#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsk s VAL 3 N 0.00 5.01 0.14 2.46 1.01 -1.26 -4.77 120.40 122.98 3hsk s VAL 3 Ca 0.00 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.95 3hsk s VAL 3 Cb 0.00 -3.36 -0.06 0.00 0.00 0.00 0.00 36.38 32.96 3hsk s VAL 3 CO 0.00 0.30 0.45 -0.54 0.00 0.00 0.00 175.10 175.31 3hsk s LYS 4 N 1.54 3.76 -0.13 2.72 -0.14 -0.19 -4.91 119.74 122.39 3hsk s LYS 4 Ca 0.07 0.17 -0.21 0.00 -1.36 0.00 0.00 55.97 54.63 3hsk s LYS 4 Cb -0.15 -2.88 -0.03 0.00 -1.68 0.00 0.00 37.83 33.09 3hsk s LYS 4 CO 0.07 0.47 0.63 0.15 -0.76 0.00 0.00 175.35 175.92 3hsk s LYS 5 N -2.29 4.33 -0.09 1.68 1.02 -1.26 -1.12 119.74 122.00 3hsk s LYS 5 Ca 0.39 0.70 0.02 0.00 0.02 0.00 0.00 55.97 57.10 3hsk s LYS 5 Cb -0.13 -3.50 -0.02 0.00 -0.52 0.00 0.00 37.83 33.66 3hsk s LYS 5 CO 0.20 -0.05 -0.15 0.00 -0.92 0.00 0.00 175.35 174.43 3hsk s ALA 6 N 1.25 2.57 0.20 5.17 0.00 0.15 -0.30 121.76 130.79 3hsk s ALA 6 Ca 0.32 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 51.40 3hsk s ALA 6 Cb -0.16 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 3hsk s ALA 6 CO 0.13 0.37 0.13 0.20 0.00 0.00 0.00 175.76 176.59 3hsk s GLY 7 N -0.07 1.63 -0.11 0.00 0.00 -0.14 -0.49 107.32 108.13 3hsk s GLY 7 Ca -0.03 -1.32 -0.02 0.00 0.00 0.00 0.00 44.72 43.36 3hsk s GLY 7 CO 0.04 -1.34 0.00 0.14 0.00 0.00 0.00 173.10 171.94 3hsk s VAL 8 N -1.89 0.51 0.03 1.40 1.01 -0.33 -0.63 120.40 120.50 3hsk s VAL 8 Ca 0.31 -0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.03 3hsk s VAL 8 Cb -0.09 -0.76 -0.06 0.00 0.00 0.00 0.00 36.38 35.48 3hsk s VAL 8 CO 0.23 0.13 0.39 -0.76 0.00 0.00 0.00 175.10 175.09 3hsk s LEU 9 N 1.90 4.42 -1.03 3.92 1.43 0.80 -0.00 118.68 130.12 3hsk s LEU 9 Ca 0.03 0.86 -0.05 0.00 -1.03 0.00 0.00 54.13 53.95 3hsk s LEU 9 Cb -0.14 -2.72 0.01 0.00 0.03 0.00 0.00 46.19 43.37 3hsk s LEU 9 CO -0.06 0.27 0.89 0.61 0.23 0.00 0.00 176.35 178.28 3hsk n GLY 10 N 1.45 -0.21 0.21 -3.19 0.00 0.99 -0.90 105.19 103.54 3hsk n GLY 10 Ca -0.12 0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.00 3hsk n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hsk h ALA 11 N 0.77 1.32 0.00 4.61 0.00 -0.93 -2.92 119.26 122.11 3hsk h ALA 11 Ca -0.45 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.15 3hsk h ALA 11 Cb 1.28 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3hsk h ALA 11 CO 0.42 0.35 -0.30 1.79 0.00 0.00 0.00 179.25 181.51 3hsk h THR 12 N 0.00 0.49 -3.72 0.00 1.35 -1.88 -3.02 112.91 106.13 3hsk h THR 12 Ca -0.00 -1.69 -0.44 0.00 -0.55 0.00 0.00 66.41 63.72 3hsk h THR 12 Cb 0.57 2.24 0.17 0.00 -1.73 0.00 0.00 68.15 69.40 3hsk h THR 12 CO 0.04 0.28 0.15 -0.83 -0.25 0.00 0.00 175.52 174.90 3hsk s GLY 13 N -4.36 1.56 0.12 5.82 0.00 -1.10 -4.67 107.32 104.70 3hsk s GLY 13 Ca 0.05 -0.43 -0.26 0.00 0.00 0.00 0.00 44.72 44.09 3hsk s GLY 13 CO 0.71 0.25 1.63 0.23 0.00 0.00 0.00 173.10 175.93 3hsk h SER 14 N -2.13 -0.79 -0.60 1.64 0.87 -1.90 0.15 113.55 110.79 3hsk h SER 14 Ca -0.55 0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.06 3hsk h SER 14 Cb 1.33 0.32 -0.02 0.00 -0.44 0.00 0.00 62.40 63.59 3hsk h SER 14 CO 0.54 -0.33 0.13 0.58 -0.53 0.00 0.00 176.83 177.23 3hsk h VAL 15 N -0.40 1.25 -0.99 2.23 2.07 -1.90 -2.86 116.25 115.66 3hsk h VAL 15 Ca 0.07 -0.93 0.08 0.00 0.82 0.00 0.00 66.70 66.74 3hsk h VAL 15 Cb 0.49 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 3hsk h VAL 15 CO -0.24 0.35 0.63 1.23 0.02 0.00 0.00 177.57 179.56 3hsk h GLY 16 N 0.88 1.54 0.97 2.17 0.00 -1.58 -1.31 103.07 105.74 3hsk h GLY 16 Ca 0.19 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3hsk h GLY 16 CO 0.00 0.27 -0.01 1.46 0.00 0.00 0.00 176.54 178.27 3hsk h GLN 17 N 1.10 -0.00 -0.38 4.80 4.20 -0.51 -2.52 115.11 121.79 3hsk h GLN 17 Ca 0.45 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.11 3hsk h GLN 17 Cb 0.27 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 3hsk h GLN 17 CO -0.20 -0.00 0.04 0.00 -0.67 0.00 0.00 178.83 178.00 3hsk h ARG 18 N -0.00 0.58 0.21 1.46 3.08 -1.28 0.16 114.38 118.58 3hsk h ARG 18 Ca 0.01 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 59.95 3hsk h ARG 18 Cb 0.01 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3hsk h ARG 18 CO -0.02 0.57 -0.26 0.74 -1.07 0.00 0.00 179.97 179.94 3hsk h PHE 19 N 0.56 -0.69 -0.73 3.04 0.04 -1.09 -1.43 116.94 116.64 3hsk h PHE 19 Ca 0.12 0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.84 3hsk h PHE 19 Cb 0.29 0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.68 3hsk h PHE 19 CO 0.01 -0.37 0.21 0.82 -0.60 0.00 0.00 178.31 178.38 3hsk h ILE 20 N -0.52 1.26 -0.41 -0.55 2.04 -1.07 -0.72 117.51 117.55 3hsk h ILE 20 Ca 0.00 -0.94 0.04 0.00 1.00 0.00 0.00 64.86 64.97 3hsk h ILE 20 Cb 0.50 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 3hsk h ILE 20 CO -0.09 0.37 0.17 0.25 0.00 0.00 0.00 178.15 178.86 3hsk h LEU 21 N 1.09 0.23 0.46 1.44 5.85 -0.90 -1.78 115.31 121.69 3hsk h LEU 21 Ca 0.23 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 3hsk h LEU 21 Cb 0.34 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 3hsk h LEU 21 CO -0.00 0.17 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.98 3hsk h LEU 22 N 0.36 -0.52 -2.42 2.25 3.38 -0.97 -3.17 115.31 114.22 3hsk h LEU 22 Ca 0.18 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hsk h LEU 22 Cb 0.13 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3hsk h LEU 22 CO -0.16 -0.16 0.19 -0.07 0.09 0.00 0.00 178.44 178.34 3hsk h LEU 23 N -0.94 0.00 -1.27 1.67 3.38 -1.12 -0.35 115.31 116.68 3hsk h LEU 23 Ca -0.06 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 3hsk h LEU 23 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3hsk h LEU 23 CO 0.10 0.00 -0.35 -1.28 0.09 0.00 0.00 178.44 177.00 3hsk h SER 24 N 0.00 0.00 -0.00 -0.43 0.87 -1.29 -2.85 113.55 109.86 3hsk h SER 24 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3hsk h SER 24 Cb 0.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 3hsk h SER 24 CO -0.00 0.35 -0.41 0.29 -0.53 0.00 0.00 176.83 176.53 3hsk n LYS 25 N -3.93 1.31 -2.90 2.24 5.02 -0.15 -4.95 118.16 114.79 3hsk n LYS 25 Ca -0.02 -1.07 -0.41 0.00 -2.02 0.00 0.00 58.31 54.80 3hsk n LYS 25 Cb 0.41 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.90 3hsk n LYS 25 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3hsk s HIS 26 N -2.43 3.46 -0.39 2.13 2.46 -1.08 -4.94 115.29 114.51 3hsk s HIS 26 Ca 0.20 1.28 0.27 0.00 0.47 0.00 0.00 55.06 57.28 3hsk s HIS 26 Cb 0.18 -2.99 0.97 0.00 -0.13 0.00 0.00 32.58 30.61 3hsk s HIS 26 CO 0.54 -0.18 1.78 -1.35 -2.47 0.00 0.00 174.74 173.07 3hsk h PRO 27 N 7.21 0.00 0.00 2.88 0.11 -1.92 -3.26 132.00 137.02 3hsk h PRO 27 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3hsk h PRO 27 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3hsk h PRO 27 CO 0.82 0.00 -1.57 -1.91 -0.21 0.00 0.00 178.00 175.13 3hsk n GLU 28 N -2.56 0.42 -4.35 1.05 2.13 -1.26 -4.80 120.64 111.27 3hsk n GLU 28 Ca 0.03 -0.11 -0.28 0.00 0.66 0.00 0.00 57.16 57.46 3hsk n GLU 28 Cb 0.33 -1.53 -0.11 0.00 0.27 0.00 0.00 31.44 30.39 3hsk n GLU 28 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 3hsk s PHE 29 N -3.33 2.44 -0.15 4.31 0.08 -1.23 -1.02 117.98 119.08 3hsk s PHE 29 Ca -0.02 -0.31 0.00 0.00 0.12 0.00 0.00 56.93 56.72 3hsk s PHE 29 Cb 0.14 -1.26 0.03 0.00 -0.57 0.00 0.00 43.02 41.37 3hsk s PHE 29 CO 0.88 0.43 -0.11 -2.00 -0.10 0.00 0.00 175.22 174.32 3hsk s GLU 30 N -2.38 1.94 -0.33 0.44 2.12 -0.27 -4.82 118.70 115.39 3hsk s GLU 30 Ca 0.19 -0.52 -0.28 0.00 0.36 0.00 0.00 54.97 54.72 3hsk s GLU 30 Cb -0.09 -2.00 -0.02 0.00 0.26 0.00 0.00 34.13 32.28 3hsk s GLU 30 CO 0.10 -0.30 1.75 0.42 -0.54 0.00 0.00 175.26 176.69 3hsk s ILE 31 N 1.55 3.53 -0.10 -3.70 1.01 -1.26 0.33 121.20 122.56 3hsk s ILE 31 Ca 0.03 0.54 0.04 0.00 0.00 0.00 0.00 60.65 61.26 3hsk s ILE 31 Cb -0.14 -3.70 -0.09 0.00 0.01 0.00 0.00 42.46 38.55 3hsk s ILE 31 CO -0.09 -0.43 -0.04 1.57 0.00 0.00 0.00 174.94 175.95 3hsk n HIS 32 N 10.01 0.00 -3.82 3.97 -0.00 0.35 -4.91 115.22 120.83 3hsk n HIS 32 Ca 0.22 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.27 3hsk n HIS 32 Cb 0.47 -0.42 -0.13 0.00 -0.12 0.00 0.00 29.99 29.78 3hsk n HIS 32 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3hsk s ALA 33 N -2.21 -0.23 -0.03 1.57 0.00 -1.18 -4.94 121.76 114.74 3hsk s ALA 33 Ca -0.10 0.35 0.06 0.00 0.00 0.00 0.00 51.96 52.28 3hsk s ALA 33 Cb 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 3hsk s ALA 33 CO 0.30 -0.07 -0.21 -0.51 0.00 0.00 0.00 175.76 175.26 3hsk s LEU 34 N 0.30 2.02 -0.03 0.00 1.43 -1.26 -1.19 118.68 119.96 3hsk s LEU 34 Ca -0.02 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 52.71 3hsk s LEU 34 Cb -0.03 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 45.06 3hsk s LEU 34 CO -0.01 0.24 -0.12 -0.83 0.23 0.00 0.00 176.35 175.86 3hsk s GLY 35 N -0.35 0.65 0.00 -3.19 0.00 1.00 -0.27 107.32 105.16 3hsk s GLY 35 Ca 0.04 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.31 3hsk s GLY 35 CO 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 173.10 172.91 3hsk n ALA 36 N 3.21 0.00 -1.20 3.20 0.00 -0.76 -0.01 120.51 124.95 3hsk n ALA 36 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.16 3hsk n ALA 36 Cb 0.54 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.11 3hsk n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hsk n SER 37 N -1.44 -0.93 0.05 0.00 3.41 -1.26 -3.49 113.62 109.96 3hsk n SER 37 Ca 0.00 -0.99 0.01 0.00 -0.26 0.00 0.00 58.87 57.63 3hsk n SER 37 Cb 0.00 -0.50 0.34 0.00 -0.26 0.00 0.00 64.21 63.79 3hsk n SER 37 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3hsk h SER 38 N -1.48 0.37 0.43 4.04 0.02 -1.95 -0.55 113.55 114.43 3hsk h SER 38 Ca -0.21 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3hsk h SER 38 Cb 0.61 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3hsk h SER 38 CO 0.14 0.47 0.00 0.03 -1.14 0.00 0.00 176.83 176.33 3hsk h ARG 39 N 0.38 0.00 0.00 3.45 -0.00 -2.02 -3.19 114.38 113.00 3hsk h ARG 39 Ca 0.08 0.00 -0.15 0.00 -0.50 0.00 0.00 59.98 59.41 3hsk h ARG 39 Cb 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.28 3hsk h ARG 39 CO 0.01 0.00 -1.55 0.43 0.00 0.00 0.00 179.97 178.86 3hsk n SER 40 N -2.74 3.03 -4.68 7.04 7.64 -0.93 -4.97 113.62 118.00 3hsk n SER 40 Ca -0.01 -0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.42 3hsk n SER 40 Cb 0.16 0.68 -0.03 0.00 -1.01 0.00 0.00 64.21 64.01 3hsk n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hsk n ALA 41 N -2.31 1.39 0.00 -0.43 0.00 -0.26 -1.76 120.51 117.14 3hsk n ALA 41 Ca -0.13 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3hsk n ALA 41 Cb 0.76 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.88 3hsk n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hsk n GLY 42 N 2.65 3.21 3.83 0.00 0.00 -0.07 -4.99 105.19 109.82 3hsk n GLY 42 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 3hsk n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hsk s LYS 43 N -0.49 4.14 0.48 1.61 1.02 -0.72 -4.79 119.74 120.99 3hsk s LYS 43 Ca 0.00 0.99 -0.24 0.00 0.02 0.00 0.00 55.97 56.74 3hsk s LYS 43 Cb 0.00 -2.23 -0.07 0.00 -0.52 0.00 0.00 37.83 35.01 3hsk s LYS 43 CO 0.00 -0.02 1.34 0.15 -0.92 0.00 0.00 175.35 175.90 3hsk s LYS 44 N -3.27 3.52 0.29 1.68 1.02 -1.26 -0.44 119.74 121.28 3hsk s LYS 44 Ca 0.60 2.21 0.04 0.00 0.02 0.00 0.00 55.97 58.83 3hsk s LYS 44 Cb -0.09 -2.48 0.67 0.00 -0.52 0.00 0.00 37.83 35.41 3hsk s LYS 44 CO 0.17 -0.88 1.77 -0.92 -0.92 0.00 0.00 175.35 174.57 3hsk h TYR 45 N 1.99 0.98 0.00 3.18 3.20 -0.95 -0.21 116.97 125.17 3hsk h TYR 45 Ca -0.50 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.39 3hsk h TYR 45 Cb 1.27 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 39.25 3hsk h TYR 45 CO 0.49 0.23 -0.06 1.57 -1.64 0.00 0.00 178.16 178.75 3hsk h LYS 46 N 0.73 0.00 0.00 1.82 2.10 -1.69 -1.58 116.57 117.96 3hsk h LYS 46 Ca 0.54 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 59.00 3hsk h LYS 46 Cb 0.81 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.11 3hsk h LYS 46 CO -0.37 