#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfu n SER 92 N 0.00 2.28 -3.32 1.61 7.64 -1.25 -5.00 113.62 115.58 3hfu n SER 92 Ca 0.00 -0.10 -0.05 0.00 1.01 0.00 0.00 58.87 59.73 3hfu n SER 92 Cb 0.00 -0.22 -0.06 0.00 -1.01 0.00 0.00 64.21 62.92 3hfu n SER 92 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3hfu s LEU 93 N -6.11 -0.89 -0.37 -3.43 2.96 -0.98 -4.81 118.68 105.04 3hfu s LEU 93 Ca -0.26 0.54 -0.15 0.00 -0.22 0.00 0.00 54.13 54.04 3hfu s LEU 93 Cb 0.07 1.51 -0.00 0.00 0.50 0.00 0.00 46.19 48.26 3hfu s LEU 93 CO 0.49 -0.28 0.31 -0.13 -1.32 0.00 0.00 176.35 175.42 3hfu s ARG 94 N 2.66 3.36 0.01 1.98 0.52 -1.26 -0.93 118.95 125.29 3hfu s ARG 94 Ca 0.14 -0.67 0.06 0.00 -0.52 0.00 0.00 55.73 54.73 3hfu s ARG 94 Cb -0.15 -3.86 -0.03 0.00 0.52 0.00 0.00 34.95 31.43 3hfu s ARG 94 CO -0.17 -0.58 -0.15 0.42 0.02 0.00 0.00 175.30 174.83 3hfu s ILE 95 N 1.85 2.97 -0.01 1.52 1.01 0.27 -1.07 121.20 127.75 3hfu s ILE 95 Ca 0.08 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.72 3hfu s ILE 95 Cb -0.17 -2.23 0.01 0.00 0.01 0.00 0.00 42.46 40.07 3hfu s ILE 95 CO 0.11 0.41 0.01 0.00 0.00 0.00 0.00 174.94 175.47 3hfu s ALA 96 N -0.88 0.02 0.05 9.38 0.00 -0.97 -0.92 121.76 128.44 3hfu s ALA 96 Ca 0.14 0.09 -0.04 0.00 0.00 0.00 0.00 51.96 52.15 3hfu s ALA 96 Cb -0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 3hfu s ALA 96 CO 0.04 -0.03 0.06 0.14 0.00 0.00 0.00 175.76 175.97 3hfu s VAL 97 N 0.30 0.16 0.50 0.00 -7.23 -0.78 -1.07 120.40 112.28 3hfu s VAL 97 Ca -0.02 -1.33 -0.20 0.00 -1.81 0.00 0.00 61.98 58.62 3hfu s VAL 97 Cb -0.04 -1.12 -0.08 0.00 0.56 0.00 0.00 36.38 35.71 3hfu s VAL 97 CO -0.01 -0.74 1.04 0.42 -0.31 0.00 0.00 175.10 175.51 3hfu s THR 98 N -3.14 3.80 0.10 5.32 -4.23 -0.59 -4.20 115.64 112.70 3hfu s THR 98 Ca -0.00 1.09 -0.12 0.00 -1.18 0.00 0.00 61.69 61.48 3hfu s THR 98 Cb 0.02 -3.45 0.05 0.00 1.34 0.00 0.00 72.50 70.46 3hfu s THR 98 CO -0.07 -0.27 0.76 -2.65 -0.54 0.00 0.00 174.62 171.85 3hfu n PRO 99 N -1.06 -0.16 0.00 3.99 -0.02 -1.26 -2.05 135.00 134.44 3hfu n PRO 99 Ca 0.09 0.75 0.10 0.00 -2.02 0.00 0.00 63.50 62.42 3hfu n PRO 99 Cb 0.53 -1.11 0.52 0.00 -0.02 0.00 0.00 33.50 33.41 3hfu n PRO 99 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3hfu h THR 100 N 0.00 0.96 0.00 3.45 1.35 -2.00 -1.68 112.91 115.00 3hfu h THR 100 Ca 0.13 -0.12 -0.04 0.00 -0.55 0.00 0.00 66.41 65.83 3hfu h THR 100 Cb 0.25 0.58 -0.01 0.00 -1.73 0.00 0.00 68.15 67.25 3hfu h THR 100 CO -0.48 0.06 -0.18 -0.26 -0.25 0.00 0.00 175.52 174.41 3hfu h PHE 101 N 0.35 0.00 0.00 4.73 -1.00 -1.79 -2.10 116.94 117.13 3hfu h PHE 101 Ca 0.19 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.97 3hfu h PHE 101 Cb 0.33 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.88 3hfu h PHE 101 CO -0.00 0.18 -0.03 1.15 -1.61 0.00 0.00 178.31 178.01 3hfu h THR 102 N 0.00 0.92 -0.29 -1.55 2.02 -1.42 0.45 112.91 113.04 3hfu h THR 102 Ca -0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3hfu h THR 102 Cb 0.44 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3hfu h THR 102 CO 0.02 0.03 0.00 -1.20 0.37 0.00 0.00 175.52 174.74 3hfu n SER 103 N -4.37 1.90 0.00 4.18 7.64 -0.79 -4.59 113.62 117.59 3hfu n SER 103 Ca -0.03 -1.88 0.00 0.00 1.01 0.00 0.00 58.87 57.97 3hfu n SER 103 Cb 0.11 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 3hfu n SER 103 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hfu n TYR 104 N 0.51 0.00 -0.05 1.43 0.18 -1.06 -4.70 117.16 113.46 3hfu n TYR 104 Ca 0.14 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.88 3hfu n TYR 104 Cb 0.33 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.27 3hfu n TYR 104 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 3hfu n PHE 105 N -0.14 0.12 -0.12 -3.48 7.35 0.08 -4.61 117.46 116.66 3hfu n PHE 105 Ca 0.00 0.05 0.12 0.00 -0.76 0.00 0.00 57.45 56.86 3hfu n PHE 105 Cb 0.00 -0.34 0.48 0.00 0.35 0.00 0.00 39.48 39.98 3hfu n PHE 105 CO 0.00 0.00 0.00 0.97 -0.76 0.00 0.00 176.76 176.97 3hfu h ILE 106 N -0.56 0.88 0.62 -2.13 6.09 -1.66 -3.06 117.51 117.69 3hfu h ILE 106 Ca 0.00 -0.15 -0.03 0.00 -1.37 0.00 0.00 64.86 63.31 3hfu h ILE 106 Cb 0.50 0.39 -0.00 0.00 0.47 0.00 0.00 36.82 38.18 3hfu h ILE 106 CO 0.00 0.08 -0.36 1.23 -3.07 0.00 0.00 178.15 176.03 3hfu h GLY 107 N 0.45 -1.07 1.42 8.18 0.00 -1.81 -2.97 103.07 107.27 3hfu h GLY 107 Ca 0.31 0.43 0.05 0.00 0.00 0.00 0.00 47.33 48.12 3hfu h GLY 107 CO -0.09 -0.37 0.27 -2.55 0.00 0.00 0.00 176.54 173.80 3hfu h PRO 108 N -0.91 0.29 -0.50 4.80 0.11 -1.81 -1.94 132.00 132.05 3hfu h PRO 108 Ca -0.08 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3hfu h PRO 108 Cb 0.73 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.77 3hfu h PRO 108 CO 0.10 0.19 0.00 -0.11 -0.21 0.00 0.00 178.00 177.97 3hfu n LEU 109 N -4.48 0.50 0.00 2.35 7.94 -1.12 -2.30 117.00 119.89 3hfu n LEU 109 Ca 0.05 -0.25 0.00 0.00 -1.11 0.00 0.00 56.01 54.70 3hfu n LEU 109 Cb 0.24 -0.25 0.00 0.00 0.53 0.00 0.00 43.42 43.94 3hfu n LEU 109 CO 0.35 0.13 0.00 0.00 -1.11 0.00 0.00 177.39 176.75 3hfu n ALA 111 N 0.20 0.00 -0.13 1.96 0.00 -0.73 -0.70 120.51 121.10 3hfu n ALA 111 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3hfu n ALA 111 Cb 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.56 3hfu n ALA 111 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3hfu h ASP 112 N 0.00 0.75 -0.51 0.00 3.32 -1.72 -2.16 116.42 116.09 3hfu h ASP 112 Ca 0.00 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 3hfu h ASP 112 Cb 0.00 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3hfu h ASP 112 CO 0.00 0.93 0.29 0.15 -1.72 0.00 0.00 179.24 178.89 3hfu h PHE 113 N 0.55 0.70 -0.27 4.55 3.57 -1.19 -1.64 116.94 123.21 3hfu h PHE 113 Ca 0.10 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 3hfu h PHE 113 Cb 0.59 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 3hfu h PHE 113 CO 0.05 0.51 0.15 -0.92 -2.23 0.00 0.00 178.31 175.87 3hfu h TYR 114 N 0.69 0.37 0.00 0.41 3.20 -1.79 0.81 116.97 120.65 3hfu h TYR 114 Ca 0.18 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 3hfu h TYR 114 Cb 0.04 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.19 3hfu h TYR 114 CO -0.02 0.32 -0.03 0.00 -1.64 0.00 0.00 178.16 176.79 3hfu h ALA 115 N 1.02 1.79 0.16 1.82 0.00 -1.15 0.40 119.26 123.30 3hfu h ALA 115 Ca 0.09 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.64 3hfu h ALA 115 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3hfu h ALA 115 CO -0.01 0.03 -1.72 -0.09 0.00 0.00 0.00 179.25 177.46 3hfu h ARG 116 N 0.00 0.33 -2.10 0.00 2.43 -0.75 -3.40 114.38 110.89 3hfu h ARG 116 Ca -0.00 -0.56 -0.56 0.00 -0.81 0.00 0.00 59.98 58.05 3hfu h ARG 116 Cb 0.05 0.21 -0.41 0.00 -0.42 0.00 0.00 29.97 29.41 3hfu h ARG 116 CO 0.00 1.22 -0.91 0.66 -1.51 0.00 0.00 179.97 179.44 3hfu n TYR 117 N -3.52 1.62 0.23 2.20 4.01 0.23 -4.94 117.16 116.98 3hfu n TYR 117 Ca -0.23 -3.86 0.17 0.00 -0.16 0.00 0.00 57.90 53.82 3hfu n TYR 117 Cb 1.06 -0.45 0.73 0.00 -0.31 0.00 0.00 39.34 40.38 3hfu n TYR 117 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3hfu h PRO 118 N 3.65 0.00 0.00 -0.72 0.11 -1.14 -1.18 132.00 132.72 3hfu h PRO 118 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3hfu h PRO 118 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3hfu h PRO 118 CO 0.63 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 179.19 3hfu h SER 119 N 0.00 0.00 -3.60 -2.05 0.02 -1.92 -3.42 113.55 102.57 3hfu h SER 119 Ca 0.09 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.42 3hfu h SER 119 Cb 0.97 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.38 3hfu h SER 119 CO -0.00 0.00 -0.07 -0.63 -1.14 0.00 0.00 176.83 174.99 3hfu s ILE 120 N -3.31 5.10 0.09 3.27 1.01 -0.45 -5.04 121.20 121.87 3hfu s ILE 120 Ca 0.06 0.82 -0.27 0.00 0.00 0.00 0.00 60.65 61.25 3hfu s ILE 120 Cb 0.10 -3.80 -0.06 0.00 0.01 0.00 0.00 42.46 38.71 3hfu s ILE 120 CO 0.51 0.11 0.85 0.42 0.00 0.00 0.00 174.94 176.83 3hfu s THR 121 N 2.18 4.56 -0.03 2.92 -4.23 -1.26 -4.96 115.64 114.83 3hfu s THR 121 Ca 0.20 1.82 0.02 0.00 -1.18 0.00 0.00 61.69 62.55 3hfu s THR 121 Cb -0.16 -4.20 -0.03 0.00 1.34 0.00 0.00 72.50 69.45 3hfu s THR 121 CO 0.09 0.38 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.73 3hfu s LEU 122 N -0.24 3.24 -0.15 4.79 1.43 -1.26 -2.33 118.68 124.16 3hfu s LEU 122 Ca 0.41 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 3hfu s LEU 122 Cb -0.22 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.21 3hfu s LEU 122 CO 0.26 0.31 -0.17 -1.58 0.23 0.00 0.00 176.35 175.41 3hfu s GLN 123 N -1.21 2.52 -0.10 1.70 2.00 -0.11 -5.01 119.66 119.46 3hfu s GLN 123 Ca 0.16 -0.65 0.02 0.00 -2.00 0.00 0.00 55.36 52.89 3hfu s GLN 123 Cb -0.11 -2.21 0.01 0.00 0.80 0.00 0.00 33.01 31.50 3hfu s GLN 123 CO 0.06 -0.17 -0.17 -1.17 -0.50 0.00 0.00 175.29 173.33 3hfu s LEU 124 N 1.28 1.81 -0.03 3.68 1.98 -1.26 0.94 118.68 127.08 3hfu s LEU 124 Ca 0.02 -0.44 0.01 0.00 -2.89 0.00 0.00 54.13 50.83 3hfu s LEU 124 Cb -0.14 -1.12 0.02 0.00 0.66 0.00 0.00 46.19 45.61 3hfu s LEU 124 CO -0.09 0.06 -0.04 -1.10 -1.89 0.00 0.00 176.35 173.29 3hfu s GLN 125 N 0.76 0.67 -0.04 1.98 -0.21 -0.10 -4.99 119.66 117.72 3hfu s GLN 125 Ca -0.11 -0.10 -0.09 0.00 0.02 0.00 0.00 55.36 55.08 3hfu s GLN 125 Cb -0.16 -0.69 -0.05 0.00 1.00 0.00 0.00 33.01 33.11 3hfu s GLN 125 CO 0.02 -0.04 0.25 -1.83 -2.12 0.00 0.00 175.29 171.57 3hfu s GLU 126 N 0.69 3.61 0.40 2.91 -1.05 -1.26 -1.86 118.70 122.14 3hfu s GLU 126 Ca -0.09 0.02 -0.17 0.00 -0.15 0.00 0.00 54.97 54.58 3hfu s GLU 126 Cb -0.12 -3.15 -0.09 0.00 -0.44 0.00 0.00 34.13 30.33 3hfu s GLU 126 CO -0.00 0.71 0.87 -1.54 0.95 0.00 0.00 175.26 176.24 3hfu s SER 128 N -1.31 6.80 0.47 0.83 1.04 -1.26 -4.90 113.70 115.37 3hfu s SER 128 Ca 0.22 1.48 0.15 0.00 0.48 0.00 0.00 55.95 58.29 3hfu s SER 128 Cb -0.14 -2.46 1.12 0.00 0.10 0.00 0.00 66.02 64.64 3hfu s SER 128 CO 0.11 -0.34 2.03 -0.61 0.98 0.00 0.00 173.24 175.41 3hfu h GLN 129 N 1.83 0.27 -0.43 4.02 4.15 -1.95 -1.22 115.11 121.78 3hfu h GLN 129 Ca -0.48 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 58.92 3hfu h GLN 129 Cb 1.18 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.79 3hfu h GLN 129 CO 0.63 0.18 0.25 0.93 -1.93 0.00 0.00 178.83 178.88 3hfu h GLU 130 N 0.27 0.59 -0.27 1.69 5.08 -2.02 -0.36 114.58 119.55 3hfu h GLU 130 Ca 0.20 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 3hfu h GLU 130 Cb 0.43 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3hfu h GLU 130 CO -0.04 0.45 0.05 0.87 -1.00 0.00 0.00 179.01 179.34 3hfu h LYS 131 N 0.56 0.44 0.04 2.33 1.57 -1.69 -0.92 116.57 118.90 3hfu h LYS 131 Ca 0.15 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3hfu h LYS 131 Cb 0.02 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 3hfu h LYS 131 CO -0.03 0.54 -0.17 0.82 -0.57 0.00 0.00 179.45 180.04 3hfu h ILE 132 N 0.26 0.59 -0.30 1.86 2.04 -1.08 -2.63 117.51 118.26 3hfu h ILE 132 Ca 0.08 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.99 3hfu h ILE 132 Cb 0.31 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 3hfu h ILE 132 CO 0.00 0.00 0.03 -0.33 0.00 0.00 0.00 178.15 177.85 3hfu h GLU 133 N -0.31 0.13 0.00 2.37 5.08 -0.98 -0.11 114.58 120.76 3hfu h GLU 133 Ca 0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3hfu h GLU 133 Cb 0.35 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3hfu h GLU 133 CO -0.13 0.08 0.00 -3.47 -1.00 0.00 0.00 179.01 174.49 3hfu n ASP 134 N -5.12 0.00 0.00 1.42 2.03 -0.36 -1.94 116.55 112.57 3hfu n ASP 134 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3hfu n ASP 134 Cb 0.14 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 3hfu n ASP 134 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3hfu n LEU 136 N 0.31 0.00 0.16 -2.67 4.77 -0.06 -1.94 117.00 117.57 3hfu n LEU 136 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 3hfu n LEU 136 Cb 0.00 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 41.46 3hfu n LEU 136 CO 0.00 0.00 0.79 0.00 -1.33 0.00 0.00 177.39 176.85 3hfu n ARG 138 N -4.18 2.70 -3.21 0.00 1.74 -0.82 -4.92 116.66 107.98 3hfu n ARG 138 Ca -0.02 -1.88 -0.22 0.00 -0.77 0.00 0.00 57.85 54.97 3hfu n ARG 138 Cb 0.35 -1.63 0.01 0.00 -1.02 0.00 0.00 32.46 30.16 3hfu n ARG 138 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3hfu n ASP 139 N 0.72 -4.29 -0.29 0.55 8.00 -0.83 -4.83 116.55 115.58 3hfu n ASP 139 Ca 0.17 -0.32 0.11 0.00 0.71 0.00 0.00 54.79 55.46 3hfu n ASP 139 Cb 0.60 -3.53 0.03 0.00 -0.02 0.00 0.00 41.12 38.20 3hfu n ASP 139 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hfu n GLU 140 N -3.73 0.75 -4.00 -1.24 1.02 -1.26 -4.91 120.64 107.26 3hfu n GLU 140 Ca -0.05 -0.59 -0.11 0.00 -0.02 0.00 0.00 57.16 56.40 3hfu n GLU 140 Cb 0.57 -1.49 -0.12 0.00 -0.02 0.00 0.00 31.44 30.38 3hfu n GLU 140 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3hfu s LEU 141 N -2.66 2.21 -0.19 -4.62 1.43 -1.26 -4.96 118.68 108.63 3hfu s LEU 141 Ca 0.16 -0.45 -0.09 0.00 -1.03 0.00 0.00 54.13 52.72 3hfu s LEU 141 Cb 0.18 -0.00 -0.21 0.00 0.03 0.00 0.00 46.19 46.19 3hfu s LEU 141 CO 0.66 -0.23 0.09 0.47 0.23 0.00 0.00 176.35 177.57 3hfu n ASP 142 N 1.76 2.01 -4.06 2.29 8.00 -0.23 -4.69 116.55 121.63 3hfu n ASP 142 Ca -0.22 0.19 -0.13 0.00 0.71 0.00 0.00 54.79 55.33 3hfu n ASP 142 Cb 0.55 -0.77 -0.12 0.00 -0.02 0.00 0.00 41.12 40.77 3hfu n ASP 142 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hfu s VAL 143 N -2.50 0.55 0.05 2.53 1.01 -0.99 -4.77 120.40 116.29 3hfu s VAL 143 Ca -0.29 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.67 3hfu s VAL 143 Cb 0.08 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 3hfu s VAL 143 CO 0.65 -0.35 -0.07 -0.83 0.00 0.00 0.00 175.10 174.51 