ALA 204 Ca 0.10 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1rjw h ALA 204 Cb 0.55 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1rjw h ALA 204 CO 0.03 0.59 0.10 0.87 0.00 0.00 0.00 179.25 180.85 1rjw h LYS 205 N 1.18 0.87 -0.01 0.00 1.57 -1.14 0.18 116.57 119.23 1rjw h LYS 205 Ca 0.31 -0.20 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 1rjw h LYS 205 Cb -0.09 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 1rjw h LYS 205 CO -0.06 0.80 -0.53 0.93 -0.57 0.00 0.00 179.45 180.02 1rjw h GLU 206 N 0.83 0.02 -0.02 3.15 5.08 -0.87 -2.63 114.58 120.15 1rjw h GLU 206 Ca 0.18 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1rjw h GLU 206 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1rjw h GLU 206 CO 0.00 0.55 0.00 1.28 -1.00 0.00 0.00 179.01 179.84 1rjw n LEU 207 N -3.90 0.64 0.00 1.33 4.77 -0.17 -4.90 117.00 114.77 1rjw n LEU 207 Ca -0.01 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1rjw n LEU 207 Cb 0.55 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1rjw n LEU 207 CO 0.41 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1rjw n GLY 208 N 1.05 0.79 3.74 -0.72 0.00 -0.75 -4.52 105.19 104.79 1rjw n GLY 208 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1rjw n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rjw s ALA 209 N -2.00 3.79 0.08 4.61 0.00 0.56 -4.80 121.76 124.00 1rjw s ALA 209 Ca 0.00 1.57 0.03 0.00 0.00 0.00 0.00 51.96 53.56 1rjw s ALA 209 Cb 0.00 -3.66 -0.24 0.00 0.00 0.00 0.00 23.12 19.22 1rjw s ALA 209 CO 0.00 -0.96 1.16 -0.44 0.00 0.00 0.00 175.76 175.52 1rjw h ASP 210 N 5.38 0.18 -5.00 0.00 3.32 -1.57 -3.42 116.42 115.31 1rjw h ASP 210 Ca -0.46 -0.20 -0.16 0.00 0.02 0.00 0.00 57.03 56.23 1rjw h ASP 210 Cb 1.21 -0.06 -0.20 0.00 0.22 0.00 0.00 39.33 40.50 1rjw h ASP 210 CO 0.84 1.16 -0.62 -0.76 -1.72 0.00 0.00 179.24 178.14 1rjw s LEU 211 N -6.84 1.98 0.07 1.55 1.02 -0.65 -5.03 118.68 110.78 1rjw s LEU 211 Ca -0.02 -0.42 0.03 0.00 0.02 0.00 0.00 54.13 53.74 1rjw s LEU 211 Cb 0.09 0.33 -0.03 0.00 0.02 0.00 0.00 46.19 46.60 1rjw s LEU 211 CO 0.84 -0.35 -0.08 0.68 0.02 0.00 0.00 176.35 177.46 1rjw s VAL 212 N -1.60 0.72 -0.27 -1.59 -7.23 -1.26 -0.46 120.40 108.71 1rjw s VAL 212 Ca -0.14 -1.48 -0.21 0.00 -1.81 0.00 0.00 61.98 58.34 1rjw s VAL 212 Cb -0.08 -1.14 0.07 0.00 0.56 0.00 0.00 36.38 35.79 1rjw s VAL 212 CO -0.01 -0.56 0.69 0.54 -0.31 0.00 0.00 175.10 175.45 1rjw s VAL 213 N -2.30 -0.00 -0.31 1.32 0.11 -0.80 -4.93 120.40 113.48 1rjw s VAL 213 Ca 0.01 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 58.96 1rjw s VAL 213 Cb -0.04 -0.97 -0.01 0.00 -1.53 0.00 0.00 36.38 33.83 1rjw s VAL 213 CO -0.01 0.00 0.16 0.21 -3.33 0.00 0.00 175.10 172.13 1rjw s ASN 214 N 0.86 5.61 0.65 3.54 3.84 -1.26 -3.06 114.94 125.12 1rjw s ASN 214 Ca -0.04 -0.52 0.35 0.00 0.21 0.00 0.00 52.86 52.86 1rjw s ASN 214 Cb -0.05 -2.02 1.91 0.00 -0.55 0.00 0.00 41.25 40.54 1rjw s ASN 214 CO -0.07 -0.20 2.10 -0.65 -2.79 0.00 0.00 177.10 175.49 1rjw h PRO 215 N 8.37 0.00 0.00 0.43 0.11 -1.73 -0.98 132.00 138.20 1rjw h PRO 215 Ca -0.32 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.69 1rjw h PRO 215 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1rjw h PRO 215 CO 0.62 0.00 -0.71 -0.07 -0.21 0.00 0.00 178.00 177.63 1rjw h LEU 216 N 0.00 0.00 -0.92 2.35 4.07 -1.89 -3.34 115.31 115.58 1rjw h LEU 216 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1rjw h LEU 216 Cb 0.43 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.17 1rjw h LEU 216 CO -0.00 0.40 -0.35 0.29 -1.08 0.00 0.00 178.44 177.70 1rjw n LYS 217 N -3.07 1.60 -3.59 1.13 5.02 -0.42 -5.03 118.16 113.80 1rjw n LYS 217 Ca -0.01 -0.85 -0.04 0.00 -2.02 0.00 0.00 58.31 55.39 1rjw n LYS 217 Cb 0.72 -1.31 -0.02 0.00 -0.02 0.00 0.00 35.03 34.40 1rjw n LYS 217 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1rjw s GLU 218 N -1.98 0.40 -0.37 1.97 2.12 -0.91 -5.03 118.70 114.90 1rjw s GLU 218 Ca 0.14 -0.16 -0.29 0.00 0.36 0.00 0.00 54.97 55.02 1rjw s GLU 218 Cb 0.14 0.18 0.00 0.00 0.26 0.00 0.00 34.13 34.71 1rjw s GLU 218 CO 0.43 -0.18 1.46 0.34 -0.54 0.00 0.00 175.26 176.77 1rjw s ASP 219 N -2.31 6.33 0.13 -1.70 -1.08 -1.26 -4.19 116.67 112.58 1rjw s ASP 219 Ca 0.09 0.99 -0.17 0.00 -0.52 0.00 0.00 52.55 52.95 1rjw s ASP 219 Cb -0.00 -2.54 -0.02 0.00 -1.46 0.00 0.00 42.92 38.90 1rjw s ASP 219 CO -0.05 -1.41 1.67 0.00 0.52 0.00 0.00 175.17 175.90 1rjw h ALA 220 N 10.78 0.48 -0.52 3.66 0.00 -1.87 -0.82 119.26 130.96 1rjw h ALA 220 Ca -0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1rjw h ALA 220 Cb 1.11 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1rjw h ALA 220 CO 1.07 0.08 0.27 0.00 0.00 0.00 0.00 179.25 