0.06 -1.46 -0.25 -2.00 0.00 0.00 179.45 175.43 3hsk n ASP 47 N -4.22 0.87 0.08 7.07 8.00 -0.18 -4.19 116.55 123.99 3hsk n ASP 47 Ca -0.03 0.39 -0.09 0.00 0.71 0.00 0.00 54.79 55.77 3hsk n ASP 47 Cb 0.14 0.11 -0.05 0.00 -0.02 0.00 0.00 41.12 41.30 3hsk n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hsk h ALA 48 N 1.35 0.41 -3.09 2.24 0.00 -0.87 -3.45 119.26 115.85 3hsk h ALA 48 Ca -0.18 -0.79 -0.65 0.00 0.00 0.00 0.00 54.91 53.29 3hsk h ALA 48 Cb 1.66 -0.08 -0.23 0.00 0.00 0.00 0.00 17.79 19.14 3hsk h ALA 48 CO 0.05 0.99 -0.66 0.00 0.00 0.00 0.00 179.25 179.64 3hsk s ALA 49 N -3.01 3.04 -0.91 0.00 0.00 -0.63 -4.96 121.76 115.30 3hsk s ALA 49 Ca -0.02 -1.02 -0.24 0.00 0.00 0.00 0.00 51.96 50.67 3hsk s ALA 49 Cb 0.10 -1.82 0.02 0.00 0.00 0.00 0.00 23.12 21.42 3hsk s ALA 49 CO 0.84 -0.22 1.55 -1.54 0.00 0.00 0.00 175.76 176.39 3hsk s SER 50 N 1.12 6.06 0.02 0.00 1.04 -1.26 -4.84 113.70 115.85 3hsk s SER 50 Ca 0.03 -0.97 -0.30 0.00 0.48 0.00 0.00 55.95 55.19 3hsk s SER 50 Cb -0.14 -2.56 -0.08 0.00 0.10 0.00 0.00 66.02 63.34 3hsk s SER 50 CO 0.02 -1.89 1.77 0.86 0.98 0.00 0.00 173.24 174.97 3hsk s TRP 51 N 6.48 1.89 -0.20 5.02 -0.11 -1.26 -4.91 118.94 125.85 3hsk s TRP 51 Ca 0.50 0.00 0.13 0.00 1.22 0.00 0.00 56.10 57.96 3hsk s TRP 51 Cb -0.04 -4.06 0.40 0.00 -1.50 0.00 0.00 33.47 28.28 3hsk s TRP 51 CO -0.01 -4.49 1.25 0.36 -4.62 0.00 0.00 176.95 169.44 3hsk n LYS 52 N 6.71 1.62 -4.14 5.86 -0.00 -1.26 -5.01 118.16 121.94 3hsk n LYS 52 Ca 0.18 -3.06 -0.36 0.00 -0.00 0.00 0.00 58.31 55.07 3hsk n LYS 52 Cb 0.41 -1.63 -0.08 0.00 -0.00 0.00 0.00 35.03 33.74 3hsk n LYS 52 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 3hsk s GLN 53 N -3.12 3.19 0.09 -1.58 -1.52 -1.26 -5.00 119.66 110.47 3hsk s GLN 53 Ca 0.38 -0.29 0.15 0.00 -1.95 0.00 0.00 55.36 53.65 3hsk s GLN 53 Cb 0.35 -2.97 0.66 0.00 -0.22 0.00 0.00 33.01 30.83 3hsk s GLN 53 CO -0.02 0.73 1.48 0.25 -0.25 0.00 0.00 175.29 177.48 3hsk n THR 54 N 2.00 1.10 -4.30 -0.19 -2.24 -1.26 -4.60 114.28 104.80 3hsk n THR 54 Ca -0.19 0.32 -0.35 0.00 -2.27 0.00 0.00 64.05 61.56 3hsk n THR 54 Cb 0.54 -1.17 -0.09 0.00 -2.10 0.00 0.00 70.33 67.51 3hsk n THR 54 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3hsk s GLU 55 N -3.12 3.03 0.56 -0.78 2.12 -1.26 -5.12 118.70 114.12 3hsk s GLU 55 Ca 0.05 -0.39 -0.08 0.00 0.36 0.00 0.00 54.97 54.90 3hsk s GLU 55 Cb 0.08 -2.84 -0.04 0.00 0.26 0.00 0.00 34.13 31.59 3hsk s GLU 55 CO 0.25 0.71 0.92 0.95 -0.54 0.00 0.00 175.26 177.55 3hsk s THR 56 N -0.93 4.79 -0.09 -1.70 -4.23 -1.26 -5.04 115.64 107.17 3hsk s THR 56 Ca 0.14 0.57 -0.03 0.00 -1.18 0.00 0.00 61.69 61.20 3hsk s THR 56 Cb -0.11 -3.86 -0.03 0.00 1.34 0.00 0.00 72.50 69.83 3hsk s THR 56 CO 0.03 -1.01 0.03 -0.22 -0.54 0.00 0.00 174.62 172.91 3hsk s LEU 57 N -4.99 3.73 0.83 4.79 2.96 -1.26 -5.10 118.68 119.64 3hsk s LEU 57 Ca 0.52 0.20 -0.14 0.00 -0.22 0.00 0.00 54.13 54.49 3hsk s LEU 57 Cb -0.11 -1.86 0.04 0.00 0.50 0.00 0.00 46.19 44.76 3hsk s LEU 57 CO 0.50 0.38 0.76 -0.81 -1.32 0.00 0.00 176.35 175.87 3hsk n PRO 58 N 2.11 0.04 -0.14 0.98 -0.04 -1.26 -4.79 135.00 131.89 3hsk n PRO 58 Ca -0.19 0.07 -0.08 0.00 -0.04 0.00 0.00 63.50 63.27 3hsk n PRO 58 Cb 0.54 -2.08 0.08 0.00 -0.04 0.00 0.00 33.50 32.00 3hsk n PRO 58 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3hsk h GLU 59 N -1.00 0.90 -0.87 0.54 4.81 -1.98 -1.94 114.58 115.03 3hsk h GLU 59 Ca -0.45 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 58.45 3hsk h GLU 59 Cb 1.31 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.58 3hsk h GLU 59 CO 0.41 0.95 0.46 0.00 -0.73 0.00 0.00 179.01 180.11 3hsk h THR 60 N 0.80 1.26 0.00 0.32 1.03 -2.00 -1.14 112.91 113.19 3hsk h THR 60 Ca 0.13 -0.66 -0.12 0.00 -0.01 0.00 0.00 66.41 65.75 3hsk h THR 60 Cb 0.62 0.09 -0.02 0.00 -1.07 0.00 0.00 68.15 67.78 3hsk h THR 60 CO 0.04 0.30 -0.58 -0.33 -0.01 0.00 0.00 175.52 174.94 3hsk h GLU 61 N 1.23 0.00 0.00 0.00 3.07 -1.91 -3.27 114.58 113.69 3hsk h GLU 61 Ca 0.31 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.08 3hsk h GLU 61 Cb 0.05 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 3hsk h GLU 61 CO -0.05 0.58 -0.41 0.37 -1.40 0.00 0.00 179.01 178.10 3hsk h GLN 62 N 0.00 0.00 -0.01 2.33 4.15 -0.42 -3.09 115.11 118.07 3hsk h GLN 62 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3hsk h GLN 62 Cb 1.16 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.85 3hsk h GLN 62 CO 0.08 0.41 -0.37 -0.25 -1.93 0.00 0.00 178.83 176.77 3hsk n ASP 63 N -4.00 1.27 -4.73 -0.69 8.00 -0.69 -1.94 116.55 113.78 3hsk n ASP 63 Ca -0.02 -1.03 -0.42 0.00 0.71 0.00 0.00 54.79 54.04 3hsk n ASP 63 Cb 0.45 0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 41.79 3hsk n ASP 63 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3hsk s ILE 64 N -2.55 3.28 -0.32 0.53 2.07 -1.17 -4.63 121.20 118.41 3hsk s ILE 64 Ca 0.21 1.00 -0.27 0.00 -1.41 0.00 0.00 60.65 60.18 3hsk s ILE 64 Cb 0.19 -3.64 0.01 0.00 0.13 0.00 0.00 42.46 39.15 3hsk s ILE 64 CO 0.56 0.12 0.99 -0.69 -1.91 0.00 0.00 174.94 174.01 3hsk s VAL 65 N 0.46 4.59 0.24 4.00 1.01 -1.26 -0.83 120.40 128.62 3hsk s VAL 65 Ca 0.59 1.54 -0.30 0.00 0.00 0.00 0.00 61.98 63.81 3hsk s VAL 65 Cb -0.36 -4.34 -0.10 0.00 0.00 0.00 0.00 36.38 31.58 3hsk s VAL 65 CO 0.35 -0.43 1.45 -0.69 0.00 0.00 0.00 175.10 175.79 3hsk s VAL 66 N 3.45 2.64 0.40 2.92 1.01 0.41 -4.68 120.40 126.55 3hsk s VAL 66 Ca 0.41 0.53 0.08 0.00 0.00 0.00 0.00 61.98 63.00 3hsk s VAL 66 Cb -0.13 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 3hsk s VAL 66 CO 0.15 0.08 0.25 -1.58 0.00 0.00 0.00 175.10 174.00 3hsk s GLN 67 N -0.27 2.37 0.45 2.72 0.74 0.63 -0.89 119.66 125.41 3hsk s GLN 67 Ca 0.60 -1.67 -0.21 0.00 0.05 0.00 0.00 55.36 54.13 3hsk s GLN 67 Cb -0.42 -2.17 -0.10 0.00 1.10 0.00 0.00 33.01 31.43 3hsk s GLN 67 CO 0.43 -0.10 1.00 -2.00 -0.55 0.00 0.00 175.29 174.07 3hsk s GLU 68 N -3.98 4.04 -1.40 1.67 2.12 -1.26 -1.83 118.70 118.06 3hsk s GLU 68 Ca 0.43 1.28 -0.15 0.00 0.36 0.00 0.00 54.97 56.90 3hsk s GLU 68 Cb 0.00 -2.21 0.02 0.00 0.26 0.00 0.00 34.13 32.20 3hsk s GLU 68 CO 0.25 -0.21 2.22 0.00 -0.54 0.00 0.00 175.26 176.97 3hsk s LYS 70 N 3.34 0.88 -1.21 0.00 1.02 -1.26 -4.95 119.74 117.56 3hsk s LYS 70 Ca 0.48 -0.53 -0.21 0.00 0.02 0.00 0.00 55.97 55.74 3hsk s LYS 70 Cb 0.14 -0.85 -0.04 0.00 -0.52 0.00 0.00 37.83 36.56 3hsk s LYS 70 CO -0.07 0.22 1.88 -0.35 -0.92 0.00 0.00 175.35 176.11 3hsk n PRO 71 N 2.45 2.13 -3.75 -1.68 -0.04 -1.26 -4.76 135.00 128.09 3hsk n PRO 71 Ca -0.16 -2.69 -0.13 0.00 -0.04 0.00 0.00 63.50 60.48 3hsk n PRO 71 Cb 0.56 -3.60 -0.10 0.00 -0.04 0.00 0.00 33.50 30.32 3hsk n PRO 71 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3hsk s GLU 72 N 5.57 0.48 5.80 0.54 2.12 -1.26 -4.64 118.70 127.31 3hsk s GLU 72 Ca 0.63 0.32 0.00 0.00 0.36 0.00 0.00 54.97 56.28 3hsk s GLU 72 Cb 0.02 0.23 0.00 0.00 0.26 0.00 0.00 34.13 34.64 3hsk s GLU 72 CO 0.11 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.16 3hsk n GLY 73 N 2.47 1.21 0.21 -1.50 0.00 -1.26 -2.07 105.19 104.25 3hsk n GLY 73 Ca -0.15 0.42 -0.04 0.00 0.00 0.00 0.00 46.02 46.24 3hsk n GLY 73 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3hsk h ASN 74 N 0.00 0.38 -0.41 1.61 2.35 -1.94 -3.14 115.58 114.43 3hsk h ASN 74 Ca 0.00 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.52 3hsk h ASN 74 Cb 0.00 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 3hsk h ASN 74 CO 0.00 0.76 0.05 -0.26 -1.65 0.00 0.00 177.43 176.33 3hsk h PHE 75 N 0.30 0.81 0.00 1.19 0.04 -1.71 -1.44 116.94 116.13 3hsk h PHE 75 Ca 0.03 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.70 3hsk h PHE 75 Cb 0.87 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.79 3hsk h PHE 75 CO 0.02 0.72 0.00 1.28 -0.60 0.00 0.00 178.31 179.74 3hsk n LEU 76 N -4.25 0.30 -0.07 1.54 4.77 -1.19 -2.48 117.00 115.63 3hsk n LEU 76 Ca 0.03 0.58 0.11 0.00 -0.03 0.00 0.00 56.01 56.70 3hsk n LEU 76 Cb 0.26 -0.56 0.03 0.00 -2.33 0.00 0.00 43.42 40.83 3hsk n LEU 76 CO 0.41 -0.46 0.18 -0.62 -1.33 0.00 0.00 177.39 175.57 3hsk n GLU 77 N -1.84 0.19 -2.70 3.23 1.02 -0.55 -4.94 120.64 115.05 3hsk n GLU 77 Ca 0.02 -0.15 -0.41 0.00 -0.02 0.00 0.00 57.16 56.60 3hsk n GLU 77 Cb 0.16 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.04 3hsk n GLU 77 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hsk h ASP 79 N 5.97 0.00 -3.73 0.00 3.32 -0.99 -3.45 116.42 117.54 3hsk h ASP 79 Ca -0.42 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.50 3hsk h ASP 79 Cb 1.21 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.51 3hsk h ASP 79 CO 0.73 0.39 -0.29 0.54 -1.72 0.00 0.00 179.24 178.89 3hsk s VAL 80 N -3.50 -0.01 -0.27 -1.35 0.11 -1.09 -4.45 120.40 109.85 3hsk s VAL 80 Ca 0.01 0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.10 3hsk s VAL 80 Cb 0.10 -0.53 0.07 0.00 -1.53 0.00 0.00 36.38 34.49 3hsk s VAL 80 CO 0.69 0.01 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.76 3hsk s VAL 81 N 0.47 1.66 0.44 2.04 1.01 0.12 -0.96 120.40 125.18 3hsk s VAL 81 Ca -0.02 -1.51 -0.21 0.00 0.00 0.00 0.00 61.98 60.24 3hsk s VAL 81 Cb -0.04 -2.00 -0.10 0.00 0.00 0.00 0.00 36.38 34.24 3hsk s VAL 81 CO -0.02 -0.27 0.98 -0.36 0.00 0.00 0.00 175.10 175.43 3hsk s PHE 82 N 1.30 3.22 -0.05 5.22 0.08 0.20 -1.45 117.98 126.49 3hsk s PHE 82 Ca -0.01 1.61 -0.02 0.00 0.12 0.00 0.00 56.93 58.63 3hsk s PHE 82 Cb -0.19 -2.94 0.03 0.00 -0.57 0.00 0.00 43.02 39.35 3hsk s PHE 82 CO -0.09 -0.36 0.03 0.45 -0.10 0.00 0.00 175.22 175.15 3hsk s SER 83 N -2.06 1.31 -0.28 1.36 0.15 -0.37 -0.14 113.70 113.66 3hsk s SER 83 Ca 0.63 0.01 0.09 0.00 0.70 0.00 0.00 55.95 57.38 3hsk s SER 83 Cb -0.12 -0.27 0.46 0.00 -1.71 0.00 0.00 66.02 64.38 3hsk s SER 83 CO 0.16 -0.22 1.34 0.61 1.20 0.00 0.00 173.24 176.33 3hsk n GLY 84 N 5.22 5.40 3.76 9.45 0.00 -0.08 -0.19 105.19 128.75 3hsk n GLY 84 Ca -0.05 -1.65 -0.38 0.00 0.00 0.00 0.00 46.02 43.94 3hsk n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hsk s LEU 85 N -3.36 3.98 0.35 0.99 1.43 -1.24 -4.66 118.68 116.17 3hsk s LEU 85 Ca 0.45 2.57 -0.29 0.00 -1.03 0.00 0.00 54.13 55.83 3hsk s LEU 85 Cb 0.40 -4.20 -0.11 0.00 0.03 0.00 0.00 46.19 42.31 3hsk s LEU 85 CO -0.02 -1.19 1.53 -0.67 0.23 0.00 0.00 176.35 176.23 3hsk n ASP 86 N -0.62 3.85 0.30 2.29 2.03 -1.26 -4.57 116.55 118.58 3hsk n ASP 86 Ca 0.08 1.20 0.17 0.00 0.52 0.00 0.00 54.79 56.76 3hsk n ASP 86 Cb 0.46 -1.62 0.96 0.00 -0.72 0.00 0.00 41.12 40.20 3hsk n ASP 86 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hsk h ALA 87 N 3.60 1.29 0.00 -1.67 0.00 -1.98 -0.23 119.26 120.27 3hsk h ALA 87 Ca -0.50 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 3hsk h ALA 87 Cb 1.23 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3hsk h ALA 87 CO 0.69 0.03 -0.18 -0.44 0.00 0.00 0.00 179.25 179.36 3hsk h ASP 88 N 0.00 0.00 0.00 0.00 3.32 -2.04 -3.29 116.42 114.41 3hsk h ASP 88 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hsk h ASP 88 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3hsk h ASP 88 CO 0.00 0.18 -0.93 1.33 -1.72 0.00 0.00 179.24 178.10 3hsk n VAL 89 N -3.89 0.00 -0.25 -1.35 0.24 -0.80 -4.77 118.33 107.51 3hsk n VAL 89 Ca -0.02 -0.06 -0.02 0.00 -2.04 0.00 0.00 64.34 62.21 3hsk n VAL 89 Cb 0.27 0.54 0.18 0.00 -1.47 0.00 0.00 33.84 33.36 3hsk n VAL 89 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hsk h ALA 90 N 0.05 1.31 -0.09 2.33 0.00 -1.13 -2.81 119.26 118.93 3hsk h ALA 90 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3hsk h ALA 90 Cb 0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3hsk h ALA 90 CO 0.00 0.57 -0.09 0.78 0.00 0.00 0.00 179.25 180.52 3hsk h GLY 91 N 1.11 -2.01 0.99 0.00 0.00 -1.85 -0.73 103.07 100.58 3hsk h GLY 91 Ca 0.28 0.91 -0.00 0.00 0.00 0.00 0.00 47.33 48.52 3hsk h GLY 91 CO -0.05 -0.72 0.27 -0.55 0.00 0.00 0.00 176.54 175.49 3hsk h ASP 92 N -0.04 0.53 0.18 0.19 5.19 -1.90 -3.02 116.42 117.55 3hsk h ASP 92 Ca 0.01 -0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 3hsk h ASP 92 Cb 0.08 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.46 3hsk h ASP 92 CO -0.11 