#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6a h THR 88 N 0.00 1.28 -2.24 2.62 2.02 -2.04 -3.34 112.91 111.22 1i6a h THR 88 Ca 0.00 -1.71 -0.69 0.00 0.77 0.00 0.00 66.41 64.78 1i6a h THR 88 Cb 0.00 1.61 -0.35 0.00 -1.74 0.00 0.00 68.15 67.67 1i6a h THR 88 CO 0.00 0.55 0.15 0.23 0.37 0.00 0.00 175.52 176.82 1i6a n MET 89 N -4.01 4.21 -4.39 6.66 2.81 -1.26 -4.81 117.12 116.34 1i6a n MET 89 Ca -0.04 -4.73 -0.20 0.00 -1.81 0.00 0.00 57.70 50.93 1i6a n MET 89 Cb 0.61 -2.34 -0.10 0.00 -0.71 0.00 0.00 33.22 30.67 1i6a n MET 89 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1i6a s SER 90 N -2.47 2.49 0.00 7.83 0.01 -1.26 -3.25 113.70 117.06 1i6a s SER 90 Ca 0.45 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.54 1i6a s SER 90 Cb 0.25 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.36 1i6a s SER 90 CO -0.15 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 173.76 1i6a n GLY 91 N -0.50 -1.26 3.78 3.44 0.00 -1.01 -4.86 105.19 104.78 1i6a n GLY 91 Ca -0.06 -1.58 -0.34 0.00 0.00 0.00 0.00 46.02 44.04 1i6a n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i6a s PRO 92 N -1.24 3.23 -0.10 1.61 0.04 -1.26 -1.46 135.00 135.82 1i6a s PRO 92 Ca 0.00 1.44 -0.04 0.00 0.04 0.00 0.00 61.00 62.44 1i6a s PRO 92 Cb 0.00 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.59 1i6a s PRO 92 CO 0.00 -0.92 0.22 -1.17 0.04 0.00 0.00 177.00 175.18 1i6a s LEU 93 N -4.21 0.13 -0.36 -3.56 2.96 -0.23 -4.88 118.68 108.53 1i6a s LEU 93 Ca 0.69 0.49 -0.12 0.00 -0.22 0.00 0.00 54.13 54.96 1i6a s LEU 93 Cb -0.21 0.60 0.00 0.00 0.50 0.00 0.00 46.19 47.08 1i6a s LEU 93 CO 0.32 -0.20 0.23 -1.00 -1.32 0.00 0.00 176.35 174.38 1i6a s HIS 94 N 1.81 3.22 -0.10 5.38 3.76 -1.26 -1.04 115.29 127.07 1i6a s HIS 94 Ca -0.04 -0.49 0.01 0.00 -0.15 0.00 0.00 55.06 54.39 1i6a s HIS 94 Cb -0.11 -2.47 -0.02 0.00 1.11 0.00 0.00 32.58 31.08 1i6a s HIS 94 CO -0.08 -0.48 -0.11 0.42 -0.85 0.00 0.00 174.74 173.65 1i6a s ILE 95 N 1.66 3.32 -0.00 0.60 1.09 -0.03 -1.26 121.20 126.58 1i6a s ILE 95 Ca 0.05 -0.59 0.01 0.00 -1.10 0.00 0.00 60.65 59.01 1i6a s ILE 95 Cb -0.18 -2.37 -0.04 0.00 -1.06 0.00 0.00 42.46 38.81 1i6a s ILE 95 CO 0.09 0.55 0.03 -0.83 -0.10 0.00 0.00 174.94 174.69 1i6a s GLY 96 N -0.20 1.93 0.00 6.18 0.00 -0.32 -0.72 107.32 114.19 1i6a s GLY 96 Ca 0.01 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.82 1i6a s GLY 96 CO 0.03 -0.79 -0.02 1.08 0.00 0.00 0.00 173.10 173.40 1i6a s LEU 97 N -1.63 2.05 0.59 0.66 2.01 0.33 -0.26 118.68 122.44 1i6a s LEU 97 Ca 0.21 -0.12 -0.16 0.00 0.01 0.00 0.00 54.13 54.07 1i6a s LEU 97 Cb -0.12 -0.02 -0.04 0.00 0.01 0.00 0.00 46.19 46.02 1i6a s LEU 97 CO 0.12 -0.05 1.05 0.27 1.01 0.00 0.00 176.35 178.74 1i6a s ILE 98 N -0.33 3.93 0.50 -0.59 -4.36 -1.13 -2.87 121.20 116.36 1i6a s ILE 98 Ca -0.03 0.90 0.26 0.00 -0.26 0.00 0.00 60.65 61.51 1i6a s ILE 98 Cb -0.02 -3.44 0.43 0.00 1.25 0.00 0.00 42.46 40.68 1i6a s ILE 98 CO -0.00 -0.56 1.91 -0.65 0.24 0.00 0.00 174.94 175.88 1i6a h PRO 99 N 0.43 0.12 -0.11 0.37 0.11 -1.94 -0.77 132.00 130.22 1i6a h PRO 99 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1i6a h PRO 99 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1i6a h PRO 99 CO 0.58 0.08 0.00 0.25 -0.21 0.00 0.00 178.00 178.70 1i6a n THR 100 N -4.37 0.14 0.04 -1.15 -2.24 -1.26 -4.29 114.28 101.14 1i6a n THR 100 Ca 0.16 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1i6a n THR 100 Cb 0.77 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 1i6a n THR 100 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1i6a n VAL 101 N -0.00 0.66 -0.09 2.28 0.31 -0.61 -4.89 118.33 115.99 1i6a n VAL 101 Ca 0.16 0.22 -0.02 0.00 -0.01 0.00 0.00 64.34 64.69 1i6a n VAL 101 Cb 0.26 -1.43 -0.02 0.00 -0.91 0.00 0.00 33.84 31.73 1i6a n VAL 101 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1i6a n GLY 102 N 3.10 -2.34 0.41 2.92 0.00 -0.39 -1.12 105.19 107.76 1i6a n GLY 102 Ca 0.00 0.58 0.21 0.00 0.00 0.00 0.00 46.02 46.81 1i6a n GLY 102 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1i6a h PRO 103 N 0.00 0.21 0.00 1.61 0.11 -1.85 -2.13 132.00 129.96 1i6a h PRO 103 Ca 0.03 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 1i6a h PRO 103 Cb 0.08 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.15 1i6a h PRO 103 CO -0.19 0.14 -1.80 0.66 -0.21 0.00 0.00 178.00 176.60 1i6a n TYR 104 N -4.41 0.20 -0.02 0.65 4.02 -0.76 -4.47 117.16 112.37 1i6a n TYR 104 Ca 0.16 0.06 -0.21 0.00 -0.01 0.00 0.00 57.90 57.90 1i6a n TYR 104 Cb 0.72 -0.59 -0.14 0.00 -0.02 0.00 0.00 39.34 39.31 1i6a n TYR 104 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1i6a n LEU 105 N -2.35 2.59 -0.17 7.72 7.94 -0.28 -4.54 117.00 127.92 1i6a n LEU 105 Ca -0.03 0.20 -0.04 0.00 -1.11 0.00 0.00 56.01 55.04 1i6a n LEU 105 Cb 0.57 -1.09 0.03 0.00 0.53 0.00 0.00 43.42 43.46 1i6a n LEU 105 CO 0.45 0.81 0.71 -0.07 -1.11 0.00 0.00 177.39 178.17 1i6a h LEU 106 N -0.04 -0.74 -2.05 -1.96 3.38 -1.61 -0.26 115.31 112.02 1i6a h LEU 106 Ca -0.43 0.18 0.09 0.00 0.09 0.00 0.00 57.88 57.81 1i6a h LEU 106 Cb 1.95 0.42 -0.01 0.00 0.09 0.00 0.00 40.66 43.11 1i6a h LEU 106 CO 0.04 -0.24 0.36 1.55 0.09 0.00 0.00 178.44 180.25 1i6a h PRO 107 N -0.09 0.00 0.00 1.13 0.13 -1.80 0.09 132.00 131.46 1i6a h PRO 107 Ca 0.24 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.26 1i6a h PRO 107 Cb 0.47 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.58 1i6a h PRO 107 CO -0.58 0.00 -0.92 0.45 -0.23 0.00 0.00 178.00 176.72 1i6a h HIS 108 N 0.00 0.00 0.00 1.56 3.86 -1.30 -3.41 115.15 115.86 1i6a h HIS 108 Ca 0.16 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.31 1i6a h HIS 108 Cb 0.88 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.34 1i6a h HIS 108 CO 0.00 0.43 -1.39 0.44 0.86 0.00 0.00 177.93 178.27 1i6a n ILE 109 N -3.00 0.22 0.09 2.45 -5.35 -0.44 -4.62 119.36 108.70 1i6a n ILE 109 Ca -0.03 -0.22 -0.12 0.00 -0.27 0.00 0.00 62.75 62.11 1i6a n ILE 109 Cb 0.74 -0.22 -0.05 0.00 -1.74 0.00 0.00 39.64 38.37 1i6a n ILE 109 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 1i6a h ILE 110 N 0.00 0.52 -0.86 7.28 1.08 -1.27 -0.10 117.51 124.16 1i6a h ILE 110 Ca -0.09 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.46 1i6a h ILE 110 Cb 0.85 0.52 -0.06 0.00 -3.07 0.00 0.00 36.82 35.07 1i6a h ILE 110 CO 0.00 0.00 0.56 -0.65 -0.69 0.00 0.00 178.15 177.38 1i6a h PRO 111 N -0.37 0.88 -0.32 2.37 0.11 -1.82 -0.52 132.00 132.33 1i6a h PRO 111 Ca 0.04 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.98 1i6a h PRO 111 Cb 0.41 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 1i6a h PRO 111 CO -0.14 0.58 -0.27 1.98 -0.21 0.00 0.00 178.00 179.93 1i6a h MET 112 N 0.90 0.64 -0.18 1.05 1.85 -1.70 -2.57 114.93 114.92 1i6a h MET 112 Ca 0.39 -0.27 -0.16 0.00 -0.61 0.00 0.00 59.70 59.05 1i6a h MET 112 Cb 0.32 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.32 1i6a h MET 112 CO -0.15 0.85 -0.53 -0.07 -0.40 0.00 0.00 176.91 176.60 1i6a h LEU 113 N 0.56 0.58 -1.42 3.39 3.38 0.01 -0.03 115.31 121.77 1i6a h LEU 113 Ca 0.07 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1i6a h LEU 113 Cb 0.75 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1i6a h LEU 113 CO 0.06 1.00 -0.17 0.45 0.09 0.00 0.00 178.44 179.87 1i6a h HIS 114 N 0.41 0.17 0.18 