180.67 1rjw h ALA 221 N 0.99 0.67 -0.58 0.00 0.00 -1.89 -1.86 119.26 116.59 1rjw h ALA 221 Ca 0.12 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1rjw h ALA 221 Cb 0.19 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1rjw h ALA 221 CO -0.01 0.21 0.21 -0.22 0.00 0.00 0.00 179.25 179.44 1rjw h LYS 222 N 0.70 0.88 -0.46 0.00 3.64 -1.86 -0.77 116.57 118.69 1rjw h LYS 222 Ca 0.18 -0.17 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1rjw h LYS 222 Cb 0.08 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 1rjw h LYS 222 CO -0.03 0.77 0.21 0.35 -2.27 0.00 0.00 179.45 178.49 1rjw h PHE 223 N 0.80 0.39 -0.12 1.91 3.04 -0.85 -0.66 116.94 121.45 1rjw h PHE 223 Ca 0.19 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 62.04 1rjw h PHE 223 Cb 0.24 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.63 1rjw h PHE 223 CO 0.01 0.18 -0.44 0.52 -2.02 0.00 0.00 178.31 176.56 1rjw h MET 224 N 0.42 0.28 -0.42 1.11 2.86 -1.06 0.20 114.93 118.31 1rjw h MET 224 Ca 0.21 -0.14 -0.12 0.00 -2.06 0.00 0.00 59.70 57.58 1rjw h MET 224 Cb 0.14 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1rjw h MET 224 CO -0.17 0.67 -0.23 0.87 1.06 0.00 0.00 176.91 179.12 1rjw h LYS 225 N 0.23 0.89 0.07 1.72 1.57 -0.72 -0.24 116.57 120.08 1rjw h LYS 225 Ca 0.02 -0.40 -0.21 0.00 -1.87 0.00 0.00 60.65 58.18 1rjw h LYS 225 Cb 0.88 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 33.19 1rjw h LYS 225 CO 0.07 1.05 -0.87 0.93 -0.57 0.00 0.00 179.45 180.06 1rjw h GLU 226 N 0.72 0.48 -0.13 3.15 5.08 -0.98 -1.41 114.58 121.49 1rjw h GLU 226 Ca 0.09 -0.60 -0.10 0.00 -1.00 0.00 0.00 59.36 57.75 1rjw h GLU 226 Cb 0.80 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1rjw h GLU 226 CO 0.07 1.24 -0.31 0.87 -1.00 0.00 0.00 179.01 179.87 1rjw h LYS 227 N -0.01 0.44 0.00 2.33 1.79 -0.67 -3.40 116.57 117.06 1rjw h LYS 227 Ca -0.13 -0.30 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 1rjw h LYS 227 Cb 1.59 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 32.29 1rjw h LYS 227 CO 0.17 0.91 0.00 1.33 -1.08 0.00 0.00 179.45 180.78 1rjw n VAL 228 N -4.39 0.00 -2.15 0.50 0.24 -0.67 -5.01 118.33 106.85 1rjw n VAL 228 Ca -0.07 -0.31 -0.01 0.00 -2.04 0.00 0.00 64.34 61.91 1rjw n VAL 228 Cb 0.48 1.38 0.00 0.00 -1.47 0.00 0.00 33.84 34.23 1rjw n VAL 228 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rjw n GLY 229 N -0.00 0.48 0.00 7.63 0.00 -0.53 -4.82 105.19 107.94 1rjw n GLY 229 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1rjw n GLY 229 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rjw n GLY 230 N -0.89 -1.63 3.87 -0.02 0.00 -0.19 -4.72 105.19 101.61 1rjw n GLY 230 Ca -0.01 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 1rjw n GLY 230 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rjw s VAL 231 N -1.89 4.69 -0.12 1.61 -7.23 -0.70 -4.54 120.40 112.21 1rjw s VAL 231 Ca 0.00 0.88 0.24 0.00 -1.81 0.00 0.00 61.98 61.29 1rjw s VAL 231 Cb 0.00 -3.81 0.26 0.00 0.56 0.00 0.00 36.38 33.39 1rjw s VAL 231 CO 0.00 -0.92 1.71 0.45 -0.31 0.00 0.00 175.10 176.03 1rjw h HIS 232 N 0.27 0.00 -2.55 2.82 3.86 -0.92 0.53 115.15 119.16 1rjw h HIS 232 Ca -0.45 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 58.83 1rjw h HIS 232 Cb 1.19 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.53 1rjw h HIS 232 CO 0.64 0.16 0.39 0.00 0.86 0.00 0.00 177.93 179.98 1rjw s ALA 233 N -3.36 -1.70 0.03 2.45 0.00 -1.14 -2.86 121.76 115.17 1rjw s ALA 233 Ca 0.04 0.68 0.03 0.00 0.00 0.00 0.00 51.96 52.70 1rjw s ALA 233 Cb 0.08 0.61 -0.02 0.00 0.00 0.00 0.00 23.12 23.79 1rjw s ALA 233 CO 0.65 -0.77 -0.09 0.00 0.00 0.00 0.00 175.76 175.55 1rjw s ALA 234 N -3.38 0.69 -0.20 0.00 0.00 -0.54 -0.75 121.76 117.58 1rjw s ALA 234 Ca 0.05 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.37 1rjw s ALA 234 Cb -0.01 -0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.10 1rjw s ALA 234 CO -0.08 0.07 -0.12 0.08 0.00 0.00 0.00 175.76 175.72 1rjw s VAL 235 N -0.93 1.73 -0.51 0.00 1.01 0.27 -0.69 120.40 121.28 1rjw s VAL 235 Ca -0.04 -1.04 -0.18 0.00 0.00 0.00 0.00 61.98 60.72 1rjw s VAL 235 Cb -0.07 -1.77 0.07 0.00 0.00 0.00 0.00 36.38 34.61 1rjw s VAL 235 CO 0.01 0.21 0.56 -0.69 0.00 0.00 0.00 175.10 175.19 1rjw s VAL 236 N 1.36 4.98 -0.07 2.92 1.01 -0.02 -1.52 120.40 129.07 1rjw s VAL 236 Ca -0.01 -0.74 0.13 0.00 0.00 0.00 0.00 61.98 61.36 1rjw s VAL 236 Cb -0.16 -4.27 -0.11 0.00 0.00 0.00 0.00 36.38 31.84 1rjw s VAL 236 CO -0.09 -0.78 1.08 0.71 0.00 0.00 0.00 175.10 176.03 1rjw h THR 237 N 5.84 0.93 -3.14 3.92 1.35 -1.65 -2.27 112.91 117.89 1rjw h THR 237 Ca -0.28 -2.49 -0.63 0.00 -0.55 0.00 0.00 66.41 62.45 1rjw h THR 237 Cb 1.10 2.39 -0.41 0.00 -1.73 0.00 