0.43 -0.09 0.40 -3.12 0.00 0.00 179.24 176.76 3hsk h ILE 93 N 0.59 0.92 -0.30 0.35 2.04 -1.37 -2.51 117.51 117.22 3hsk h ILE 93 Ca 0.16 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 3hsk h ILE 93 Cb -0.00 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 3hsk h ILE 93 CO -0.03 0.12 0.10 -0.33 0.00 0.00 0.00 178.15 178.01 3hsk h GLU 94 N -0.50 0.42 -0.28 2.37 5.08 -1.21 -1.48 114.58 118.99 3hsk h GLU 94 Ca -0.02 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3hsk h GLU 94 Cb 0.38 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3hsk h GLU 94 CO 0.04 0.38 0.08 -0.22 -1.00 0.00 0.00 179.01 178.29 3hsk h LYS 95 N 0.42 0.43 -0.13 2.33 3.64 -1.44 -0.84 116.57 120.97 3hsk h LYS 95 Ca 0.10 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 3hsk h LYS 95 Cb 0.13 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3hsk h LYS 95 CO -0.01 0.50 -0.23 0.66 -2.27 0.00 0.00 179.45 178.10 3hsk h SER 96 N 0.28 0.23 -0.21 4.20 4.64 -1.00 0.14 113.55 121.84 3hsk h SER 96 Ca 0.09 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3hsk h SER 96 Cb 0.25 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 3hsk h SER 96 CO -0.00 0.47 0.08 -0.26 -0.87 0.00 0.00 176.83 176.26 3hsk h PHE 97 N 0.21 0.31 -0.28 4.77 -1.00 -1.02 -0.87 116.94 119.07 3hsk h PHE 97 Ca 0.04 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.80 3hsk h PHE 97 Cb 0.54 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.99 3hsk h PHE 97 CO 0.01 0.35 0.18 0.28 -1.61 0.00 0.00 178.31 177.53 3hsk h VAL 98 N 0.18 1.08 -0.72 -0.55 2.07 -0.81 -2.31 116.25 115.18 3hsk h VAL 98 Ca 0.07 -0.14 0.13 0.00 0.82 0.00 0.00 66.70 67.58 3hsk h VAL 98 Cb 0.17 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 3hsk h VAL 98 CO -0.01 0.07 0.48 -0.33 0.02 0.00 0.00 177.57 177.81 3hsk h GLU 99 N 0.38 0.43 0.00 1.57 5.08 -0.61 0.16 114.58 121.59 3hsk h GLU 99 Ca 0.10 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3hsk h GLU 99 Cb -0.04 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.11 3hsk h GLU 99 CO -0.02 0.29 0.00 0.00 -1.00 0.00 0.00 179.01 178.27 3hsk n ALA 100 N -2.51 2.53 -0.67 3.43 0.00 -0.34 -4.87 120.51 118.08 3hsk n ALA 100 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hsk n ALA 100 Cb 0.47 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3hsk n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hsk n GLY 101 N 0.71 0.60 3.94 0.00 0.00 0.04 -5.04 105.19 105.44 3hsk n GLY 101 Ca 0.16 -0.72 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 3hsk n GLY 101 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hsk s LEU 102 N 0.00 4.19 -0.41 0.99 1.43 -0.91 -4.01 118.68 119.96 3hsk s LEU 102 Ca 0.00 0.31 -0.18 0.00 -1.03 0.00 0.00 54.13 53.23 3hsk s LEU 102 Cb 0.00 -3.11 0.02 0.00 0.03 0.00 0.00 46.19 43.12 3hsk s LEU 102 CO 0.00 -0.13 0.49 0.00 0.23 0.00 0.00 176.35 176.94 3hsk s ALA 103 N -2.04 3.42 -0.16 4.21 0.00 -1.26 -1.78 121.76 124.15 3hsk s ALA 103 Ca 0.37 -1.36 -0.04 0.00 0.00 0.00 0.00 51.96 50.93 3hsk s ALA 103 Cb -0.10 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 3hsk s ALA 103 CO 0.31 -1.56 -0.04 0.08 0.00 0.00 0.00 175.76 174.56 3hsk s VAL 104 N 2.32 3.82 -0.31 0.00 1.01 -0.49 0.16 120.40 126.92 3hsk s VAL 104 Ca 0.15 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.77 3hsk s VAL 104 Cb -0.16 -2.68 0.07 0.00 0.00 0.00 0.00 36.38 33.61 3hsk s VAL 104 CO 0.15 0.48 -0.00 -0.69 0.00 0.00 0.00 175.10 175.04 3hsk s VAL 105 N 0.51 2.58 -0.05 2.92 1.01 -0.53 -0.71 120.40 126.13 3hsk s VAL 105 Ca -0.03 -1.76 0.05 0.00 0.00 0.00 0.00 61.98 60.24 3hsk s VAL 105 Cb -0.14 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 3hsk s VAL 105 CO 0.03 -0.25 -0.22 -0.55 0.00 0.00 0.00 175.10 174.11 3hsk s SER 106 N 1.19 3.38 0.00 3.32 0.15 -0.30 -1.24 113.70 120.20 3hsk s SER 106 Ca -0.02 -0.41 0.26 0.00 0.70 0.00 0.00 55.95 56.48 3hsk s SER 106 Cb -0.20 -0.81 0.62 0.00 -1.71 0.00 0.00 66.02 63.92 3hsk s SER 106 CO -0.04 0.28 1.48 -3.20 1.20 0.00 0.00 173.24 172.95 3hsk n ASN 107 N 2.74 0.96 -4.77 5.45 5.15 0.73 0.06 115.26 125.59 3hsk n ASN 107 Ca -0.17 -0.78 -0.40 0.00 -0.60 0.00 0.00 54.58 52.63 3hsk n ASN 107 Cb 0.52 0.21 -0.01 0.00 -0.53 0.00 0.00 39.78 39.97 3hsk n ASN 107 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hsk s ALA 108 N -2.63 3.29 -0.38 5.20 0.00 -1.25 -4.86 121.76 121.13 3hsk s ALA 108 Ca 0.20 1.20 0.27 0.00 0.00 0.00 0.00 51.96 53.63 3hsk s ALA 108 Cb 0.19 -3.47 0.90 0.00 0.00 0.00 0.00 23.12 20.74 3hsk s ALA 108 CO 0.58 -0.75 1.78 1.57 0.00 0.00 0.00 175.76 178.94 3hsk h LYS 109 N 2.81 0.00 -0.62 0.00 2.10 -1.91 -3.39 116.57 115.57 3hsk h LYS 109 Ca -0.49 0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.27 3hsk h LYS 109 Cb 1.24 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 32.45 3hsk h LYS 109 CO 0.63 0.00 -0.29 -0.91 -2.00 0.00 0.00 179.45 176.88 3hsk h ASN 110 N 0.00 -1.02 -0.51 7.07 2.35 -1.92 -2.51 115.58 119.04 3hsk h ASN 110 Ca 0.00 0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3hsk h ASN 110 Cb 0.63 0.54 0.00 0.00 0.05 0.00 0.00 38.32 39.54 3hsk h ASN 110 CO 0.00 -0.29 0.00 -1.22 -1.65 0.00 0.00 177.43 174.27 3hsk n TYR 111 N -5.44 0.68 -0.23 1.19 4.01 -1.26 -4.51 117.16 111.59 3hsk n TYR 111 Ca 0.05 -0.41 0.00 0.00 -0.16 0.00 0.00 57.90 57.39 3hsk n TYR 111 Cb 0.36 -0.01 0.12 0.00 -0.31 0.00 0.00 39.34 39.50 3hsk n TYR 111 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hsk h ARG 112 N 3.71 0.57 -0.20 -0.72 3.08 -1.69 -2.48 114.38 116.64 3hsk h ARG 112 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3hsk h ARG 112 Cb 0.90 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.83 3hsk h ARG 112 CO 0.00 0.37 0.00 0.54 -1.07 0.00 0.00 179.97 179.81 3hsk n ARG 113 N -4.87 1.85 -2.15 0.04 1.74 -1.26 -4.70 116.66 107.31 3hsk n ARG 113 Ca 0.10 -1.27 -0.41 0.00 -0.77 0.00 0.00 57.85 55.49 3hsk n ARG 113 Cb 0.25 -1.41 -0.03 0.00 -1.02 0.00 0.00 32.46 30.26 3hsk n ARG 113 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3hsk s GLU 114 N -1.74 4.34 0.32 5.56 2.12 -0.94 -4.93 118.70 123.43 3hsk s GLU 114 Ca 0.33 2.14 0.01 0.00 0.36 0.00 0.00 54.97 57.81 3hsk s GLU 114 Cb 0.18 -3.17 0.56 0.00 0.26 0.00 0.00 34.13 31.96 3hsk s GLU 114 CO 0.27 -0.32 1.94 0.87 -0.54 0.00 0.00 175.26 177.48 3hsk h LYS 115 N 5.32 0.96 -0.57 4.30 1.57 -1.90 -1.88 116.57 124.36 3hsk h LYS 115 Ca -0.45 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3hsk h LYS 115 Cb 1.22 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.31 3hsk h LYS 115 CO 0.78 0.63 0.00 -0.40 -0.57 0.00 0.00 179.45 179.89 3hsk n ASP 116 N -4.46 3.18 -4.41 0.86 5.75 -1.26 -0.94 116.55 115.27 3hsk n ASP 116 Ca 0.11 -2.11 -0.36 0.00 -0.01 0.00 0.00 54.79 52.42 3hsk n ASP 116 Cb 0.14 -0.41 -0.13 0.00 -1.03 0.00 0.00 41.12 39.70 3hsk n ASP 116 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3hsk s VAL 117 N -1.43 4.16 0.23 2.12 1.01 -0.71 -4.91 120.40 120.87 3hsk s VAL 117 Ca 0.37 -0.30 -0.31 0.00 0.00 0.00 0.00 61.98 61.75 3hsk s VAL 117 Cb 0.21 -2.98 -0.10 0.00 0.00 0.00 0.00 36.38 33.51 3hsk s VAL 117 CO 0.23 0.30 1.53 -2.84 0.00 0.00 0.00 175.10 174.32 3hsk s PRO 118 N 1.58 4.21 -0.38 2.72 0.02 -1.26 -4.78 135.00 137.11 3hsk s PRO 118 Ca 0.06 2.41 -0.06 0.00 0.02 0.00 0.00 61.00 63.43 3hsk s PRO 118 Cb -0.15 -3.10 0.07 0.00 0.02 0.00 0.00 34.50 31.34 3hsk s PRO 118 CO 0.03 -0.55 0.17 -1.17 -0.33 0.00 0.00 177.00 175.15 3hsk s LEU 119 N 0.11 4.80 -0.18 -5.54 2.96 -1.26 -1.31 118.68 118.27 3hsk s LEU 119 Ca 0.64 -1.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.03 3hsk s LEU 119 Cb -0.44 -1.88 0.01 0.00 0.50 0.00 0.00 46.19 44.38 3hsk s LEU 119 CO 0.40 -0.45 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.13 3hsk s VAL 120 N 1.32 2.38 -0.52 1.68 1.01 -0.44 -4.59 120.40 121.23 3hsk s VAL 120 Ca 0.02 -0.84 -0.17 0.00 0.00 0.00 0.00 61.98 60.99 3hsk s VAL 120 Cb -0.22 -2.02 0.09 0.00 0.00 0.00 0.00 36.38 34.23 3hsk s VAL 120 CO 0.00 0.51 0.53 -0.69 0.00 0.00 0.00 175.10 175.46 3hsk s VAL 121 N 1.26 5.06 0.35 2.92 1.01 -1.26 -3.59 120.40 126.15 3hsk s VAL 121 Ca 0.03 -1.00 0.36 0.00 0.00 0.00 0.00 61.98 61.37 3hsk s VAL 121 Cb -0.14 -4.28 0.36 0.00 0.00 0.00 0.00 36.38 32.32 3hsk s VAL 121 CO -0.09 -0.80 2.09 1.55 0.00 0.00 0.00 175.10 177.85 3hsk h PRO 122 N 8.92 0.00 -0.08 2.72 0.13 -1.91 0.27 132.00 142.05 3hsk h PRO 122 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3hsk h PRO 122 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3hsk h PRO 122 CO 0.98 0.00 0.00 0.44 -0.23 0.00 0.00 178.00 179.19 3hsk n ILE 123 N -2.76 0.09 0.06 -3.56 -5.35 -1.26 -4.23 119.36 102.35 3hsk n ILE 123 Ca -0.02 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 3hsk n ILE 123 Cb 0.07 0.63 0.00 0.00 -1.74 0.00 0.00 39.64 38.60 3hsk n ILE 123 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 3hsk n VAL 124 N 0.46 1.07 -2.63 7.28 0.31 0.84 -4.79 118.33 120.87 3hsk n VAL 124 Ca 0.18 0.35 -0.24 0.00 -0.01 0.00 0.00 64.34 64.62 3hsk n VAL 124 Cb 0.40 -1.45 -0.01 0.00 -0.91 0.00 0.00 33.84 31.87 3hsk n VAL 124 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3hsk n ASN 125 N -3.49 4.10 0.24 4.52 6.94 -0.55 -4.85 115.26 122.18 3hsk n ASN 125 Ca 0.00 -3.56 0.16 0.00 -0.02 0.00 0.00 54.58 51.16 3hsk n ASN 125 Cb 0.01 -0.50 0.85 0.00 -2.36 0.00 0.00 39.78 37.78 3hsk n ASN 125 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 3hsk h PRO 126 N 2.73 0.00 0.00 -0.53 0.13 -1.76 -2.29 132.00 130.29 3hsk h PRO 126 Ca 0.21 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.32 3hsk h PRO 126 Cb 0.86 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 3hsk h PRO 126 CO 0.79 0.00 -0.09 1.05 -0.23 0.00 0.00 178.00 179.51 3hsk h GLU 127 N 0.00 0.00 0.00 0.86 9.09 -1.95 -2.39 114.58 120.20 3hsk h GLU 127 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3hsk h GLU 127 Cb 0.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.17 3hsk h GLU 127 CO 0.00 0.09 0.00 0.45 0.05 0.00 0.00 179.01 179.60 3hsk h HIS 128 N 0.00 0.00 0.00 2.06 3.86 -1.82 -1.12 115.15 118.13 3hsk h HIS 128 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3hsk h HIS 128 Cb 0.67 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.14 3hsk h HIS 128 CO 0.00 0.00 -0.04 0.82 0.86 0.00 0.00 177.93 179.57 3hsk h ILE 129 N 0.00 0.11 -0.70 2.45 2.04 -1.63 -3.08 117.51 116.70 3hsk h ILE 129 Ca 0.00 -0.55 0.17 0.00 1.00 0.00 0.00 64.86 65.49 3hsk h ILE 129 Cb 0.22 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 3hsk h ILE 129 CO 0.00 0.04 0.48 0.44 0.00 0.00 0.00 178.15 179.11 3hsk h ASP 130 N 0.00 0.19 -0.33 1.72 3.32 -1.39 -0.23 116.42 119.70 3hsk h ASP 130 Ca -0.00 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.10 3hsk h ASP 130 Cb 0.49 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 3hsk h ASP 130 CO 0.00 0.09 0.12 0.58 -1.72 0.00 0.00 179.24 178.31 3hsk h VAL 131 N 0.20 0.91 -0.01 -1.35 2.07 -1.74 0.14 116.25 116.46 3hsk h VAL 131 Ca 0.34 -0.09 -0.21 0.00 0.82 0.00 0.00 66.70 67.56 3hsk h VAL 131 Cb 1.06 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 3hsk h VAL 131 CO -0.06 0.05 -0.89 -0.37 0.02 0.00 0.00 177.57 176.32 3hsk h VAL 132 N 0.26 1.43 -0.33 2.57 -1.51 -1.49 -2.92 116.25 114.26 3hsk h VAL 132 Ca 0.15 -2.45 0.03 0.00 -1.23 0.00 0.00 66.70 63.20 3hsk h VAL 132 Cb 0.12 2.38 -0.03 0.00 -2.13 0.00 0.00 31.29 31.63 3hsk h VAL 132 CO -0.15 0.73 0.13 -0.08 -1.23 0.00 0.00 177.57 176.97 3hsk h GLU 133 N 0.20 0.28 -0.29 5.19 4.81 -0.63 0.16 114.58 124.29 3hsk h GLU 133 Ca -0.06 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 3hsk h GLU 133 Cb 1.51 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.81 3hsk h GLU 133 CO 0.15 0.18 0.03 -0.91 -0.73 0.00 0.00 179.01 177.73 3hsk h ASN 134 N 0.28 0.48 -0.38 1.04 2.35 -0.82 -1.15 115.58 117.39 3hsk h ASN 134 Ca 0.14 -0.28 0.06 0.00 -0.55 0.00 0.00 56.30 55.67 3hsk h ASN 134 Cb 0.10 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.29 3hsk h ASN 134 CO -0.13 0.64 0.07 0.50 -1.65 0.00 0.00 177.43 176.86 3hsk h LYS 135 N 0.30 0.19 0.09 0.81 3.64 -1.29 -1.17 116.57 119.13 