1.13 3.86 -0.98 0.75 115.15 120.68 1i6a h HIS 114 Ca 0.01 -0.02 -0.32 0.00 -1.16 0.00 0.00 60.37 58.88 1i6a h HIS 114 Cb 1.07 -0.05 0.01 0.00 1.06 0.00 0.00 27.41 29.50 1i6a h HIS 114 CO 0.04 0.34 -1.53 1.96 0.86 0.00 0.00 177.93 179.60 1i6a h GLN 115 N 0.16 0.38 0.04 2.45 4.20 -1.20 -3.14 115.11 118.00 1i6a h GLN 115 Ca 0.03 -0.66 -0.23 0.00 0.06 0.00 0.00 58.65 57.86 1i6a h GLN 115 Cb 0.41 0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 1i6a h GLN 115 CO 0.03 1.29 -1.01 1.15 -0.67 0.00 0.00 178.83 179.62 1i6a h THR 116 N 0.10 1.50 -2.36 -0.54 2.02 -0.85 -3.39 112.91 109.39 1i6a h THR 116 Ca -0.26 -2.78 -0.59 0.00 0.77 0.00 0.00 66.41 63.56 1i6a h THR 116 Cb 2.08 2.63 -0.40 0.00 -1.74 0.00 0.00 68.15 70.72 1i6a h THR 116 CO 0.21 0.81 -0.89 0.49 0.37 0.00 0.00 175.52 176.51 1i6a n PHE 117 N -3.61 0.58 0.15 3.16 3.01 0.24 -4.98 117.46 116.00 1i6a n PHE 117 Ca -0.05 -3.67 0.18 0.00 1.01 0.00 0.00 57.45 54.92 1i6a n PHE 117 Cb 0.89 -0.18 0.78 0.00 -0.01 0.00 0.00 39.48 40.95 1i6a n PHE 117 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1i6a h PRO 118 N 4.91 0.00 -0.24 -1.08 0.11 -1.74 -1.95 132.00 132.01 1i6a h PRO 118 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1i6a h PRO 118 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1i6a h PRO 118 CO 0.52 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.94 1i6a n LYS 119 N -3.91 2.34 -3.18 1.05 5.02 -1.26 -4.92 118.16 113.31 1i6a n LYS 119 Ca 0.04 -2.00 -0.39 0.00 -2.02 0.00 0.00 58.31 53.94 1i6a n LYS 119 Cb 0.43 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.90 1i6a n LYS 119 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1i6a s LEU 120 N -1.68 4.40 -0.29 -0.35 2.96 -0.74 -2.40 118.68 120.59 1i6a s LEU 120 Ca 0.35 1.17 -0.03 0.00 -0.22 0.00 0.00 54.13 55.40 1i6a s LEU 120 Cb 0.21 -2.95 0.04 0.00 0.50 0.00 0.00 46.19 43.99 1i6a s LEU 120 CO 0.31 0.07 0.01 -0.70 -1.32 0.00 0.00 176.35 174.71 1i6a s GLU 121 N -0.05 2.65 -0.15 1.98 2.12 -0.53 -4.93 118.70 119.79 1i6a s GLU 121 Ca 0.32 -1.12 -0.10 0.00 0.36 0.00 0.00 54.97 54.43 1i6a s GLU 121 Cb -0.18 -3.19 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 1i6a s GLU 121 CO 0.17 -0.54 0.17 -1.64 -0.54 0.00 0.00 175.26 172.88 1i6a s MET 122 N 1.32 3.89 -0.16 4.30 -1.94 -1.26 -1.06 119.30 124.39 1i6a s MET 122 Ca -0.02 -0.12 0.00 0.00 -1.71 0.00 0.00 55.69 53.84 1i6a s MET 122 Cb -0.19 -3.32 0.00 0.00 2.01 0.00 0.00 34.83 33.34 1i6a s MET 122 CO -0.01 0.50 -0.16 0.71 -0.01 0.00 0.00 175.02 176.05 1i6a s TYR 123 N -0.24 2.78 -0.15 -0.03 1.51 -0.20 -4.96 117.35 116.05 1i6a s TYR 123 Ca 0.13 -1.22 -0.06 0.00 -1.01 0.00 0.00 57.07 54.90 1i6a s TYR 123 Cb -0.12 -1.90 -0.04 0.00 -0.11 0.00 0.00 41.96 39.79 1i6a s TYR 123 CO 0.02 -0.58 0.06 -0.51 -1.11 0.00 0.00 175.55 173.43 1i6a s LEU 124 N 0.98 3.87 -0.02 -1.29 1.43 -1.26 -0.85 118.68 121.55 1i6a s LEU 124 Ca -0.02 0.16 0.05 0.00 -1.03 0.00 0.00 54.13 53.29 1i6a s LEU 124 Cb -0.15 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 1i6a s LEU 124 CO -0.04 0.26 -0.16 -1.00 0.23 0.00 0.00 176.35 175.65 1i6a s HIS 125 N -0.12 1.41 -0.08 0.29 3.76 0.10 -4.97 115.29 115.68 1i6a s HIS 125 Ca 0.07 -0.29 0.04 0.00 -0.15 0.00 0.00 55.06 54.73 1i6a s HIS 125 Cb -0.12 -0.92 0.00 0.00 1.11 0.00 0.00 32.58 32.65 1i6a s HIS 125 CO 0.01 -0.04 -0.20 -1.21 -0.85 0.00 0.00 174.74 172.45 1i6a s GLU 126 N -0.30 2.48 0.14 1.40 2.02 -1.26 -0.51 118.70 122.67 1i6a s GLU 126 Ca 0.05 -0.72 -0.25 0.00 0.02 0.00 0.00 54.97 54.07 1i6a s GLU 126 Cb -0.07 -1.95 0.07 0.00 0.10 0.00 0.00 34.13 32.28 1i6a s GLU 126 CO -0.00 0.16 0.89 0.00 0.02 0.00 0.00 175.26 176.32 1i6a s ALA 127 N 0.36 -1.62 0.66 5.21 0.00 -1.14 -4.96 121.76 120.26 1i6a s ALA 127 Ca -0.15 0.26 -0.16 0.00 0.00 0.00 0.00 51.96 51.92 1i6a s ALA 127 Cb -0.16 0.64 -0.00 0.00 0.00 0.00 0.00 23.12 23.60 1i6a s ALA 127 CO 0.06 -0.96 1.13 -0.65 0.00 0.00 0.00 175.76 175.35 1i6a s GLN 128 N -3.37 2.75 0.26 0.00 -0.21 -1.26 -4.05 119.66 113.78 1i6a s GLN 128 Ca 0.10 1.50 -0.10 0.00 0.02 0.00 0.00 55.36 56.88 1i6a s GLN 128 Cb -0.02 -1.93 0.40 0.00 1.00 0.00 0.00 33.01 32.46 1i6a s GLN 128 CO -0.00 -1.31 1.57 1.15 -2.12 0.00 0.00 175.29 174.58 1i6a h THR 129 N 0.14 0.05 -0.65 -0.19 2.02 -1.95 -1.10 112.91 111.22 1i6a h THR 129 Ca -0.47 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.64 1i6a h THR 129 Cb 1.26 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1i6a h THR 129 CO 0.54 0.00 0.17 1.12 0.37 0.00 0.00 175.52 177.71 1i6a h HIS 130 N -0.00 1.09 -0.52 3.16 2.07 -1.99 -1.39 115.15 117.56 1i6a h HIS 130 Ca 0.44 -0.13 -0.09 0.00 -2.85 0.00 0.00 60.37 57.74 1i6a h HIS 130 Cb 0.68 -0.31 -0.02 0.00 2.57 0.00 0.00 27.41 30.33 1i6a h HIS 130 CO -0.75 0.90 -0.03 1.96 -3.07 0.00 0.00 177.93 176.95 1i6a h GLN 131 N 0.97 0.90 -0.41 5.12 4.20 -1.60 -2.14 115.11 122.15 1i6a h GLN 131 Ca 0.21 -0.27 -0.14 0.00 0.06 0.00 0.00 58.65 58.50 1i6a h GLN 131 Cb 0.35 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1i6a h GLN 131 CO 0.00 0.91 -0.30 -0.07 -0.67 0.00 0.00 178.83 178.70 1i6a h LEU 132 N 0.83 0.93 -0.79 1.46 3.38 -0.99 -1.93 115.31 118.21 1i6a h LEU 132 Ca 0.15 -0.39 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 1i6a h LEU 132 Cb 0.53 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1i6a h LEU 132 CO 0.03 1.16 -0.49 -0.07 0.09 0.00 0.00 178.44 179.15 1i6a h LEU 133 N 0.75 0.00 -0.11 1.67 3.38 -1.18 -1.12 115.31 118.71 1i6a h LEU 133 Ca 0.08 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1i6a h LEU 133 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1i6a h LEU 133 CO 0.08 0.49 -0.32 0.00 0.09 0.00 0.00 178.44 178.78 1i6a h ALA 134 N 1.51 0.19 0.00 1.53 0.00 -1.27 -2.17 119.26 119.04 1i6a h ALA 134 Ca -0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1i6a h ALA 134 Cb 1.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1i6a h ALA 134 CO 0.06 0.23 -0.21 1.96 0.00 0.00 0.00 179.25 181.30 1i6a h GLN 135 N -0.02 0.00 -0.07 0.00 4.20 -1.27 -0.12 115.11 117.84 1i6a h GLN 135 Ca -0.01 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.46 1i6a h GLN 135 Cb 0.94 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.74 1i6a h GLN 135 CO 0.07 0.21 -0.88 1.25 -0.67 0.00 0.00 178.83 178.80 1i6a h LEU 136 N 0.00 0.89 -0.71 1.46 5.85 -1.16 -0.05 115.31 121.60 1i6a h LEU 136 Ca -0.00 -0.69 -0.14 0.00 0.84 0.00 0.00 57.88 57.89 1i6a h LEU 136 Cb 0.61 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1i6a h LEU 136 CO 0.03 1.45 -0.60 -0.78 -0.34 0.00 0.00 178.44 178.20 1i6a h ASP 137 N 0.41 0.17 0.64 1.25 3.58 -0.99 -2.91 116.42 118.57 1i6a h ASP 137 Ca -0.09 -0.10 -0.08 0.00 0.42 0.00 0.00 57.03 57.18 1i6a h ASP 137 Cb 1.53 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.52 1i6a h ASP 137 CO 0.18 0.73 -0.37 0.28 -2.88 0.00 0.00 179.24 177.17 1i6a h SER 138 N 0.11 0.00 0.00 2.28 0.02 -1.04 -3.47 113.55 111.46 1i6a h SER 138 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1i6a h SER 138 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1i6a h SER 138 CO 0.09 0.37 0.00 0.61 -1.14 0.00 0.00 176.83 176.76 1i6a n GLY 139 N -0.05 0.66 0.23 -3.77 0.00 -1.06 -4.97 105.19 96.24 1i6a n GLY 139 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1i6a n GLY 139 