0.00 68.15 69.50 1rjw h THR 237 CO 0.96 0.53 -0.50 0.00 -0.25 0.00 0.00 175.52 176.25 1rjw s ALA 238 N -2.83 3.86 0.11 6.62 0.00 -1.23 -4.19 121.76 124.09 1rjw s ALA 238 Ca -0.00 -3.81 -0.31 0.00 0.00 0.00 0.00 51.96 47.83 1rjw s ALA 238 Cb 0.09 -2.27 -0.08 0.00 0.00 0.00 0.00 23.12 20.85 1rjw s ALA 238 CO 0.80 -2.10 1.53 0.08 0.00 0.00 0.00 175.76 176.06 1rjw s VAL 239 N -1.38 3.04 0.10 0.00 1.01 -1.26 -4.84 120.40 117.06 1rjw s VAL 239 Ca 0.25 0.66 -0.24 0.00 0.00 0.00 0.00 61.98 62.65 1rjw s VAL 239 Cb -0.06 -3.42 0.06 0.00 0.00 0.00 0.00 36.38 32.96 1rjw s VAL 239 CO -0.15 0.03 0.58 -0.94 0.00 0.00 0.00 175.10 174.62 1rjw s SER 240 N 1.57 -0.53 0.15 3.32 1.04 -1.26 -4.78 113.70 113.21 1rjw s SER 240 Ca 0.69 0.13 -0.21 0.00 0.48 0.00 0.00 55.95 57.04 1rjw s SER 240 Cb -0.39 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.31 1rjw s SER 240 CO 0.31 -0.84 1.64 0.50 0.98 0.00 0.00 173.24 175.83 1rjw h LYS 241 N 2.37 -0.19 -0.69 4.02 3.64 -1.94 -1.17 116.57 122.62 1rjw h LYS 241 Ca -0.32 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.02 1rjw h LYS 241 Cb 1.25 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.09 1rjw h LYS 241 CO 0.40 -0.13 0.24 -1.00 -2.27 0.00 0.00 179.45 176.69 1rjw h PRO 242 N -0.20 1.05 -0.19 1.90 0.13 -1.98 -1.41 132.00 131.29 1rjw h PRO 242 Ca 0.14 -0.21 -0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1rjw h PRO 242 Cb 0.41 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.37 1rjw h PRO 242 CO -0.37 0.89 0.11 0.00 -0.23 0.00 0.00 178.00 178.41 1rjw h ALA 243 N 1.11 0.25 -0.72 -0.56 0.00 -1.81 -0.85 119.26 116.67 1rjw h ALA 243 Ca 0.22 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1rjw h ALA 243 Cb 0.26 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1rjw h ALA 243 CO -0.01 -0.23 0.34 0.35 0.00 0.00 0.00 179.25 179.70 1rjw h PHE 244 N 0.22 1.04 -0.64 0.00 3.57 -1.15 -0.29 116.94 119.69 1rjw h PHE 244 Ca 0.07 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1rjw h PHE 244 Cb 0.05 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 1rjw h PHE 244 CO -0.04 0.77 0.42 0.37 -2.23 0.00 0.00 178.31 177.60 1rjw h GLN 245 N 1.00 0.83 0.05 1.11 5.75 -0.98 0.11 115.11 122.99 1rjw h GLN 245 Ca 0.25 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.69 1rjw h GLN 245 Cb 0.13 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.49 1rjw h GLN 245 CO -0.03 0.55 -0.02 1.03 -2.65 0.00 0.00 178.83 177.71 1rjw h SER 246 N 0.86 -0.05 -0.17 -0.69 0.87 -0.79 -2.57 113.55 111.00 1rjw h SER 246 Ca 0.24 -0.20 0.04 0.00 -1.23 0.00 0.00 61.79 60.63 1rjw h SER 246 Cb -0.09 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 61.85 1rjw h SER 246 CO -0.06 0.17 -0.06 0.00 -0.53 0.00 0.00 176.83 176.36 1rjw h ALA 247 N 0.66 0.09 -0.63 6.23 0.00 -0.77 -0.88 119.26 123.95 1rjw h ALA 247 Ca -0.01 0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.10 1rjw h ALA 247 Cb 0.26 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1rjw h ALA 247 CO 0.01 -0.50 0.43 -0.92 0.00 0.00 0.00 179.25 178.27 1rjw h TYR 248 N -0.03 0.33 0.00 0.00 5.03 -0.77 -1.09 116.97 120.44 1rjw h TYR 248 Ca 0.09 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.41 1rjw h TYR 248 Cb 0.16 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 38.34 1rjw h TYR 248 CO -0.21 0.14 -0.34 0.09 -1.32 0.00 0.00 178.16 176.52 1rjw n ASN 249 N -4.45 0.39 -0.23 -2.11 5.03 -0.43 -3.95 115.26 109.51 1rjw n ASN 249 Ca 0.11 0.09 0.10 0.00 0.87 0.00 0.00 54.58 55.75 1rjw n ASN 249 Cb 0.49 -0.06 -0.07 0.00 -1.02 0.00 0.00 39.78 39.13 1rjw n ASN 249 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1rjw n SER 250 N -1.64 1.47 -4.80 6.41 3.41 -0.42 -4.86 113.62 113.20 1rjw n SER 250 Ca 0.06 -1.24 -0.38 0.00 -0.26 0.00 0.00 58.87 57.05 1rjw n SER 250 Cb 0.36 0.76 -0.06 0.00 -0.26 0.00 0.00 64.21 65.00 1rjw n SER 250 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1rjw s ILE 251 N -2.73 4.55 0.69 -1.33 1.01 -1.13 -1.72 121.20 120.54 1rjw s ILE 251 Ca 0.13 1.41 -0.11 0.00 0.00 0.00 0.00 60.65 62.08 1rjw s ILE 251 Cb 0.17 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.66 1rjw s ILE 251 CO 0.72 0.45 1.06 0.00 0.00 0.00 0.00 174.94 177.17 1rjw s ARG 252 N -1.35 3.00 0.37 2.79 1.70 0.18 -4.82 118.95 120.83 1rjw s ARG 252 Ca 0.35 0.89 -0.25 0.00 -0.47 0.00 0.00 55.73 56.25 1rjw s ARG 252 Cb -0.20 -2.00 -0.12 0.00 -0.57 0.00 0.00 34.95 32.05 1rjw s ARG 252 CO 0.22 -1.03 0.87 0.54 -1.08 0.00 0.00 175.30 174.82 1rjw n ARG 253 N -3.08 1.10 -0.92 3.89 1.74 -1.26 -0.70 116.66 117.43 1rjw n ARG 253 Ca 0.07 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 1rjw n ARG 253 Cb 0.54 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 1rjw n ARG 