3hfu s GLY 144 N -1.50 0.54 -0.11 4.51 0.00 -0.16 -2.28 107.32 108.32 3hfu s GLY 144 Ca -0.09 -0.91 -0.02 0.00 0.00 0.00 0.00 44.72 43.70 3hfu s GLY 144 CO 0.00 -0.98 0.00 -0.42 0.00 0.00 0.00 173.10 171.70 3hfu s ILE 145 N -2.05 0.51 0.00 0.90 1.01 -0.23 0.11 121.20 121.45 3hfu s ILE 145 Ca -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.46 3hfu s ILE 145 Cb -0.05 -0.76 0.00 0.00 0.01 0.00 0.00 42.46 41.66 3hfu s ILE 145 CO -0.01 0.13 0.00 0.00 0.00 0.00 0.00 174.94 175.05 3hfu n ALA 146 N 5.09 0.00 -2.41 9.38 0.00 -0.47 -1.54 120.51 130.56 3hfu n ALA 146 Ca -0.08 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.14 3hfu n ALA 146 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.84 3hfu n ALA 146 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3hfu s PHE 147 N -1.08 1.99 0.42 0.00 0.40 -1.26 0.71 117.98 119.15 3hfu s PHE 147 Ca 0.00 -0.49 -0.22 0.00 -0.60 0.00 0.00 56.93 55.62 3hfu s PHE 147 Cb 0.00 -0.93 -0.11 0.00 0.51 0.00 0.00 43.02 42.49 3hfu s PHE 147 CO 0.00 0.50 0.96 0.00 0.70 0.00 0.00 175.22 177.38 3hfu s ALA 148 N -2.79 3.05 0.29 5.36 0.00 -0.67 -4.17 121.76 122.84 3hfu s ALA 148 Ca 0.27 0.45 -0.09 0.00 0.00 0.00 0.00 51.96 52.59 3hfu s ALA 148 Cb -0.02 -3.17 -0.07 0.00 0.00 0.00 0.00 23.12 19.87 3hfu s ALA 148 CO 0.11 0.08 0.61 -1.25 0.00 0.00 0.00 175.76 175.31 3hfu s PRO 149 N -3.01 3.76 0.04 0.00 0.04 -1.26 -4.69 135.00 129.88 3hfu s PRO 149 Ca 0.61 0.26 -0.19 0.00 0.04 0.00 0.00 61.00 61.72 3hfu s PRO 149 Cb -0.12 -2.58 -0.06 0.00 0.04 0.00 0.00 34.50 31.78 3hfu s PRO 149 CO 0.16 0.20 0.55 0.08 0.04 0.00 0.00 177.00 178.02 3hfu s VAL 150 N -2.03 4.82 -0.13 -0.36 1.01 -1.26 -5.00 120.40 117.46 3hfu s VAL 150 Ca 0.48 1.16 -0.03 0.00 0.00 0.00 0.00 61.98 63.59 3hfu s VAL 150 Cb -0.11 -3.88 -0.25 0.00 0.00 0.00 0.00 36.38 32.15 3hfu s VAL 150 CO 0.26 0.53 0.33 1.41 0.00 0.00 0.00 175.10 177.63 3hfu n HIS 151 N 1.96 1.07 -2.33 5.22 -0.00 -1.26 -4.89 115.22 114.99 3hfu n HIS 151 Ca -0.10 0.24 -0.42 0.00 -0.00 0.00 0.00 57.72 57.44 3hfu n HIS 151 Cb 0.51 -1.15 -0.03 0.00 -0.00 0.00 0.00 29.99 29.33 3hfu n HIS 151 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3hfu s SER 152 N -6.84 6.97 0.46 0.41 0.15 -1.26 -4.92 113.70 108.67 3hfu s SER 152 Ca -0.21 2.07 0.26 0.00 0.70 0.00 0.00 55.95 58.77 3hfu s SER 152 Cb 0.07 -2.57 0.78 0.00 -1.71 0.00 0.00 66.02 62.58 3hfu s SER 152 CO 0.76 -0.58 1.76 -0.65 1.20 0.00 0.00 173.24 175.73 3hfu h PRO 153 N 7.14 0.00 0.00 5.44 0.11 -2.02 -3.09 132.00 139.58 3hfu h PRO 153 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3hfu h PRO 153 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3hfu h PRO 153 CO 0.85 0.11 0.00 0.39 -0.21 0.00 0.00 178.00 179.14 3hfu n GLU 154 N -3.17 0.24 -3.97 1.05 4.71 -1.26 -4.81 120.64 113.43 3hfu n GLU 154 Ca 0.02 0.03 -0.33 0.00 -0.01 0.00 0.00 57.16 56.87 3hfu n GLU 154 Cb 0.46 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 29.33 3hfu n GLU 154 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3hfu s LEU 155 N -2.74 4.20 0.03 -4.62 1.43 -1.17 -0.39 118.68 115.43 3hfu s LEU 155 Ca 0.21 0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.58 3hfu s LEU 155 Cb 0.18 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 3hfu s LEU 155 CO 0.44 0.24 0.07 -0.70 0.23 0.00 0.00 176.35 176.64 3hfu s GLU 156 N -2.01 2.94 -0.10 1.70 2.12 0.21 -4.77 118.70 118.79 3hfu s GLU 156 Ca 0.27 -0.60 0.01 0.00 0.36 0.00 0.00 54.97 55.02 3hfu s GLU 156 Cb -0.12 -2.77 0.02 0.00 0.26 0.00 0.00 34.13 31.51 3hfu s GLU 156 CO 0.19 0.61 -0.12 0.00 -0.54 0.00 0.00 175.26 175.39 3hfu s ALA 157 N -1.27 1.50 -0.26 6.30 0.00 -1.26 -2.57 121.76 124.20 3hfu s ALA 157 Ca 0.25 -0.62 -0.05 0.00 0.00 0.00 0.00 51.96 51.55 3hfu s ALA 157 Cb -0.12 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.20 3hfu s ALA 157 CO 0.17 -0.15 0.01 0.42 0.00 0.00 0.00 175.76 176.21 3hfu s ILE 158 N 1.14 3.51 -0.01 0.00 1.01 -0.64 -4.92 121.20 121.29 3hfu s ILE 158 Ca -0.04 -0.74 -0.36 0.00 0.00 0.00 0.00 60.65 59.51 3hfu s ILE 158 Cb -0.14 -2.75 -0.14 0.00 0.01 0.00 0.00 42.46 39.43 3hfu s ILE 158 CO -0.03 0.20 1.67 -2.65 0.00 0.00 0.00 174.94 174.13 3hfu n PRO 159 N 4.79 1.81 -0.06 2.79 -0.02 -1.26 -1.03 135.00 142.02 3hfu n PRO 159 Ca -0.16 0.66 -0.07 0.00 -2.02 0.00 0.00 63.50 61.91 3hfu n PRO 159 Cb 0.48 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 3hfu n PRO 159 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3hfu n LEU 160 N 4.69 1.73 -3.84 2.45 7.94 0.13 -4.88 117.00 125.23 3hfu n LEU 160 Ca 0.21 0.29 -0.07 0.00 -1.11 0.00 0.00 56.01 55.33 3hfu n LEU 160 Cb 0.25 -0.66 -0.02 0.00 0.53 0.00 0.00 43.42 43.52 3hfu n LEU 160 CO 0.70 -0.36 0.52 -1.48 -1.11 0.00 0.00 177.39 175.65 3hfu s LEU 161 N -7.65 -0.22 -0.32 -1.96 0.05 -1.11 -4.85 118.68 102.61 3hfu s LEU 161 Ca -0.23 -0.62 -0.05 0.00 0.05 0.00 0.00 54.13 53.27 3hfu s LEU 161 Cb 0.03 2.65 0.04 0.00 -2.05 0.00 0.00 46.19 46.86 3hfu s LEU 161 CO 0.34 -1.31 0.07 -0.89 -0.55 0.00 0.00 176.35 174.02 3hfu s THR 162 N -3.68 3.60 -0.22 5.48 2.01 -1.26 0.12 115.64 121.68 3hfu s THR 162 Ca 0.12 -1.14 -0.08 0.00 0.31 0.00 0.00 61.69 60.90 3hfu s THR 162 Cb -0.05 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 3hfu s THR 162 CO 0.07 -0.13 0.08 -1.83 -0.69 0.00 0.00 174.62 172.12 3hfu s GLU 163 N 1.38 3.86 -0.07 4.92 -1.05 -0.22 -4.95 118.70 122.56 3hfu s GLU 163 Ca -0.02 -0.39 0.02 0.00 -0.15 0.00 0.00 54.97 54.43 3hfu s GLU 163 Cb -0.19 -3.30 -0.02 0.00 -0.44 0.00 0.00 34.13 30.17 3hfu s GLU 163 CO 0.02 0.06 -0.12 -1.54 0.95 0.00 0.00 175.26 174.62 3hfu s SER 164 N 0.97 4.16 0.43 0.83 1.04 -1.26 -1.33 113.70 118.54 3hfu s SER 164 Ca 0.04 -0.19 -0.25 0.00 0.48 0.00 0.00 55.95 56.04 3hfu s SER 164 Cb -0.14 -1.10 -0.08 0.00 0.10 0.00 0.00 66.02 64.80 3hfu s SER 164 CO 0.03 0.30 1.24 -0.76 0.98 0.00 0.00 173.24 175.03 3hfu s LEU 165 N -0.47 4.12 0.18 2.42 1.43 -0.52 -2.79 118.68 123.05 3hfu s LEU 165 Ca 0.06 2.49 0.00 0.00 -1.03 0.00 0.00 54.13 55.66 3hfu s LEU 165 Cb -0.12 -4.06 -0.04 0.00 0.03 0.00 0.00 46.19 42.00 3hfu s LEU 165 CO 0.02 -0.89 0.06 0.00 0.23 0.00 0.00 176.35 175.77 3hfu s ALA 166 N -1.38 1.25 -0.47 4.21 0.00 0.12 -4.65 121.76 120.84 3hfu s ALA 166 Ca 0.60 -1.64 -0.25 0.00 0.00 0.00 0.00 51.96 50.68 3hfu s ALA 166 Cb -0.34 0.91 0.03 0.00 0.00 0.00 0.00 23.12 23.72 3hfu s ALA 166 CO 0.42 -0.45 0.89 -1.17 0.00 0.00 0.00 175.76 175.45 3hfu s LEU 167 N -3.16 4.08 -0.23 0.00 2.96 -0.10 -2.32 118.68 119.91 3hfu s LEU 167 Ca 0.30 0.01 -0.16 0.00 -0.22 0.00 0.00 54.13 54.06 3hfu s LEU 167 Cb 0.07 -3.10 -0.04 0.00 0.50 0.00 0.00 46.19 43.62 3hfu s LEU 167 CO 0.07 -1.03 0.40 -0.69 -1.32 0.00 0.00 176.35 173.78 3hfu s VAL 168 N 3.65 5.18 0.23 1.68 1.01 -0.04 0.02 120.40 132.13 3hfu s VAL 168 Ca 0.35 0.68 0.00 0.00 0.00 0.00 0.00 61.98 63.01 3hfu s VAL 168 Cb -0.11 