3hsk h LYS 135 Ca 0.09 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3hsk h LYS 135 Cb 0.37 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3hsk h LYS 135 CO 0.01 0.13 -0.04 0.28 -2.27 0.00 0.00 179.45 177.55 3hsk h VAL 136 N 0.20 1.11 -0.12 2.00 2.07 -0.62 -2.60 116.25 118.28 3hsk h VAL 136 Ca 0.18 -0.76 -0.14 0.00 0.82 0.00 0.00 66.70 66.80 3hsk h VAL 136 Cb 0.21 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3hsk h VAL 136 CO -0.24 0.19 -0.52 0.11 0.02 0.00 0.00 177.57 177.12 3hsk h LYS 137 N -0.47 0.32 -0.19 1.57 1.57 -1.17 -1.89 116.57 116.32 3hsk h LYS 137 Ca -0.01 -0.19 -0.14 0.00 -1.87 0.00 0.00 60.65 58.43 3hsk h LYS 137 Cb 0.40 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3hsk h LYS 137 CO 0.02 0.77 -0.47 1.96 -0.57 0.00 0.00 179.45 181.16 3hsk h GLN 138 N 0.25 0.49 -0.42 3.15 1.08 -1.30 -2.02 115.11 116.34 3hsk h GLN 138 Ca 0.01 -0.28 -0.05 0.00 -1.45 0.00 0.00 58.65 56.89 3hsk h GLN 138 Cb 1.01 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.44 3hsk h GLN 138 CO 0.09 0.86 0.09 0.00 -0.95 0.00 0.00 178.83 178.91 3hsk h ALA 139 N 1.09 0.56 0.00 3.87 0.00 -1.04 -3.03 119.26 120.72 3hsk h ALA 139 Ca 0.02 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 3hsk h ALA 139 Cb 0.98 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3hsk h ALA 139 CO 0.09 0.26 -0.85 -0.24 0.00 0.00 0.00 179.25 178.51 3hsk h VAL 140 N 0.55 1.56 0.00 0.00 3.04 -1.38 -2.83 116.25 117.20 3hsk h VAL 140 Ca 0.13 -2.76 -0.04 0.00 -1.01 0.00 0.00 66.70 63.01 3hsk h VAL 140 Cb 0.35 2.51 -0.01 0.00 -2.01 0.00 0.00 31.29 32.13 3hsk h VAL 140 CO 0.00 0.80 -0.21 0.77 -1.01 0.00 0.00 177.57 177.92 3hsk h SER 141 N 0.04 0.00 -0.18 3.17 4.64 -1.35 -0.66 113.55 119.20 3hsk h SER 141 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3hsk h SER 141 Cb 1.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 3hsk h SER 141 CO 0.12 0.21 0.00 0.29 -0.87 0.00 0.00 176.83 176.57 3hsk n LYS 142 N -3.57 1.57 -0.01 4.77 5.02 -1.15 -4.91 118.16 119.87 3hsk n LYS 142 Ca -0.01 -0.86 0.00 0.00 -2.02 0.00 0.00 58.31 55.42 3hsk n LYS 142 Cb 0.35 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 3hsk n LYS 142 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hsk n GLY 143 N 0.99 1.38 3.78 0.72 0.00 -0.26 -5.05 105.19 106.75 3hsk n GLY 143 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3hsk n GLY 143 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hsk s GLY 144 N -1.99 1.67 0.18 -0.02 0.00 -1.07 -4.98 107.32 101.11 3hsk s GLY 144 Ca 0.00 -0.99 -0.30 0.00 0.00 0.00 0.00 44.72 43.43 3hsk s GLY 144 CO 0.00 -0.22 1.20 0.54 0.00 0.00 0.00 173.10 174.62 3hsk s LYS 145 N -5.61 4.49 -0.19 2.90 1.02 -1.26 -4.29 119.74 116.80 3hsk s LYS 145 Ca 0.71 1.88 -0.36 0.00 0.02 0.00 0.00 55.97 58.22 3hsk s LYS 145 Cb -0.08 -3.24 -0.12 0.00 -0.52 0.00 0.00 37.83 33.87 3hsk s LYS 145 CO 0.54 -0.10 1.92 0.36 -0.92 0.00 0.00 175.35 177.15 3hsk n LYS 146 N 2.54 1.71 -0.28 1.68 -0.00 -1.26 -4.75 118.16 117.80 3hsk n LYS 146 Ca 0.04 0.60 -0.02 0.00 -0.00 0.00 0.00 58.31 58.93 3hsk n LYS 146 Cb 0.45 -2.50 0.14 0.00 -0.00 0.00 0.00 35.03 33.12 3hsk n LYS 146 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 3hsk h PRO 147 N 9.53 1.15 0.00 -1.58 0.13 -1.87 -3.45 132.00 135.90 3hsk h PRO 147 Ca -0.44 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 3hsk h PRO 147 Cb 1.29 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3hsk h PRO 147 CO 0.97 0.83 0.00 0.41 -0.23 0.00 0.00 178.00 179.98 3hsk n GLY 148 N -1.20 -1.26 3.80 1.56 0.00 -1.26 -4.23 105.19 102.61 3hsk n GLY 148 Ca 0.09 -1.32 -0.08 0.00 0.00 0.00 0.00 46.02 44.71 3hsk n GLY 148 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hsk s PHE 149 N -1.85 0.04 -0.03 1.61 -0.12 -0.73 -4.86 117.98 112.03 3hsk s PHE 149 Ca 0.00 -0.57 0.02 0.00 -0.05 0.00 0.00 56.93 56.33 3hsk s PHE 149 Cb 0.00 0.68 0.01 0.00 -0.63 0.00 0.00 43.02 43.08 3hsk s PHE 149 CO 0.00 -1.35 -0.08 -1.50 -0.05 0.00 0.00 175.22 172.24 3hsk s ILE 150 N -3.23 0.76 -0.12 -4.49 2.07 -1.26 -1.39 121.20 113.53 3hsk s ILE 150 Ca 0.15 -0.31 0.01 0.00 -1.41 0.00 0.00 60.65 59.09 3hsk s ILE 150 Cb -0.05 -0.70 -0.01 0.00 0.13 0.00 0.00 42.46 41.84 3hsk s ILE 150 CO 0.10 0.25 -0.17 -0.63 -1.91 0.00 0.00 174.94 172.58 3hsk s ILE 151 N 0.42 2.66 -0.04 2.00 1.01 0.11 -4.30 121.20 123.07 3hsk s ILE 151 Ca -0.07 -0.80 -0.09 0.00 0.00 0.00 0.00 60.65 59.69 3hsk s ILE 151 Cb -0.11 -2.09 -0.05 0.00 0.01 0.00 0.00 42.46 40.22 3hsk s ILE 151 CO 0.01 0.53 0.26 0.00 0.00 0.00 0.00 174.94 175.74 3hsk s ILE 153 N -1.13 5.27 0.68 0.00 1.01 0.11 -1.33 121.20 125.81 3hsk s ILE 153 Ca 0.21 0.50 -0.12 0.00 0.00 0.00 0.00 60.65 61.24 3hsk s ILE 153 Cb -0.14 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.70 3hsk s ILE 153 CO 0.10 0.31 1.07 -0.44 0.00 0.00 0.00 174.94 175.98 3hsk s SER 154 N 0.94 5.32 0.73 3.58 0.01 -1.24 -4.66 113.70 118.38 3hsk s SER 154 Ca 0.15 1.74 -0.13 0.00 1.31 0.00 0.00 55.95 59.02 3hsk s SER 154 Cb -0.14 -2.51 0.04 0.00 0.21 0.00 0.00 66.02 63.61 3hsk s SER 154 CO 0.06 -1.48 1.12 0.54 0.41 0.00 0.00 173.24 173.88 3hsk s ASN 155 N -3.34 4.62 0.40 2.44 4.22 -1.26 -4.69 114.94 117.33 3hsk s ASN 155 Ca 0.61 1.99 0.17 0.00 -2.14 0.00 0.00 52.86 53.49 3hsk s ASN 155 Cb -0.16 -2.55 1.07 0.00 1.28 0.00 0.00 41.25 40.90 3hsk s ASN 155 CO 0.49 -1.96 1.79 0.00 -2.04 0.00 0.00 177.10 175.39 3hsk h SER 157 N 0.43 0.35 -0.11 0.00 0.02 -1.92 -1.11 113.55 111.22 3hsk h SER 157 Ca 0.56 -0.48 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3hsk h SER 157 Cb 1.37 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.81 3hsk h SER 157 CO -0.27 0.76 0.05 0.74 -1.14 0.00 0.00 176.83 176.97 3hsk h THR 158 N -0.05 1.13 -0.96 -2.27 2.02 -1.81 -2.40 112.91 108.56 3hsk h THR 158 Ca 0.02 -0.39 0.08 0.00 0.77 0.00 0.00 66.41 66.90 3hsk h THR 158 Cb 0.66 1.19 -0.07 0.00 -1.74 0.00 0.00 68.15 68.20 3hsk h THR 158 CO 0.03 0.12 0.62 0.00 0.37 0.00 0.00 175.52 176.66 3hsk h ALA 159 N 0.90 1.49 -0.50 6.16 0.00 -1.04 -1.53 119.26 124.75 3hsk h ALA 159 Ca 0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3hsk h ALA 159 Cb 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3hsk h ALA 159 CO -0.00 0.33 -0.07 0.78 0.00 0.00 0.00 179.25 180.29 3hsk h GLY 160 N 1.06 0.97 0.70 0.00 0.00 -1.11 -2.10 103.07 102.59 3hsk h GLY 160 Ca 0.43 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 3hsk h GLY 160 CO -0.19 0.67 -0.01 -2.00 0.00 0.00 0.00 176.54 175.02 3hsk h LEU 161 N 0.82 0.10 -0.24 3.11 5.85 -0.79 -3.30 115.31 120.85 3hsk h LEU 161 Ca 0.14 -0.34 -0.10 0.00 0.84 0.00 0.00 57.88 58.42 3hsk h LEU 161 Cb 0.59 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3hsk h LEU 161 CO 0.04 0.42 -0.49 -0.37 -0.34 0.00 0.00 178.44 177.70 3hsk h VAL 162 N -0.22 0.89 -0.31 1.05 -1.51 -1.36 -3.38 116.25 111.41 3hsk h VAL 162 Ca 0.01 -2.08 0.07 0.00 -1.23 0.00 0.00 66.70 63.47 3hsk h VAL 162 Cb 0.37 2.31 -0.08 0.00 -2.13 0.00 0.00 31.29 31.76 3hsk h VAL 162 CO 0.00 0.48 -0.35 0.00 -1.23 0.00 0.00 177.57 176.47 3hsk h ALA 163 N 1.51 -0.30 0.00 5.19 0.00 -1.46 0.47 119.26 124.67 3hsk h ALA 163 Ca -0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hsk h ALA 163 Cb 1.28 0.72 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 3hsk h ALA 163 CO 0.06 -0.78 -0.05 -1.00 0.00 0.00 0.00 179.25 177.48 3hsk h PRO 164 N -0.32 0.00 -0.04 0.00 0.13 -1.76 -3.30 132.00 126.70 3hsk h PRO 164 Ca 0.14 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.18 3hsk h PRO 164 Cb 0.55 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 3hsk h PRO 164 CO -0.49 0.05 -0.37 -0.07 -0.23 0.00 0.00 178.00 176.89 3hsk h LEU 165 N 0.00 0.09 0.61 1.56 3.38 -1.08 -3.29 115.31 116.58 3hsk h LEU 165 Ca -0.00 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3hsk h LEU 165 Cb 0.68 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.41 3hsk h LEU 165 CO 0.01 0.46 -0.29 0.50 0.09 0.00 0.00 178.44 179.20 3hsk h LYS 166 N 0.07 -0.79 -0.88 1.13 1.63 -1.55 0.72 116.57 116.90 3hsk h LYS 166 Ca 0.01 0.05 0.11 0.00 -0.85 0.00 0.00 60.65 59.98 3hsk h LYS 166 Cb 0.70 0.18 -0.08 0.00 -0.60 0.00 0.00 32.23 32.42 3hsk h LYS 166 CO 0.05 -0.48 0.51 -1.00 -3.45 0.00 0.00 179.45 175.08 3hsk h PRO 167 N -0.95 0.79 -0.76 1.90 0.13 -1.80 -0.08 132.00 131.22 3hsk h PRO 167 Ca -0.08 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.98 3hsk h PRO 167 Cb 0.67 -0.18 -0.04 0.00 0.13 0.00 0.00 31.00 31.58 3hsk h PRO 167 CO 0.14 0.52 0.41 -0.07 -0.23 0.00 0.00 178.00 178.77 3hsk h LEU 168 N 0.81 0.95 -0.37 1.56 3.38 -1.57 -1.19 115.31 118.89 3hsk h LEU 168 Ca 0.44 -0.08 -0.19 0.00 0.09 0.00 0.00 57.88 58.14 3hsk h LEU 168 Cb 0.47 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3hsk h LEU 168 CO -0.28 0.78 -0.80 0.58 0.09 0.00 0.00 178.44 178.81 3hsk h VAL 169 N 1.07 1.43 -0.37 1.22 2.07 -0.20 -0.26 116.25 121.20 3hsk h VAL 169 Ca 0.27 -2.34 -0.04 0.00 0.82 0.00 0.00 66.70 65.41 3hsk h VAL 169 Cb 0.04 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 3hsk h VAL 169 CO -0.04 0.69 0.09 -0.33 0.02 0.00 0.00 177.57 178.00 3hsk h GLU 170 N 0.18 0.59 0.10 1.57 5.08 -0.66 -1.44 114.58 120.01 3hsk h GLU 170 Ca -0.04 -0.14 -0.16 0.00 -1.00 0.00 0.00 59.36 58.02 3hsk h GLU 170 Cb 1.39 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.57 3hsk h GLU 170 CO 0.13 0.63 -0.73 -0.22 -1.00 0.00 0.00 179.01 177.82 3hsk h LYS 171 N 0.45 0.20 -0.17 2.33 3.64 -1.26 -3.40 116.57 118.37 3hsk h LYS 171 Ca 0.12 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3hsk h LYS 171 Cb 0.30 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3hsk h LYS 171 CO 0.00 1.16 0.00 1.19 -2.27 0.00 0.00 179.45 179.54 3hsk n PHE 172 N -4.23 0.21 0.00 1.91 3.72 -0.11 -5.10 117.46 113.86 3hsk n PHE 172 Ca -0.16 -0.23 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 3hsk n PHE 172 Cb 0.74 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.27 3hsk n PHE 172 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hsk n GLY 173 N 0.59 -1.02 3.58 1.37 0.00 -0.54 -4.69 105.19 104.49 3hsk n GLY 173 Ca 0.09 -1.64 -0.39 0.00 0.00 0.00 0.00 46.02 44.08 3hsk n GLY 173 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hsk n PRO 174 N -0.94 0.97 -3.72 1.61 -0.04 -1.26 -4.40 135.00 127.21 3hsk n PRO 174 Ca 0.00 0.36 -0.37 0.00 -0.04 0.00 0.00 63.50 63.46 3hsk n PRO 174 Cb 0.00 -2.01 -0.11 0.00 -0.04 0.00 0.00 33.50 31.34 3hsk n PRO 174 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3hsk s ILE 175 N -1.47 4.87 -0.82 0.52 1.01 -1.26 -1.12 121.20 122.93 3hsk s ILE 175 Ca 0.70 0.02 0.22 0.00 0.00 0.00 0.00 60.65 61.58 3hsk s ILE 175 Cb -0.48 -3.28 -0.22 0.00 0.01 0.00 0.00 42.46 38.49 3hsk s ILE 175 CO 0.52 0.33 0.88 -0.90 0.00 0.00 0.00 174.94 175.77 3hsk n ASP 176 N 4.68 0.78 -3.78 3.58 5.75 -0.93 -4.69 116.55 121.94 3hsk n ASP 176 Ca -0.15 -0.73 -0.14 0.00 -0.01 0.00 0.00 54.79 53.76 3hsk n ASP 176 Cb 0.52 1.09 -0.15 0.00 -1.03 0.00 0.00 41.12 41.55 3hsk n ASP 176 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hsk s ALA 177 N -3.10 -0.12 -0.16 2.12 0.00 -1.22 -0.07 121.76 119.21 3hsk s ALA 177 Ca 0.05 0.43 -0.06 0.00 0.00 0.00 0.00 51.96 52.38 3hsk s ALA 177 Cb 0.16 -0.30 0.07 0.00 0.00 0.00 0.00 23.12 23.05 3hsk s ALA 177 CO 0.86 -0.11 0.34 -1.17 0.00 0.00 0.00 175.76 175.68 3hsk s LEU 178 N 0.87 -0.25 0.22 0.00 2.96 0.98 -1.54 118.68 121.91 3hsk s LEU 178 Ca -0.07 0.77 0.11 0.00 -0.22 0.00 0.00 54.13 54.72 3hsk s LEU 178 Cb -0.09 1.05 -0.04 0.00 0.50 0.00 0.00 46.19 47.60 3hsk s LEU 178 CO -0.03 -0.22 -0.17 0.42 -1.32 0.00 0.00 176.35 175.03 3hsk s THR 179 N 2.08 2.69 -0.21 3.68 -4.23 -0.34 -0.18 115.64 119.13 3hsk s THR 179 Ca -0.04 -2.02 -0.11 0.00 -1.18 0.00 0.00 61.69 58.35 3hsk s THR 179 Cb -0.11 -2.34 0.07 0.00 1.34 0.00 0.00 72.50 71.46 3hsk s THR 179 CO -0.11 -0.20 0.50 0.28 -0.54 0.00 0.00 174.62 174.55 3hsk s THR 180 N -1.93 -0.13 -0.22 3.99 -1.32 -0.28 -1.41 115.64 114.34 3hsk s THR 180 Ca 0.25 0.07 -0.04 0.00 -1.21 0.00 0.00 61.69 60.76 3hsk s THR 180 Cb -0.07 -0.74 -0.01 0.00 -1.51 0.00 0.00 72.50 70.16 3hsk s THR 180 CO 0.13 