253 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rjw n GLY 254 N 1.38 0.55 3.93 -0.13 0.00 0.23 -4.97 105.19 106.17 1rjw n GLY 254 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1rjw n GLY 254 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rjw s GLY 255 N -2.00 1.72 -0.04 -0.02 0.00 0.12 -4.80 107.32 102.30 1rjw s GLY 255 Ca 0.00 -1.11 0.06 0.00 0.00 0.00 0.00 44.72 43.67 1rjw s GLY 255 CO 0.00 -0.49 -0.23 0.00 0.00 0.00 0.00 173.10 172.38 1rjw s ALA 256 N -3.62 1.97 -0.32 3.20 0.00 -1.14 -1.14 121.76 120.71 1rjw s ALA 256 Ca 0.68 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 51.63 1rjw s ALA 256 Cb -0.07 -0.59 0.04 0.00 0.00 0.00 0.00 23.12 22.50 1rjw s ALA 256 CO 0.50 0.40 0.06 0.00 0.00 0.00 0.00 175.76 176.72 1rjw s VAL 258 N 1.36 5.29 -0.16 0.00 1.01 0.13 -1.18 120.40 126.86 1rjw s VAL 258 Ca -0.02 0.16 -0.13 0.00 0.00 0.00 0.00 61.98 61.99 1rjw s VAL 258 Cb -0.19 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1rjw s VAL 258 CO 0.01 0.28 0.26 -0.76 0.00 0.00 0.00 175.10 174.89 1rjw s LEU 259 N 1.56 4.25 -0.01 3.92 1.43 0.52 -0.84 118.68 129.52 1rjw s LEU 259 Ca 0.07 0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.66 1rjw s LEU 259 Cb -0.15 -2.31 -0.03 0.00 0.03 0.00 0.00 46.19 43.73 1rjw s LEU 259 CO 0.09 0.14 0.03 0.52 0.23 0.00 0.00 176.35 177.36 1rjw n VAL 260 N 3.41 0.04 -1.41 -1.59 0.31 -0.86 -1.38 118.33 116.85 1rjw n VAL 260 Ca -0.13 -0.05 -0.30 0.00 -0.01 0.00 0.00 64.34 63.84 1rjw n VAL 260 Cb 0.52 0.02 0.10 0.00 -0.91 0.00 0.00 33.84 33.57 1rjw n VAL 260 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1rjw s GLY 261 N -2.54 1.63 -0.56 2.92 0.00 -1.21 -4.90 107.32 102.66 1rjw s GLY 261 Ca -0.01 -0.10 0.07 0.00 0.00 0.00 0.00 44.72 44.68 1rjw s GLY 261 CO 0.08 0.33 0.66 1.04 0.00 0.00 0.00 173.10 175.22 1rjw n LEU 262 N -3.58 2.53 -4.88 0.66 4.77 -1.26 -4.90 117.00 110.33 1rjw n LEU 262 Ca 0.07 -5.18 -0.30 0.00 -0.03 0.00 0.00 56.01 50.57 1rjw n LEU 262 Cb 0.55 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.37 1rjw n LEU 262 CO 0.56 2.05 0.25 -2.16 -1.33 0.00 0.00 177.39 176.76 1rjw s PRO 263 N -2.00 3.74 0.00 3.23 0.04 -1.26 -5.02 135.00 133.74 1rjw s PRO 263 Ca 0.38 0.22 0.10 0.00 0.04 0.00 0.00 61.00 61.74 1rjw s PRO 263 Cb 0.15 -2.60 0.30 0.00 0.04 0.00 0.00 34.50 32.39 1rjw s PRO 263 CO -0.05 0.22 1.24 -0.35 0.04 0.00 0.00 177.00 178.11 1rjw n PRO 264 N -0.60 1.68 -3.08 0.56 -0.04 -1.26 -4.93 135.00 127.33 1rjw n PRO 264 Ca 0.00 -1.05 -0.19 0.00 -0.04 0.00 0.00 63.50 62.22 1rjw n PRO 264 Cb 0.53 -1.24 0.03 0.00 -0.04 0.00 0.00 33.50 32.79 1rjw n PRO 264 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1rjw s GLU 265 N -1.62 2.53 -0.01 0.54 2.12 -1.26 -5.12 118.70 115.88 1rjw s GLU 265 Ca 0.21 -1.49 -0.01 0.00 0.36 0.00 0.00 54.97 54.04 1rjw s GLU 265 Cb 0.11 -2.66 -0.04 0.00 0.26 0.00 0.00 34.13 31.80 1rjw s GLU 265 CO 0.14 -0.59 0.10 -1.83 -0.54 0.00 0.00 175.26 172.55 1rjw s GLU 266 N -4.50 3.14 -0.26 4.30 4.04 -1.26 -5.10 118.70 119.06 1rjw s GLU 266 Ca 0.57 -0.45 -0.05 0.00 0.04 0.00 0.00 54.97 55.08 1rjw s GLU 266 Cb -0.07 -2.91 0.00 0.00 0.02 0.00 0.00 34.13 31.17 1rjw s GLU 266 CO 0.35 0.65 0.02 -1.64 -1.84 0.00 0.00 175.26 172.81 1rjw s MET 267 N -1.78 3.19 0.20 -4.83 -1.94 -1.26 -4.95 119.30 107.92 1rjw s MET 267 Ca 0.24 -0.77 -0.30 0.00 -1.71 0.00 0.00 55.69 53.15 1rjw s MET 267 Cb -0.12 -3.19 -0.08 0.00 2.01 0.00 0.00 34.83 33.45 1rjw s MET 267 CO 0.15 -0.34 1.00 -2.14 -0.01 0.00 0.00 175.02 173.68 1rjw s PRO 268 N 1.47 4.73 -0.04 2.03 0.02 -1.26 -5.05 135.00 136.90 1rjw s PRO 268 Ca 0.03 1.56 0.04 0.00 0.02 0.00 0.00 61.00 62.65 1rjw s PRO 268 Cb -0.16 -3.30 0.00 0.00 0.02 0.00 0.00 34.50 31.06 1rjw s PRO 268 CO -0.00 0.31 -0.15 0.96 -0.33 0.00 0.00 177.00 177.79 1rjw s ILE 269 N -0.66 1.26 -0.09 2.83 -4.36 -1.26 -5.01 121.20 113.91 1rjw s ILE 269 Ca 0.45 -0.61 -0.30 0.00 -0.26 0.00 0.00 60.65 59.93 1rjw s ILE 269 Cb -0.27 -1.10 -0.04 0.00 1.25 0.00 0.00 42.46 42.30 1rjw s ILE 269 CO 0.33 0.37 1.56 -2.84 0.24 0.00 0.00 174.94 174.60 1rjw s PRO 270 N 0.17 4.17 0.03 0.37 0.02 -1.26 -4.91 135.00 133.59 1rjw s PRO 270 Ca -0.06 2.03 -0.21 0.00 0.02 0.00 0.00 61.00 62.78 1rjw s PRO 270 Cb -0.12 -3.94 -0.16 0.00 0.02 0.00 0.00 34.50 30.31 1rjw s PRO 270 CO 0.02 -0.84 1.33 0.82 -0.33 0.00 0.00 177.00 177.99 1rjw h ILE 271 N 5.59 1.36 -0.04 2.83 2.04 -1.99 -1.71 117.51 125.59 1rjw h ILE 271 Ca -0.36 -1.30 0.02 0.00 1.00 0.00 0.00 64.86 64.23 1rjw h ILE 271 Cb 1.16 1.94 -0.03 0.00 -0.74 0.00 0.00 36.82 39.15 1rjw h ILE 271 CO 0.96 0.37 -0.11 0.15 0.00 0.00 0.00 178.15 179.52 1rjw h PHE 272 N -0.10 -0.28 0.21 1.37 3.57 -2.00 -2.00 116.94 117.71 1rjw h PHE 