#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfu s SER 92 N 0.00 3.63 -0.21 1.61 0.15 -1.26 -1.24 113.70 116.38 3hfu s SER 92 Ca 0.00 -1.23 -0.29 0.00 0.70 0.00 0.00 55.95 55.13 3hfu s SER 92 Cb 0.00 -0.93 0.00 0.00 -1.71 0.00 0.00 66.02 63.38 3hfu s SER 92 CO 0.00 -0.31 1.10 -0.22 1.20 0.00 0.00 173.24 175.01 3hfu s LEU 93 N 1.58 4.12 -0.27 3.45 2.96 -0.27 -4.91 118.68 125.35 3hfu s LEU 93 Ca 0.01 1.47 -0.12 0.00 -0.22 0.00 0.00 54.13 55.27 3hfu s LEU 93 Cb -0.18 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 3hfu s LEU 93 CO -0.12 -0.69 0.21 -0.13 -1.32 0.00 0.00 176.35 174.30 3hfu s ARG 94 N 3.28 4.00 0.02 1.98 0.52 -1.26 -1.14 118.95 126.34 3hfu s ARG 94 Ca 0.47 -0.24 0.08 0.00 -0.52 0.00 0.00 55.73 55.52 3hfu s ARG 94 Cb -0.17 -3.63 -0.02 0.00 0.52 0.00 0.00 34.95 31.65 3hfu s ARG 94 CO 0.09 -0.13 -0.25 0.42 0.02 0.00 0.00 175.30 175.45 3hfu s ILE 95 N 1.61 1.97 0.01 1.52 1.01 0.34 -0.79 121.20 126.87 3hfu s ILE 95 Ca 0.09 -1.21 0.02 0.00 0.00 0.00 0.00 60.65 59.54 3hfu s ILE 95 Cb -0.15 -1.67 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 3hfu s ILE 95 CO 0.09 0.41 -0.05 0.00 0.00 0.00 0.00 174.94 175.39 3hfu s ALA 96 N -0.71 0.43 0.05 9.38 0.00 -0.80 -0.66 121.76 129.45 3hfu s ALA 96 Ca 0.10 -0.36 -0.08 0.00 0.00 0.00 0.00 51.96 51.63 3hfu s ALA 96 Cb -0.10 -0.06 -0.00 0.00 0.00 0.00 0.00 23.12 22.96 3hfu s ALA 96 CO 0.01 0.06 0.16 0.14 0.00 0.00 0.00 175.76 176.13 3hfu s VAL 97 N -0.46 0.13 0.60 0.00 -7.23 -0.71 -0.79 120.40 111.93 3hfu s VAL 97 Ca -0.02 -1.05 -0.16 0.00 -1.81 0.00 0.00 61.98 58.94 3hfu s VAL 97 Cb -0.04 -1.03 -0.03 0.00 0.56 0.00 0.00 36.38 35.84 3hfu s VAL 97 CO -0.00 -0.58 1.08 0.42 -0.31 0.00 0.00 175.10 175.71 3hfu s THR 98 N -2.92 3.60 0.22 5.32 -4.23 -0.71 -4.10 115.64 112.81 3hfu s THR 98 Ca -0.02 0.79 -0.03 0.00 -1.18 0.00 0.00 61.69 61.24 3hfu s THR 98 Cb 0.01 -3.30 0.34 0.00 1.34 0.00 0.00 72.50 70.88 3hfu s THR 98 CO -0.06 -0.41 1.18 -2.65 -0.54 0.00 0.00 174.62 172.14 3hfu n PRO 99 N -1.99 -0.07 -0.02 3.99 -0.02 -1.26 -2.11 135.00 133.52 3hfu n PRO 99 Ca 0.09 1.16 0.00 0.00 -2.02 0.00 0.00 63.50 62.74 3hfu n PRO 99 Cb 0.52 -1.78 0.30 0.00 -0.02 0.00 0.00 33.50 32.53 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 1.19 0.00 3.45 1.35 -1.99 -2.50 112.91 114.40 3hfu h THR 100 Ca 0.40 -0.68 -0.01 0.00 -0.55 0.00 0.00 66.41 65.56 3hfu h THR 100 Cb 0.69 0.82 -0.00 0.00 -1.73 0.00 0.00 68.15 67.92 3hfu h THR 100 CO -0.76 0.24 -0.06 -0.26 -0.25 0.00 0.00 175.52 174.44 3hfu h PHE 101 N 0.56 0.00 -0.10 4.73 -1.00 -1.79 -1.73 116.94 117.61 3hfu h PHE 101 Ca 0.13 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.87 3hfu h PHE 101 Cb 0.25 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 3hfu h PHE 101 CO 0.01 0.06 -0.12 1.15 -1.61 0.00 0.00 178.31 177.80 3hfu h THR 102 N 0.00 1.15 -0.04 -1.55 2.02 -1.57 -0.73 112.91 112.19 3hfu h THR 102 Ca -0.00 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.53 3hfu h THR 102 Cb 0.23 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 3hfu h THR 102 CO 0.01 0.20 0.00 -1.20 0.37 0.00 0.00 175.52 174.90 3hfu n SER 103 N -4.32 0.70 0.00 4.18 7.64 -0.65 -4.58 113.62 116.59 3hfu n SER 103 Ca -0.01 -1.37 0.00 0.00 1.01 0.00 0.00 58.87 58.49 3hfu n SER 103 Cb 0.24 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 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 -0.39 0.00 0.00 1.43 0.18 -1.12 -4.73 117.16 112.52 3hfu n TYR 104 Ca 0.19 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.97 3hfu n TYR 104 Cb 0.20 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.16 