0.03 -0.02 -0.89 -2.21 0.00 0.00 174.62 171.66 3hsk s THR 181 N 1.66 3.56 0.16 5.08 2.01 -0.43 -0.81 115.64 126.87 3hsk s THR 181 Ca -0.09 -0.43 -0.06 0.00 0.31 0.00 0.00 61.69 61.42 3hsk s THR 181 Cb -0.08 -2.63 -0.06 0.00 0.01 0.00 0.00 72.50 69.75 3hsk s THR 181 CO -0.15 0.41 0.41 0.42 -0.69 0.00 0.00 174.62 175.03 3hsk s THR 182 N 1.42 5.11 -0.45 -0.82 -4.23 0.41 -0.83 115.64 116.26 3hsk s THR 182 Ca 0.05 0.14 0.03 0.00 -1.18 0.00 0.00 61.69 60.73 3hsk s THR 182 Cb -0.14 -3.62 0.13 0.00 1.34 0.00 0.00 72.50 70.20 3hsk s THR 182 CO -0.01 0.02 0.21 -0.76 -0.54 0.00 0.00 174.62 173.54 3hsk s LEU 183 N -2.67 3.59 -0.11 4.79 1.02 0.17 -2.63 118.68 122.85 3hsk s LEU 183 Ca 0.42 -2.64 -0.11 0.00 0.02 0.00 0.00 54.13 51.83 3hsk s LEU 183 Cb -0.12 -1.35 -0.05 0.00 0.02 0.00 0.00 46.19 44.70 3hsk s LEU 183 CO 0.24 -0.28 0.24 -1.10 0.02 0.00 0.00 176.35 175.47 3hsk s GLN 184 N 0.27 3.83 0.77 1.70 -0.21 0.14 -1.58 119.66 124.58 3hsk s GLN 184 Ca 0.16 0.05 -0.12 0.00 0.02 0.00 0.00 55.36 55.47 3hsk s GLN 184 Cb -0.24 -3.28 0.06 0.00 1.00 0.00 0.00 33.01 30.55 3hsk s GLN 184 CO -0.03 0.58 1.13 0.00 -2.12 0.00 0.00 175.29 174.85 3hsk s ALA 185 N -0.56 2.60 0.02 6.09 0.00 -1.26 -0.82 121.76 127.83 3hsk s ALA 185 Ca 0.17 -0.43 -0.22 0.00 0.00 0.00 0.00 51.96 51.47 3hsk s ALA 185 Cb -0.13 -3.02 -0.16 0.00 0.00 0.00 0.00 23.12 19.80 3hsk s ALA 185 CO 0.06 -1.52 1.34 0.82 0.00 0.00 0.00 175.76 176.46 3hsk h ILE 186 N -0.93 1.34 -0.01 0.00 2.04 -0.72 -3.46 117.51 115.77 3hsk h ILE 186 Ca -0.46 -1.16 -0.12 0.00 1.00 0.00 0.00 64.86 64.11 3hsk h ILE 186 Cb 1.29 1.91 0.03 0.00 -0.74 0.00 0.00 36.82 39.31 3hsk h ILE 186 CO 0.64 0.33 0.74 -1.54 0.00 0.00 0.00 178.15 178.31 3hsk n SER 187 N -4.70 -0.48 -4.50 1.72 3.41 -0.88 -4.82 113.62 103.37 3hsk n SER 187 Ca -0.07 -1.49 -0.26 0.00 -0.26 0.00 0.00 58.87 56.79 3hsk n SER 187 Cb 0.30 -0.55 -0.10 0.00 -0.26 0.00 0.00 64.21 63.59 3hsk n SER 187 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3hsk s GLY 194 N 3.91 1.73 -0.33 5.00 0.00 -1.26 -5.14 107.32 111.23 3hsk s GLY 194 Ca 0.28 -1.58 -0.08 0.00 0.00 0.00 0.00 44.72 43.34 3hsk s GLY 194 CO 0.10 -1.61 0.13 0.14 0.00 0.00 0.00 173.10 171.86 3hsk s VAL 195 N -1.76 4.07 0.65 1.40 1.01 -1.26 -5.10 120.40 119.41 3hsk s VAL 195 Ca 0.24 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 3hsk s VAL 195 Cb -0.08 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 3hsk s VAL 195 CO 0.13 -0.11 1.05 -0.94 0.00 0.00 0.00 175.10 175.23 3hsk s SER 196 N 1.48 5.66 0.33 3.32 1.04 -1.26 -4.95 113.70 119.32 3hsk s SER 196 Ca 0.01 1.63 0.02 0.00 0.48 0.00 0.00 55.95 58.09 3hsk s SER 196 Cb -0.19 -2.50 0.58 0.00 0.10 0.00 0.00 66.02 64.01 3hsk s SER 196 CO 0.04 -1.25 1.92 1.23 0.98 0.00 0.00 173.24 176.16 3hsk h GLY 197 N -0.30 0.78 0.72 7.32 0.00 -1.98 -2.43 103.07 107.17 3hsk h GLY 197 Ca -0.45 -0.38 0.06 0.00 0.00 0.00 0.00 47.33 46.56 3hsk h GLY 197 CO 0.58 0.36 0.43 1.98 0.00 0.00 0.00 176.54 179.88 3hsk h MET 198 N 0.72 0.76 -0.58 4.80 4.05 -1.94 -0.64 114.93 122.10 3hsk h MET 198 Ca 0.18 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.45 3hsk h MET 198 Cb 0.13 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 3hsk h MET 198 CO -0.02 0.51 -0.04 -0.44 0.23 0.00 0.00 176.91 177.15 3hsk h ASP 199 N 0.79 1.03 0.00 1.39 3.32 -1.82 -3.41 116.42 117.72 3hsk h ASP 199 Ca 0.32 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 3hsk h ASP 199 Cb 0.16 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3hsk h ASP 199 CO -0.17 1.10 -1.27 0.00 -1.72 0.00 0.00 179.24 177.18 3hsk n ILE 200 N -4.17 0.17 -1.85 0.35 0.13 -1.04 -4.79 119.36 108.16 3hsk n ILE 200 Ca 0.02 -0.16 -0.42 0.00 -1.10 0.00 0.00 62.75 61.10 3hsk n ILE 200 Cb 0.37 -0.30 -0.02 0.00 -0.84 0.00 0.00 39.64 38.84 3hsk n ILE 200 CO 0.00 0.00 0.00 -0.22 2.80 0.00 0.00 176.55 179.13 3hsk s LEU 201 N -3.88 4.36 -1.63 9.51 0.20 -0.27 -1.68 118.68 125.28 3hsk s LEU 201 Ca -0.02 2.80 -0.16 0.00 0.69 0.00 0.00 54.13 57.44 3hsk s LEU 201 Cb 0.02 -3.62 0.13 0.00 -0.43 0.00 0.00 46.19 42.29 3hsk s LEU 201 CO 0.20 -0.86 0.84 -0.67 -0.29 0.00 0.00 176.35 175.57 3hsk n ASP 202 N 2.94 -3.70 -3.87 3.68 2.03 -1.26 -4.92 116.55 111.44 3hsk n ASP 202 Ca 0.11 -0.93 -0.09 0.00 0.52 0.00 0.00 54.79 54.39 3hsk n ASP 202 Cb 0.38 -3.17 -0.05 0.00 -0.72 0.00 0.00 41.12 37.56 3hsk n ASP 202 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 3hsk s ASN 203 N -3.35 -0.12 -0.04 1.67 2.47 -0.68 -5.14 114.94 109.75 3hsk s ASN 203 Ca 0.68 -0.71 0.00 0.00 0.42 0.00 0.00 52.86 53.25 3hsk s ASN 203 Cb -0.36 0.54 0.03 0.00 -1.45 0.00 0.00 41.25 40.00 3hsk s ASN 203 CO 0.89 -1.03 -0.01 -0.63 -3.72 0.00 0.00 177.10 172.60 3hsk s ILE 204 N -3.94 0.30 -0.40 -5.21 1.01 -1.26 -4.07 121.20 107.63 3hsk s ILE 204 Ca 0.15 0.03 -0.11 0.00 0.00 0.00 0.00 60.65 60.72 3hsk s ILE 204 Cb 0.00 -0.38 0.05 0.00 0.01 0.00 0.00 42.46 42.14 3hsk s ILE 204 CO 0.01 0.18 0.24 -0.69 0.00 0.00 0.00 174.94 174.69 3hsk s VAL 205 N 1.08 4.51 -0.15 2.92 1.01 -1.01 -4.98 120.40 123.78 3hsk s VAL 205 Ca -0.09 -1.08 -0.02 0.00 0.00 0.00 0.00 61.98 60.79 3hsk s VAL 205 Cb -0.14 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.64 3hsk s VAL 205 CO -0.01 -0.37 2.38 -0.81 0.00 0.00 0.00 175.10 176.29 3hsk n PRO 206 N 4.99 1.59 -3.57 2.72 -0.04 -1.26 -1.09 135.00 138.33 3hsk n PRO 206 Ca -0.11 -0.93 -0.01 0.00 -0.04 0.00 0.00 63.50 62.41 3hsk n PRO 206 Cb 0.45 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.36 3hsk n PRO 206 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3hsk s TYR 207 N -0.58 -1.06 -0.18 0.54 5.04 -1.19 -4.81 117.35 115.10 3hsk s TYR 207 Ca 0.28 1.88 0.01 0.00 -2.44 0.00 0.00 57.07 56.80 3hsk s TYR 207 Cb 0.18 0.64 0.03 0.00 0.35 0.00 0.00 41.96 43.16 3hsk s TYR 207 CO -0.03 -0.53 -0.13 0.42 -1.34 0.00 0.00 175.55 173.95 3hsk s ILE 208 N 2.51 1.73 -0.09 3.14 1.01 -1.26 -4.74 121.20 123.49 3hsk s ILE 208 Ca -0.06 -0.93 -0.34 0.00 0.00 0.00 0.00 60.65 59.32 3hsk s ILE 208 Cb -0.09 -1.71 -0.12 0.00 0.01 0.00 0.00 42.46 40.56 3hsk s ILE 208 CO -0.18 0.30 1.89 -0.24 0.00 0.00 0.00 174.94 176.71 3hsk n SER 209 N 4.68 3.48 0.00 3.58 2.88 -1.26 -1.74 113.62 125.24 3hsk n SER 209 Ca -0.16 0.97 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 3hsk n SER 209 Cb 0.48 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 3hsk n SER 209 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hsk n GLY 210 N 4.43 2.41 0.30 0.46 0.00 -1.26 -4.91 105.19 106.62 3hsk n GLY 210 Ca 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.16 3hsk n GLY 210 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hsk h GLU 211 N 2.06 1.06 -0.18 1.61 4.57 -1.78 -2.11 114.58 119.82 3hsk h GLU 211 Ca 0.00 -0.28 -0.08 0.00 -1.18 0.00 0.00 59.36 57.82 3hsk h GLU 211 Cb 0.00 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.46 3hsk h GLU 211 CO 0.00 0.98 -0.21 0.93 -1.18 0.00 0.00 179.01 179.53 3hsk h GLU 212 N 0.98 0.45 -0.51 1.92 5.08 -1.91 -0.05 114.58 120.53 3hsk h GLU 212 Ca 0.20 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3hsk h GLU 212 Cb 0.43 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3hsk h GLU 212 CO 0.01 0.83 0.33 -0.44 -1.00 0.00 0.00 179.01 178.73 3hsk h ASP 213 N 0.10 0.61 -0.02 1.42 3.32 -1.94 0.56 116.42 120.48 3hsk h ASP 213 Ca 0.02 -0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.07 3hsk h ASP 213 Cb 0.76 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 40.10 3hsk h ASP 213 CO 0.05 0.46 -0.47 0.50 -1.72 0.00 0.00 179.24 178.07 3hsk h LYS 214 N 0.69 -0.59 -0.47 3.56 3.64 -1.33 0.34 116.57 122.41 3hsk h LYS 214 Ca 0.19 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.65 3hsk h LYS 214 Cb -0.04 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 3hsk h LYS 214 CO -0.04 -0.39 0.24 1.25 -2.27 0.00 0.00 179.45 178.24 3hsk h LEU 215 N -0.61 0.34 -0.33 5.20 5.85 -0.69 0.70 115.31 125.76 3hsk h LEU 215 Ca 0.04 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.66 3hsk h LEU 215 Cb 0.68 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 3hsk h LEU 215 CO -0.34 0.24 -0.26 -0.33 -0.34 0.00 0.00 178.44 177.40 3hsk h GLU 216 N 0.47 0.77 0.08 1.25 5.08 -0.74 -3.13 114.58 118.35 3hsk h GLU 216 Ca 0.21 -0.38 -0.14 0.00 -1.00 0.00 0.00 59.36 58.06 3hsk h GLU 216 Cb 0.12 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.38 3hsk h GLU 216 CO -0.15 1.00 -0.58 2.35 -1.00 0.00 0.00 179.01 180.64 3hsk h TRP 217 N 0.54 0.43 -0.66 4.33 7.01 -0.78 -3.34 115.95 123.48 3hsk h TRP 217 Ca 0.06 -0.29 -0.05 0.00 2.11 0.00 0.00 58.89 60.72 3hsk h TRP 217 Cb 0.83 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.83 3hsk h TRP 217 CO 0.07 1.19 0.20 0.93 -2.79 0.00 0.00 178.44 178.03 3hsk h GLU 218 N -0.45 1.01 -0.45 2.65 5.08 -0.98 -2.67 114.58 118.78 3hsk h GLU 218 Ca -0.09 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 3hsk h GLU 218 Cb 1.41 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 3hsk h GLU 218 CO 0.11 0.87 0.19 1.79 -1.00 0.00 0.00 179.01 180.97 3hsk h THR 219 N 0.98 1.16 -0.51 1.13 1.35 -1.70 -0.37 112.91 114.96 3hsk h THR 219 Ca 0.22 -0.50 -0.07 0.00 -0.55 0.00 0.00 66.41 65.51 3hsk h THR 219 Cb 0.29 0.62 -0.02 0.00 -1.73 0.00 0.00 68.15 67.30 3hsk h THR 219 CO -0.01 0.20 0.02 0.11 -0.25 0.00 0.00 175.52 175.59 3hsk h LYS 220 N 0.63 0.84 -0.10 4.72 1.57 -1.60 -1.62 116.57 121.03 3hsk h LYS 220 Ca 0.16 -0.23 -0.12 0.00 -1.87 0.00 0.00 60.65 58.59 3hsk h LYS 220 Cb 0.11 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.32 3hsk h LYS 220 CO -0.02 0.83 -0.42 -0.22 -0.57 0.00 0.00 179.45 179.05 3hsk h LYS 221 N 0.79 0.46 -0.58 3.15 3.64 -1.30 -1.49 116.57 121.24 3hsk h LYS 221 Ca 0.15 -0.36 -0.06 0.00 -1.27 0.00 0.00 60.65 59.11 3hsk h LYS 221 Cb 0.45 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 3hsk h LYS 221 CO 0.02 0.99 0.12 0.82 -2.27 0.00 0.00 179.45 179.13 3hsk h ILE 222 N 0.03 1.24 -0.02 2.00 2.04 -1.00 -1.88 117.51 119.93 3hsk h ILE 222 Ca -0.03 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 64.94 3hsk h ILE 222 Cb 1.07 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3hsk h ILE 222 CO 0.09 0.33 -0.07 0.18 0.00 0.00 0.00 178.15 178.68 3hsk n LEU 223 N -4.25 1.73 0.00 1.44 4.77 -0.62 -4.75 117.00 115.32 3hsk n LEU 223 Ca 0.04 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 3hsk n LEU 223 Cb 0.25 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3hsk n LEU 223 CO 0.41 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3hsk n GLY 224 N 1.25 -0.61 0.00 -0.72 0.00 -0.69 -4.81 105.19 99.61 3hsk n GLY 224 Ca 0.16 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.51 3hsk n GLY 224 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hsk n GLY 225 N 5.00 5.96 3.33 -0.02 0.00 -0.00 -4.92 105.19 114.54 3hsk n GLY 225 Ca 0.00 -1.59 -0.23 0.00 0.00 0.00 0.00 46.02 44.20 3hsk n GLY 225 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hsk s VAL 226 N 0.34 1.82 0.98 1.61 -7.23 -1.26 -0.30 120.40 116.36 3hsk s VAL 226 Ca 0.00 -1.82 -0.12 0.00 -1.81 0.00 0.00 61.98 58.22 3hsk s VAL 226 Cb 0.00 -1.79 0.18 0.00 0.56 0.00 0.00 36.38 35.33 3hsk s VAL 226 CO 0.00 -0.23 1.09 0.54 -0.31 0.00 0.00 175.10 176.19 3hsk s ASN 227 N -2.46 2.81 0.29 4.85 4.22 0.43 -4.66 114.94 120.42 3hsk s ASN 227 Ca 0.14 1.24 0.00 0.00 -2.14 0.00 0.00 52.86 52.10 3hsk s ASN 227 Cb -0.07 -1.91 0.51 0.00 1.28 0.00 0.00 41.25 41.07 3hsk s ASN 227 CO 0.06 -3.02 1.90 0.00 -2.04 0.00 0.00 177.10 173.99 3hsk h ALA 228 N -1.82 1.50 0.00 3.54 0.00 -2.02 -0.29 119.26 120.17 3hsk h ALA 228 Ca -0.53 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3hsk h ALA 228 Cb 1.32 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3hsk h ALA 228 CO 0.57 0.35 0.00 -1.91 0.00 0.00 0.00 179.25 178.26 3hsk n GLU 229 N -4.50 0.11 -1.70 0.00 2.13 -1.26 -4.90 120.64 110.51 3hsk n GLU 229 Ca 0.15 0.32 -0.13 0.00 0.66 0.00 0.00 57.16 58.16 3hsk n GLU 229 Cb 0.22 -1.70 -0.04 0.00 0.27 0.00 0.00 31.44 30.19 3hsk n GLU 229 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hsk n GLY 230 N 0.13 0.77 0.01 8.31 0.00 -0.12 -4.89 105.19 