272 Ca 0.02 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1rjw h PHE 272 Cb 0.66 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.53 1rjw h PHE 272 CO 0.09 -0.17 -0.10 -0.44 -2.23 0.00 0.00 178.31 175.46 1rjw h ASP 273 N -0.17 -0.24 -0.99 0.41 5.19 -1.97 -2.38 116.42 116.27 1rjw h ASP 273 Ca 0.05 -0.04 0.12 0.00 -0.62 0.00 0.00 57.03 56.54 1rjw h ASP 273 Cb 0.24 0.06 -0.08 0.00 0.18 0.00 0.00 39.33 39.73 1rjw h ASP 273 CO -0.14 -0.11 0.62 0.74 -3.12 0.00 0.00 179.24 177.22 1rjw h THR 274 N -0.35 0.91 -0.01 0.35 2.02 -1.20 0.70 112.91 115.33 1rjw h THR 274 Ca -0.03 -0.33 -0.11 0.00 0.77 0.00 0.00 66.41 66.71 1rjw h THR 274 Cb 0.27 -0.14 0.01 0.00 -1.74 0.00 0.00 68.15 66.55 1rjw h THR 274 CO 0.05 0.18 -0.41 0.58 0.37 0.00 0.00 175.52 176.29 1rjw h VAL 275 N 0.97 1.48 -0.78 3.16 2.07 -1.36 -2.15 116.25 119.64 1rjw h VAL 275 Ca 0.49 -1.97 -0.05 0.00 0.82 0.00 0.00 66.70 65.99 1rjw h VAL 275 Cb 0.48 2.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.85 1rjw h VAL 275 CO -0.27 0.56 0.28 0.25 0.02 0.00 0.00 177.57 178.41 1rjw h LEU 276 N -0.29 1.10 -0.91 2.57 5.85 -1.24 -3.09 115.31 119.32 1rjw h LEU 276 Ca -0.05 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1rjw h LEU 276 Cb 1.13 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1rjw h LEU 276 CO 0.08 1.00 -0.15 -0.46 -0.34 0.00 0.00 178.44 178.57 1rjw n ASN 277 N -4.26 1.56 -2.52 1.25 0.23 0.22 -4.97 115.26 106.77 1rjw n ASN 277 Ca 0.07 -1.33 -0.19 0.00 -0.53 0.00 0.00 54.58 52.59 1rjw n ASN 277 Cb 0.21 0.10 -0.00 0.00 -2.08 0.00 0.00 39.78 38.01 1rjw n ASN 277 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rjw n GLY 278 N 1.28 -0.50 3.78 4.83 0.00 -0.83 0.76 105.19 114.50 1rjw n GLY 278 Ca 0.15 0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1rjw n GLY 278 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rjw s ILE 279 N -2.95 3.64 -0.05 -0.61 1.01 -1.05 -3.42 121.20 117.78 1rjw s ILE 279 Ca 0.05 1.23 0.05 0.00 0.00 0.00 0.00 60.65 61.98 1rjw s ILE 279 Cb -0.02 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 1rjw s ILE 279 CO 0.06 -0.02 -0.20 -0.54 0.00 0.00 0.00 174.94 174.24 1rjw s LYS 280 N -2.60 2.50 -0.24 2.79 1.02 -0.30 -4.90 119.74 118.01 1rjw s LYS 280 Ca 0.60 -0.81 0.01 0.00 0.02 0.00 0.00 55.97 55.79 1rjw s LYS 280 Cb -0.22 -2.26 0.04 0.00 -0.52 0.00 0.00 37.83 34.86 1rjw s LYS 280 CO 0.28 0.51 -0.11 0.42 -0.92 0.00 0.00 175.35 175.52 1rjw s ILE 281 N -0.46 2.40 -0.02 2.17 1.01 -1.26 0.09 121.20 125.12 1rjw s ILE 281 Ca 0.05 -1.25 0.06 0.00 0.00 0.00 0.00 60.65 59.51 1rjw s ILE 281 Cb -0.12 -2.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.10 1rjw s ILE 281 CO 0.01 0.19 -0.20 -0.63 0.00 0.00 0.00 174.94 174.32 1rjw s ILE 282 N 1.23 1.57 -0.10 2.92 1.01 -0.32 -4.98 121.20 122.53 1rjw s ILE 282 Ca -0.02 -0.83 -0.06 0.00 0.00 0.00 0.00 60.65 59.74 1rjw s ILE 282 Cb -0.17 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 1rjw s ILE 282 CO -0.07 0.44 0.13 -0.83 0.00 0.00 0.00 174.94 174.61 1rjw s GLY 283 N -0.34 2.12 -0.11 6.18 0.00 -1.26 -0.35 107.32 113.56 1rjw s GLY 283 Ca 0.04 -0.69 -0.07 0.00 0.00 0.00 0.00 44.72 44.01 1rjw s GLY 283 CO 0.00 -0.46 0.27 -0.45 0.00 0.00 0.00 173.10 172.46 1rjw s SER 284 N -1.18 -0.30 0.00 1.64 0.15 -0.48 -4.91 113.70 108.63 1rjw s SER 284 Ca 0.17 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.39 1rjw s SER 284 Cb -0.12 0.49 -0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1rjw s SER 284 CO 0.06 -0.15 -0.01 -0.51 1.20 0.00 0.00 173.24 173.84 1rjw s ILE 285 N 0.94 0.02 0.00 6.45 -1.16 -1.26 -4.38 121.20 121.81 1rjw s ILE 285 Ca -0.07 -0.17 0.00 0.00 -0.51 0.00 0.00 60.65 59.91 1rjw s ILE 285 Cb -0.08 -0.06 0.00 0.00 0.61 0.00 0.00 42.46 42.94 1rjw s ILE 285 CO -0.06 -0.09 0.00 1.33 -2.81 0.00 0.00 174.94 173.31 1rjw n VAL 286 N 2.81 0.00 -3.66 4.00 0.24 -1.26 -4.93 118.33 115.53 1rjw n VAL 286 Ca -0.14 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.18 1rjw n VAL 286 Cb 0.59 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.96 1rjw n VAL 286 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1rjw s GLY 287 N -0.16 -0.39 1.06 7.63 0.00 -1.26 -4.23 107.32 109.96 1rjw s GLY 287 Ca 0.00 0.65 -0.16 0.00 0.00 0.00 0.00 44.72 45.21 1rjw s GLY 287 CO 0.00 0.87 1.16 -0.51 0.00 0.00 0.00 173.10 174.61 1rjw s THR 288 N -2.30 1.82 0.29 0.90 -4.23 -1.26 -4.79 115.64 106.08 1rjw s THR 288 Ca 0.16 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.66 1rjw s THR 288 Cb 0.05 -2.65 0.20 0.00 1.34 0.00 0.00 72.50 71.44 1rjw s THR 288 CO -0.04 0.00 1.89 0.03 -0.54 0.00 0.00 174.62 175.96 1rjw h ARG 289 N -2.06 0.93 -0.30 3.99 3.08 -1.99 -1.27 114.38 116.76 1rjw h ARG 289 Ca -0.47 