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i6a h LYS 140 N 4.08 0.00 -6.07 1.61 1.57 -1.27 -3.44 116.57 113.05 1i6a h LYS 140 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 1i6a h LYS 140 Cb 0.00 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.12 1i6a h LYS 140 CO 0.00 0.17 -0.80 -0.51 -0.57 0.00 0.00 179.45 177.74 1i6a s LEU 141 N -6.64 2.40 -0.13 2.94 1.43 -0.88 -4.94 118.68 112.86 1i6a s LEU 141 Ca 0.01 -0.81 -0.21 0.00 -1.03 0.00 0.00 54.13 52.09 1i6a s LEU 141 Cb 0.10 -0.88 -0.26 0.00 0.03 0.00 0.00 46.19 45.19 1i6a s LEU 141 CO 0.62 0.01 0.57 0.44 0.23 0.00 0.00 176.35 178.21 1i6a h ASP 142 N 3.49 0.22 -5.09 2.29 3.32 -1.48 -3.43 116.42 115.74 1i6a h ASP 142 Ca -0.44 -0.82 -0.05 0.00 0.02 0.00 0.00 57.03 55.75 1i6a h ASP 142 Cb 1.20 -0.07 -0.12 0.00 0.22 0.00 0.00 39.33 40.56 1i6a h ASP 142 CO 0.47 1.42 -0.06 0.00 -1.72 0.00 0.00 179.24 179.36 1i6a s ALA 143 N -2.39 -0.88 0.00 3.45 0.00 -1.17 -4.59 121.76 116.18 1i6a s ALA 143 Ca -0.21 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 51.65 1i6a s ALA 143 Cb 0.03 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.88 1i6a s ALA 143 CO 0.72 -0.68 -0.09 0.08 0.00 0.00 0.00 175.76 175.78 1i6a s VAL 144 N -3.83 0.72 -0.18 0.00 1.01 0.10 -1.17 120.40 117.05 1i6a s VAL 144 Ca 0.05 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 1i6a s VAL 144 Cb 0.01 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 1i6a s VAL 144 CO -0.09 0.13 -0.10 -0.63 0.00 0.00 0.00 175.10 174.41 1i6a s ILE 145 N -0.36 3.07 0.22 2.22 1.01 0.64 0.68 121.20 128.68 1i6a s ILE 145 Ca 0.02 -0.62 -0.08 0.00 0.00 0.00 0.00 60.65 59.98 1i6a s ILE 145 Cb -0.04 -2.35 0.03 0.00 0.01 0.00 0.00 42.46 40.11 1i6a s ILE 145 CO -0.00 0.48 0.43 0.00 0.00 0.00 0.00 174.94 175.84 1i6a n LEU 146 N 4.33 0.00 -4.59 2.97 -0.00 -0.56 -2.82 117.00 116.32 1i6a n LEU 146 Ca -0.19 -1.48 -0.42 0.00 -0.00 0.00 0.00 56.01 53.93 1i6a n LEU 146 Cb 0.51 2.09 -0.05 0.00 -0.00 0.00 0.00 43.42 45.97 1i6a n LEU 146 CO 0.29 -0.47 0.61 0.00 -0.00 0.00 0.00 177.39 177.82 1i6a s ALA 147 N -1.68 3.45 0.04 1.47 0.00 -1.26 -0.45 121.76 123.32 1i6a s ALA 147 Ca 0.10 -0.57 -0.34 0.00 0.00 0.00 0.00 51.96 51.15 1i6a s ALA 147 Cb -0.03 -3.38 -0.13 0.00 0.00 0.00 0.00 23.12 19.59 1i6a s ALA 147 CO 0.07 -1.44 1.73 1.28 0.00 0.00 0.00 175.76 177.40 1i6a n LEU 148 N 6.43 3.26 0.00 0.00 4.77 -0.65 -4.95 117.00 125.87 1i6a n LEU 148 Ca 0.04 1.03 -0.25 0.00 -0.03 0.00 0.00 56.01 56.79 1i6a n LEU 148 Cb 0.48 -1.40 -0.07 0.00 -2.33 0.00 0.00 43.42 40.10 1i6a n LEU 148 CO 0.54 -0.18 -0.16 1.33 -1.33 0.00 0.00 177.39 177.59 1i6a n VAL 149 N 4.28 0.00 -0.05 4.08 0.24 -1.26 -4.87 118.33 120.75 1i6a n VAL 149 Ca 0.20 -2.45 0.06 0.00 -2.04 0.00 0.00 64.34 60.11 1i6a n VAL 149 Cb 0.29 0.92 0.43 0.00 -1.47 0.00 0.00 33.84 34.01 1i6a n VAL 149 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1i6a h LYS 150 N 0.00 0.55 0.00 7.34 3.64 -2.03 -2.31 116.57 123.75 1i6a h LYS 150 Ca -0.31 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1i6a h LYS 150 Cb 1.24 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1i6a h LYS 150 CO 0.49 0.36 0.00 0.39 -2.27 0.00 0.00 179.45 178.43 1i6a n GLU 151 N -4.47 0.04 -0.35 1.90 4.71 -1.26 -2.87 120.64 118.34 1i6a n GLU 151 Ca 0.06 0.22 0.12 0.00 -0.01 0.00 0.00 57.16 57.54 1i6a n GLU 151 Cb 0.16 -1.57 0.31 0.00 -1.01 0.00 0.00 31.44 29.32 1i6a n GLU 151 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1i6a n SER 152 N -1.65 3.89 0.17 1.62 3.41 -0.87 -4.25 113.62 115.95 1i6a n SER 152 Ca 0.04 -2.00 0.13 0.00 -0.26 0.00 0.00 58.87 56.78 1i6a n SER 152 Cb 0.23 -0.46 0.33 0.00 -0.26 0.00 0.00 64.21 64.05 1i6a n SER 152 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1i6a h GLU 153 N 4.22 0.00 0.00 4.33 5.08 -1.65 -2.98 114.58 123.58 1i6a h GLU 153 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i6a h GLU 153 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1i6a h GLU 153 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1i6a n ALA 154 N -1.95 2.58 -4.52 3.43 0.00 -1.26 -4.82 120.51 113.97 1i6a n ALA 154 Ca 0.04 -0.09 -0.28 0.00 0.00 0.00 0.00 53.44 53.11 1i6a n ALA 154 Cb 0.45 -1.23 -0.07 0.00 0.00 0.00 0.00 19.45 18.60 1i6a n ALA 154 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1i6a n PHE 155 N -0.72 0.30 -2.97 0.00 3.01 -1.13 -4.78 117.46 111.18 1i6a n PHE 155 Ca 0.10 -2.60 -0.41 0.00 1.01 0.00 0.00 57.45 55.55 1i6a n PHE 155 Cb 0.05 -0.06 -0.05 0.00 -0.01 0.00 0.00 39.48 39.41 1i6a n PHE 155 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1i6a s ILE 156 N -3.04 4.86 -0.20 4.37 -1.09 -0.64 -4.94 121.20 120.52 1i6a s ILE 156 Ca 0.17 1.34 -0.06 0.00 -2.23 0.00 0.00 60.65 59.87 1i6a s ILE 156 Cb 0.01 -4.08 -0.03 0.00 -1.58 0.00 0.00 42.46 36.78 1i6a s ILE 156 CO 0.12 -0.10 0.04 -1.61 -1.23 0.00 0.00 174.94 172.16 1i6a s GLU 157 N 2.78 3.76 -0.35 2.79 2.02 -1.26 -2.32 118.70 126.11 1i6a s GLU 157 Ca 0.32 -0.45 0.04 0.00 0.02 0.00 0.00 54.97 54.89 1i6a s GLU 157 Cb -0.15 -3.17 0.10 0.00 0.10 0.00 0.00 34.13 31.01 1i6a s GLU 157 CO 0.09 0.08 0.07 0.08 0.02 0.00 0.00 175.26 175.60 1i6a s VAL 158 N 0.87 2.36 0.20 2.63 1.01 -0.02 -4.97 120.40 122.49 1i6a s VAL 158 Ca 0.02 -2.39 -0.33 0.00 0.00 0.00 0.00 61.98 59.29 1i6a s VAL 158 Cb -0.14 -2.73 -0.14 0.00 0.00 0.00 0.00 36.38 33.37 1i6a s VAL 158 CO 0.02 -0.62 1.48 -2.65 0.00 0.00 0.00 175.10 173.34 1i6a n PRO 159 N 4.20 2.06 -0.12 2.72 -0.02 -1.26 -0.99 135.00 141.60 1i6a n PRO 159 Ca 0.04 0.74 -0.25 0.00 -2.02 0.00 0.00 63.50 62.01 1i6a n PRO 159 Cb 0.41 -2.45 -0.08 0.00 -0.02 0.00 0.00 33.50 31.37 1i6a n PRO 159 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1i6a n LEU 160 N 2.73 1.67 -3.53 2.45 4.77 0.62 -4.87 117.00 120.83 1i6a n LEU 160 Ca 0.14 0.29 -0.07 0.00 -0.03 0.00 0.00 56.01 56.34 1i6a n LEU 160 Cb 0.30 -0.69 -0.02 0.00 -2.33 0.00 0.00 43.42 40.68 1i6a n LEU 160 CO 0.63 0.45 0.74 0.72 -1.33 0.00 0.00 177.39 178.60 1i6a s PHE 161 N -2.45 -0.30 -0.21 -1.77 -0.12 -1.08 -4.54 117.98 107.51 1i6a s PHE 161 Ca -0.33 0.17 -0.09 0.00 -0.05 0.00 0.00 56.93 56.63 1i6a s PHE 161 Cb 0.12 0.54 -0.05 0.00 -0.63 0.00 0.00 43.02 43.01 1i6a s PHE 161 CO 0.41 -0.51 0.11 -0.51 -0.05 0.00 0.00 175.22 174.68 1i6a s ASP 162 N -2.47 5.93 -0.25 1.98 1.01 -1.26 -1.10 116.67 120.50 1i6a s ASP 162 Ca 0.06 0.12 -0.04 0.00 0.71 0.00 0.00 52.55 53.40 1i6a s ASP 162 Cb -0.01 -2.04 0.01 0.00 1.01 0.00 0.00 42.92 41.88 1i6a s ASP 162 CO -0.08 0.13 -0.01 -0.70 0.21 0.00 0.00 175.17 174.72 1i6a s GLU 163 N 0.65 3.14 0.97 8.23 2.12 0.13 -4.92 118.70 129.02 1i6a s GLU 163 Ca 0.06 -0.79 -0.12 0.00 0.36 0.00 0.00 54.97 54.48 1i6a s GLU 163 Cb -0.12 -3.11 0.17 0.00 0.26 0.00 0.00 34.13 31.32 1i6a s GLU 163 CO 0.01 -0.33 1.10 -1.25 -0.54 0.00 0.00 175.26 174.25 1i6a s PRO 164 N 1.44 0.69 -0.01 4.30 0.04 -1.26 -1.43 135.00 138.77 1i6a s PRO 164 Ca 0.03 0.55 0.07 0.00 0.04 0.00 0.00 61.00 61.69 1i6a s PRO 164 Cb -0.16 -1.76 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 1i6a s PRO 164 CO -0.02 -2.56 -0.21 -1.64 0.04 0.00 0.00 177.00 172.61 1i6a s MET 165 N -5.00 1.66 0.33 4.56 -1.94 -0.05 -1.37 119.30 117.49 1i6a s MET 165 Ca 0.65 -0.77 0.08 0.00 -1.71 0.00 0.00 55.69 53.94 1i6a s MET 165 Cb -0.18 -1.62 -0.04 0.00 2.01 0.00 0.00 34.83 35.00 1i6a s MET 