109.41 3hsk n GLY 230 Ca 0.03 -0.41 0.01 0.00 0.00 0.00 0.00 46.02 45.65 3hsk n GLY 230 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hsk n THR 231 N -3.17 0.17 -4.23 2.61 -2.24 -1.26 -4.83 114.28 101.33 3hsk n THR 231 Ca -0.13 -0.21 -0.19 0.00 -2.27 0.00 0.00 64.05 61.24 3hsk n THR 231 Cb 0.49 -0.09 -0.12 0.00 -2.10 0.00 0.00 70.33 68.52 3hsk n THR 231 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3hsk s GLU 232 N -2.38 0.99 0.14 -0.78 2.02 -1.26 -4.42 118.70 113.01 3hsk s GLU 232 Ca -0.03 -1.15 -0.23 0.00 0.02 0.00 0.00 54.97 53.57 3hsk s GLU 232 Cb 0.04 -0.98 -0.08 0.00 0.10 0.00 0.00 34.13 33.21 3hsk s GLU 232 CO 0.29 0.21 0.71 -0.06 0.02 0.00 0.00 175.26 176.43 3hsk s PHE 233 N -1.73 3.87 -0.44 1.61 0.08 -0.12 -0.43 117.98 120.83 3hsk s PHE 233 Ca 0.06 1.52 0.01 0.00 0.12 0.00 0.00 56.93 58.64 3hsk s PHE 233 Cb -0.07 -2.68 0.12 0.00 -0.57 0.00 0.00 43.02 39.82 3hsk s PHE 233 CO 0.03 0.54 0.20 0.08 -0.10 0.00 0.00 175.22 175.97 3hsk s VAL 234 N -1.15 2.82 0.58 -0.44 1.01 0.59 -4.76 120.40 119.05 3hsk s VAL 234 Ca 0.34 -2.62 -0.20 0.00 0.00 0.00 0.00 61.98 59.50 3hsk s VAL 234 Cb -0.22 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 3hsk s VAL 234 CO 0.24 -0.71 1.28 -2.84 0.00 0.00 0.00 175.10 173.07 3hsk s PRO 235 N 0.51 2.97 -0.29 2.72 0.02 -1.26 -0.82 135.00 138.84 3hsk s PRO 235 Ca 0.13 2.03 -0.41 0.00 0.02 0.00 0.00 61.00 62.77 3hsk s PRO 235 Cb -0.22 -2.05 -0.16 0.00 0.02 0.00 0.00 34.50 32.08 3hsk s PRO 235 CO -0.04 -1.26 1.69 -0.89 -0.33 0.00 0.00 177.00 176.16 3hsk n ILE 236 N -1.40 0.24 -1.18 2.83 2.08 -0.65 -4.84 119.36 116.43 3hsk n ILE 236 Ca 0.13 -0.04 -0.32 0.00 0.56 0.00 0.00 62.75 63.07 3hsk n ILE 236 Cb 0.47 -1.07 0.11 0.00 -0.75 0.00 0.00 39.64 38.41 3hsk n ILE 236 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3hsk s PRO 237 N 3.26 1.84 0.39 0.38 0.04 -1.26 -4.83 135.00 134.82 3hsk s PRO 237 Ca 0.99 1.54 0.07 0.00 0.04 0.00 0.00 61.00 63.63 3hsk s PRO 237 Cb -1.14 -1.82 0.80 0.00 0.04 0.00 0.00 34.50 32.38 3hsk s PRO 237 CO 0.67 -2.01 2.00 1.05 0.04 0.00 0.00 177.00 178.75 3hsk h GLU 238 N -0.96 0.48 0.00 4.56 9.09 -1.91 -1.13 114.58 124.71 3hsk h GLU 238 Ca -0.45 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 58.90 3hsk h GLU 238 Cb 1.27 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 3hsk h GLU 238 CO 0.48 0.40 0.00 -1.13 0.05 0.00 0.00 179.01 178.80 3hsk n SER 239 N -4.41 0.27 -0.03 3.06 3.41 -1.26 -3.35 113.62 111.31 3hsk n SER 239 Ca 0.02 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 3hsk n SER 239 Cb 0.13 -0.63 -0.10 0.00 -0.26 0.00 0.00 64.21 63.35 3hsk n SER 239 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3hsk n GLU 240 N -1.80 1.20 -3.68 4.33 2.13 -0.46 -4.97 120.64 117.38 3hsk n GLU 240 Ca 0.03 -0.06 -0.10 0.00 0.66 0.00 0.00 57.16 57.68 3hsk n GLU 240 Cb 0.18 -1.31 -0.11 0.00 0.27 0.00 0.00 31.44 30.46 3hsk n GLU 240 CO 0.00 0.00 0.00 1.41 -0.41 0.00 0.00 177.13 178.13 3hsk s MET 241 N -2.61 0.35 -0.16 5.31 0.00 -0.99 -4.30 119.30 116.91 3hsk s MET 241 Ca -0.05 0.84 -0.07 0.00 0.00 0.00 0.00 55.69 56.40 3hsk s MET 241 Cb 0.06 0.07 -0.04 0.00 0.00 0.00 0.00 34.83 34.91 3hsk s MET 241 CO 0.53 -0.19 0.09 0.15 0.00 0.00 0.00 175.02 175.60 3hsk s LYS 242 N 1.78 3.77 -0.08 4.11 -0.14 0.89 -4.50 119.74 125.57 3hsk s LYS 242 Ca -0.07 -0.26 0.00 0.00 -1.36 0.00 0.00 55.97 54.29 3hsk s LYS 242 Cb -0.10 -3.21 0.02 0.00 -1.68 0.00 0.00 37.83 32.86 3hsk s LYS 242 CO -0.12 0.47 -0.06 0.14 -0.76 0.00 0.00 175.35 175.01 3hsk s VAL 243 N -0.17 0.82 -0.18 3.17 -7.23 -1.25 -0.02 120.40 115.54 3hsk s VAL 243 Ca 0.09 -0.21 0.01 0.00 -1.81 0.00 0.00 61.98 60.05 3hsk s VAL 243 Cb -0.12 -0.84 0.03 0.00 0.56 0.00 0.00 36.38 36.01 3hsk s VAL 243 CO 0.01 0.31 -0.11 -0.55 -0.31 0.00 0.00 175.10 174.45 3hsk s SER 244 N 1.38 3.06 -0.05 4.85 0.15 0.75 -4.86 113.70 118.98 3hsk s SER 244 Ca -0.02 -0.71 0.02 0.00 0.70 0.00 0.00 55.95 55.94 3hsk s SER 244 Cb -0.14 -1.18 -0.03 0.00 -1.71 0.00 0.00 66.02 62.97 3hsk s SER 244 CO -0.03 -0.12 -0.10 0.00 1.20 0.00 0.00 173.24 174.19 3hsk s ALA 245 N 1.46 2.84 -0.17 5.45 0.00 -1.26 -1.12 121.76 128.95 3hsk s ALA 245 Ca 0.01 -0.94 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 3hsk s ALA 245 Cb -0.15 -1.10 0.05 0.00 0.00 0.00 0.00 23.12 21.92 3hsk s ALA 245 CO -0.09 0.57 0.02 -0.65 0.00 0.00 0.00 175.76 175.60 3hsk s GLN 246 N -0.84 0.78 -0.09 0.00 -0.21 0.01 -4.90 119.66 114.42 3hsk s GLN 246 Ca 0.12 -0.38 -0.02 0.00 0.02 0.00 0.00 55.36 55.11 3hsk s GLN 246 Cb -0.11 -1.94 -0.03 0.00 1.00 0.00 0.00 33.01 31.93 3hsk s GLN 246 CO 0.02 -0.56 -0.00 0.00 -2.12 0.00 0.00 175.29 172.62 3hsk s ASN 248 N -0.81 0.18 -0.02 0.00 0.01 -1.08 -3.14 114.94 110.08 3hsk s ASN 248 Ca 0.12 -0.04 -0.17 0.00 -0.71 0.00 0.00 52.86 52.07 3hsk s ASN 248 Cb -0.11 -0.02 -0.05 0.00 0.41 0.00 0.00 41.25 41.47 3hsk s ASN 248 CO 0.02 0.01 0.46 -0.60 -1.51 0.00 0.00 177.10 175.49 3hsk s ARG 249 N -0.06 4.11 0.23 -0.60 6.06 -0.25 0.27 118.95 128.71 3hsk s ARG 249 Ca 0.00 0.48 0.08 0.00 -2.50 0.00 0.00 55.73 53.80 3hsk s ARG 249 Cb -0.01 -3.29 -0.05 0.00 0.06 0.00 0.00 34.95 31.66 3hsk s ARG 249 CO -0.00 0.51 -0.13 0.14 -2.50 0.00 0.00 175.30 173.32 3hsk s VAL 250 N -0.54 1.79 -1.48 7.11 -7.23 -0.00 -2.41 120.40 117.65 3hsk s VAL 250 Ca 0.25 -2.21 -0.13 0.00 -1.81 0.00 0.00 61.98 58.08 3hsk s VAL 250 Cb -0.17 -2.17 -0.02 0.00 0.56 0.00 0.00 36.38 34.59 3hsk s VAL 250 CO 0.13 -0.51 2.48 -0.81 -0.31 0.00 0.00 175.10 176.09 3hsk n PRO 251 N -0.45 3.08 -4.33 4.82 -0.05 -1.26 -4.41 135.00 132.40 3hsk n PRO 251 Ca -0.07 -2.39 -0.20 0.00 -0.05 0.00 0.00 63.50 60.79 3hsk n PRO 251 Cb 0.61 -3.07 -0.16 0.00 -0.05 0.00 0.00 33.50 30.83 3hsk n PRO 251 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 3hsk s VAL 252 N 2.91 0.71 -0.03 0.52 1.01 -1.26 -5.03 120.40 119.23 3hsk s VAL 252 Ca 0.55 -0.30 -0.23 0.00 0.00 0.00 0.00 61.98 62.00 3hsk s VAL 252 Cb 0.15 -0.64 -0.23 0.00 0.00 0.00 0.00 36.38 35.66 3hsk s VAL 252 CO -0.07 0.23 1.07 0.40 0.00 0.00 0.00 175.10 176.74 3hsk h ILE 253 N 5.53 1.50 -3.51 2.22 2.04 -1.95 0.15 117.51 123.50 3hsk h ILE 253 Ca -0.34 -1.90 -0.29 0.00 1.00 0.00 0.00 64.86 63.33 3hsk h ILE 253 Cb 1.17 2.64 -0.33 0.00 -0.74 0.00 0.00 36.82 39.56 3hsk h ILE 253 CO 0.49 0.53 -0.72 -1.81 0.00 0.00 0.00 178.15 176.64 3hsk s ASP 254 N -6.37 0.05 0.00 1.72 1.01 -1.26 -2.08 116.67 109.75 3hsk s ASP 254 Ca -0.15 0.06 0.00 0.00 0.71 0.00 0.00 52.55 53.17 3hsk s ASP 254 Cb 0.02 -0.04 0.00 0.00 1.01 0.00 0.00 42.92 43.90 3hsk s ASP 254 CO 0.76 -0.13 0.00 0.61 0.21 0.00 0.00 175.17 176.62 3hsk n GLY 255 N 4.14 1.88 3.73 0.21 0.00 -1.26 -4.69 105.19 109.20 3hsk n GLY 255 Ca -0.27 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.38 3hsk n GLY 255 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hsk s HIS 256 N 0.00 3.70 -0.09 1.61 3.76 -1.26 -4.26 115.29 118.75 3hsk s HIS 256 Ca 0.00 1.47 -0.02 0.00 -0.15 0.00 0.00 55.06 56.37 3hsk s HIS 256 Cb 0.00 -2.86 -0.03 0.00 1.11 0.00 0.00 32.58 30.79 3hsk s HIS 256 CO 0.00 0.20 -0.01 0.99 -0.85 0.00 0.00 174.74 175.07 3hsk s THR 257 N 0.23 4.19 -0.07 1.30 2.01 -0.62 -1.28 115.64 121.41 3hsk s THR 257 Ca 0.40 -0.29 0.01 0.00 0.31 0.00 0.00 61.69 62.12 3hsk s THR 257 Cb -0.20 -2.77 0.02 0.00 0.01 0.00 0.00 72.50 69.56 3hsk s THR 257 CO 0.23 0.59 -0.07 -1.61 -0.69 0.00 0.00 174.62 173.07 3hsk s GLU 258 N -0.71 1.21 -0.51 4.92 2.02 0.40 0.46 118.70 126.50 3hsk s GLU 258 Ca 0.11 -0.20 -0.19 0.00 0.02 0.00 0.00 54.97 54.72 3hsk s GLU 258 Cb -0.12 -1.20 0.06 0.00 0.10 0.00 0.00 34.13 32.98 3hsk s GLU 258 CO 0.02 -0.13 0.60 0.00 0.02 0.00 0.00 175.26 175.77 3hsk s ILE 260 N 2.49 3.50 0.01 0.00 -4.36 -0.47 -1.32 121.20 121.05 3hsk s ILE 260 Ca 0.13 -1.61 0.03 0.00 -0.26 0.00 0.00 60.65 58.94 3hsk s ILE 260 Cb -0.20 -2.78 -0.01 0.00 1.25 0.00 0.00 42.46 40.72 3hsk s ILE 260 CO 0.11 -0.17 -0.09 -0.55 0.24 0.00 0.00 174.94 174.48 3hsk s SER 261 N -3.08 1.04 0.01 4.36 0.15 -0.50 -1.96 113.70 113.71 3hsk s SER 261 Ca 0.28 -0.26 -0.10 0.00 0.70 0.00 0.00 55.95 56.56 3hsk s SER 261 Cb -0.08 -0.08 0.01 0.00 -1.71 0.00 0.00 66.02 64.15 3hsk s SER 261 CO 0.18 0.04 0.20 -1.48 1.20 0.00 0.00 173.24 173.38 3hsk s LEU 262 N -0.57 1.30 -0.02 3.45 0.05 0.06 -1.19 118.68 121.75 3hsk s LEU 262 Ca 0.01 -0.16 0.03 0.00 0.05 0.00 0.00 54.13 54.05 3hsk s LEU 262 Cb -0.05 0.92 0.00 0.00 -2.05 0.00 0.00 46.19 45.01 3hsk s LEU 262 CO 0.00 -0.44 -0.09 -0.60 -0.55 0.00 0.00 176.35 174.67 3hsk s ARG 263 N -1.65 0.95 0.23 1.48 3.52 -0.59 -0.15 118.95 122.75 3hsk s ARG 263 Ca -0.12 -0.32 -0.21 0.00 -0.13 0.00 0.00 55.73 54.95 3hsk s ARG 263 Cb -0.05 -0.89 -0.08 0.00 -1.56 0.00 0.00 34.95 32.36 3hsk s ARG 263 CO 0.01 0.14 0.76 -0.06 -0.81 0.00 0.00 175.30 175.34 3hsk s PHE 264 N 0.10 3.66 0.20 5.12 0.40 -1.26 -2.19 117.98 124.01 3hsk s PHE 264 Ca -0.02 1.45 -0.05 0.00 -0.60 0.00 0.00 56.93 57.71 3hsk s PHE 264 Cb -0.08 -2.67 0.14 0.00 0.51 0.00 0.00 43.02 40.93 3hsk s PHE 264 CO 0.00 0.32 1.59 0.00 0.70 0.00 0.00 175.22 177.84 3hsk h ALA 265 N 3.41 0.81 -2.78 5.36 0.00 -1.43 -3.44 119.26 121.19 3hsk h ALA 265 Ca -0.48 -0.41 -0.58 0.00 0.00 0.00 0.00 54.91 53.45 3hsk h ALA 265 Cb 1.19 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 3hsk h ALA 265 CO 0.65 0.65 -0.10 -0.80 0.00 0.00 0.00 179.25 179.64 3hsk s ASN 266 N -6.79 6.85 0.12 0.00 0.01 -1.26 -5.06 114.94 108.81 3hsk s ASN 266 Ca -0.09 1.01 0.04 0.00 -0.71 0.00 0.00 52.86 53.11 3hsk s ASN 266 Cb 0.12 -2.31 -0.04 0.00 0.41 0.00 0.00 41.25 39.44 3hsk s ASN 266 CO 0.84 0.15 0.09 -0.13 -1.51 0.00 0.00 177.10 176.54 3hsk s ARG 267 N -0.25 2.82 0.64 -0.60 1.81 -1.26 -4.33 118.95 117.77 3hsk s ARG 267 Ca 0.27 -0.81 -0.06 0.00 -1.72 0.00 0.00 55.73 53.42 3hsk s ARG 267 Cb -0.17 -2.65 0.03 0.00 -0.45 0.00 0.00 34.95 31.71 3hsk s ARG 267 CO 0.14 0.52 0.94 -1.25 -0.68 0.00 0.00 175.30 174.98 3hsk s PRO 268 N -2.71 2.60 0.48 3.54 0.04 -1.26 -5.11 135.00 132.58 3hsk s PRO 268 Ca 0.29 -0.15 -0.23 0.00 0.04 0.00 0.00 61.00 60.95 3hsk s PRO 268 Cb -0.11 -2.24 -0.08 0.00 0.04 0.00 0.00 34.50 32.11 3hsk s PRO 268 CO 0.22 -0.93 1.17 0.00 0.04 0.00 0.00 177.00 177.50 3hsk n ALA 269 N -2.71 0.88 -0.91 8.56 0.00 -1.26 -5.01 120.51 120.05 3hsk n ALA 269 Ca 0.06 0.18 -0.13 0.00 0.00 0.00 0.00 53.44 53.54 3hsk n ALA 269 Cb 0.59 -2.21 0.18 0.00 0.00 0.00 0.00 19.45 18.01 3hsk n ALA 269 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3hsk n PRO 270 N -0.36 -2.86 -2.92 0.00 -0.04 -1.26 -5.05 135.00 122.51 3hsk n PRO 270 Ca 0.09 -1.18 -0.25 0.00 -0.04 0.00 0.00 63.50 62.12 3hsk n PRO 270 Cb 0.42 -1.19 -0.00 0.00 -0.04 0.00 0.00 33.50 32.69 3hsk n PRO 270 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3hsk s SER 271 N -3.40 6.17 0.27 3.54 1.04 -1.26 -4.96 113.70 115.11 3hsk s SER 271 Ca 0.49 0.66 -0.01 0.00 0.48 0.00 0.00 55.95 57.58 3hsk s SER 271 Cb -0.06 -2.04 0.48 0.00 0.10 0.00 0.00 66.02 64.50 3hsk s SER 271 CO 0.38 -0.53 1.85 0.58 0.98 0.00 0.00 173.24 176.51 3hsk h VAL 272 N 0.40 0.99 -0.33 5.02 2.07 -1.97 -1.43 116.25 121.01 3hsk h VAL 272 Ca -0.48 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 66.56 3hsk h VAL 272 Cb 1.22 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3hsk h VAL 272 CO 0.61 0.19 -0.29 -0.08 0.02 0.00 0.00 177.57 178.02 3hsk h GLU 273 N 1.06 0.70 -0.37 1.57 4.57 -1.97 -0.09 114.58 120.05 3hsk h GLU 273 Ca 0.46 -0.31 -0.01 0.00 -1.18 0.00 0.00 59.36 58.32 3hsk h GLU 273 Cb 0.34 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 3hsk h GLU 273 CO -0.22 0.90 0.18 -0.44 -1.18 0.00 0.00 179.01 178.25 3hsk h ASP 274 N 0.60 0.49 0.18 1.04 3.32 -1.79 0.17 116.42 120.43 3hsk h ASP 274 Ca 0.07 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3hsk h ASP 274 Cb 0.80 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 3hsk h ASP 274 CO 0.07 0.47 -0.19 0.58 -1.72 0.00 0.00 179.24 178.45 3hsk h VAL 275 N 0.47 0.59 -0.48 -1.35 2.07 -1.03 0.26 116.25 116.77 3hsk h VAL 275 Ca 0.13 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.66 3hsk h VAL 275 Cb 0.11 