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 3hfu s VAL 168 CO 0.25 0.21 0.12 0.68 0.00 0.00 0.00 175.10 176.36 3hfu s VAL 169 N 1.62 0.24 0.64 2.92 -7.23 -0.26 -2.13 120.40 116.20 3hfu s VAL 169 Ca 0.18 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.25 3hfu s VAL 169 Cb -0.15 -2.56 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 3hfu s VAL 169 CO 0.08 0.00 1.02 0.00 -0.31 0.00 0.00 175.10 175.89 3hfu s ALA 170 N -3.97 3.07 0.37 1.32 0.00 -1.26 -0.33 121.76 120.96 3hfu s ALA 170 Ca 0.38 -0.35 0.35 0.00 0.00 0.00 0.00 51.96 52.34 3hfu s ALA 170 Cb 0.07 -2.93 1.72 0.00 0.00 0.00 0.00 23.12 21.99 3hfu s ALA 170 CO 0.13 -0.89 2.13 -0.56 0.00 0.00 0.00 175.76 176.57 3hfu h GLN 171 N -0.40 0.00 -0.40 0.00 3.07 -1.67 -1.94 115.11 113.76 3hfu h GLN 171 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.29 3hfu h GLN 171 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.79 3hfu h GLN 171 CO 0.63 0.04 0.00 -2.39 0.09 0.00 0.00 178.83 177.19 3hfu n HIS 172 N -3.24 0.53 -2.73 0.06 1.44 -1.26 -4.79 115.22 105.23 3hfu n HIS 172 Ca -0.01 -0.26 -0.41 0.00 -2.01 0.00 0.00 57.72 55.02 3hfu n HIS 172 Cb 0.22 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.28 3hfu n HIS 172 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 3hfu s HIS 173 N -1.47 3.79 0.60 -1.40 5.04 -0.73 -4.93 115.29 116.19 3hfu s HIS 173 Ca 0.34 1.79 0.20 0.00 -1.54 0.00 0.00 55.06 55.85 3hfu s HIS 173 Cb 0.18 -3.06 1.11 0.00 0.04 0.00 0.00 32.58 30.85 3hfu s HIS 173 CO 0.25 0.18 1.61 -1.00 -2.34 0.00 0.00 174.74 173.44 3hfu h PRO 174 N 5.72 0.00 -0.00 2.88 0.13 -1.89 0.37 132.00 139.21 3hfu h PRO 174 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3hfu h PRO 174 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3hfu h PRO 174 CO 0.72 0.00 -0.89 1.28 -0.23 0.00 0.00 178.00 178.88 3hfu n LEU 175 N -2.69 1.05 0.17 1.56 4.77 -1.26 -4.38 117.00 116.23 3hfu n LEU 175 Ca -0.01 -0.47 0.19 0.00 -0.03 0.00 0.00 56.01 55.68 3hfu n LEU 175 Cb 0.54 -0.03 0.77 0.00 -2.33 0.00 0.00 43.42 42.37 3hfu n LEU 175 CO 0.09 0.25 1.16 0.00 -1.33 0.00 0.00 177.39 177.56 3hfu h ALA 176 N 3.09 1.86 0.00 -1.18 0.00 -1.18 0.69 119.26 122.54 3hfu h ALA 176 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hfu h ALA 176 Cb 0.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3hfu h ALA 176 CO 0.00 -0.54 0.00 -0.24 0.00 0.00 0.00 179.25 178.47 3hfu h VAL 177 N 0.00 0.00 -2.50 0.00 3.04 -1.77 -3.44 116.25 111.58 3hfu h VAL 177 Ca 0.13 -0.26 -0.49 0.00 -1.01 0.00 0.00 66.70 65.07 3hfu h VAL 177 Cb 0.93 1.21 -0.01 0.00 -2.01 0.00 0.00 31.29 31.41 3hfu h VAL 177 CO -0.00 0.00 -0.37 -1.00 -1.01 0.00 0.00 177.57 175.19 3hfu s HIS 178 N -3.83 3.47 -0.13 3.17 4.02 0.23 -5.00 115.29 117.22 3hfu s HIS 178 Ca -0.01 0.15 0.18 0.00 1.02 0.00 0.00 55.06 56.39 3hfu s HIS 178 Cb 0.10 -1.71 -0.26 0.00 -1.02 0.00 0.00 32.58 29.70 3hfu s HIS 178 CO 0.46 0.37 0.20 0.39 1.02 0.00 0.00 174.74 177.18 3hfu n GLU 179 N -1.21 0.81 -3.74 1.40 1.02 -1.26 -4.81 120.64 112.85 3hfu n GLU 179 Ca -0.07 -0.07 -0.13 0.00 -0.02 0.00 0.00 57.16 56.88 3hfu n GLU 179 Cb 0.56 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 30.38 3hfu n GLU 179 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3hfu s GLN 180 N -2.78 0.38 0.16 3.49 0.74 -1.26 -0.24 119.66 120.15 3hfu s GLN 180 Ca -0.09 0.53 0.04 0.00 0.05 0.00 0.00 55.36 55.89 3hfu s GLN 180 Cb 0.08 0.13 -0.05 0.00 1.10 0.00 0.00 33.01 34.28 3hfu s GLN 180 CO 0.80 -0.08 -0.08 0.14 -0.55 0.00 0.00 175.29 175.53 3hfu s VAL 181 N 0.46 1.09 0.55 1.34 -7.23 0.17 -4.89 120.40 111.89 3hfu s VAL 181 Ca -0.02 -2.04 -0.21 0.00 -1.81 0.00 0.00 61.98 57.90 3hfu s VAL 181 Cb -0.04 -1.92 -0.05 0.00 0.56 0.00 0.00 36.38 34.93 3hfu s VAL 181 CO -0.02 -0.68 1.27 0.00 -0.31 0.00 0.00 175.10 175.35 3hfu s ALA 182 N -3.38 2.73 0.50 1.32 0.00 -1.26 -0.64 121.76 121.02 3hfu s ALA 182 Ca 0.18 1.14 0.27 0.00 0.00 0.00 0.00 51.96 53.55 3hfu s ALA 182 Cb 0.03 -3.49 1.58 0.00 0.00 0.00 0.00 23.12 21.24 3hfu s ALA 182 CO 0.01 -1.18 2.15 1.25 0.00 0.00 0.00 175.76 178.00 3hfu h LEU 183 N 1.32 0.00 -1.62 0.00 5.85 -1.18 -2.03 115.31 117.66 3hfu h LEU 183 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 3hfu h LEU 183 Cb 1.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.32 3hfu h LEU 183 CO 0.57 0.07 0.00 0.77 -0.34 0.00 0.00 178.44 179.50 3hfu h SER 184 N 0.00 0.00 0.24 1.25 4.64 -1.90 -2.77 113.55 115.01 3hfu h SER 184 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3hfu h SER 184 Cb 0.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3hfu h SER 184 CO 0.01 0.00 -0.10 0.03 -0.87 0.00 0.00 176.83 175.90 3hfu h ARG 185 N 0.00 0.00 -0.27 4.77 2.47 -1.73 -3.05 114.38 116.56 3hfu h ARG 185 Ca 0.00 0.00 0.05 0.00 -1.26 0.00 0.00 59.98 58.77 3hfu h ARG 185 Cb 0.15 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 3hfu h ARG 185 CO 0.00 0.10 0.19 -0.07 0.56 0.00 0.00 179.97 180.74 3hfu h LEU 186 N 0.00 0.14 -1.20 3.04 3.38 -1.72 -2.74 115.31 116.22 3hfu h LEU 186 Ca -0.00 -0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.14 3hfu h LEU 186 Cb 0.24 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.88 3hfu h LEU 186 CO 0.01 0.10 0.61 -0.74 0.09 0.00 0.00 178.44 178.51 3hfu h HIS 187 N 0.17 0.89 -0.02 1.13 2.76 -1.79 -0.77 115.15 117.51 3hfu h HIS 187 Ca 0.12 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 3hfu h HIS 187 Cb 0.27 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 28.95 3hfu h HIS 187 CO -0.00 0.26 -0.03 -0.25 -1.30 0.00 0.00 177.93 176.61 3hfu n ASP 188 N -4.63 2.00 -4.72 3.26 8.00 -1.03 -4.60 116.55 114.83 3hfu n ASP 188 Ca 0.20 -1.64 -0.40 0.00 0.71 0.00 0.00 54.79 53.66 3hfu n ASP 188 Cb 0.55 0.02 -0.04 0.00 -0.02 0.00 0.00 41.12 41.63 3hfu n ASP 188 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hfu s GLU 189 N -2.04 4.48 -0.28 -1.24 0.41 -0.30 -5.02 118.70 114.71 3hfu s GLU 189 Ca 0.33 1.07 -0.16 0.00 -0.41 0.00 0.00 54.97 55.81 3hfu s GLU 189 Cb 0.20 -3.44 -0.03 0.00 -1.78 0.00 0.00 34.13 29.08 3hfu s GLU 189 CO 0.34 0.05 0.40 0.15 -0.49 0.00 0.00 175.26 175.71 3hfu s LYS 190 N 0.79 3.93 0.23 1.61 1.02 -1.26 -3.64 119.74 122.41 3hfu s LYS 190 Ca 0.42 -0.00 0.06 0.00 0.02 0.00 0.00 55.97 56.47 3hfu s LYS 190 Cb -0.19 -3.69 -0.03 0.00 -0.52 0.00 0.00 37.83 33.40 3hfu s LYS 190 CO 0.22 -0.35 0.24 -0.51 -0.92 0.00 0.00 175.35 174.03 3hfu s LEU 191 N 2.12 3.98 -0.27 3.17 1.43 -0.24 -2.53 118.68 126.34 3hfu s LEU 191 Ca 0.16 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.17 3hfu s LEU 191 Cb -0.16 -2.53 0.07 0.00 0.03 0.00 0.00 46.19 43.60 3hfu s LEU 191 CO 0.10 -0.02 -0.07 -0.69 0.23 0.00 0.00 176.35 175.90 3hfu s VAL 192 N -2.01 2.12 0.31 -1.59 1.01 -0.07 -1.62 120.40 118.55 3hfu s VAL 192 Ca 0.33 -1.73 0.10 0.00 0.00 0.00 0.00 61.98 60.68 3hfu s VAL 192 Cb -0.09 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 