165 CO 0.57 0.44 0.16 -0.51 -0.01 0.00 0.00 175.02 175.67 1i6a s LEU 166 N -0.56 3.34 -0.04 -0.03 1.02 -0.00 -4.42 118.68 117.99 1i6a s LEU 166 Ca 0.08 -0.68 -0.17 0.00 0.02 0.00 0.00 54.13 53.38 1i6a s LEU 166 Cb -0.08 -1.85 -0.05 0.00 0.02 0.00 0.00 46.19 44.23 1i6a s LEU 166 CO -0.01 -0.26 0.46 -0.22 0.02 0.00 0.00 176.35 176.35 1i6a s LEU 167 N -3.85 4.39 -0.18 1.79 2.96 0.84 -1.25 118.68 123.38 1i6a s LEU 167 Ca 0.37 0.94 0.00 0.00 -0.22 0.00 0.00 54.13 55.22 1i6a s LEU 167 Cb -0.04 -2.68 0.01 0.00 0.50 0.00 0.00 46.19 43.98 1i6a s LEU 167 CO 0.23 0.17 -0.16 0.00 -1.32 0.00 0.00 176.35 175.27 1i6a s ALA 168 N -0.30 2.45 0.07 5.97 0.00 0.15 -1.31 121.76 128.79 1i6a s ALA 168 Ca 0.25 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 51.08 1i6a s ALA 168 Cb -0.16 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 1i6a s ALA 168 CO 0.13 -0.24 -0.06 0.96 0.00 0.00 0.00 175.76 176.55 1i6a s ILE 169 N 1.14 0.55 0.61 0.00 -4.36 -0.74 -1.96 121.20 116.43 1i6a s ILE 169 Ca 0.01 -1.55 -0.16 0.00 -0.26 0.00 0.00 60.65 58.69 1i6a s ILE 169 Cb -0.14 -1.19 -0.03 0.00 1.25 0.00 0.00 42.46 42.35 1i6a s ILE 169 CO -0.06 -0.69 1.08 -0.72 0.24 0.00 0.00 174.94 174.78 1i6a s TYR 170 N -2.72 2.86 0.19 1.37 1.13 -1.26 -0.62 117.35 118.29 1i6a s TYR 170 Ca 0.02 1.53 -0.21 0.00 -1.41 0.00 0.00 57.07 57.00 1i6a s TYR 170 Cb -0.01 -3.08 0.13 0.00 -1.10 0.00 0.00 41.96 37.90 1i6a s TYR 170 CO -0.03 -1.31 1.58 0.93 -2.51 0.00 0.00 175.55 174.21 1i6a h GLU 171 N 0.39 -0.15 -0.72 -3.49 5.08 -1.72 -2.03 114.58 111.95 1i6a h GLU 171 Ca -0.47 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1i6a h GLU 171 Cb 1.23 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1i6a h GLU 171 CO 0.56 -0.10 0.00 -0.25 -1.00 0.00 0.00 179.01 178.23 1i6a n ASP 172 N -5.44 0.72 -4.81 1.42 10.43 -1.26 -4.62 116.55 112.99 1i6a n ASP 172 Ca 0.05 -1.74 -0.35 0.00 2.57 0.00 0.00 54.79 55.31 1i6a n ASP 172 Cb 0.36 -0.36 -0.06 0.00 1.84 0.00 0.00 41.12 42.90 1i6a n ASP 172 CO 0.00 0.00 0.00 -2.28 -1.07 0.00 0.00 177.20 173.85 1i6a s HIS 173 N -1.17 3.55 0.41 1.24 2.46 -0.76 -4.96 115.29 116.06 1i6a s HIS 173 Ca 0.00 1.48 0.18 0.00 0.47 0.00 0.00 55.06 57.20 1i6a s HIS 173 Cb 0.00 -2.71 1.10 0.00 -0.13 0.00 0.00 32.58 30.84 1i6a s HIS 173 CO 0.00 0.19 1.82 -1.35 -2.47 0.00 0.00 174.74 172.93 1i6a h PRO 174 N 2.90 0.38 0.00 2.88 0.11 -1.89 -0.97 132.00 135.41 1i6a h PRO 174 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1i6a h PRO 174 Cb 1.19 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1i6a h PRO 174 CO 0.65 0.25 0.00 0.91 -0.21 0.00 0.00 178.00 179.60 1i6a n TRP 175 N -4.55 0.00 -0.19 0.65 8.01 -1.26 -4.17 117.44 115.94 1i6a n TRP 175 Ca 0.22 0.00 0.30 0.00 -1.31 0.00 0.00 57.50 56.71 1i6a n TRP 175 Cb 0.79 -0.16 0.71 0.00 -2.01 0.00 0.00 31.31 30.63 1i6a n TRP 175 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1i6a h ALA 176 N 3.57 2.82 -0.29 6.99 0.00 -1.43 0.13 119.26 131.05 1i6a h ALA 176 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1i6a h ALA 176 Cb 0.15 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1i6a h ALA 176 CO 0.00 -1.27 0.00 0.09 0.00 0.00 0.00 179.25 178.07 1i6a n ASN 177 N -3.93 3.10 -4.89 0.00 3.02 -1.26 -4.96 115.26 106.35 1i6a n ASN 177 Ca 0.20 -1.95 -0.30 0.00 -0.03 0.00 0.00 54.58 52.51 1i6a n ASN 177 Cb 1.10 -0.18 0.01 0.00 -0.61 0.00 0.00 39.78 40.10 1i6a n ASN 177 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1i6a s ARG 178 N -1.64 3.48 -0.02 3.52 0.52 0.03 -5.00 118.95 119.84 1i6a s ARG 178 Ca 0.36 0.51 0.19 0.00 -0.52 0.00 0.00 55.73 56.27 1i6a s ARG 178 Cb 0.22 -2.18 -0.28 0.00 0.52 0.00 0.00 34.95 33.23 1i6a s ARG 178 CO 0.31 -0.50 0.52 0.39 0.02 0.00 0.00 175.30 176.03 1i6a n GLU 179 N -2.61 0.64 -3.46 3.54 1.02 -1.26 -5.00 120.64 113.51 1i6a n GLU 179 Ca 0.04 -0.13 -0.12 0.00 -0.02 0.00 0.00 57.16 56.93 1i6a n GLU 179 Cb 0.55 -1.44 -0.03 0.00 -0.02 0.00 0.00 31.44 30.50 1i6a n GLU 179 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i6a s ALA 180 N -3.21 -1.69 -0.05 0.62 0.00 -1.26 -4.24 121.76 111.92 1i6a s ALA 180 Ca -0.04 0.77 -0.02 0.00 0.00 0.00 0.00 51.96 52.68 1i6a s ALA 180 Cb 0.13 0.59 0.03 0.00 0.00 0.00 0.00 23.12 23.87 1i6a s ALA 180 CO 0.80 -0.68 0.03 0.08 0.00 0.00 0.00 175.76 175.99 1i6a s VAL 181 N -3.13 0.14 0.40 0.00 1.01 -0.83 -5.00 120.40 112.98 1i6a s VAL 181 Ca 0.00 0.27 -0.26 0.00 0.00 0.00 0.00 61.98 61.99 1i6a s VAL 181 Cb -0.01 -0.34 -0.09 0.00 0.00 0.00 0.00 36.38 35.94 1i6a s VAL 181 CO -0.08 0.22 1.27 -2.16 0.00 0.00 0.00 175.10 174.35 1i6a s PRO 182 N 2.03 4.00 0.35 2.72 0.04 -1.26 -1.70 135.00 141.17 1i6a s PRO 182 Ca 0.04 2.08 0.09 0.00 0.04 0.00 0.00 61.00 63.25 1i6a s PRO 182 Cb -0.12 -2.75 0.81 0.00 0.04 0.00 0.00 34.50 32.48 1i6a s PRO 182 CO -0.04 -0.44 1.85 0.52 0.04 0.00 0.00 177.00 178.93 1i6a h MET 183 N 2.69 0.68 -0.16 4.56 2.86 -1.27 -0.57 114.93 123.73 1i6a h MET 183 Ca -0.49 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.15 1i6a h MET 183 Cb 1.24 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 1i6a h MET 183 CO 0.63 0.45 0.19 0.00 1.06 0.00 0.00 176.91 179.24 1i6a h ALA 184 N 1.60 1.73 0.00 6.32 0.00 -1.85 -1.80 119.26 125.26 1i6a h ALA 184 Ca 0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 1i6a h ALA 184 Cb 0.78 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1i6a h ALA 184 CO -0.23 -0.27 -0.09 -0.44 0.00 0.00 0.00 179.25 178.21 1i6a h ASP 185 N 0.00 0.00 0.09 0.00 5.19 -1.46 -3.09 116.42 117.15 1i6a h ASP 185 Ca 0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1i6a h ASP 185 Cb 0.45 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.96 1i6a h ASP 185 CO -0.00 0.09 0.00 0.18 -3.12 0.00 0.00 179.24 176.39 1i6a n LEU 186 N -3.30 0.00 -4.75 1.55 4.77 -0.68 -4.69 117.00 109.90 1i6a n LEU 186 Ca -0.00 0.42 -0.41 0.00 -0.03 0.00 0.00 56.01 55.98 1i6a n LEU 186 Cb 0.31 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1i6a n LEU 186 CO 0.29 -0.37 1.09 0.00 -1.33 0.00 0.00 177.39 177.07 1i6a s ALA 187 N -2.83 3.61 -1.41 -1.18 0.00 -1.17 -2.53 121.76 116.24 1i6a s ALA 187 Ca 0.02 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1i6a s ALA 187 Cb 0.02 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1i6a s ALA 187 CO 0.05 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.47 1i6a n GLY 188 N 1.82 0.90 3.49 0.00 0.00 0.11 -4.88 105.19 106.64 1i6a n GLY 188 Ca 0.05 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 1i6a n GLY 188 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i6a s GLU 189 N -3.71 1.78 -0.54 1.61 2.56 -1.05 -4.86 118.70 114.48 1i6a s GLU 189 Ca 0.00 -1.34 -0.23 0.00 0.00 0.00 0.00 54.97 53.40 1i6a s GLU 189 Cb 0.00 -2.03 0.05 0.00 2.00 0.00 0.00 34.13 34.15 1i6a s GLU 189 CO 0.00 0.43 0.85 0.21 -0.56 0.00 0.00 175.26 176.19 1i6a s LYS 190 N -2.58 3.27 -0.20 4.30 2.20 -1.26 -0.83 119.74 124.65 1i6a s LYS 190 Ca 0.21 -0.45 -0.13 0.00 -0.36 0.00 0.00 55.97 55.25 1i6a s LYS 190 Cb -0.09 -4.07 -0.05 0.00 -1.51 0.00 0.00 37.83 32.12 1i6a s LYS 190 CO 0.12 -1.41 0.25 -0.51 -0.36 0.00 0.00 175.35 173.44 1i6a s LEU 191 N 3.57 4.18 0.10 5.43 1.02 0.28 -1.78 118.68 131.48 1i6a s LEU 191 Ca 0.26 0.35 -0.17 0.00 0.02 0.00 0.00 54.13 54.59 1i6a s LEU 191 Cb -0.14 -2.28 -0.07 0.00 0.02 0.00 