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.41 1rjw h ARG 289 Cb 1.30 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 1rjw h ARG 289 CO 0.44 0.72 0.02 -0.22 -1.07 0.00 0.00 179.97 179.86 1rjw h LYS 290 N 0.92 0.52 -0.70 0.04 3.11 -1.99 -0.95 116.57 117.53 1rjw h LYS 290 Ca 0.23 -0.16 0.02 0.00 -2.81 0.00 0.00 60.65 57.93 1rjw h LYS 290 Cb 0.10 -0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 31.24 1rjw h LYS 290 CO -0.03 0.65 0.45 -0.44 -2.81 0.00 0.00 179.45 177.27 1rjw h ASP 291 N 0.33 0.77 -0.53 4.20 3.32 -1.81 -1.17 116.42 121.52 1rjw h ASP 291 Ca 0.09 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 1rjw h ASP 291 Cb 0.40 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1rjw h ASP 291 CO 0.01 0.54 0.03 0.25 -1.72 0.00 0.00 179.24 178.36 1rjw h LEU 292 N 0.91 0.89 -0.73 1.55 5.85 -1.07 0.89 115.31 123.60 1rjw h LEU 292 Ca 0.27 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1rjw h LEU 292 Cb -0.05 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 1rjw h LEU 292 CO -0.08 0.96 0.39 1.56 -0.34 0.00 0.00 178.44 180.93 1rjw h GLN 293 N 0.79 1.02 -0.39 1.25 4.20 -0.86 -0.05 115.11 121.06 1rjw h GLN 293 Ca 0.16 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 1rjw h GLN 293 Cb 0.48 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1rjw h GLN 293 CO 0.02 0.77 0.07 0.93 -0.67 0.00 0.00 178.83 179.94 1rjw h GLU 294 N 1.00 0.65 -0.77 1.46 5.08 -0.91 -1.77 114.58 119.32 1rjw h GLU 294 Ca 0.25 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1rjw h GLU 294 Cb 0.05 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 1rjw h GLU 294 CO -0.04 0.70 0.34 0.00 -1.00 0.00 0.00 179.01 179.02 1rjw h ALA 295 N 0.92 1.15 -0.38 3.43 0.00 -0.42 -2.49 119.26 121.47 1rjw h ALA 295 Ca 0.12 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1rjw h ALA 295 Cb 0.36 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1rjw h ALA 295 CO 0.01 0.63 -0.18 -0.07 0.00 0.00 0.00 179.25 179.63 1rjw h LEU 296 N 1.11 0.72 -1.01 0.00 3.38 -0.89 -3.01 115.31 115.61 1rjw h LEU 296 Ca 0.26 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1rjw h LEU 296 Cb 0.15 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1rjw h LEU 296 CO -0.03 0.91 0.33 -0.61 0.09 0.00 0.00 178.44 179.13 1rjw h GLN 297 N 0.64 1.04 -0.51 1.13 5.75 -0.87 -0.53 115.11 121.75 1rjw h GLN 297 Ca 0.10 -0.15 -0.04 0.00 -0.15 0.00 0.00 58.65 58.41 1rjw h GLN 297 Cb 0.67 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 29.00 1rjw h GLN 297 CO 0.05 0.81 0.17 0.74 -2.65 0.00 0.00 178.83 177.95 1rjw h PHE 298 N 1.03 0.76 -0.16 3.99 0.04 -1.37 -1.24 116.94 119.98 1rjw h PHE 298 Ca 0.25 -0.05 -0.04 0.00 2.80 0.00 0.00 57.97 60.93 1rjw h PHE 298 Cb 0.13 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.04 1rjw h PHE 298 CO 0.01 0.61 -0.06 0.00 -0.60 0.00 0.00 178.31 178.27 1rjw h ALA 299 N 1.45 0.22 0.00 2.45 0.00 -1.27 -1.75 119.26 120.36 1rjw h ALA 299 Ca 0.17 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1rjw h ALA 299 Cb 0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1rjw h ALA 299 CO -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 179.25 179.24 1rjw h ALA 300 N 0.69 1.64 -0.01 0.00 0.00 -0.76 0.31 119.26 121.13 1rjw h ALA 300 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1rjw h ALA 300 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1rjw h ALA 300 CO 0.02 0.01 -0.06 0.39 0.00 0.00 0.00 179.25 179.61 1rjw n GLU 301 N -4.02 1.26 -1.14 0.00 1.02 -0.50 -4.93 120.64 112.33 1rjw n GLU 301 Ca -0.03 -0.61 -0.03 0.00 -0.02 0.00 0.00 57.16 56.48 1rjw n GLU 301 Cb 0.09 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.01 1rjw n GLU 301 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rjw n GLY 302 N 1.19 0.58 0.04 0.62 0.00 0.10 -4.93 105.19 102.79 1rjw n GLY 302 Ca 0.18 -0.94 0.11 0.00 0.00 0.00 0.00 46.02 45.38 1rjw n GLY 302 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rjw n LYS 303 N -2.82 0.31 -3.80 1.61 5.02 -0.67 -4.89 118.16 112.92 1rjw n LYS 303 Ca -0.03 0.01 -0.14 0.00 -2.02 0.00 0.00 58.31 56.13 1rjw n LYS 303 Cb 0.12 -1.61 -0.15 0.00 -0.02 0.00 0.00 35.03 33.37 1rjw n LYS 303 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1rjw s VAL 304 N -3.21 -0.04 -0.00 -0.18 1.01 -1.22 -4.74 120.40 112.02 1rjw s VAL 304 Ca 0.04 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1rjw s VAL 304 Cb 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 36.44 1rjw s VAL 304 CO 0.79 0.06 -0.00 -0.54 0.00 0.00 0.00 175.10 175.41 1rjw s LYS 305 N 0.74 0.05 -0.15 2.72 1.02 -1.26 -4.46 119.74 118.41 1rjw s LYS 305 Ca -0.06 0.00 -0.09 0.00 0.02 0.00 0.00 55.97 55.84 1rjw s LYS 305 Cb -0.09 -0.08 -0.04 0.00 -0.52 