3hfu s VAL 192 CO 0.26 -0.15 -0.09 -0.76 0.00 0.00 0.00 175.10 174.36 3hfu s LEU 193 N 1.10 2.82 0.67 3.92 1.43 -0.44 -4.50 118.68 123.68 3hfu s LEU 193 Ca -0.05 -1.00 -0.14 0.00 -1.03 0.00 0.00 54.13 51.91 3hfu s LEU 193 Cb -0.20 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 44.79 3hfu s LEU 193 CO -0.06 -0.09 1.10 -0.76 0.23 0.00 0.00 176.35 176.77 3hfu s LEU 194 N -3.61 3.34 0.66 1.79 1.43 -1.26 -1.26 118.68 119.78 3hfu s LEU 194 Ca 0.32 1.95 -0.11 0.00 -1.03 0.00 0.00 54.13 55.26 3hfu s LEU 194 Cb -0.02 -4.54 -0.01 0.00 0.03 0.00 0.00 46.19 41.64 3hfu s LEU 194 CO 0.17 -1.65 1.06 -0.94 0.23 0.00 0.00 176.35 175.22 3hfu s SER 195 N -2.74 5.79 0.55 2.29 1.04 -0.54 -4.73 113.70 115.36 3hfu s SER 195 Ca 0.66 1.23 0.44 0.00 0.48 0.00 0.00 55.95 58.75 3hfu s SER 195 Cb -0.20 -2.14 1.64 0.00 0.10 0.00 0.00 66.02 65.42 3hfu s SER 195 CO 0.43 -1.12 1.68 0.00 0.98 0.00 0.00 173.24 175.21 3hfu h ALA 196 N -0.48 3.49 -0.85 5.32 0.00 -1.95 -0.44 119.26 124.36 3hfu h ALA 196 Ca -0.45 -0.05 0.22 0.00 0.00 0.00 0.00 54.91 54.63 3hfu h ALA 196 Cb 1.23 0.12 -0.14 0.00 0.00 0.00 0.00 17.79 19.00 3hfu h ALA 196 CO 0.63 -1.96 0.16 0.93 0.00 0.00 0.00 179.25 179.01 3hfu h GLU 197 N 0.01 0.17 -6.77 0.00 5.08 -1.98 -3.42 114.58 107.67 3hfu h GLU 197 Ca 0.77 -0.01 -0.50 0.00 -1.00 0.00 0.00 59.36 58.62 3hfu h GLU 197 Cb 3.05 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 32.26 3hfu h GLU 197 CO -0.02 0.11 0.43 -0.06 -1.00 0.00 0.00 179.01 178.47 3hfu s PHE 198 N -5.99 3.72 0.25 4.33 0.40 -0.17 -4.97 117.98 115.54 3hfu s PHE 198 Ca -0.12 1.76 -0.04 0.00 -0.60 0.00 0.00 56.93 57.92 3hfu s PHE 198 Cb 0.25 -3.18 0.29 0.00 0.51 0.00 0.00 43.02 40.89 3hfu s PHE 198 CO 0.77 -0.21 1.83 0.00 0.70 0.00 0.00 175.22 178.30 3hfu h ALA 199 N 4.11 1.16 -0.46 5.36 0.00 -1.88 -2.40 119.26 125.15 3hfu h ALA 199 Ca -0.46 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.30 3hfu h ALA 199 Cb 1.21 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3hfu h ALA 199 CO 0.68 0.61 0.25 1.15 0.00 0.00 0.00 179.25 181.94 3hfu h THR 200 N 1.03 1.00 -0.40 0.00 2.02 -1.94 -0.47 112.91 114.15 3hfu h THR 200 Ca 0.24 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.25 3hfu h THR 200 Cb 0.19 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 3hfu h THR 200 CO -0.02 0.09 0.26 -0.09 0.37 0.00 0.00 175.52 176.14 3hfu h ARG 201 N 0.50 0.53 -0.55 6.66 9.65 -1.77 -0.05 114.38 129.36 3hfu h ARG 201 Ca 0.19 -0.03 0.11 0.00 -1.10 0.00 0.00 59.98 59.15 3hfu h ARG 201 Cb 0.07 -0.12 -0.09 0.00 -1.39 0.00 0.00 29.97 28.44 3hfu h ARG 201 CO -0.12 0.36 0.05 1.49 2.80 0.00 0.00 179.97 184.55 3hfu h GLU 202 N 0.55 0.16 -0.37 0.20 4.81 -0.88 0.63 114.58 119.68 3hfu h GLU 202 Ca 0.15 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3hfu h GLU 202 Cb -0.06 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 3hfu h GLU 202 CO -0.03 0.11 0.13 1.96 -0.73 0.00 0.00 179.01 180.45 3hfu h GLN 203 N 0.17 0.57 -0.29 1.92 1.08 -0.52 -1.42 115.11 116.62 3hfu h GLN 203 Ca 0.29 -0.11 0.06 0.00 -1.45 0.00 0.00 58.65 57.43 3hfu h GLN 203 Cb 0.44 -0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.72 3hfu h GLN 203 CO -0.43 0.57 -0.08 0.82 -0.95 0.00 0.00 178.83 178.76 3hfu h ILE 204 N 0.46 0.70 -0.82 2.54 2.04 0.39 0.37 117.51 123.19 3hfu h ILE 204 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.98 3hfu h ILE 204 Cb 0.22 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 3hfu h ILE 204 CO -0.01 0.00 0.52 0.44 0.00 0.00 0.00 178.15 179.11 3hfu h ASP 205 N -0.01 0.97 0.51 1.72 3.32 -0.72 -0.06 116.42 122.14 3hfu h ASP 205 Ca 0.14 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 3hfu h ASP 205 Cb 0.22 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3hfu h ASP 205 CO -0.30 0.72 -0.24 -0.74 -1.72 0.00 0.00 179.24 176.96 3hfu h HIS 206 N 1.12 -0.63 0.00 4.55 2.76 -0.39 -2.51 115.15 120.04 3hfu h HIS 206 Ca 0.30 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.45 3hfu h HIS 206 Cb -0.09 0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.08 3hfu h HIS 206 CO -0.01 -0.31 0.00 1.88 -1.30 0.00 0.00 177.93 178.19 3hfu h TYR 207 N -0.91 0.00 0.20 5.26 -1.99 -0.93 -1.73 116.97 116.87 3hfu h TYR 207 Ca -0.07 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 3hfu h TYR 207 Cb 0.60 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.34 3hfu h TYR 207 CO 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 178.16 178.07 3hfu h GLU 209 N -0.85 0.97 -0.45 0.00 3.07 -1.43 0.21 114.58 116.10 3hfu h GLU 209 Ca -0.03 -0.06 0.01 0.00 -0.50 0.00 0.00 59.36 58.78 3hfu h GLU 209 Cb 0.51 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 3hfu h GLU 209 CO 0.04 0.64 0.30 -0.22 -1.40 0.00 0.00 179.01 178.37 3hfu h LYS 210 N 1.00 0.57 -0.07 2.33 3.64 -1.26 -1.02 116.57 121.76 3hfu h LYS 210 Ca 0.46 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 3hfu h LYS 210 Cb 0.40 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3hfu h LYS 210 CO -0.22 0.38 0.00 0.00 -2.27 0.00 0.00 179.45 177.34 3hfu n ALA 211 N -2.47 2.51 -1.99 5.00 0.00 0.24 -4.93 120.51 118.88 3hfu n ALA 211 Ca 0.04 -0.59 -0.05 0.00 0.00 0.00 0.00 53.44 52.84 3hfu n ALA 211 Cb 0.07 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 18.51 3hfu n ALA 211 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hfu n GLY 212 N 1.26 0.23 3.45 0.00 0.00 -0.12 -5.03 105.19 104.97 3hfu n GLY 212 Ca 0.17 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 3hfu n GLY 212 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hfu s LEU 213 N -1.39 3.02 -0.47 0.99 1.43 0.49 -4.99 118.68 117.77 3hfu s LEU 213 Ca 0.00 -0.21 0.08 0.00 -1.03 0.00 0.00 54.13 52.97 3hfu s LEU 213 Cb 0.00 -1.71 0.29 0.00 0.03 0.00 0.00 46.19 44.80 3hfu s LEU 213 CO 0.00 0.17 0.69 1.41 0.23 0.00 0.00 176.35 178.85 3hfu n HIS 214 N 3.48 1.31 -1.82 0.29 8.25 -1.26 -3.65 115.22 121.82 3hfu n HIS 214 Ca -0.18 -3.82 -0.34 0.00 -0.26 0.00 0.00 57.72 53.12 3hfu n HIS 214 Cb 0.53 -0.43 0.05 0.00 1.12 0.00 0.00 29.99 31.25 3hfu n HIS 214 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3hfu s PRO 215 N -2.14 2.78 -0.13 -0.41 0.04 -1.26 -4.94 135.00 128.94 3hfu s PRO 215 Ca 0.40 1.58 -0.29 0.00 0.04 0.00 0.00 61.00 62.72 3hfu s PRO 215 Cb 0.23 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.83 3hfu s PRO 215 CO -0.09 -1.30 1.08 -1.14 0.04 0.00 0.00 177.00 175.59 3hfu s GLN 216 N -3.78 4.36 -0.62 4.56 0.74 -1.24 -4.96 119.66 118.71 3hfu s GLN 216 Ca 0.71 1.47 -0.18 0.00 0.05 0.00 0.00 55.36 57.42 3hfu s GLN 216 Cb -0.25 -3.58 0.12 0.00 1.10 0.00 0.00 33.01 30.41 3hfu s GLN 216 CO 0.38 -0.44 0.68 0.08 -0.55 0.00 0.00 175.29 175.44 3hfu s VAL 217 N 2.42 5.00 -0.20 1.34 1.01 -1.26 -1.08 120.40 127.63 3hfu s VAL 217 Ca 0.50 -1.32 0.17 0.00 0.00 0.00 0.00 61.98 61.33 3hfu s VAL 217 Cb -0.19 -4.47 0.06 0.00 