0.00 46.19 43.72 1i6a s LEU 191 CO 0.17 0.06 0.55 -0.76 0.02 0.00 0.00 176.35 176.38 1i6a s LEU 192 N 0.83 4.43 0.18 1.79 1.43 0.03 -0.48 118.68 126.89 1i6a s LEU 192 Ca 0.13 1.15 -0.11 0.00 -1.03 0.00 0.00 54.13 54.27 1i6a s LEU 192 Cb -0.13 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.04 1i6a s LEU 192 CO 0.04 0.20 0.36 0.00 0.23 0.00 0.00 176.35 177.17 1i6a s MET 193 N -1.51 1.23 0.04 1.70 0.23 -1.26 -4.66 119.30 115.07 1i6a s MET 193 Ca 0.33 -1.09 0.05 0.00 -1.03 0.00 0.00 55.69 53.95 1i6a s MET 193 Cb -0.17 0.42 -0.03 0.00 -1.53 0.00 0.00 34.83 33.51 1i6a s MET 193 CO 0.18 -0.48 -0.10 -0.51 -2.03 0.00 0.00 175.02 172.09 1i6a s LEU 194 N -2.94 3.03 0.50 0.18 1.43 -1.26 -3.53 118.68 116.08 1i6a s LEU 194 Ca 0.15 -0.26 0.33 0.00 -1.03 0.00 0.00 54.13 53.32 1i6a s LEU 194 Cb 0.02 -1.77 1.47 0.00 0.03 0.00 0.00 46.19 45.93 1i6a s LEU 194 CO -0.00 0.25 1.98 1.05 0.23 0.00 0.00 176.35 179.85 1i6a h GLU 195 N 4.28 0.00 -4.12 1.70 4.11 -1.69 -3.39 114.58 115.47 1i6a h GLU 195 Ca -0.48 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 58.72 1i6a h GLU 195 Cb 1.16 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.18 1i6a h GLU 195 CO 0.52 0.00 -0.72 0.34 0.07 0.00 0.00 179.01 179.22 1i6a s ASP 196 N -5.19 0.40 -1.40 3.06 2.15 -1.26 -4.89 116.67 109.54 1i6a s ASP 196 Ca 0.00 -0.34 0.00 0.00 0.43 0.00 0.00 52.55 52.64 1i6a s ASP 196 Cb 0.10 0.04 0.00 0.00 -0.30 0.00 0.00 42.92 42.75 1i6a s ASP 196 CO 0.47 -0.16 0.00 0.61 -0.17 0.00 0.00 175.17 175.92 1i6a n GLY 197 N 2.08 1.25 1.10 2.66 0.00 -1.26 -4.80 105.19 106.24 1i6a n GLY 197 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1i6a n GLY 197 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1i6a n HIS 198 N -2.16 -0.15 -1.49 1.61 -0.00 -1.26 -4.78 115.22 106.99 1i6a n HIS 198 Ca -0.13 0.03 -0.39 0.00 0.46 0.00 0.00 57.72 57.69 1i6a n HIS 198 Cb 0.59 0.04 0.03 0.00 -0.12 0.00 0.00 29.99 30.53 1i6a n HIS 198 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1i6a h LEU 200 N 0.43 0.00 -9.77 0.00 3.38 -1.78 -3.47 115.31 104.10 1i6a h LEU 200 Ca -0.45 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 56.91 1i6a h LEU 200 Cb 1.39 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.08 1i6a h LEU 200 CO 0.49 0.93 -0.56 -0.13 0.09 0.00 0.00 178.44 179.26 1i6a s ARG 201 N -2.67 3.07 0.35 1.13 1.81 -1.08 -5.06 118.95 116.50 1i6a s ARG 201 Ca -0.03 -0.66 -0.28 0.00 -1.72 0.00 0.00 55.73 53.03 1i6a s ARG 201 Cb 0.08 -2.81 -0.10 0.00 -0.45 0.00 0.00 34.95 31.68 1i6a s ARG 201 CO 0.82 0.55 1.32 0.16 -0.68 0.00 0.00 175.30 177.47 1i6a s ASP 202 N -2.67 6.64 -0.06 0.23 -4.77 -1.26 -4.85 116.67 109.94 1i6a s ASP 202 Ca 0.31 2.70 0.01 0.00 -3.30 0.00 0.00 52.55 52.27 1i6a s ASP 202 Cb -0.12 -2.65 0.09 0.00 -1.09 0.00 0.00 42.92 39.15 1i6a s ASP 202 CO 0.24 -0.63 1.10 0.00 0.70 0.00 0.00 175.17 176.58 1i6a n GLN 203 N 0.61 1.18 0.00 2.11 6.02 -1.26 -2.99 117.38 123.05 1i6a n GLN 203 Ca 0.01 -0.39 0.11 0.00 -0.01 0.00 0.00 57.00 56.72 1i6a n GLN 203 Cb 0.42 -1.17 0.08 0.00 1.02 0.00 0.00 30.24 30.59 1i6a n GLN 203 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1i6a n ALA 204 N 0.28 4.07 1.19 -1.58 0.00 -1.26 -3.83 120.51 119.37 1i6a n ALA 204 Ca 0.08 -0.48 0.13 0.00 0.00 0.00 0.00 53.44 53.17 1i6a n ALA 204 Cb 0.64 -0.95 0.49 0.00 0.00 0.00 0.00 19.45 19.64 1i6a n ALA 204 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1i6a n MET 205 N -1.36 0.36 0.00 0.00 2.81 -1.16 -4.95 117.12 112.82 1i6a n MET 205 Ca 0.05 -0.14 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 1i6a n MET 205 Cb 0.34 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 1i6a n MET 205 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1i6a n GLY 206 N 1.39 2.04 3.23 3.03 0.00 -1.25 -5.03 105.19 108.59 1i6a n GLY 206 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 1i6a n GLY 206 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1i6a s PHE 207 N -2.33 1.25 -0.21 1.61 -0.12 -1.26 -5.08 117.98 111.83 1i6a s PHE 207 Ca 0.00 -1.35 -0.13 0.00 -0.05 0.00 0.00 56.93 55.40 1i6a s PHE 207 Cb 0.00 -0.63 -0.09 0.00 -0.63 0.00 0.00 43.02 41.67 1i6a s PHE 207 CO 0.00 -0.59 -0.31 0.00 -0.05 0.00 0.00 175.22 174.27 1i6a n PHE 209 N -4.17 0.00 -3.75 0.00 3.01 -1.26 -2.01 117.46 109.28 1i6a n PHE 209 Ca -0.37 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 57.94 1i6a n PHE 209 Cb 0.72 -0.12 -0.15 0.00 -0.01 0.00 0.00 39.48 39.92 1i6a n PHE 209 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1i6a s GLU 210 N -2.06 0.02 0.26 -1.08 2.56 -1.26 -4.95 118.70 112.19 1i6a s GLU 210 Ca -0.05 0.29 -0.01 0.00 0.00 0.00 0.00 54.97 55.21 1i6a s GLU 210 Cb 0.02 -0.23 0.52 0.00 2.00 0.00 0.00 34.13 36.44 1i6a s GLU 210 CO 0.06 -0.18 1.78 0.00 -0.56 0.00 0.00 175.26 176.36 1i6a h ALA 211 N 7.36 1.32 -0.37 6.30 0.00 -1.97 -2.15 119.26 129.75 1i6a h ALA 211 Ca -0.42 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1i6a h ALA 211 Cb 1.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1i6a h ALA 211 CO 0.43 -0.01 0.00 0.41 0.00 0.00 0.00 179.25 180.09 1i6a n GLY 212 N -1.33 1.31 3.90 0.00 0.00 -1.26 -4.91 105.19 102.90 1i6a n GLY 212 Ca 0.17 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 1i6a n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i6a s ALA 213 N -1.62 3.65 -0.93 4.61 0.00 -0.81 0.07 121.76 126.73 1i6a s ALA 213 Ca 0.27 -0.55 -0.18 0.00 0.00 0.00 0.00 51.96 51.50 1i6a s ALA 213 Cb 0.16 -2.28 0.14 0.00 0.00 0.00 0.00 23.12 21.15 1i6a s ALA 213 CO 0.15 0.32 1.10 0.34 0.00 0.00 0.00 175.76 177.67 1i6a s ASP 214 N -3.02 6.66 -0.54 0.00 2.15 -0.01 -4.83 116.67 117.08 1i6a s ASP 214 Ca 0.44 -2.14 -0.24 0.00 0.43 0.00 0.00 52.55 51.04 1i6a s ASP 214 Cb -0.11 -2.38 0.04 0.00 -0.30 0.00 0.00 42.92 40.17 1i6a s ASP 214 CO 0.28 -1.00 0.92 -1.61 -0.17 0.00 0.00 175.17 173.59 1i6a s GLU 215 N 2.40 3.33 0.46 4.34 2.02 -1.26 -0.56 118.70 129.42 1i6a s GLU 215 Ca 0.32 -0.28 -0.24 0.00 0.02 0.00 0.00 54.97 54.79 1i6a s GLU 215 Cb -0.05 -4.05 -0.07 0.00 0.10 0.00 0.00 34.13 30.06 1i6a s GLU 215 CO -0.09 -1.44 1.30 0.34 0.02 0.00 0.00 175.26 175.38 1i6a s ASP 216 N 2.78 5.97 0.00 -0.19 2.15 0.37 -4.96 116.67 122.80 1i6a s ASP 216 Ca 0.30 2.63 0.05 0.00 0.43 0.00 0.00 52.55 55.96 1i6a s ASP 216 Cb -0.13 -2.63 -0.03 0.00 -0.30 0.00 0.00 42.92 39.83 1i6a s ASP 216 CO 0.19 -1.08 0.32 0.35 -0.17 0.00 0.00 175.17 174.78 1i6a n THR 217 N -0.33 0.00 0.25 1.71 -2.24 -1.26 -4.04 114.28 108.37 1i6a n THR 217 Ca 0.06 -0.42 0.11 0.00 -2.27 0.00 0.00 64.05 61.53 1i6a n THR 217 Cb 0.45 1.03 0.68 0.00 -2.10 0.00 0.00 70.33 70.38 1i6a n THR 217 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1i6a h HIS 218 N 0.26 0.00 -0.22 4.78 3.86 -1.93 -2.73 115.15 119.17 1i6a h HIS 218 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1i6a h HIS 218 Cb 0.