0.00 0.00 37.83 37.10 1rjw s LYS 305 CO -0.02 -0.01 0.15 0.99 -0.92 0.00 0.00 175.35 175.54 1rjw s THR 306 N 0.12 5.45 -0.48 2.17 2.01 -1.26 -4.87 115.64 118.77 1rjw s THR 306 Ca -0.01 0.24 -0.29 0.00 0.31 0.00 0.00 61.69 61.94 1rjw s THR 306 Cb -0.02 -3.45 0.03 0.00 0.01 0.00 0.00 72.50 69.07 1rjw s THR 306 CO -0.00 0.54 1.15 -0.63 -0.69 0.00 0.00 174.62 174.99 1rjw s ILE 307 N -0.46 4.18 0.13 1.82 1.01 -1.26 -4.99 121.20 121.63 1rjw s ILE 307 Ca 0.13 1.20 0.07 0.00 0.00 0.00 0.00 60.65 62.05 1rjw s ILE 307 Cb -0.12 -4.61 -0.04 0.00 0.01 0.00 0.00 42.46 37.71 1rjw s ILE 307 CO 0.02 -1.03 -0.17 0.27 0.00 0.00 0.00 174.94 174.03 1rjw s ILE 308 N 4.52 1.56 -0.13 2.92 -5.25 -1.26 -0.66 121.20 122.89 1rjw s ILE 308 Ca 0.48 -1.71 0.02 0.00 -0.99 0.00 0.00 60.65 58.45 1rjw s ILE 308 Cb -0.07 -1.60 0.01 0.00 2.95 0.00 0.00 42.46 43.75 1rjw s ILE 308 CO 0.32 -0.29 -0.20 -0.70 -1.79 0.00 0.00 174.94 172.28 1rjw s GLU 309 N -2.48 2.76 -0.04 0.37 2.12 0.33 -4.95 118.70 116.82 1rjw s GLU 309 Ca 0.10 -0.76 -0.16 0.00 0.36 0.00 0.00 54.97 54.51 1rjw s GLU 309 Cb -0.07 -2.27 -0.05 0.00 0.26 0.00 0.00 34.13 32.00 1rjw s GLU 309 CO 0.04 -0.04 0.43 0.08 -0.54 0.00 0.00 175.26 175.23 1rjw s VAL 310 N 0.90 5.07 0.01 3.70 1.01 -1.26 -1.27 120.40 128.56 1rjw s VAL 310 Ca -0.06 0.88 -0.07 0.00 0.00 0.00 0.00 61.98 62.73 1rjw s VAL 310 Cb -0.15 -3.75 -0.00 0.00 0.00 0.00 0.00 36.38 32.48 1rjw s VAL 310 CO -0.03 0.49 0.13 -1.10 0.00 0.00 0.00 175.10 174.60 1rjw s GLN 311 N -0.48 0.52 0.56 2.72 -1.52 -0.62 -4.96 119.66 115.89 1rjw s GLN 311 Ca 0.24 -0.49 -0.17 0.00 -1.95 0.00 0.00 55.36 53.00 1rjw s GLN 311 Cb -0.16 0.21 -0.05 0.00 -0.22 0.00 0.00 33.01 32.79 1rjw s GLN 311 CO 0.12 -0.13 1.05 -1.25 -0.25 0.00 0.00 175.29 174.83 1rjw s PRO 312 N -1.71 3.46 0.29 2.91 0.04 -1.26 -0.82 135.00 137.90 1rjw s PRO 312 Ca -0.12 1.23 0.02 0.00 0.04 0.00 0.00 61.00 62.17 1rjw s PRO 312 Cb -0.06 -2.05 0.71 0.00 0.04 0.00 0.00 34.50 33.14 1rjw s PRO 312 CO 0.00 -0.70 1.66 1.25 0.04 0.00 0.00 177.00 179.25 1rjw h LEU 313 N 0.72 0.09 -2.00 -3.56 5.85 -1.86 -0.95 115.31 113.61 1rjw h LEU 313 Ca -0.47 0.18 0.18 0.00 0.84 0.00 0.00 57.88 58.61 1rjw h LEU 313 Cb 1.22 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 1rjw h LEU 313 CO 0.58 -0.11 0.47 -0.33 -0.34 0.00 0.00 178.44 178.71 1rjw h GLU 314 N 0.26 0.00 -0.55 1.25 3.07 -1.92 -1.23 114.58 115.46 1rjw h GLU 314 Ca 0.55 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.41 1rjw h GLU 314 Cb 1.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 1rjw h GLU 314 CO -0.61 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 178.63 1rjw n LYS 315 N -4.24 2.16 -0.18 2.33 5.02 -0.36 -4.46 118.16 118.42 1rjw n LYS 315 Ca 0.12 -1.24 -0.01 0.00 -2.02 0.00 0.00 58.31 55.16 1rjw n LYS 315 Cb 0.71 -1.51 0.09 0.00 -0.02 0.00 0.00 35.03 34.30 1rjw n LYS 315 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 1rjw h ILE 316 N 1.79 0.69 0.00 -0.18 6.09 -1.36 -1.24 117.51 123.30 1rjw h ILE 316 Ca 0.00 -0.09 -0.03 0.00 -1.37 0.00 0.00 64.86 63.37 1rjw h ILE 316 Cb 0.75 0.39 -0.00 0.00 0.47 0.00 0.00 36.82 38.43 1rjw h ILE 316 CO 0.10 0.05 -0.15 0.78 -3.07 0.00 0.00 178.15 175.86 1rjw h ASN 317 N 0.27 0.00 0.66 2.19 2.35 -1.85 -0.64 115.58 118.56 1rjw h ASN 317 Ca 0.29 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.85 1rjw h ASN 317 Cb 0.40 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 1rjw h ASN 317 CO -0.36 0.15 -0.86 -0.33 -1.65 0.00 0.00 177.43 174.38 1rjw h GLU 318 N 0.00 0.13 -0.29 0.81 5.08 -1.60 -2.32 114.58 116.40 1rjw h GLU 318 Ca -0.00 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 1rjw h GLU 318 Cb 0.26 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1rjw h GLU 318 CO 0.02 0.91 -0.03 0.28 -1.00 0.00 0.00 179.01 179.19 1rjw h VAL 319 N 0.07 1.27 -0.74 3.13 2.07 -0.23 -1.70 116.25 120.12 1rjw h VAL 319 Ca -0.03 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.51 1rjw h VAL 319 Cb 1.49 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 32.56 1rjw h VAL 319 CO 0.13 0.32 0.48 -0.26 0.02 0.00 0.00 177.57 178.25 1rjw h PHE 320 N 0.30 0.90 -0.15 1.57 0.04 -1.12 0.04 116.94 118.51 1rjw h PHE 320 Ca 0.08 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1rjw h PHE 320 Cb 0.47 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 1rjw h PHE 320 CO 0.04 0.54 0.10 -0.44 -0.60 0.00 0.00 178.31 177.95 1rjw h ASP 321 N 0.95 0.18 0.24 2.17 3.32 -1.23 -0.38 116.42 121.67 1rjw h ASP 321 Ca 0.29 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.29 1rjw h ASP 321 Cb -0.04 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1rjw h ASP 321 CO -0.09 0.13 -0.20 0.03 -1.72 0.00 0.00 179.24 177.39 1rjw