0.00 0.00 0.00 36.38 31.78 3hfu s VAL 217 CO 0.16 -1.07 1.31 -0.37 0.00 0.00 0.00 175.10 175.12 3hfu h VAL 218 N 5.79 0.57 -3.57 2.92 -1.51 -1.65 -3.46 116.25 115.34 3hfu h VAL 218 Ca -0.23 -1.86 -0.22 0.00 -1.23 0.00 0.00 66.70 63.17 3hfu h VAL 218 Cb 1.08 2.19 -0.28 0.00 -2.13 0.00 0.00 31.29 32.15 3hfu h VAL 218 CO 1.05 0.32 -0.65 -0.63 -1.23 0.00 0.00 177.57 176.44 3hfu s ILE 219 N -3.03 -0.00 -0.02 7.19 1.01 -1.12 -5.06 121.20 120.17 3hfu s ILE 219 Ca 0.03 0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.72 3hfu s ILE 219 Cb 0.08 -0.10 -0.00 0.00 0.01 0.00 0.00 42.46 42.44 3hfu s ILE 219 CO 0.75 0.00 -0.13 -0.70 0.00 0.00 0.00 174.94 174.86 3hfu s GLU 220 N 0.09 1.26 0.04 2.79 2.12 -1.26 -1.32 118.70 122.41 3hfu s GLU 220 Ca -0.00 -0.47 -0.03 0.00 0.36 0.00 0.00 54.97 54.82 3hfu s GLU 220 Cb -0.01 -1.16 -0.02 0.00 0.26 0.00 0.00 34.13 33.20 3hfu s GLU 220 CO -0.00 0.23 0.03 0.00 -0.54 0.00 0.00 175.26 174.98 3hfu s ALA 221 N -0.07 0.12 -0.46 6.30 0.00 -0.39 -4.94 121.76 122.32 3hfu s ALA 221 Ca 0.00 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.29 3hfu s ALA 221 Cb -0.08 0.23 0.54 0.00 0.00 0.00 0.00 23.12 23.81 3hfu s ALA 221 CO 0.00 -0.29 1.76 0.27 0.00 0.00 0.00 175.76 177.51 3hfu n ASN 222 N 0.85 4.66 -3.67 0.00 6.94 -1.26 -1.47 115.26 121.31 3hfu n ASN 222 Ca -0.19 -3.73 -0.08 0.00 -0.02 0.00 0.00 54.58 50.56 3hfu n ASN 222 Cb 0.58 -0.77 -0.09 0.00 -2.36 0.00 0.00 39.78 37.14 3hfu n ASN 222 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3hfu s SER 223 N -2.02 -0.54 0.19 0.53 0.15 -1.26 -4.99 113.70 105.76 3hfu s SER 223 Ca 0.55 1.10 -0.12 0.00 0.70 0.00 0.00 55.95 58.18 3hfu s SER 223 Cb 0.46 1.27 0.16 0.00 -1.71 0.00 0.00 66.02 66.20 3hfu s SER 223 CO 0.04 -0.22 1.79 0.40 1.20 0.00 0.00 173.24 176.45 3hfu h ILE 224 N 5.78 0.95 -0.81 6.45 5.03 -1.96 -2.31 117.51 130.64 3hfu h ILE 224 Ca -0.25 -0.18 0.07 0.00 -0.12 0.00 0.00 64.86 64.38 3hfu h ILE 224 Cb 1.15 0.38 -0.06 0.00 -3.03 0.00 0.00 36.82 35.26 3hfu h ILE 224 CO 0.18 0.10 0.48 0.77 -0.68 0.00 0.00 178.15 179.00 3hfu h SER 225 N 0.52 0.74 -0.57 1.72 4.64 -1.99 0.11 113.55 118.73 3hfu h SER 225 Ca 0.24 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.58 3hfu h SER 225 Cb 0.15 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 3hfu h SER 225 CO -0.17 0.47 0.33 0.00 -0.87 0.00 0.00 176.83 176.59 3hfu h ALA 226 N 1.40 0.73 -0.09 5.18 0.00 -1.86 0.23 119.26 124.86 3hfu h ALA 226 Ca 0.36 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.20 3hfu h ALA 226 Cb 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3hfu h ALA 226 CO -0.19 0.23 -0.02 0.28 0.00 0.00 0.00 179.25 179.56 3hfu h VAL 227 N 0.77 0.92 -0.74 0.00 2.07 -0.75 -0.01 116.25 118.52 3hfu h VAL 227 Ca 0.20 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.72 3hfu h VAL 227 Cb 0.01 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3hfu h VAL 227 CO -0.04 0.00 0.47 -0.07 0.02 0.00 0.00 177.57 177.95 3hfu h LEU 228 N 0.01 0.87 -0.08 2.57 3.38 -0.59 -0.20 115.31 121.28 3hfu h LEU 228 Ca 0.04 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3hfu h LEU 228 Cb 0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3hfu h LEU 228 CO -0.09 0.66 0.02 -0.08 0.09 0.00 0.00 178.44 179.04 3hfu h GLU 229 N 1.01 0.06 -0.80 1.13 4.57 -0.04 -0.90 114.58 119.60 3hfu h GLU 229 Ca 0.27 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.44 3hfu h GLU 229 Cb -0.07 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.46 3hfu h GLU 229 CO -0.05 0.04 0.47 -0.07 -1.18 0.00 0.00 179.01 178.22 3hfu h LEU 230 N 0.06 0.97 -0.71 1.64 3.38 -0.70 -2.78 115.31 117.17 3hfu h LEU 230 Ca 0.03 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 3hfu h LEU 230 Cb 0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3hfu h LEU 230 CO -0.03 0.75 -0.34 0.40 0.09 0.00 0.00 178.44 179.31 3hfu h ILE 231 N 1.11 1.29 -0.75 1.22 5.03 -0.47 -1.98 117.51 122.96 3hfu h ILE 231 Ca 0.29 -1.47 -0.04 0.00 -0.12 0.00 0.00 64.86 63.52 3hfu h ILE 231 Cb -0.03 1.44 -0.03 0.00 -3.03 0.00 0.00 36.82 35.17 3hfu h ILE 231 CO -0.05 0.47 0.32 0.03 -0.68 0.00 0.00 178.15 178.24 3hfu h ARG 232 N 0.51 1.10 -0.01 2.37 3.08 -0.92 -2.91 114.38 117.61 3hfu h ARG 232 Ca 0.06 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3hfu h ARG 232 Cb 0.83 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3hfu h ARG 232 CO 0.07 0.88 -0.25 0.54 -1.07 0.00 0.00 179.97 180.14 3hfu n ARG 233 N -4.30 0.84 -3.06 0.04 1.74 -1.09 -4.92 116.66 105.91 3hfu n ARG 233 Ca 0.07 -0.49 -0.12 0.00 -0.77 0.00 0.00 57.85 56.54 3hfu n ARG 233 Cb 0.17 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.09 3hfu n ARG 233 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3hfu n THR 234 N -0.66 0.00 -1.50 0.55 -2.24 -0.76 -5.03 114.28 104.64 3hfu n THR 234 Ca 0.12 -1.01 -0.04 0.00 -2.27 0.00 0.00 64.05 60.85 3hfu n THR 234 Cb 0.34 0.30 0.20 0.00 -2.10 0.00 0.00 70.33 69.07 3hfu n THR 234 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3hfu n SER 235 N -1.54 2.44 -4.72 3.42 7.64 -1.26 -4.75 113.62 114.84 3hfu n SER 235 Ca -0.05 -3.82 -0.23 0.00 1.01 0.00 0.00 58.87 55.78 3hfu n SER 235 Cb 0.26 -0.62 0.11 0.00 -1.01 0.00 0.00 64.21 62.95 3hfu n SER 235 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hfu s LEU 236 N -3.27 2.96 0.25 -3.43 1.43 -1.26 -4.92 118.68 110.44 3hfu s LEU 236 Ca 0.44 -0.57 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 3hfu s LEU 236 Cb 0.40 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.88 3hfu s LEU 236 CO -0.01 -1.85 0.16 -0.94 0.23 0.00 0.00 176.35 173.94 3hfu s SER 237 N -4.77 0.84 0.19 2.29 1.04 -1.05 -4.60 113.70 107.63 3hfu s SER 237 Ca 0.67 -1.50 -0.09 0.00 0.48 0.00 0.00 55.95 55.51 3hfu s SER 237 Cb -0.04 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.46 3hfu s SER 237 CO 0.44 -0.89 0.31 0.28 0.98 0.00 0.00 173.24 174.37 3hfu s THR 238 N -3.87 0.04 -0.28 2.02 -1.32 -0.91 -0.90 115.64 110.43 3hfu s THR 238 Ca 0.39 -1.50 -0.01 0.00 -1.21 0.00 0.00 61.69 59.35 3hfu s THR 238 Cb 0.06 -2.06 0.04 0.00 -1.51 0.00 0.00 72.50 69.03 3hfu s THR 238 CO 0.16 -0.16 -0.03 -0.76 -2.21 0.00 0.00 174.62 171.62 3hfu s LEU 239 N -3.02 3.58 0.16 9.08 1.43 -1.26 -0.86 118.68 127.79 3hfu s LEU 239 Ca 0.22 -1.11 -0.11 0.00 -1.03 0.00 0.00 54.13 52.10 3hfu s LEU 239 Cb 0.03 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.57 3hfu s LEU 239 CO 0.05 -0.20 0.33 -0.76 0.23 0.00 0.00 176.35 176.00 3hfu s LEU 240 N 1.27 0.79 0.36 1.79 1.43 -0.98 -4.91 118.68 118.43 3hfu s LEU 240 Ca -0.03 -0.71 -0.28 0.00 -1.03 0.00 0.00 54.13 52.08 3hfu s LEU 240 Cb -0.18 1.43 -0.11 0.00 0.03 0.00 0.00 46.19 47.35 3hfu s LEU 240 CO -0.03 -0.90 1.45 -0.81 0.23 0.00 0.00 176.35 176.29 3hfu n PRO 241 N -0.22 2.55 -0.32 1.29 -0.04 -1.26 -0.71 135.00 136.29 3hfu n PRO 241 Ca -0.10 0.89 0.09 0.00 -0.04 0.00 0.00 63.50 