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.61 1i6a h HIS 218 CO 0.00 0.13 0.00 1.19 0.86 0.00 0.00 177.93 180.11 1i6a n PHE 219 N -3.88 0.62 -0.12 2.45 3.01 -1.26 -4.70 117.46 113.57 1i6a n PHE 219 Ca -0.02 -0.79 0.01 0.00 1.01 0.00 0.00 57.45 57.65 1i6a n PHE 219 Cb 0.22 -0.21 0.29 0.00 -0.01 0.00 0.00 39.48 39.77 1i6a n PHE 219 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1i6a h ARG 220 N 1.42 0.80 -0.90 -1.08 2.43 -1.53 -2.78 114.38 112.74 1i6a h ARG 220 Ca 0.00 -0.08 -0.27 0.00 -0.81 0.00 0.00 59.98 58.82 1i6a h ARG 220 Cb 1.15 -0.17 -0.16 0.00 -0.42 0.00 0.00 29.97 30.38 1i6a h ARG 220 CO 0.12 0.59 0.35 0.00 -1.51 0.00 0.00 179.97 179.52 1i6a n ALA 221 N -2.45 4.48 -2.07 2.80 0.00 -1.26 -1.79 120.51 120.21 1i6a n ALA 221 Ca 0.05 -1.99 0.00 0.00 0.00 0.00 0.00 53.44 51.50 1i6a n ALA 221 Cb 0.09 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1i6a n ALA 221 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1i6a n THR 222 N -0.37 0.00 -3.84 0.00 -2.24 -1.05 -5.08 114.28 101.70 1i6a n THR 222 Ca 0.38 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 62.10 1i6a n THR 222 Cb 1.27 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.49 1i6a n THR 222 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1i6a s SER 223 N -0.68 -0.19 0.14 3.42 1.04 -1.26 -5.04 113.70 111.12 1i6a s SER 223 Ca 0.00 -0.69 -0.17 0.00 0.48 0.00 0.00 55.95 55.57 1i6a s SER 223 Cb 0.00 0.72 -0.01 0.00 0.10 0.00 0.00 66.02 66.83 1i6a s SER 223 CO 0.00 -1.35 1.79 0.25 0.98 0.00 0.00 173.24 174.91 1i6a h LEU 224 N 2.00 0.42 -1.33 2.42 5.85 -1.97 -2.08 115.31 120.62 1i6a h LEU 224 Ca -0.22 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.41 1i6a h LEU 224 Cb 1.25 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1i6a h LEU 224 CO 0.27 0.32 -0.22 -0.33 -0.34 0.00 0.00 178.44 178.14 1i6a h GLU 225 N 0.47 0.17 -0.46 1.25 4.39 -1.97 -0.91 114.58 117.53 1i6a h GLU 225 Ca 0.13 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.71 1i6a h GLU 225 Cb -0.03 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1i6a h GLU 225 CO -0.03 0.39 0.01 1.15 -1.16 0.00 0.00 179.01 179.38 1i6a h THR 226 N 0.16 1.26 0.06 1.13 2.02 -1.88 -1.92 112.91 113.73 1i6a h THR 226 Ca 0.03 -1.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.18 1i6a h THR 226 Cb 0.49 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1i6a h THR 226 CO 0.03 0.36 -0.03 -0.07 0.37 0.00 0.00 175.52 176.18 1i6a h LEU 227 N 0.65 -0.06 -0.65 2.58 4.07 -0.76 -1.33 115.31 119.79 1i6a h LEU 227 Ca 0.13 -0.03 0.11 0.00 0.08 0.00 0.00 57.88 58.17 1i6a h LEU 227 Cb 0.48 0.02 -0.08 0.00 1.08 0.00 0.00 40.66 42.16 1i6a h LEU 227 CO 0.02 -0.01 0.25 -0.09 -1.08 0.00 0.00 178.44 177.52 1i6a h ARG 228 N -0.11 0.41 0.00 1.13 2.43 -1.06 -0.82 114.38 116.36 1i6a h ARG 228 Ca -0.01 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 1i6a h ARG 228 Cb 0.09 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1i6a h ARG 228 CO 0.01 0.27 -0.52 -0.91 -1.51 0.00 0.00 179.97 177.32 1i6a h ASN 229 N 0.42 0.00 0.84 -3.80 2.35 -1.13 -2.63 115.58 111.64 1i6a h ASN 229 Ca 0.34 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.93 1i6a h ASN 229 Cb 0.44 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 1i6a h ASN 229 CO -0.34 0.52 -0.76 0.24 -1.65 0.00 0.00 177.43 175.44 1i6a h MET 230 N 0.00 0.00 -0.44 0.81 2.86 -0.35 -2.23 114.93 115.58 1i6a h MET 230 Ca -0.01 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1i6a h MET 230 Cb 0.97 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 1i6a h MET 230 CO 0.07 0.76 0.15 0.28 1.06 0.00 0.00 176.91 179.23 1i6a h VAL 231 N 0.00 1.21 -0.34 -2.22 2.07 -0.95 -0.85 116.25 115.17 1i6a h VAL 231 Ca -0.01 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 1i6a h VAL 231 Cb 1.39 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1i6a h VAL 231 CO 0.10 0.25 0.13 0.00 0.02 0.00 0.00 177.57 178.07 1i6a h ALA 232 N 1.00 1.60 0.00 1.67 0.00 -1.33 0.11 119.26 122.31 1i6a h ALA 232 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1i6a h ALA 232 Cb 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1i6a h ALA 232 CO -0.01 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.56 1i6a n ALA 233 N -2.48 2.27 -0.81 0.00 0.00 -0.85 -4.89 120.51 113.74 1i6a n ALA 233 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1i6a n ALA 233 Cb 0.14 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1i6a n ALA 233 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i6a n GLY 234 N 0.77 0.52 0.15 0.00 0.00 0.39 -4.96 105.19 102.05 1i6a n GLY 234 Ca 0.13 -0.71 0.13 0.00 0.00 0.00 0.00 46.02 45.57 1i6a n GLY 234 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1i6a h SER 235 N 0.00 0.00 0.00 1.61 0.02 -1.34 -3.49 113.55 110.35 1i6a h SER 235 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1i6a h SER 235 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1i6a h SER 235 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1i6a n GLY 236 N 0.70 -0.53 3.31 -3.77 0.00 -1.26 -4.99 105.19 98.65 1i6a n GLY 236 Ca 0.04 -1.07 -0.16 0.00 0.00 0.00 0.00 46.02 44.82 1i6a n GLY 236 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1i6a s ILE 237 N -3.00 0.51 0.30 -0.61 -4.36 -0.73 -4.47 121.20 108.83 1i6a s ILE 237 Ca 0.00 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.23 1i6a s ILE 237 Cb 0.00 -2.62 0.06 0.00 1.25 0.00 0.00 42.46 41.15 1i6a s ILE 237 CO 0.00 0.00 0.83 1.07 0.24 0.00 0.00 174.94 177.08 1i6a n THR 238 N -0.46 0.00 -4.84 8.37 5.66 -0.83 -0.79 114.28 121.39 1i6a n THR 238 Ca 0.00 -0.78 -0.33 0.00 -3.05 0.00 0.00 64.05 59.89 1i6a n THR 238 Cb 0.66 0.85 -0.13 0.00 -1.55 0.00 0.00 70.33 70.16 1i6a n THR 238 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1i6a s LEU 239 N 0.00 2.78 0.06 1.09 1.43 -1.26 -0.67 118.68 122.11 1i6a s LEU 239 Ca 0.17 -0.20 0.07 0.00 -1.03 0.00 0.00 54.13 53.14 1i6a s LEU 239 Cb -0.04 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 1i6a s LEU 239 CO 0.09 0.31 -0.19 -0.76 0.23 0.00 0.00 176.35 176.03 1i6a s LEU 240 N -0.51 2.21 0.49 1.79 1.43 -0.38 -4.94 118.68 118.76 1i6a s LEU 240 Ca 0.07 -0.55 -0.23 0.00 -1.03 0.00 0.00 54.13 52.39 1i6a s LEU 240 Cb -0.12 -0.83 -0.06 0.00 0.03 0.00 0.00 46.19 45.20 1i6a s LEU 240 CO 0.02 0.09 1.28 -2.84 0.23 0.00 0.00 176.35 175.12 1i6a s PRO 241 N -1.38 3.52 0.27 1.29 0.02 -1.26 -0.82 135.00 136.63 1i6a s PRO 241 Ca 0.05 2.05 -0.01 0.00 0.02 0.00 0.00 61.00 63.11 1i6a s PRO 241 Cb -0.09 -2.40 0.56 0.00 0.02 0.00 0.00 34.50 32.59 1i6a s PRO 241 CO 0.02 -0.82 1.74 0.00 -0.33 0.00 0.00 177.00 177.61 1i6a h ALA 242 N 1.90 1.27 -0.01 -1.55 0.00 -1.54 -0.78 119.26 118.55 1i6a h ALA 242 Ca -0.50 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1i6a h ALA 242 Cb 1.27 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1i6a h ALA 242 CO 0.59 -0.17 0.03 -0.07 0.00 0.00 0.00 179.25 179.63 1i6a h LEU 243 N 0.54 0.00 -1.42 0.00 3.38 -1.91 -1.22 115.31 114.68 1i6a h LEU 243 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 1i6a h LEU 243 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1i6a h LEU 243 CO -0.41 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.12 1i6a n ALA 244 N -2.13 2.50 -2.72 1.53 0.00 -0.30 -4.86 120.51 114.53 1i6a n ALA 244 Ca -0.03 -0.63 -0.36 0.00 0.00 0.00 0.00 53.44 52.42 1i6a n ALA 244 Cb 0.10 -1.03 -0.07 0.00 0.00 0.00 0.00 19.45 18.45 1i6a n ALA 244 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1i6a s VAL 245 N -1.78 5.31 0.94 0.00 1.01 -0.46 -4.98 120.40 120.44 1i6a s VAL 245 Ca 0.34 0.54 -0.11 0.00 0.00 0.00 0.00 61.98 62.75 1i6a s VAL 245 Cb 0.19 -3.63 0.16 0.00 0.00 0.00 0.00 36.38 33.11 1i6a s VAL 245 CO 0.29 0.40 1.10 -2.16 0.00 0.00 0.00 175.10 174.73 1i6a