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3hsk h VAL 275 CO -0.02 0.00 0.30 0.11 0.02 0.00 0.00 177.57 177.99 3hsk h LYS 276 N -0.40 0.60 -0.81 1.57 6.56 -0.93 -1.20 116.57 121.95 3hsk h LYS 276 Ca 0.00 -0.04 -0.03 0.00 -1.06 0.00 0.00 60.65 59.53 3hsk h LYS 276 Cb 0.38 -0.13 -0.04 0.00 -0.57 0.00 0.00 32.23 31.87 3hsk h LYS 276 CO -0.05 0.39 0.40 0.37 -2.06 0.00 0.00 179.45 178.50 3hsk h GLN 277 N 0.61 1.16 -0.61 3.15 5.75 -0.52 -1.17 115.11 123.49 3hsk h GLN 277 Ca 0.18 -0.17 0.03 0.00 -0.15 0.00 0.00 58.65 58.54 3hsk h GLN 277 Cb -0.04 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 28.26 3hsk h GLN 277 CO -0.06 0.89 0.37 0.00 -2.65 0.00 0.00 178.83 177.39 3hsk h LEU 279 N 0.74 0.96 -0.59 0.00 3.38 -0.91 -2.90 115.31 115.99 3hsk h LEU 279 Ca 0.24 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3hsk h LEU 279 Cb 0.02 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 3hsk h LEU 279 CO -0.10 1.21 -0.06 0.08 0.09 0.00 0.00 178.44 179.66 3hsk h ARG 280 N 0.74 0.00 0.00 1.13 0.11 -1.12 -3.25 114.38 111.99 3hsk h ARG 280 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 3hsk h ARG 280 Cb 0.95 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.03 3hsk h ARG 280 CO 0.09 0.06 -0.85 0.39 0.10 0.00 0.00 179.97 179.76 3hsk n GLU 281 N -3.13 0.34 -2.01 0.08 1.02 -0.76 -4.96 120.64 111.22 3hsk n GLU 281 Ca 0.02 0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.80 3hsk n GLU 281 Cb 0.46 -1.67 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 3hsk n GLU 281 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3hsk s TYR 282 N -3.21 2.98 -0.16 -0.32 5.04 -1.10 -5.01 117.35 115.57 3hsk s TYR 282 Ca 0.04 0.67 0.01 0.00 -2.44 0.00 0.00 57.07 55.34 3hsk s TYR 282 Cb 0.13 -3.85 0.00 0.00 0.35 0.00 0.00 41.96 38.59 3hsk s TYR 282 CO 0.76 -3.17 -0.17 -2.00 -1.34 0.00 0.00 175.55 169.63 3hsk s GLU 283 N 1.50 3.15 0.65 4.97 2.12 -1.26 -3.81 118.70 126.02 3hsk s GLU 283 Ca 0.69 -0.78 -0.16 0.00 0.36 0.00 0.00 54.97 55.09 3hsk s GLU 283 Cb -0.40 -2.59 -0.00 0.00 0.26 0.00 0.00 34.13 31.40 3hsk s GLU 283 CO 0.31 -0.02 1.13 0.00 -0.54 0.00 0.00 175.26 176.14 3hsk h ALA 285 N 0.15 2.04 -0.11 0.00 0.00 -1.90 -2.07 119.26 117.38 3hsk h ALA 285 Ca -0.47 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 3hsk h ALA 285 Cb 1.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3hsk h ALA 285 CO 0.54 -0.22 -0.34 0.00 0.00 0.00 0.00 179.25 179.23 3hsk h ALA 286 N 1.65 1.22 -0.39 0.00 0.00 -1.92 -1.13 119.26 118.70 3hsk h ALA 286 Ca 0.35 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3hsk h ALA 286 Cb 0.72 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3hsk h ALA 286 CO -0.11 0.52 -0.09 1.03 0.00 0.00 0.00 179.25 180.60 3hsk h SER 287 N 0.20 0.76 0.12 0.00 0.87 -1.62 -2.20 113.55 111.67 3hsk h SER 287 Ca 0.02 -0.36 -0.06 0.00 -1.23 0.00 0.00 61.79 60.16 3hsk h SER 287 Cb 0.70 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 3hsk h SER 287 CO 0.05 0.94 -0.21 0.11 -0.53 0.00 0.00 176.83 177.20 3hsk h LYS 288 N 0.56 0.18 0.00 2.24 1.57 -1.27 -0.65 116.57 119.20 3hsk h LYS 288 Ca 0.10 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3hsk h LYS 288 Cb 0.61 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3hsk h LYS 288 CO 0.04 0.39 0.00 1.28 -0.57 0.00 0.00 179.45 180.59 3hsk n LEU 289 N -4.22 0.17 0.00 2.94 4.77 -0.47 -4.90 117.00 115.29 3hsk n LEU 289 Ca -0.01 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 3hsk n LEU 289 Cb 0.32 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3hsk n LEU 289 CO 0.38 -0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 3hsk n GLY 290 N 0.29 0.53 3.75 -0.72 0.00 -0.25 -5.02 105.19 103.77 3hsk n GLY 290 Ca 0.04 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 3hsk n GLY 290 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hsk h HIS 292 N 3.30 0.88 -0.53 0.00 2.76 -1.95 -2.97 115.15 116.64 3hsk h HIS 292 Ca -0.49 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 57.58 3hsk h HIS 292 Cb 1.25 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.95 3hsk h HIS 292 CO 0.54 0.76 0.00 0.43 -1.30 0.00 0.00 177.93 178.36 3hsk n SER 293 N -4.25 3.60 -4.74 3.26 7.64 -1.26 -4.97 113.62 112.90 3hsk n SER 293 Ca 0.04 -1.98 -0.40 0.00 1.01 0.00 0.00 58.87 57.53 3hsk n SER 293 Cb 0.25 -0.35 -0.05 0.00 -1.01 0.00 0.00 64.21 63.06 3hsk n SER 293 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hsk s ALA 294 N -1.21 3.33 0.33 -0.43 0.00 -1.13 -4.98 121.76 117.68 3hsk s ALA 294 Ca 0.41 0.41 -0.26 0.00 0.00 0.00 0.00 51.96 52.52 3hsk s ALA 294 Cb 0.23 -3.10 -0.10 0.00 0.00 0.00 0.00 23.12 20.15 3hsk s ALA 294 CO 0.30 0.07 0.97 -1.25 0.00 0.00 0.00 175.76 175.85 3hsk s PRO 295 N -0.21 4.55 0.01 0.00 0.04 -1.26 -4.86 135.00 133.26 3hsk s PRO 295 Ca 0.41 1.40 -0.08 0.00 0.04 0.00 0.00 61.00 62.77 3hsk s PRO 295 Cb -0.22 -2.82 -0.05 0.00 0.04 0.00 0.00 34.50 31.45 3hsk s PRO 295 CO 0.26 0.23 1.12 1.57 0.04 0.00 0.00 177.00 180.22 3hsk h LYS 296 N 3.19 -0.28 -5.52 4.56 -0.00 -1.96 -3.41 116.57 113.15 3hsk h LYS 296 Ca -0.47 0.02 -0.60 0.00 -0.00 0.00 0.00 60.65 59.60 3hsk h LYS 296 Cb 1.20 0.06 -0.11 0.00 -0.00 0.00 0.00 32.23 33.38 3hsk h LYS 296 CO 0.65 -0.19 -0.04 -0.65 -0.00 0.00 0.00 179.45 179.22 3hsk s GLN 297 N -3.63 4.18 0.31 0.07 -1.52 -1.26 -3.80 119.66 114.01 3hsk s GLN 297 Ca -0.04 0.40 0.23 0.00 -1.95 0.00 0.00 55.36 54.00 3hsk s GLN 297 Cb 0.00 -3.57 0.33 0.00 -0.22 0.00 0.00 33.01 29.55 3hsk s GLN 297 CO 0.13 -0.17 1.46 1.79 -0.25 0.00 0.00 175.29 178.26 3hsk h THR 298 N 5.15 0.00 -3.36 -0.19 1.35 -1.79 -3.42 112.91 110.65 3hsk h THR 298 Ca -0.33 -0.87 -0.57 0.00 -0.55 0.00 0.00 66.41 64.09 3hsk h THR 298 Cb 1.15 1.70 -0.34 0.00 -1.73 0.00 0.00 68.15 68.93 3hsk h THR 298 CO 0.74 0.00 -0.83 -0.63 -0.25 0.00 0.00 175.52 174.54 3hsk s ILE 299 N -3.23 1.43 -0.43 6.82 1.01 -1.26 -1.00 121.20 124.53 3hsk s ILE 299 Ca 0.06 -0.64 -0.12 0.00 0.00 0.00 0.00 60.65 59.95 3hsk s ILE 299 Cb 0.08 -1.28 0.07 0.00 0.01 0.00 0.00 42.46 41.33 3hsk s ILE 299 CO 0.69 0.42 0.30 -2.28 0.00 0.00 0.00 174.94 174.08 3hsk s HIS 300 N 0.68 3.29 -0.05 3.97 2.46 -0.81 -4.65 115.29 120.18 3hsk s HIS 300 Ca -0.14 -1.20 -0.30 0.00 0.47 0.00 0.00 55.06 53.90 3hsk s HIS 300 Cb -0.16 -2.93 -0.03 0.00 -0.13 0.00 0.00 32.58 29.33 3hsk s HIS 300 CO 0.04 -0.79 1.09 0.08 -2.47 0.00 0.00 174.74 172.69 3hsk s VAL 301 N 1.53 4.52 -0.09 0.89 1.01 -1.26 -1.20 120.40 125.79 3hsk s VAL 301 Ca 0.03 1.81 0.02 0.00 0.00 0.00 0.00 61.98 63.84 3hsk s VAL 301 Cb -0.23 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 3hsk s VAL 301 CO 0.05 0.05 -0.14 -0.76 0.00 0.00 0.00 175.10 174.29 3hsk s LEU 302 N 1.77 2.70 0.05 3.92 1.43 -0.02 -4.96 118.68 123.57 3hsk s LEU 302 Ca 0.53 -0.27 0.22 0.00 -1.03 0.00 0.00 54.13 53.58 3hsk s LEU 302 Cb -0.22 -1.58 -0.19 0.00 0.03 0.00 0.00 46.19 44.23 3hsk s LEU 302 CO 0.23 0.25 0.73 0.47 0.23 0.00 0.00 176.35 178.25 3hsk n ASP 303 N 2.94 0.36 -4.73 2.29 8.00 -1.26 -4.08 116.55 120.07 3hsk n ASP 303 Ca -0.18 0.05 -0.42 0.00 0.71 0.00 0.00 54.79 54.96 3hsk n ASP 303 Cb 0.52 1.36 -0.03 0.00 -0.02 0.00 0.00 41.12 42.96 3hsk n ASP 303 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3hsk s GLN 304 N -3.42 4.21 0.09 -1.24 1.11 -1.26 -4.89 119.66 114.26 3hsk s GLN 304 Ca -0.04 2.40 0.14 0.00 0.01 0.00 0.00 55.36 57.86 3hsk s GLN 304 Cb 0.13 -3.12 0.60 0.00 -1.01 0.00 0.00 33.01 29.61 3hsk s GLN 304 CO 0.86 -0.57 1.42 -0.35 0.01 0.00 0.00 175.29 176.66 3hsk n PRO 305 N 3.30 0.06 -0.51 2.91 -0.04 -1.26 -2.46 135.00 137.00 3hsk n PRO 305 Ca 0.11 0.40 0.04 0.00 -0.04 0.00 0.00 63.50 64.01 3hsk n PRO 305 Cb 0.38 -1.63 0.21 0.00 -0.04 0.00 0.00 33.50 32.42 3hsk n PRO 305 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3hsk n ASP 306 N -1.74 2.88 -4.33 3.54 5.75 -1.26 -4.84 116.55 116.55 3hsk n ASP 306 Ca 0.02 -3.38 -0.24 0.00 -0.01 0.00 0.00 54.79 51.18 3hsk n ASP 306 Cb 0.12 -0.55 -0.12 0.00 -1.03 0.00 0.00 41.12 39.54 3hsk n ASP 306 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3hsk s ARG 307 N -3.02 1.26 0.54 0.11 1.81 -1.03 -4.43 118.95 114.18 3hsk s ARG 307 Ca 0.41 -1.31 -0.16 0.00 -1.72 0.00 0.00 55.73 52.94 3hsk s ARG 307 Cb 0.35 -1.48 -0.07 0.00 -0.45 0.00 0.00 34.95 33.30 3hsk s ARG 307 CO 0.03 0.33 1.00 -1.25 -0.68 0.00 0.00 175.30 174.73 3hsk s PRO 308 N -2.33 3.81 -0.06 3.54 0.04 -1.26 -3.71 135.00 135.03 3hsk s PRO 308 Ca 0.12 0.97 0.05 0.00 0.04 0.00 0.00 61.00 62.18 3hsk s PRO 308 Cb -0.08 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 3hsk s PRO 308 CO 0.06 -0.39 -0.22 -0.65 0.04 0.00 0.00 177.00 175.84 3hsk s GLN 309 N -4.20 2.34 0.26 4.56 -0.21 -1.26 -4.97 119.66 116.18 3hsk s GLN 309 Ca 0.59 -0.79 -0.02 0.00 0.02 0.00 0.00 55.36 55.16 3hsk s GLN 309 Cb -0.11 -1.96 0.52 0.00 1.00 0.00 0.00 33.01 32.46 3hsk s GLN 309 CO 0.35 0.30 1.73 -1.35 -2.12 0.00 0.00 175.29 174.20 3hsk h PRO 310 N 6.23 0.46 0.02 2.91 0.11 -1.89 -1.17 132.00 138.67 3hsk h PRO 310 Ca -0.30 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.60 3hsk h PRO 310 Cb 1.18 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 32.20 3hsk h PRO 310 CO 0.47 0.31 -0.69 -0.09 -0.21 0.00 0.00 178.00 177.78 3hsk h ARG 311 N 0.48 0.44 0.00 1.05 2.43 -1.96 -2.71 114.38 114.10 3hsk h ARG 311 Ca 0.45 -0.50 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3hsk h ARG 311 Cb 0.70 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 3hsk h ARG 311 CO -0.42 1.15 -0.51 1.47 -1.51 0.00 0.00 179.97 180.15 3hsk n LEU 312 N -4.15 0.68 -0.56 3.80 -0.00 -1.16 -4.04 117.00 111.57 3hsk n LEU 312 Ca -0.11 0.26 0.05 0.00 -0.00 0.00 0.00 56.01 56.22 3hsk n LEU 312 Cb 0.72 -0.22 0.11 0.00 -0.00 0.00 0.00 43.42 44.04 3hsk n LEU 312 CO 0.48 -0.05 0.55 0.47 -0.00 0.00 0.00 177.39 178.84 3hsk n ASP 313 N -2.06 2.52 0.11 1.45 8.00 -0.45 -4.56 116.55 121.56 3hsk n ASP 313 Ca 0.04 -1.79 -0.13 0.00 0.71 0.00 0.00 54.79 53.62 3hsk n ASP 313 Cb 0.43 -0.14 -0.08 0.00 -0.02 0.00 0.00 41.12 41.30 3hsk n ASP 313 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3hsk h ARG 314 N 2.06 -0.26 0.00 -1.24 -0.00 -1.62 -3.03 114.38 110.29 3hsk h ARG 314 Ca 0.00 0.02 -0.04 0.00 -0.50 0.00 0.00 59.98 59.46 3hsk h ARG 314 Cb 0.62 0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.65 3hsk h ARG 314 CO 0.00 0.02 -0.23 -0.44 0.00 0.00 0.00 179.97 179.33 3hsk h ASP 315 N -0.54 0.00 -0.97 7.04 3.32 -1.85 -3.22 116.42 120.20 3hsk h ASP 315 Ca -0.03 -0.91 0.19 0.00 0.02 0.00 0.00 57.03 56.30 3hsk h ASP 315 Cb 0.41 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.78 3hsk h ASP 315 CO 0.05 1.09 -0.26 -1.14 -1.72 0.00 0.00 179.24 177.25 3hsk n ARG 316 N -4.58 -0.11 -0.73 3.56 0.63 -1.26 -1.12 116.66 113.06 3hsk n ARG 316 Ca -0.14 1.51 0.02 0.00 -0.92 0.00 0.00 57.85 58.32 3hsk n ARG 316 Cb 0.51 -2.25 0.28 0.00 0.45 0.00 0.00 32.46 31.46 3hsk n ARG 316 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3hsk n ASP 317 N -5.55 4.17 0.19 6.15 8.00 -1.15 -4.66 116.55 123.71 3hsk n ASP 317 Ca 0.15 -3.19 0.13 0.00 0.71 0.00 0.00 54.79 52.58 3hsk n ASP 317 Cb 0.47 -0.64 0.67 0.00 -0.02 0.00 0.00 41.12 41.60 3hsk n ASP 317 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3hsk h SER 318 N 2.19 0.00 0.95 -2.24 4.64 -1.13 -0.80 113.55 117.16 3hsk h SER 318 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3hsk h SER 318 Cb 1.