64.35 3hfu n PRO 241 Cb 0.63 -2.60 0.30 0.00 -0.04 0.00 0.00 33.50 31.80 3hfu n PRO 241 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hfu h ALA 242 N 3.01 1.66 -0.88 0.55 0.00 -1.84 -2.76 119.26 119.00 3hfu h ALA 242 Ca -0.49 0.02 0.20 0.00 0.00 0.00 0.00 54.91 54.64 3hfu h ALA 242 Cb 1.25 -0.17 -0.11 0.00 0.00 0.00 0.00 17.79 18.76 3hfu h ALA 242 CO 0.65 0.09 0.41 0.00 0.00 0.00 0.00 179.25 180.40 3hfu h ALA 243 N 1.57 1.39 -0.84 0.00 0.00 -1.89 0.09 119.26 119.58 3hfu h ALA 243 Ca 0.48 0.14 0.24 0.00 0.00 0.00 0.00 54.91 55.77 3hfu h ALA 243 Cb 0.60 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3hfu h ALA 243 CO -0.25 -0.26 0.60 0.82 0.00 0.00 0.00 179.25 180.17 3hfu h ILE 244 N 0.47 0.58 -0.00 0.00 2.04 -1.77 0.25 117.51 119.09 3hfu h ILE 244 Ca 0.53 -0.01 -0.14 0.00 1.00 0.00 0.00 64.86 66.24 3hfu h ILE 244 Cb 0.94 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 3hfu h ILE 244 CO -0.48 0.00 -0.67 0.00 0.00 0.00 0.00 178.15 177.00 3hfu h ALA 245 N 1.58 0.88 0.00 1.87 0.00 -1.15 -2.74 119.26 119.70 3hfu h ALA 245 Ca 0.40 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3hfu h ALA 245 Cb 1.58 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3hfu h ALA 245 CO -0.01 0.84 0.00 0.25 0.00 0.00 0.00 179.25 180.32 3hfu n THR 246 N -3.75 1.02 1.01 0.00 -2.24 0.07 -1.91 114.28 108.50 3hfu n THR 246 Ca -0.01 0.29 0.12 0.00 -2.27 0.00 0.00 64.05 62.18 3hfu n THR 246 Cb 0.66 -1.15 0.28 0.00 -2.10 0.00 0.00 70.33 68.03 3hfu n THR 246 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hfu n GLN 247 N -1.82 0.04 -4.21 -0.78 1.13 -1.03 -4.83 117.38 105.87 3hfu n GLN 247 Ca 0.02 -0.02 -0.20 0.00 -1.94 0.00 0.00 57.00 54.86 3hfu n GLN 247 Cb 0.17 -1.50 -0.16 0.00 0.11 0.00 0.00 30.24 28.86 3hfu n GLN 247 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 3hfu s HIS 248 N -2.98 0.82 0.05 1.08 3.76 -0.80 -5.06 115.29 112.16 3hfu s HIS 248 Ca 0.12 -0.24 -0.26 0.00 -0.15 0.00 0.00 55.06 54.53 3hfu s HIS 248 Cb 0.18 -0.70 -0.17 0.00 1.11 0.00 0.00 32.58 33.00 3hfu s HIS 248 CO 0.68 -0.20 1.55 -0.44 -0.85 0.00 0.00 174.74 175.48 3hfu h ASP 249 N 7.14 -0.22 0.23 1.40 3.32 -1.88 -2.88 116.42 123.53 3hfu h ASP 249 Ca -0.37 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3hfu h ASP 249 Cb 1.16 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3hfu h ASP 249 CO 0.47 -0.03 0.00 0.61 -1.72 0.00 0.00 179.24 178.57 3hfu n GLY 250 N -0.82 -0.68 3.67 2.75 0.00 -1.26 -4.69 105.19 104.17 3hfu n GLY 250 Ca -0.09 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 3hfu n GLY 250 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hfu s LEU 251 N -2.59 3.48 -0.00 0.99 1.43 -1.09 -1.70 118.68 119.19 3hfu s LEU 251 Ca 0.11 -0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.22 3hfu s LEU 251 Cb 0.08 -1.96 -0.00 0.00 0.03 0.00 0.00 46.19 44.33 3hfu s LEU 251 CO 0.18 0.30 -0.05 -0.75 0.23 0.00 0.00 176.35 176.25 3hfu s LYS 252 N -1.43 0.40 -0.27 1.70 2.20 0.55 -4.76 119.74 118.13 3hfu s LYS 252 Ca 0.18 -0.20 -0.13 0.00 -0.36 0.00 0.00 55.97 55.46 3hfu s LYS 252 Cb -0.11 -0.38 -0.04 0.00 -1.51 0.00 0.00 37.83 35.78 3hfu s LYS 252 CO 0.09 0.10 0.30 0.00 -0.36 0.00 0.00 175.35 175.48 3hfu s ALA 253 N -0.17 3.55 -0.24 3.13 0.00 -1.26 -1.10 121.76 125.67 3hfu s ALA 253 Ca 0.01 -0.92 -0.11 0.00 0.00 0.00 0.00 51.96 50.95 3hfu s ALA 253 Cb -0.02 -2.61 -0.05 0.00 0.00 0.00 0.00 23.12 20.44 3hfu s ALA 253 CO -0.00 -0.59 0.17 0.42 0.00 0.00 0.00 175.76 175.75 3hfu s ILE 254 N 1.90 5.36 0.36 0.00 1.01 0.10 -4.90 121.20 125.03 3hfu s ILE 254 Ca 0.12 0.20 -0.27 0.00 0.00 0.00 0.00 60.65 60.70 3hfu s ILE 254 Cb -0.16 -3.51 -0.09 0.00 0.01 0.00 0.00 42.46 38.71 3hfu s ILE 254 CO 0.10 0.35 1.20 -0.44 0.00 0.00 0.00 174.94 176.15 3hfu s SER 255 N 1.01 6.73 -0.16 3.58 0.01 0.67 -0.93 113.70 124.61 3hfu s SER 255 Ca 0.08 2.43 -0.07 0.00 1.31 0.00 0.00 55.95 59.70 3hfu s SER 255 Cb -0.13 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.43 3hfu s SER 255 CO 0.04 -0.54 0.09 -0.76 0.41 0.00 0.00 173.24 172.48 3hfu s LEU 256 N -2.10 4.01 -0.20 2.44 1.43 -1.26 0.42 118.68 123.43 3hfu s LEU 256 Ca 0.52 0.21 -0.00 0.00 -1.03 0.00 0.00 54.13 53.83 3hfu s LEU 256 Cb -0.34 -2.00 0.05 0.00 0.03 0.00 0.00 46.19 43.93 3hfu s LEU 256 CO 0.43 0.25 -0.05 0.00 0.23 0.00 0.00 176.35 177.21 3hfu s ALA 257 N -0.07 1.69 0.86 4.21 0.00 0.18 -2.90 121.76 125.73 3hfu s ALA 257 Ca 0.08 -1.06 -0.12 0.00 0.00 0.00 0.00 51.96 50.86 3hfu s ALA 257 Cb -0.12 -1.26 0.11 0.00 0.00 0.00 0.00 23.12 21.85 3hfu s ALA 257 CO 0.01 -0.96 1.14 -1.25 0.00 0.00 0.00 175.76 174.69 3hfu s PRO 258 N 1.53 1.58 0.33 0.00 0.04 -1.26 -0.75 135.00 136.48 3hfu s PRO 258 Ca -0.02 0.30 -0.29 0.00 0.04 0.00 0.00 61.00 61.03 3hfu s PRO 258 Cb -0.17 -1.89 -0.11 0.00 0.04 0.00 0.00 34.50 32.38 3hfu s PRO 258 CO -0.07 -1.89 1.46 -1.25 0.04 0.00 0.00 177.00 175.28 3hfu s PRO 259 N -5.35 4.20 -0.09 0.56 0.04 -1.14 -4.55 135.00 128.67 3hfu s PRO 259 Ca 0.63 2.44 -0.12 0.00 0.04 0.00 0.00 61.00 63.99 3hfu s PRO 259 Cb -0.14 -3.03 -0.10 0.00 0.04 0.00 0.00 34.50 31.28 3hfu s PRO 259 CO 0.52 -0.45 0.40 1.25 0.04 0.00 0.00 177.00 178.75 3hfu h LEU 260 N 3.81 -0.08 -7.55 -3.56 5.85 -1.84 -3.47 115.31 108.46 3hfu h LEU 260 Ca -0.49 -0.28 -0.21 0.00 0.84 0.00 0.00 57.88 57.74 3hfu h LEU 260 Cb 1.23 0.02 -0.28 0.00 0.37 0.00 0.00 40.66 42.00 3hfu h LEU 260 CO 0.70 0.53 -0.57 -0.22 -0.34 0.00 0.00 178.44 178.54 3hfu s LEU 261 N -8.62 1.29 -0.08 2.25 2.96 -1.26 -4.90 118.68 110.33 3hfu s LEU 261 Ca -0.07 0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 54.10 3hfu s LEU 261 Cb -0.01 0.44 0.03 0.00 0.50 0.00 0.00 46.19 47.15 3hfu s LEU 261 CO 0.27 -0.07 -0.01 -1.61 -1.32 0.00 0.00 176.35 173.60 3hfu s GLU 262 N 0.36 0.73 0.18 1.98 2.02 -1.26 -1.45 118.70 121.26 3hfu s GLU 262 Ca -0.02 0.05 0.09 0.00 0.02 0.00 0.00 54.97 55.11 3hfu s GLU 262 Cb -0.04 -1.04 -0.04 0.00 0.10 0.00 0.00 34.13 33.11 3hfu s GLU 262 CO -0.01 -0.29 -0.11 1.03 0.02 0.00 0.00 175.26 175.89 3hfu s ARG 263 N 1.88 1.99 -0.30 1.61 0.52 -0.44 -4.99 118.95 119.23 3hfu s ARG 263 Ca 0.04 -1.28 -0.09 0.00 -0.52 0.00 0.00 55.73 53.87 3hfu s ARG 263 Cb -0.12 -2.13 -0.02 0.00 0.52 0.00 0.00 34.95 33.20 3hfu s ARG 263 CO -0.05 0.43 0.14 0.99 0.02 0.00 0.00 175.30 176.84 3hfu s THR 264 N -1.67 4.65 0.23 0.02 2.01 -1.26 -1.06 115.64 118.56 3hfu s THR 264 Ca 0.24 -0.31 -0.30 0.00 0.31 0.00 0.00 61.69 61.64 3hfu s THR 264 Cb -0.09 -3.32 -0.09 0.00 0.01 0.00 0.00 72.50 69.02 3hfu s THR 264 CO 0.14 0.13 1.10 0.00 -0.69 0.00 0.00 174.62 175.30 3hfu s ALA 265 N 1.63 3.39 0.03 7.40 0.00 0.32 -1.66 121.76 132.87 3hfu s ALA 265 Ca 0.05 0.85 0.01 0.00 0.00 0.00 0.00 51.96 52.87 3hfu s ALA 265 Cb -0.17 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 3hfu s ALA 265 CO 0.06 -0.17 -0.05 0.54 0.00 0.00 0.00 175.76 176.14 3hfu s VAL 266 