s PRO 246 N 0.43 0.83 0.49 2.72 0.04 -1.26 -4.92 135.00 133.34 1i6a s PRO 246 Ca 0.16 1.22 0.15 0.00 0.04 0.00 0.00 61.00 62.57 1i6a s PRO 246 Cb -0.13 -1.73 1.18 0.00 0.04 0.00 0.00 34.50 33.86 1i6a s PRO 246 CO 0.04 -2.65 2.11 -1.35 0.04 0.00 0.00 177.00 175.19 1i6a h PRO 247 N -1.87 0.13 -6.98 0.56 0.11 -1.99 -3.43 132.00 118.54 1i6a h PRO 247 Ca -0.48 -0.01 -0.49 0.00 0.11 0.00 0.00 66.00 65.13 1i6a h PRO 247 Cb 1.28 -0.03 0.03 0.00 0.11 0.00 0.00 31.00 32.39 1i6a h PRO 247 CO 0.47 0.09 0.17 -1.21 -0.21 0.00 0.00 178.00 177.31 1i6a s GLU 248 N -5.17 3.66 0.18 1.05 8.01 -1.26 -4.99 118.70 120.18 1i6a s GLU 248 Ca -0.06 0.42 0.02 0.00 0.01 0.00 0.00 54.97 55.37 1i6a s GLU 248 Cb 0.17 -2.32 0.05 0.00 -4.31 0.00 0.00 34.13 27.72 1i6a s GLU 248 CO 0.69 -0.20 1.42 -0.09 0.01 0.00 0.00 175.26 177.09 1i6a h ARG 249 N 0.56 0.23 -4.55 1.61 2.43 -1.88 -3.44 114.38 109.34 1i6a h ARG 249 Ca -0.47 -0.22 -0.51 0.00 -0.81 0.00 0.00 59.98 57.97 1i6a h ARG 249 Cb 1.19 0.06 -0.33 0.00 -0.42 0.00 0.00 29.97 30.47 1i6a h ARG 249 CO 0.62 0.92 -0.81 0.21 -1.51 0.00 0.00 179.97 179.40 1i6a s LYS 250 N -3.36 1.71 -0.23 0.20 2.20 -1.26 -0.28 119.74 118.71 1i6a s LYS 250 Ca -0.03 -0.42 -0.18 0.00 -0.36 0.00 0.00 55.97 54.98 1i6a s LYS 250 Cb 0.10 -1.41 0.06 0.00 -1.51 0.00 0.00 37.83 35.08 1i6a s LYS 250 CO 0.82 0.03 0.60 0.50 -0.36 0.00 0.00 175.35 176.94 1i6a s ARG 251 N 0.66 0.66 -1.53 4.03 3.52 0.16 -4.95 118.95 121.51 1i6a s ARG 251 Ca -0.15 0.92 -0.16 0.00 -0.13 0.00 0.00 55.73 56.21 1i6a s ARG 251 Cb -0.16 0.25 0.13 0.00 -1.56 0.00 0.00 34.95 33.61 1i6a s ARG 251 CO 0.04 -0.11 0.68 -0.25 -0.81 0.00 0.00 175.30 174.85 1i6a n ASP 252 N 3.29 -3.37 0.00 -2.12 8.00 -1.26 -1.06 116.55 120.03 1i6a n ASP 252 Ca -0.16 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1i6a n ASP 252 Cb 0.56 -2.77 0.00 0.00 -0.02 0.00 0.00 41.12 38.89 1i6a n ASP 252 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i6a n GLY 253 N -1.29 0.49 3.19 0.44 0.00 -1.26 -4.84 105.19 101.92 1i6a n GLY 253 Ca 0.05 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 1i6a n GLY 253 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i6a s VAL 254 N -2.00 1.65 -0.10 1.61 1.01 -0.23 -1.91 120.40 120.44 1i6a s VAL 254 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1i6a s VAL 254 Cb 0.00 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 1i6a s VAL 254 CO 0.00 0.47 -0.10 -0.69 0.00 0.00 0.00 175.10 174.78 1i6a s VAL 255 N -0.17 3.39 -0.16 2.92 1.01 0.21 -0.66 120.40 126.94 1i6a s VAL 255 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1i6a s VAL 255 Cb -0.11 -2.41 -0.00 0.00 0.00 0.00 0.00 36.38 33.86 1i6a s VAL 255 CO 0.02 0.55 -0.16 -0.31 0.00 0.00 0.00 175.10 175.20 1i6a s TYR 256 N -0.18 2.78 0.05 5.22 1.51 0.61 -1.78 117.35 125.56 1i6a s TYR 256 Ca 0.01 -1.08 0.01 0.00 -1.01 0.00 0.00 57.07 55.00 1i6a s TYR 256 Cb -0.13 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.80 1i6a s TYR 256 CO 0.03 -0.50 -0.05 -0.48 -1.11 0.00 0.00 175.55 173.44 1i6a s LEU 257 N 0.84 2.36 0.63 -1.29 0.05 -0.42 -4.83 118.68 116.02 1i6a s LEU 257 Ca -0.05 -0.74 -0.19 0.00 0.05 0.00 0.00 54.13 53.20 1i6a s LEU 257 Cb -0.15 0.00 -0.02 0.00 -2.05 0.00 0.00 46.19 43.97 1i6a s LEU 257 CO -0.01 -0.38 1.31 -2.84 -0.55 0.00 0.00 176.35 173.88 1i6a s PRO 258 N -2.59 2.68 -0.09 1.48 0.02 -1.26 -0.11 135.00 135.12 1i6a s PRO 258 Ca -0.03 2.10 0.03 0.00 0.02 0.00 0.00 61.00 63.12 1i6a s PRO 258 Cb -0.02 -1.93 -0.01 0.00 0.02 0.00 0.00 34.50 32.56 1i6a s PRO 258 CO -0.03 -1.51 -0.19 0.00 -0.33 0.00 0.00 177.00 174.94 1i6a s ALA 259 N -1.38 2.41 0.38 -1.55 0.00 -1.26 -1.97 121.76 118.39 1i6a s ALA 259 Ca 0.80 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.84 1i6a s ALA 259 Cb -0.38 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 1i6a s ALA 259 CO 0.41 0.36 0.15 0.96 0.00 0.00 0.00 175.76 177.64 1i6a s ILE 260 N -0.00 0.49 -1.04 0.00 -4.36 -0.69 -3.97 121.20 111.64 1i6a s ILE 260 Ca -0.06 -2.00 -0.17 0.00 -0.26 0.00 0.00 60.65 58.16 1i6a s ILE 260 Cb -0.15 -2.42 0.01 0.00 1.25 0.00 0.00 42.46 41.16 1i6a s ILE 260 CO 0.05 0.00 0.71 0.29 0.24 0.00 0.00 174.94 176.22 1i6a n LYS 261 N -0.80 -1.04 -4.08 0.37 5.02 -1.26 -1.13 118.16 115.23 1i6a n LYS 261 Ca -0.03 0.53 -0.24 0.00 -2.02 0.00 0.00 58.31 56.56 1i6a n LYS 261 Cb 0.65 -3.35 -0.05 0.00 -0.02 0.00 0.00 35.03 32.26 1i6a n LYS 261 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1i6a s PRO 262 N -5.81 2.97 0.06 1.97 0.04 -1.26 -4.08 135.00 128.90 1i6a s PRO 262 Ca 0.31 -0.93 -0.30 0.00 0.04 0.00 0.00 61.00 60.12 1i6a s PRO 262 Cb -0.14 -2.64 -0.09 0.00 0.04 0.00 0.00 34.50 31.67 1i6a s PRO 262 CO 0.89 0.45 1.93 -2.00 0.04 0.00 0.00 177.00 178.31 1i6a s GLU 263 N -3.48 4.14 0.24 4.56 2.12 -1.25 -4.77 118.70 120.26 1i6a s GLU 263 Ca 0.32 2.62 -0.30 0.00 0.36 0.00 0.00 54.97 57.97 1i6a s GLU 263 Cb -0.09 -3.99 -0.10 0.00 0.26 0.00 0.00 34.13 30.21 1i6a s GLU 263 CO 0.25 -0.92 1.37 -2.14 -0.54 0.00 0.00 175.26 173.27 1i6a s PRO 264 N 3.94 4.33 0.03 4.30 0.02 -1.26 -4.95 135.00 141.42 1i6a s PRO 264 Ca 0.86 2.19 -0.05 0.00 0.02 0.00 0.00 61.00 64.02 1i6a s PRO 264 Cb -0.44 -3.14 -0.01 0.00 0.02 0.00 0.00 34.50 30.93 1i6a s PRO 264 CO 0.40 -0.32 0.09 1.03 -0.33 0.00 0.00 177.00 177.87 1i6a s ARG 265 N -0.43 0.56 0.06 5.54 0.52 -1.26 -0.87 118.95 123.06 1i6a s ARG 265 Ca 0.57 -0.70 0.02 0.00 -0.52 0.00 0.00 55.73 55.10 1i6a s ARG 265 Cb -0.39 0.22 -0.03 0.00 0.52 0.00 0.00 34.95 35.27 1i6a s ARG 265 CO 0.42 -0.14 -0.08 -0.98 0.02 0.00 0.00 175.30 174.54 1i6a s ARG 266 N -2.40 0.61 -0.27 3.54 1.70 -0.51 -4.96 118.95 116.66 1i6a s ARG 266 Ca -0.07 -0.88 -0.09 0.00 -0.47 0.00 0.00 55.73 54.23 1i6a s ARG 266 Cb -0.02 -0.34 -0.04 0.00 -0.57 0.00 0.00 34.95 33.98 1i6a s ARG 266 CO -0.04 0.05 0.13 0.99 -1.08 0.00 0.00 175.30 175.36 1i6a s THR 267 N -1.74 4.78 -0.14 4.99 2.01 -1.26 0.19 115.64 124.46 1i6a s THR 267 Ca -0.05 -0.03 -0.16 0.00 0.31 0.00 0.00 61.69 61.76 1i6a s THR 267 Cb -0.07 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 1i6a s THR 267 CO -0.00 0.29 0.39 -0.63 -0.69 0.00 0.00 174.62 173.97 1i6a s ILE 268 N 1.68 5.24 0.17 1.82 -1.09 -0.26 -1.63 121.20 127.13 1i6a s ILE 268 Ca 0.07 0.75 0.01 0.00 -2.23 0.00 0.00 60.65 59.25 1i6a s ILE 268 Cb -0.16 -3.73 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 1i6a s ILE 268 CO 0.07 0.35 0.03 -0.83 -1.23 0.00 0.00 174.94 173.33 1i6a s GLY 269 N 0.59 1.19 -0.21 6.18 0.00 0.41 -0.28 107.32 115.20 1i6a s GLY 269 Ca 0.21 -1.58 -0.09 0.00 0.00 0.00 0.00 44.72 43.26 1i6a s GLY 269 CO 0.07 -1.48 0.11 -2.27 0.00 0.00 0.00 173.10 169.53 1i6a s LEU 270 N -3.14 4.01 0.05 0.66 0.20 -0.16 -1.49 118.68 118.80 1i6a s LEU 270 Ca 0.25 0.13 0.09 0.00 0.69 0.00 0.00 54.13 55.29 1i6a s LEU 270 Cb 0.07 -2.04 -0.03 0.00 -0.43 0.00 0.00 46.19 43.75 1i6a s LEU 270 CO 0.04 0.14 -0.24 -0.69 -0.29 0.00 0.00 176.35 175.31 1i6a s VAL 271 N 0.60 2.36 0.18 1.68 1.01 0.22 -0.84 120.40 125.61 1i6a s VAL 271 Ca 0.06 -1.36 -0.15 0.00 0.00 0.00 0.00 61.98 60.53 1i6a s VAL 271 Cb -0.12 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.32 1i6a s VAL 271 CO 0.01 0.33 0.44 -0.72 0.00 0.00 0.00 175.10 175.16 1i6a s TYR 272 N -0.87 0.03 0.16 5.22 -0.85 -0.98 -0.72 117.35 119.35 1i6a s TYR 272 Ca 