h ARG 322 N 0.21 0.00 -0.16 3.56 3.08 -0.96 -2.51 114.38 117.59 1rjw h ARG 322 Ca 0.06 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 1rjw h ARG 322 Cb -0.02 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1rjw h ARG 322 CO -0.01 0.20 -0.08 1.98 -1.07 0.00 0.00 179.97 180.99 1rjw h MET 323 N 0.00 0.34 -0.47 0.04 4.05 0.05 0.30 114.93 119.25 1rjw h MET 323 Ca -0.00 -0.15 0.00 0.00 -0.28 0.00 0.00 59.70 59.27 1rjw h MET 323 Cb 0.37 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 1rjw h MET 323 CO 0.03 0.66 0.29 -0.07 0.23 0.00 0.00 176.91 178.05 1rjw h LEU 324 N 0.02 0.54 -1.15 3.39 3.38 -0.83 -1.33 115.31 119.33 1rjw h LEU 324 Ca 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1rjw h LEU 324 Cb 0.55 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1rjw h LEU 324 CO 0.02 0.41 0.00 0.29 0.09 0.00 0.00 178.44 179.25 1rjw n LYS 325 N -4.45 1.74 -3.35 1.13 5.02 -0.97 -4.92 118.16 112.36 1rjw n LYS 325 Ca 0.04 -1.13 -0.24 0.00 -2.02 0.00 0.00 58.31 54.96 1rjw n LYS 325 Cb 0.07 -1.33 0.03 0.00 -0.02 0.00 0.00 35.03 33.78 1rjw n LYS 325 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rjw n GLY 326 N 1.08 -0.52 2.05 0.72 0.00 -0.50 -4.87 105.19 103.16 1rjw n GLY 326 Ca 0.14 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 1rjw n GLY 326 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rjw n GLN 327 N -4.25 3.05 -4.08 1.61 6.02 0.10 -4.88 117.38 114.95 1rjw n GLN 327 Ca -0.04 -2.90 -0.31 0.00 -0.01 0.00 0.00 57.00 53.74 1rjw n GLN 327 Cb 0.58 -2.16 -0.16 0.00 1.02 0.00 0.00 30.24 29.52 1rjw n GLN 327 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1rjw s ILE 328 N -2.97 1.72 -0.44 5.09 1.01 -1.26 -4.92 121.20 119.44 1rjw s ILE 328 Ca 0.53 -0.73 -0.14 0.00 0.00 0.00 0.00 60.65 60.31 1rjw s ILE 328 Cb 0.43 -1.59 0.05 0.00 0.01 0.00 0.00 42.46 41.37 1rjw s ILE 328 CO 0.12 0.48 0.33 0.20 0.00 0.00 0.00 174.94 176.08 1rjw s ASN 329 N 1.40 6.04 0.00 3.58 0.01 -1.26 -4.92 114.94 119.78 1rjw s ASN 329 Ca 0.04 -1.19 0.00 0.00 -0.71 0.00 0.00 52.86 51.01 1rjw s ASN 329 Cb -0.13 -2.14 0.00 0.00 0.41 0.00 0.00 41.25 39.39 1rjw s ASN 329 CO -0.11 -0.55 0.00 0.61 -1.51 0.00 0.00 177.10 175.54 1rjw n GLY 330 N 5.14 0.21 3.39 0.66 0.00 -1.26 -4.90 105.19 108.42 1rjw n GLY 330 Ca -0.12 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.80 1rjw n GLY 330 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rjw s ARG 331 N 0.00 1.42 -0.10 1.61 1.81 0.17 -4.40 118.95 119.46 1rjw s ARG 331 Ca 0.00 -1.33 -0.01 0.00 -1.72 0.00 0.00 55.73 52.67 1rjw s ARG 331 Cb 0.00 -1.90 -0.03 0.00 -0.45 0.00 0.00 34.95 32.57 1rjw s ARG 331 CO 0.00 0.45 -0.04 0.08 -0.68 0.00 0.00 175.30 175.11 1rjw s VAL 332 N -1.04 3.89 -0.08 3.52 1.01 -1.26 -0.51 120.40 125.93 1rjw s VAL 332 Ca 0.14 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.75 1rjw s VAL 332 Cb -0.10 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.65 1rjw s VAL 332 CO 0.06 0.57 -0.16 -0.69 0.00 0.00 0.00 175.10 174.88 1rjw s VAL 333 N -0.48 1.43 0.10 2.92 1.01 -0.40 -1.05 120.40 123.93 1rjw s VAL 333 Ca 0.08 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 1rjw s VAL 333 Cb -0.12 -1.28 -0.07 0.00 0.00 0.00 0.00 36.38 34.91 1rjw s VAL 333 CO 0.02 0.42 0.57 -0.76 0.00 0.00 0.00 175.10 175.35 1rjw s LEU 334 N 0.56 4.47 -0.15 3.92 1.43 0.59 -1.59 118.68 127.92 1rjw s LEU 334 Ca -0.16 1.22 -0.03 0.00 -1.03 0.00 0.00 54.13 54.13 1rjw s LEU 334 Cb -0.17 -3.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.01 1rjw s LEU 334 CO 0.05 0.22 -0.05 0.28 0.23 0.00 0.00 176.35 177.08 1rjw s THR 335 N -1.22 3.78 -0.86 5.49 -1.32 -0.00 -0.93 115.64 120.58 1rjw s THR 335 Ca 0.32 -0.40 0.24 0.00 -1.21 0.00 0.00 61.69 60.63 1rjw s THR 335 Cb -0.18 -2.64 -0.07 0.00 -1.51 0.00 0.00 72.50 68.09 1rjw s THR 335 CO 0.19 0.50 1.19 0.18 -2.21 0.00 0.00 174.62 174.47 1rjw n LEU 336 N 3.46 0.64 -4.59 9.08 7.99 -1.16 -2.57 117.00 129.85 1rjw n LEU 336 Ca -0.17 -0.09 -0.38 0.00 -0.01 0.00 0.00 56.01 55.36 1rjw n LEU 336 Cb 0.53 -0.15 -0.11 0.00 -0.11 0.00 0.00 43.42 43.58 1rjw n LEU 336 CO 0.32 0.11 -0.17 -0.70 -1.51 0.00 0.00 177.39 175.44 1rjw s GLU 337 N -3.07 3.95 0.21 3.23 2.56 -1.26 -4.97 118.70 119.35 1rjw s GLU 337 Ca 0.08 -0.32 -0.17 0.00 0.00 0.00 0.00 54.97 54.56 1rjw s GLU 337 Cb 0.16 -3.65 0.22 0.00 2.00 0.00 0.00 34.13 32.86 1rjw s GLU 337 CO 0.77 -0.17 1.58 -0.44 -0.56 0.00 0.00 175.26 176.44 1rjw h ASP 338 N 8.34 -1.06 0.00 -1.70 5.19 -1.99 -3.50 116.42 121.70 1rjw h ASP 338 Ca -0.35 0.25 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1rjw h ASP 338 Cb 1.19 0.58 0.00 0.00 0.18 0.00 0.00 39.33 41.28 1rjw h ASP 338 CO 0.55 -0.29 0.00 1.17 -3.12 0.00 0.00 179.24 177.56