N -0.70 0.33 -0.14 0.00 0.11 0.22 0.23 120.40 120.45 3hfu s VAL 266 Ca 0.47 -1.01 -0.16 0.00 -2.93 0.00 0.00 61.98 58.34 3hfu s VAL 266 Cb -0.31 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.04 3hfu s VAL 266 CO 0.38 -0.45 0.40 -0.76 -3.33 0.00 0.00 175.10 171.34 3hfu s LEU 267 N -1.55 4.26 -0.07 2.54 1.43 -0.19 -1.36 118.68 123.74 3hfu s LEU 267 Ca -0.13 0.68 0.02 0.00 -1.03 0.00 0.00 54.13 53.68 3hfu s LEU 267 Cb -0.10 -2.56 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 3hfu s LEU 267 CO -0.00 0.04 -0.12 -0.76 0.23 0.00 0.00 176.35 175.73 3hfu s LEU 268 N 0.59 2.86 0.06 1.79 1.43 0.30 -1.62 118.68 124.09 3hfu s LEU 268 Ca 0.22 -0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 53.00 3hfu s LEU 268 Cb -0.14 -1.60 0.03 0.00 0.03 0.00 0.00 46.19 44.50 3hfu s LEU 268 CO 0.08 0.32 0.35 0.00 0.23 0.00 0.00 176.35 177.33 3hfu s ARG 269 N -0.57 0.89 -0.02 1.70 1.70 -1.06 -0.99 118.95 120.60 3hfu s ARG 269 Ca 0.08 -0.53 -0.30 0.00 -0.47 0.00 0.00 55.73 54.52 3hfu s ARG 269 Cb -0.11 0.39 -0.03 0.00 -0.57 0.00 0.00 34.95 34.63 3hfu s ARG 269 CO 0.01 -0.31 1.02 0.50 -1.08 0.00 0.00 175.30 175.44 3hfu s ARG 270 N -2.84 4.51 0.96 3.89 3.52 -1.26 0.66 118.95 128.39 3hfu s ARG 270 Ca -0.03 1.46 -0.12 0.00 -0.13 0.00 0.00 55.73 56.91 3hfu s ARG 270 Cb 0.00 -3.47 0.17 0.00 -1.56 0.00 0.00 34.95 30.09 3hfu s ARG 270 CO -0.05 -0.14 1.09 0.15 -0.81 0.00 0.00 175.30 175.54 3hfu s LYS 271 N 1.28 0.73 -1.68 5.12 1.02 0.47 -3.54 119.74 123.14 3hfu s LYS 271 Ca 0.52 0.62 -0.17 0.00 0.02 0.00 0.00 55.97 56.96 3hfu s LYS 271 Cb -0.21 -1.76 0.15 0.00 -0.52 0.00 0.00 37.83 35.48 3hfu s LYS 271 CO 0.26 -2.55 0.79 0.09 -0.92 0.00 0.00 175.35 173.01 3hfu n ASN 272 N -4.07 -3.30 -3.70 2.83 4.13 -1.26 -4.93 115.26 104.97 3hfu n ASN 272 Ca 0.06 -0.99 -0.18 0.00 1.68 0.00 0.00 54.58 55.14 3hfu n ASN 272 Cb 0.57 -2.85 -0.17 0.00 -1.54 0.00 0.00 39.78 35.78 3hfu n ASN 272 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3hfu s SER 273 N -3.34 0.75 -0.16 6.41 0.01 -1.23 -5.13 113.70 111.01 3hfu s SER 273 Ca 0.70 0.12 -0.28 0.00 1.31 0.00 0.00 55.95 57.80 3hfu s SER 273 Cb -0.38 -0.05 -0.01 0.00 0.21 0.00 0.00 66.02 65.79 3hfu s SER 273 CO 0.92 -0.21 0.95 0.26 0.41 0.00 0.00 173.24 175.57 3hfu s TRP 274 N 1.86 3.43 0.43 2.43 0.52 -1.26 -4.94 118.94 121.42 3hfu s TRP 274 Ca 0.00 1.43 -0.11 0.00 0.02 0.00 0.00 56.10 57.44 3hfu s TRP 274 Cb -0.12 -3.14 -0.06 0.00 -1.15 0.00 0.00 33.47 28.99 3hfu s TRP 274 CO -0.04 -0.30 0.81 -0.65 0.02 0.00 0.00 176.95 176.80 3hfu s GLN 275 N 2.38 3.79 0.79 4.98 -0.21 -1.26 -5.08 119.66 125.05 3hfu s GLN 275 Ca 0.43 0.55 -0.12 0.00 0.02 0.00 0.00 55.36 56.25 3hfu s GLN 275 Cb -0.17 -2.34 0.06 0.00 1.00 0.00 0.00 33.01 31.57 3hfu s GLN 275 CO 0.13 -0.10 1.10 0.95 -2.12 0.00 0.00 175.29 175.25 3hfu s THR 276 N -2.45 3.01 0.40 -0.19 -4.23 -1.26 -4.84 115.64 106.09 3hfu s THR 276 Ca 0.52 0.33 0.07 0.00 -1.18 0.00 0.00 61.69 61.43 3hfu s THR 276 Cb -0.10 -3.13 0.27 0.00 1.34 0.00 0.00 72.50 70.87 3hfu s THR 276 CO 0.32 -0.43 2.05 0.00 -0.54 0.00 0.00 174.62 176.03 3hfu h ALA 277 N -1.04 1.69 0.11 3.99 0.00 -1.97 -1.52 119.26 120.52 3hfu h ALA 277 Ca -0.47 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3hfu h ALA 277 Cb 1.27 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3hfu h ALA 277 CO 0.61 0.28 -0.05 0.00 0.00 0.00 0.00 179.25 180.09 3hfu h ALA 278 N 1.72 -0.14 -0.57 0.00 0.00 -1.92 -0.92 119.26 117.43 3hfu h ALA 278 Ca 0.16 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.04 3hfu h ALA 278 Cb -0.06 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 3hfu h ALA 278 CO -0.04 -0.48 0.21 0.00 0.00 0.00 0.00 179.25 178.94 3hfu h ALA 279 N 0.53 0.72 -0.24 0.00 0.00 -1.72 0.76 119.26 119.31 3hfu h ALA 279 Ca -0.01 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3hfu h ALA 279 Cb 0.28 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3hfu h ALA 279 CO 0.02 -0.20 0.09 0.87 0.00 0.00 0.00 179.25 180.03 3hfu h LYS 280 N 0.38 0.37 -0.32 0.00 1.57 -1.15 -1.48 116.57 115.95 3hfu h LYS 280 Ca 0.28 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 3hfu h LYS 280 Cb 0.34 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3hfu h LYS 280 CO -0.29 0.43 0.08 0.00 -0.57 0.00 0.00 179.45 179.10 3hfu h ALA 281 N 0.92 1.55 0.55 3.86 0.00 -0.71 -1.18 119.26 124.25 3hfu h ALA 281 Ca 0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3hfu h ALA 281 Cb 0.21 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.87 3hfu h ALA 281 CO -0.00 0.34 -0.26 0.35 0.00 0.00 0.00 179.25 179.67 3hfu h PHE 282 N 0.45 -0.69 -0.36 0.00 3.57 -0.39 -3.02 116.94 116.50 3hfu h PHE 282 Ca 0.11 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.67 3hfu h PHE 282 Cb 0.17 0.23 -0.09 0.00 2.79 0.00 0.00 35.95 39.05 3hfu h PHE 282 CO 0.01 -0.40 -0.31 1.25 -2.23 0.00 0.00 178.31 176.63 3hfu h LEU 283 N -0.80 -1.01 -0.55 0.59 7.12 -0.89 0.89 115.31 120.65 3hfu h LEU 283 Ca -0.08 0.18 0.00 0.00 0.13 0.00 0.00 57.88 58.11 3hfu h LEU 283 Cb 0.59 0.48 0.00 0.00 -0.53 0.00 0.00 40.66 41.20 3hfu h LEU 283 CO 0.12 -0.31 0.00 1.41 -0.13 0.00 0.00 178.44 179.53 3hfu n HIS 284 N -5.41 0.00 0.00 1.25 8.25 -0.48 -1.57 115.22 117.26 3hfu n HIS 284 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 3hfu n HIS 284 Cb 0.33 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.44 3hfu n HIS 284 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hfu n ALA 286 N 0.03 0.00 -0.05 -1.41 0.00 0.31 -0.67 120.51 118.71 3hfu n ALA 286 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3hfu n ALA 286 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 3hfu n ALA 286 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3hfu h LEU 287 N 0.00 0.72 -1.30 0.00 3.38 -1.53 -2.83 115.31 113.75 3hfu h LEU 287 Ca 0.00 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 3hfu h LEU 287 Cb 0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3hfu h LEU 287 CO 0.00 0.99 -0.34 0.44 0.09 0.00 0.00 178.44 179.62 3hfu h ASP 288 N 0.59 0.00 1.27 -0.43 3.32 -1.16 -2.65 116.42 117.36 3hfu h ASP 288 Ca 0.06 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 3hfu h ASP 288 Cb 0.84 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 3hfu h ASP 288 CO 0.07 0.34 -0.20 0.50 -1.72 0.00 0.00 179.24 178.23 3hfu h LYS 289 N 0.00 0.00 -0.57 3.56 3.64 -1.76 -3.11 116.57 118.32 3hfu h LYS 289 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hfu h LYS 289 Cb 0.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3hfu h LYS 289 CO 0.04 0.20 0.00 0.00 -2.27 0.00 0.00 179.45 177.43 3hfu h ALA 291 N 4.20 0.66 0.00 0.00 0.00 -1.50 -3.49 119.26 119.14 3hfu h ALA 291 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hfu h ALA 291 Cb 0.84 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3hfu h ALA 291 CO 0.00 0.20 0.00 0.28 0.00 0.00 0.00 179.25 179.73