0.13 -0.38 -0.32 0.00 -0.52 0.00 0.00 57.07 55.98 1i6a s TYR 272 Cb -0.10 0.25 -0.10 0.00 0.38 0.00 0.00 41.96 42.38 1i6a s TYR 272 CO 0.03 -0.84 1.63 1.03 -1.52 0.00 0.00 175.55 175.89 1i6a s ARG 273 N -3.90 4.19 0.44 -3.49 0.52 -1.26 -1.63 118.95 113.82 1i6a s ARG 273 Ca 0.11 2.44 -0.24 0.00 -0.52 0.00 0.00 55.73 57.51 1i6a s ARG 273 Cb 0.01 -3.21 -0.08 0.00 0.52 0.00 0.00 34.95 32.19 1i6a s ARG 273 CO -0.03 -0.67 1.22 -1.25 0.02 0.00 0.00 175.30 174.59 1i6a s PRO 274 N 1.41 3.84 0.00 3.54 0.04 -1.26 -1.89 135.00 140.68 1i6a s PRO 274 Ca 0.72 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.70 1i6a s PRO 274 Cb -0.45 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.53 1i6a s PRO 274 CO 0.32 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.24 1i6a n GLY 275 N 0.59 1.36 3.66 0.56 0.00 -1.26 -4.99 105.19 105.10 1i6a n GLY 275 Ca 0.06 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.60 1i6a n GLY 275 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1i6a n SER 276 N 0.00 2.86 0.14 1.61 2.88 -0.79 -4.88 113.62 115.43 1i6a n SER 276 Ca 0.00 1.08 0.05 0.00 -1.33 0.00 0.00 58.87 58.67 1i6a n SER 276 Cb 0.00 -1.38 0.50 0.00 -0.75 0.00 0.00 64.21 62.58 1i6a n SER 276 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1i6a h PRO 277 N 5.99 0.24 -0.81 -1.46 0.11 -1.94 -2.64 132.00 131.49 1i6a h PRO 277 Ca -0.46 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.41 1i6a h PRO 277 Cb 1.27 -0.05 -0.13 0.00 0.11 0.00 0.00 31.00 32.20 1i6a h PRO 277 CO 0.88 0.22 0.28 1.28 -0.21 0.00 0.00 178.00 180.44 1i6a n LEU 278 N -4.44 5.69 -0.17 2.35 4.77 -1.26 -4.64 117.00 119.30 1i6a n LEU 278 Ca -0.00 -2.97 0.17 0.00 -0.03 0.00 0.00 56.01 53.18 1i6a n LEU 278 Cb 0.13 -0.73 0.52 0.00 -2.33 0.00 0.00 43.42 41.01 1i6a n LEU 278 CO 0.36 0.77 1.21 0.08 -1.33 0.00 0.00 177.39 178.48 1i6a h ARG 279 N 2.23 0.37 -0.87 3.23 0.11 -1.85 -1.28 114.38 116.32 1i6a h ARG 279 Ca 0.27 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.32 1i6a h ARG 279 Cb 2.21 -0.08 -0.04 0.00 1.11 0.00 0.00 29.97 33.16 1i6a h ARG 279 CO 0.69 0.25 0.51 0.66 0.10 0.00 0.00 179.97 182.18 1i6a h SER 280 N 0.39 1.06 -0.45 0.08 4.64 -1.87 -0.95 113.55 116.44 1i6a h SER 280 Ca 0.38 -0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.56 1i6a h SER 280 Cb 0.93 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 1i6a h SER 280 CO -0.12 0.83 0.00 0.03 -0.87 0.00 0.00 176.83 176.70 1i6a h ARG 281 N 1.21 0.80 -0.54 4.77 3.08 -1.55 -2.02 114.38 120.12 1i6a h ARG 281 Ca 0.31 -0.25 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 1i6a h ARG 281 Cb -0.03 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1i6a h ARG 281 CO -0.06 0.86 0.07 1.88 -1.07 0.00 0.00 179.97 181.65 1i6a h TYR 282 N 0.65 0.92 -0.32 3.04 0.99 -1.29 -1.88 116.97 119.08 1i6a h TYR 282 Ca 0.13 -0.11 -0.06 0.00 2.00 0.00 0.00 58.73 60.69 1i6a h TYR 282 Cb 0.49 -0.26 -0.01 0.00 1.00 0.00 0.00 36.73 37.95 1i6a h TYR 282 CO 0.04 0.80 -0.02 0.93 -0.00 0.00 0.00 178.16 179.91 1i6a h GLU 283 N 0.83 0.57 -0.47 4.88 4.39 -1.03 -1.06 114.58 122.69 1i6a h GLU 283 Ca 0.17 -0.19 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 1i6a h GLU 283 Cb 0.40 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1i6a h GLU 283 CO 0.01 0.72 0.11 1.96 -1.16 0.00 0.00 179.01 180.64 1i6a h GLN 284 N 0.36 0.71 -0.24 2.33 4.20 -1.19 -0.76 115.11 120.53 1i6a h GLN 284 Ca 0.09 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 1i6a h GLN 284 Cb 0.47 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1i6a h GLN 284 CO 0.02 0.66 0.01 1.25 -0.67 0.00 0.00 178.83 180.10 1i6a h LEU 285 N 0.69 0.40 -0.89 1.46 5.85 -1.14 -2.15 115.31 119.54 1i6a h LEU 285 Ca 0.15 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 1i6a h LEU 285 Cb 0.27 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1i6a h LEU 285 CO -0.00 0.60 0.25 0.00 -0.34 0.00 0.00 178.44 178.95 1i6a h ALA 286 N 0.82 1.11 -0.47 1.25 0.00 -0.83 -2.64 119.26 118.50 1i6a h ALA 286 Ca 0.07 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1i6a h ALA 286 Cb 0.38 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1i6a h ALA 286 CO 0.01 0.62 -0.10 1.49 0.00 0.00 0.00 179.25 181.28 1i6a h GLU 287 N 1.03 0.85 -0.56 0.00 4.57 -1.03 -1.69 114.58 117.75 1i6a h GLU 287 Ca 0.23 -0.29 -0.07 0.00 -1.18 0.00 0.00 59.36 58.05 1i6a h GLU 287 Cb 0.25 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 1i6a h GLU 287 CO -0.01 0.91 0.05 0.00 -1.18 0.00 0.00 179.01 178.78 1i6a h ALA 288 N 1.12 1.03 -0.22 2.92 0.00 -1.13 -2.02 119.26 120.96 1i6a h ALA 288 Ca 0.13 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1i6a h ALA 288 Cb 0.60 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1i6a h ALA 288 CO 0.04 0.61 -0.34 0.82 0.00 0.00 0.00 179.25 180.38 1i6a h ILE 289 N 0.87 1.32 -0.52 0.00 2.04 -1.30 -2.51 117.51 117.41 1i6a h ILE 289 Ca 0.17 -1.55 0.02 0.00 1.00 0.00 0.00 64.86 64.51 1i6a h ILE 289 Cb 0.44 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1i6a h ILE 289 CO 0.02 0.48 0.31 -0.09 0.00 0.00 0.00 178.15 178.87 1i6a h ARG 290 N 0.31 0.60 -0.08 2.37 2.43 -1.20 -1.88 114.38 116.93 1i6a h ARG 290 Ca 0.02 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1i6a h ARG 290 Cb 0.92 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 1i6a h ARG 290 CO 0.08 0.40 0.03 0.00 -1.51 0.00 0.00 179.97 178.97 1i6a h ALA 291 N 1.23 0.09 -0.79 2.80 0.00 -1.34 -1.51 119.26 119.74 1i6a h ALA 291 Ca 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1i6a h ALA 291 Cb 0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1i6a h ALA 291 CO -0.09 -0.43 0.37 -0.09 0.00 0.00 0.00 179.25 179.00 1i6a h ARG 292 N 0.08 1.14 0.00 0.00 9.65 -1.27 -2.88 114.38 121.10 1i6a h ARG 292 Ca 0.03 -0.17 0.00 0.00 -1.10 0.00 0.00 59.98 58.74 1i6a h ARG 292 Cb 0.01 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.38 1i6a h ARG 292 CO -0.02 0.89 -0.16 -1.33 2.80 0.00 0.00 179.97 182.14 1i6a n MET 293 N -4.31 0.07 -1.66 0.20 2.81 -0.72 -4.79 117.12 108.71 1i6a n MET 293 Ca 0.08 0.04 -0.50 0.00 -1.81 0.00 0.00 57.70 55.50 1i6a n MET 293 Cb 0.15 -1.56 -0.05 0.00 -0.71 0.00 0.00 33.22 31.04 1i6a n MET 293 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1i6a n ASP 294 N -1.67 3.09 0.00 7.83 2.03 -0.58 -0.99 116.55 126.25 1i6a n ASP 294 Ca 0.06 0.91 0.00 0.00 0.52 0.00 0.00 54.79 56.28 1i6a n ASP 294 Cb 0.36 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.45 1i6a n ASP 294 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1i6a n GLY 295 N 4.64 0.47 0.28 0.27 0.00 -1.26 -4.91 105.19 104.67 1i6a n GLY 295 Ca 0.26 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.33 1i6a n GLY 295 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1i6a h HIS 296 N 0.00 0.24 -0.69 1.61 6.17 -1.37 -2.41 115.15 118.69 1i6a h HIS 296 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1i6a h HIS 296 Cb 0.16 -0.08 0.00 0.00 2.52 0.00 0.00 27.41 30.01 1i6a h HIS 296 CO 0.10 0.18 0.00 1.19 0.71 0.00 0.00 177.93 180.10 1i6a n PHE 297 N -4.48 1.09 1.99 5.26 3.01 -1.26 -5.18 117.46 117.88 1i6a n PHE 297 Ca -0.00 -0.53 0.16 0.00 1.01 0.00 0.00 57.45 58.09 1i6a n PHE 297 Cb 0.10 -0.07 0.94 0.00 -0.01 0.00 0.00 39.48 40.44 1i6a n PHE 297 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52