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.91 3hsk h SER 318 CO 0.44 0.00 -0.16 0.61 -0.87 0.00 0.00 176.83 176.85 3hsk n GLY 319 N -0.95 -1.47 3.94 -0.77 0.00 -1.26 -4.54 105.19 100.14 3hsk n GLY 319 Ca -0.01 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 3hsk n GLY 319 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hsk s TYR 320 N -3.03 3.48 0.03 1.61 1.51 -0.31 -4.70 117.35 115.95 3hsk s TYR 320 Ca 0.12 0.17 -0.25 0.00 -1.01 0.00 0.00 57.07 56.11 3hsk s TYR 320 Cb 0.17 -1.72 -0.18 0.00 -0.11 0.00 0.00 41.96 40.13 3hsk s TYR 320 CO 0.59 0.46 1.49 0.78 -1.11 0.00 0.00 175.55 177.76 3hsk h GLY 321 N 1.96 -0.02 -4.29 0.71 0.00 -1.31 -3.42 103.07 96.71 3hsk h GLY 321 Ca -0.49 0.01 -0.17 0.00 0.00 0.00 0.00 47.33 46.68 3hsk h GLY 321 CO 0.67 -0.01 -0.70 -1.34 0.00 0.00 0.00 176.54 175.17 3hsk s VAL 322 N -5.17 0.22 -0.11 4.60 -7.23 -0.84 -1.86 120.40 110.01 3hsk s VAL 322 Ca -0.15 -1.27 -0.04 0.00 -1.81 0.00 0.00 61.98 58.71 3hsk s VAL 322 Cb 0.04 -0.78 -0.04 0.00 0.56 0.00 0.00 36.38 36.16 3hsk s VAL 322 CO 0.66 -0.67 0.06 -0.44 -0.31 0.00 0.00 175.10 174.40 3hsk s SER 323 N -2.03 5.67 -0.06 4.85 0.01 0.62 -1.93 113.70 120.83 3hsk s SER 323 Ca -0.06 0.24 0.02 0.00 1.31 0.00 0.00 55.95 57.46 3hsk s SER 323 Cb -0.03 -1.75 0.01 0.00 0.21 0.00 0.00 66.02 64.46 3hsk s SER 323 CO -0.04 0.36 -0.12 -0.69 0.41 0.00 0.00 173.24 173.16 3hsk s VAL 324 N -0.73 1.07 0.29 3.43 1.01 -0.34 0.03 120.40 125.16 3hsk s VAL 324 Ca 0.12 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.68 3hsk s VAL 324 Cb -0.12 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3hsk s VAL 324 CO 0.03 0.34 0.17 -0.83 0.00 0.00 0.00 175.10 174.80 3hsk s GLY 325 N 0.58 2.01 -1.25 4.51 0.00 -0.07 -0.84 107.32 112.27 3hsk s GLY 325 Ca -0.12 -1.78 -0.06 0.00 0.00 0.00 0.00 44.72 42.75 3hsk s GLY 325 CO 0.03 -1.55 0.36 0.54 0.00 0.00 0.00 173.10 172.48 3hsk n ARG 326 N -0.55 -3.28 -1.89 2.90 1.74 -1.24 -1.19 116.66 113.15 3hsk n ARG 326 Ca 0.02 0.57 -0.42 0.00 -0.77 0.00 0.00 57.85 57.25 3hsk n ARG 326 Cb 0.65 -5.27 -0.03 0.00 -1.02 0.00 0.00 32.46 26.79 3hsk n ARG 326 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3hsk s ILE 327 N -2.87 3.26 0.20 0.55 1.01 -1.26 -4.28 121.20 117.81 3hsk s ILE 327 Ca 0.27 0.45 -0.20 0.00 0.00 0.00 0.00 60.65 61.17 3hsk s ILE 327 Cb -0.14 -3.29 0.04 0.00 0.01 0.00 0.00 42.46 39.08 3hsk s ILE 327 CO 0.33 -0.03 0.59 0.00 0.00 0.00 0.00 174.94 175.83 3hsk s ARG 328 N 3.70 1.42 0.39 2.79 1.70 -0.62 -5.02 118.95 123.31 3hsk s ARG 328 Ca 0.77 -0.75 -0.27 0.00 -0.47 0.00 0.00 55.73 55.01 3hsk s ARG 328 Cb -0.38 0.56 -0.09 0.00 -0.57 0.00 0.00 34.95 34.47 3hsk s ARG 328 CO 0.34 -0.62 1.35 -2.00 -1.08 0.00 0.00 175.30 173.29 3hsk s GLU 329 N -3.84 4.04 0.27 3.89 2.12 -1.26 -1.23 118.70 122.68 3hsk s GLU 329 Ca 0.07 2.28 0.06 0.00 0.36 0.00 0.00 54.97 57.74 3hsk s GLU 329 Cb -0.02 -2.85 -0.03 0.00 0.26 0.00 0.00 34.13 31.49 3hsk s GLU 329 CO -0.04 -0.48 0.33 0.34 -0.54 0.00 0.00 175.26 174.87 3hsk s ASP 330 N -0.55 5.97 0.06 -1.70 2.15 0.83 -4.62 116.67 118.81 3hsk s ASP 330 Ca 0.55 -0.11 0.22 0.00 0.43 0.00 0.00 52.55 53.65 3hsk s ASP 330 Cb -0.41 -1.55 -0.17 0.00 -0.30 0.00 0.00 42.92 40.49 3hsk s ASP 330 CO 0.53 -0.15 0.76 -1.20 -0.17 0.00 0.00 175.17 174.94 3hsk n SER 331 N -1.39 0.41 -0.02 -0.34 7.64 -1.26 -4.63 113.62 114.02 3hsk n SER 331 Ca -0.06 0.04 -0.06 0.00 1.01 0.00 0.00 58.87 59.80 3hsk n SER 331 Cb 0.58 1.27 -0.02 0.00 -1.01 0.00 0.00 64.21 65.03 3hsk n SER 331 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3hsk n LEU 332 N -2.33 0.56 0.00 -3.43 7.94 -1.26 -5.06 117.00 113.43 3hsk n LEU 332 Ca -0.02 0.09 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 3hsk n LEU 332 Cb 0.53 -0.22 0.00 0.00 0.53 0.00 0.00 43.42 44.27 3hsk n LEU 332 CO 0.43 -0.00 0.00 0.18 -1.11 0.00 0.00 177.39 176.89 3hsk n LEU 333 N -3.34 0.00 -0.10 -1.96 4.77 -1.26 -5.08 117.00 110.03 3hsk n LEU 333 Ca -0.10 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.67 3hsk n LEU 333 Cb 0.51 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.48 3hsk n LEU 333 CO 0.01 0.00 -0.39 0.44 -1.33 0.00 0.00 177.39 176.12 3hsk h ASP 334 N 0.00 0.00 -4.64 -1.43 3.32 -0.82 -3.37 116.42 109.48 3hsk h ASP 334 Ca 0.00 -0.58 -0.24 0.00 0.02 0.00 0.00 57.03 56.23 3hsk h ASP 334 Cb 0.00 -0.00 -0.23 0.00 0.22 0.00 0.00 39.33 39.32 3hsk h ASP 334 CO 0.00 1.42 -0.72 -0.36 -1.72 0.00 0.00 179.24 177.86 3hsk s PHE 335 N -2.34 0.46 0.15 4.55 0.08 -0.67 -0.12 117.98 120.08 3hsk s PHE 335 Ca -0.27 -0.42 0.08 0.00 0.12 0.00 0.00 56.93 56.44 3hsk s PHE 335 Cb 0.05 -0.29 -0.04 0.00 -0.57 0.00 0.00 43.02 42.17 3hsk s PHE 335 CO 0.61 -0.10 -0.18 -1.59 -0.10 0.00 0.00 175.22 173.86 3hsk s LYS 336 N -1.22 1.20 0.21 0.44 -2.85 -0.37 -0.76 119.74 116.38 3hsk s LYS 336 Ca -0.10 -1.33 -0.23 0.00 -1.00 0.00 0.00 55.97 53.31 3hsk s LYS 336 Cb -0.08 -1.26 0.04 0.00 -2.06 0.00 0.00 37.83 34.47 3hsk s LYS 336 CO -0.00 0.26 0.84 0.00 0.10 0.00 0.00 175.35 176.55 3hsk s MET 337 N -2.61 1.47 -0.11 1.78 0.23 -0.83 -1.60 119.30 117.63 3hsk s MET 337 Ca 0.13 -0.80 0.03 0.00 -1.03 0.00 0.00 55.69 54.02 3hsk s MET 337 Cb -0.06 0.51 0.00 0.00 -1.53 0.00 0.00 34.83 33.74 3hsk s MET 337 CO 0.05 -0.67 -0.22 0.08 -2.03 0.00 0.00 175.02 172.23 3hsk s VAL 338 N -3.59 2.17 -0.13 5.16 1.01 -0.33 -1.37 120.40 123.33 3hsk s VAL 338 Ca 0.11 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.14 3hsk s VAL 338 Cb -0.03 -1.84 -0.00 0.00 0.00 0.00 0.00 36.38 34.50 3hsk s VAL 338 CO 0.04 0.55 -0.18 -0.69 0.00 0.00 0.00 175.10 174.82 3hsk s VAL 339 N 0.44 2.55 -0.25 2.92 1.01 0.33 -0.89 120.40 126.50 3hsk s VAL 339 Ca -0.16 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 3hsk s VAL 339 Cb -0.17 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.17 3hsk s VAL 339 CO 0.07 0.53 -0.00 -0.22 0.00 0.00 0.00 175.10 175.48 3hsk s LEU 340 N 0.52 3.28 0.56 3.92 2.96 0.10 -0.45 118.68 129.58 3hsk s LEU 340 Ca -0.12 -0.60 -0.16 0.00 -0.22 0.00 0.00 54.13 53.03 3hsk s LEU 340 Cb -0.16 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.70 3hsk s LEU 340 CO 0.04 -0.10 1.03 -0.94 -1.32 0.00 0.00 176.35 175.07 3hsk s SER 341 N 1.45 6.10 -0.20 3.68 1.04 -0.40 -0.28 113.70 125.08 3hsk s SER 341 Ca 0.03 1.74 0.01 0.00 0.48 0.00 0.00 55.95 58.22 3hsk s SER 341 Cb -0.16 -2.53 0.04 0.00 0.10 0.00 0.00 66.02 63.48 3hsk s SER 341 CO -0.02 -0.95 -0.11 -1.00 0.98 0.00 0.00 173.24 172.15 3hsk s HIS 342 N -2.47 2.49 0.44 5.02 0.09 -0.78 -4.34 115.29 115.74 3hsk s HIS 342 Ca 0.62 -1.65 0.11 0.00 -0.00 0.00 0.00 55.06 54.15 3hsk s HIS 342 Cb -0.14 -1.67 1.00 0.00 -0.00 0.00 0.00 32.58 31.77 3hsk s HIS 342 CO 0.34 -0.76 2.05 -0.97 -0.00 0.00 0.00 174.74 175.41 3hsk h ASN 343 N 7.96 0.33 -0.80 1.40 -1.24 -1.92 -1.76 115.58 119.56 3hsk h ASN 343 Ca -0.28 -0.00 0.09 0.00 0.71 0.00 0.00 56.30 56.82 3hsk h ASN 343 Cb 1.10 -0.08 -0.05 0.00 0.73 0.00 0.00 38.32 40.01 3hsk h ASN 343 CO 0.48 0.23 0.52 0.71 -1.29 0.00 0.00 177.43 178.08 3hsk h THR 344 N 0.39 0.97 0.00 -3.57 1.35 -1.92 -0.36 112.91 109.76 3hsk h THR 344 Ca 0.16 -0.26 -0.29 0.00 -0.55 0.00 0.00 66.41 65.46 3hsk h THR 344 Cb 0.14 0.14 -0.04 0.00 -1.73 0.00 0.00 68.15 66.66 3hsk h THR 344 CO -0.04 0.14 -1.96 -0.38 -0.25 0.00 0.00 175.52 173.03 3hsk n ILE 345 N -4.50 1.46 0.18 6.82 2.08 -0.96 -4.41 119.36 120.02 3hsk n ILE 345 Ca 0.13 -0.19 0.12 0.00 0.56 0.00 0.00 62.75 63.36 3hsk n ILE 345 Cb 0.30 -2.01 0.23 0.00 -0.75 0.00 0.00 39.64 37.41 3hsk n ILE 345 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 3hsk n ILE 346 N -4.26 0.59 -1.63 1.39 -5.35 -0.70 -3.11 119.36 106.29 3hsk n ILE 346 Ca -0.39 -0.80 -0.32 0.00 -0.27 0.00 0.00 62.75 60.98 3hsk n ILE 346 Cb 0.74 0.90 0.05 0.00 -1.74 0.00 0.00 39.64 39.59 3hsk n ILE 346 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3hsk s GLY 347 N -1.38 1.86 0.25 3.28 0.00 -0.15 -4.36 107.32 106.82 3hsk s GLY 347 Ca 0.39 0.28 -0.07 0.00 0.00 0.00 0.00 44.72 45.33 3hsk s GLY 347 CO 0.31 0.61 1.63 0.00 0.00 0.00 0.00 173.10 175.65 3hsk h ALA 348 N -0.44 0.76 -0.12 3.20 0.00 -1.83 0.41 119.26 121.24 3hsk h ALA 348 Ca -0.45 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3hsk h ALA 348 Cb 1.22 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 3hsk h ALA 348 CO 0.55 -0.43 0.02 0.00 0.00 0.00 0.00 179.25 179.39 3hsk h ALA 349 N 1.73 0.16 -0.58 0.00 0.00 -1.89 0.30 119.26 118.99 3hsk h ALA 349 Ca 0.42 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 3hsk h ALA 349 Cb 0.73 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3hsk h ALA 349 CO -0.70 -0.19 -0.04 0.78 0.00 0.00 0.00 179.25 179.10 3hsk h GLY 350 N -0.03 1.13 1.04 0.00 0.00 -1.50 -2.27 103.07 101.44 3hsk h GLY 350 Ca 0.04 -0.86 -0.08 0.00 0.00 0.00 0.00 47.33 46.43 3hsk h GLY 350 CO 0.00 0.79 0.05 0.00 0.00 0.00 0.00 176.54 177.38 3hsk h ALA 351 N 0.99 0.77 -0.45 3.60 0.00 -0.17 -2.80 119.26 121.21 3hsk h ALA 351 Ca 0.16 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3hsk h ALA 351 Cb 0.60 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3hsk h ALA 351 CO 0.04 0.56 0.27 0.78 0.00 0.00 0.00 179.25 180.90 3hsk h GLY 352 N 0.88 0.63 0.98 0.00 0.00 -0.70 -1.61 103.07 103.25 3hsk h GLY 352 Ca 0.17 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 3hsk h GLY 352 CO 0.02 0.18 0.14 -2.22 0.00 0.00 0.00 176.54 174.66 3hsk h ILE 353 N 0.55 1.24 -0.63 2.60 5.03 -1.40 -2.56 117.51 122.34 3hsk h ILE 353 Ca 0.18 -0.83 -0.04 0.00 -0.12 0.00 0.00 64.86 64.04 3hsk h ILE 353 Cb -0.00 0.80 -0.03 0.00 -3.03 0.00 0.00 36.82 34.56 3hsk h ILE 353 CO -0.07 0.30 0.24 0.25 -0.68 0.00 0.00 178.15 178.19 3hsk h LEU 354 N 0.71 0.88 -0.64 1.44 5.85 -1.29 -0.75 115.31 121.51 3hsk h LEU 354 Ca 0.16 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.77 3hsk h LEU 354 Cb 0.32 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 3hsk h LEU 354 CO -0.00 0.82 0.34 0.40 -0.34 0.00 0.00 178.44 179.66 3hsk h ILE 355 N 0.88 0.93 -0.39 4.05 2.04 -1.19 0.40 117.51 124.23 3hsk h ILE 355 Ca 0.21 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 3hsk h ILE 355 Cb 0.23 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 3hsk h ILE 355 CO -0.01 0.11 -0.02 0.00 0.00 0.00 0.00 178.15 178.23 3hsk h ALA 356 N 1.35 1.23 -0.40 1.87 0.00 -1.00 0.11 119.26 122.42 3hsk h ALA 356 Ca 0.30 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3hsk h ALA 356 Cb 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3hsk h ALA 356 CO -0.20 0.51 -0.02 0.93 0.00 0.00 0.00 179.25 180.46 3hsk h GLU 357 N 0.60 0.72 -0.81 0.00 5.08 -0.52 0.19 114.58 119.84 3hsk h GLU 357 Ca 0.12 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3hsk h GLU 357 Cb 0.41 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 3hsk h GLU 357 CO 0.02 0.82 0.50 0.82 -1.00 0.00 0.00 179.01 180.17 3hsk h ILE 358 N 0.55 1.22 -0.52 3.13 2.04 -0.55 0.32 117.51 123.70 3hsk h ILE 358 Ca 0.11 -0.47 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 3hsk h ILE 358 Cb 0.51 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3hsk h ILE 358 CO 0.03 0.23 0.05 -0.07 0.00 0.00 0.00 178.15 178.38 3hsk h LEU 359 N 1.10 0.80 0.68 1.44 3.38 -0.59 -3.24 115.31 118.88 3hsk h LEU 359 Ca 0.29 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3hsk h LEU 359 Cb -0.06 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.48 3hsk h LEU 359 CO -0.06 0.83 -0.33 0.50 0.09 0.00 0.00 178.44 179.48 3hsk h LYS 360 N 0.79 -0.89 -7.20 1.13 1.63 0.03 0.03 116.57 112.09 3hsk h LYS 360 Ca 0.16 0.06 -0.53 0.00 -0.85 0.00 0.00 60.65 59.49 3hsk h LYS 360 Cb 0.40 0.20 0.15 0.00 -0.60 0.00 0.00 32.23 32.39 3hsk h LYS 360 CO 0.01 -0.56 0.36 0.00 -3.45 0.00 0.00 179.45 175.82 3hsk s ALA 361 N -5.47 2.09 0.00 5.00 0.00 0.04 -2.13 121.76 121.30 3hsk s ALA 361 Ca -0.16 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.56 3hsk s ALA 361 Cb 0.02 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3hsk s ALA 361 CO 0.54 -1.90 0.00 1.63 0.00 0.00 0.00 175.76 176.03 3hsk n LYS 362 N -2.91 0.00 -3.81 0.00 5.02 -1.26 -4.40 118.16 110.81 3hsk n LYS 362 Ca 0.13 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.17 3hsk n LYS 362 Cb 0.51 -3.40 0.01 0.00 -0.02 0.00 0.00 35.03 32.12 3hsk n LYS 362 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hsk n ASN 363 N 0.00 -1.47 -0.08 4.39 3.02 -0.91 -4.89 115.26 115.33 3hsk n ASN 363 Ca 0.00 -0.94 -0.05 0.00 -0.03 0.00 0.00 54.58 53.56 3hsk n ASN 363 Cb 0.00 -3.50 -0.16 0.00 -0.61 0.00 0.00 39.78 35.51 3hsk n ASN 363 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3hsk n ILE 364 N -4.30 1.04 -0.01 2.41 5.41 -0.01 -5.02 119.36 118.87 3hsk n ILE 364 Ca -0.27 -0.76 0.00 0.00 1.00 0.00 0.00 62.75 62.71 3hsk n ILE 364 Cb 0.67 -0.35 0.00 0.00 -0.71 0.00 0.00 39.64 39.25 3hsk n ILE 364 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85