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 -0.61 0.00 -0.23 -3.48 7.35 -0.36 -4.59 117.46 115.53 3hfu n PHE 105 Ca 0.00 0.00 0.23 0.00 -0.76 0.00 0.00 57.45 56.92 3hfu n PHE 105 Cb 0.00 -0.20 0.59 0.00 0.35 0.00 0.00 39.48 40.23 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 0.00 0.61 0.67 -2.13 6.09 -1.63 -3.02 117.51 118.09 3hfu h ILE 106 Ca 0.00 -0.09 -0.03 0.00 -1.37 0.00 0.00 64.86 63.37 3hfu h ILE 106 Cb 0.00 0.34 0.01 0.00 0.47 0.00 0.00 36.82 37.63 3hfu h ILE 106 CO 0.00 0.05 -0.32 1.23 -3.07 0.00 0.00 178.15 176.04 3hfu h GLY 107 N 0.25 -0.93 1.12 8.18 0.00 -1.81 -3.07 103.07 106.81 3hfu h GLY 107 Ca 0.47 0.35 0.00 0.00 0.00 0.00 0.00 47.33 48.15 3hfu h GLY 107 CO -0.13 -0.34 0.55 -2.55 0.00 0.00 0.00 176.54 174.08 3hfu h PRO 108 N -0.90 1.17 -0.30 4.80 0.11 -1.78 -1.89 132.00 133.21 3hfu h PRO 108 Ca -0.09 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3hfu h PRO 108 Cb 0.69 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 31.54 3hfu h PRO 108 CO 0.15 0.80 0.00 -0.11 -0.21 0.00 0.00 178.00 178.63 3hfu n LEU 109 N -4.38 0.28 0.00 2.35 7.94 -1.16 -1.97 117.00 120.05 3hfu n LEU 109 Ca 0.10 -0.14 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 3hfu n LEU 109 Cb 0.04 -0.13 0.00 0.00 0.53 0.00 0.00 43.42 43.86 3hfu n LEU 109 CO 0.37 0.07 0.00 0.00 -1.11 0.00 0.00 177.39 176.72 3hfu n ALA 111 N 0.38 0.00 -0.04 1.96 0.00 -0.71 -1.11 120.51 120.99 3hfu n ALA 111 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3hfu n ALA 111 Cb 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.44 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 0.25 -0.49 0.00 3.32 -1.67 -1.83 116.42 116.01 3hfu h ASP 112 Ca 0.00 -0.48 0.05 0.00 0.02 0.00 0.00 57.03 56.62 3hfu h ASP 112 Cb 0.00 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.43 3hfu h ASP 112 CO 0.00 0.67 0.22 0.15 -1.72 0.00 0.00 179.24 178.56 3hfu h PHE 113 N -0.17 0.40 -0.53 4.55 3.57 -1.39 -0.29 116.94 123.07 3hfu h PHE 113 Ca 0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3hfu h PHE 113 Cb 0.60 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 3hfu h PHE 113 CO 0.09 0.17 0.33 -0.92 -2.23 0.00 0.00 178.31 175.75 3hfu h TYR 114 N 0.43 0.69 0.00 0.41 3.20 -1.80 0.21 116.97 120.10 3hfu h TYR 114 Ca 0.22 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 3hfu h TYR 114 Cb 0.18 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 3hfu h TYR 114 CO -0.12 0.46 -0.13 0.00 -1.64 0.00 0.00 178.16 176.73 3hfu h ALA 115 N 1.17 1.52 0.16 1.82 0.00 -0.54 -0.06 119.26 123.34 3hfu h ALA 115 Ca 0.19 -0.12 -0.33 0.00 0.00 0.00 0.00 54.91 54.66 3hfu h ALA 115 Cb -0.04 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.73 3hfu h ALA 115 CO -0.04 0.16 -1.65 -0.09 0.00 0.00 0.00 179.25 177.63 3hfu h ARG 116 N 0.00 0.35 -2.13 0.00 2.43 -0.37 -3.41 114.38 111.25 3hfu h ARG 116 Ca -0.00 -0.59 -0.57 0.00 -0.81 0.00 0.00 59.98 58.01 3hfu h ARG 116 Cb 0.27 0.22 -0.41 0.00 -0.42 0.00 0.00 29.97 29.64 3hfu h ARG 116 CO 0.02 1.28 -0.83 0.66 -1.51 0.00 0.00 179.97 179.59 3hfu n TYR 117 N -3.70 2.14 0.33 2.20 4.02 0.66 -4.94 117.16 117.87 3hfu n TYR 117 Ca -0.25 -3.91 0.16 0.00 -0.01 0.00 0.00 57.90 53.88 3hfu n TYR 117 Cb 1.02 -0.47 0.85 0.00 -0.02 0.00 0.00 39.34 40.72 3hfu n TYR 117 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3hfu h PRO 118 N 3.71 0.00 0.00 -0.72 0.13 -1.23 -2.17 132.00 131.72 3hfu h PRO 118 Ca 0.14 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.23 3hfu h PRO 118 Cb 0.73 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 3hfu h PRO 118 CO 0.68 0.00 -0.17 0.77 -0.23 0.00 0.00 178.00 179.05 3hfu h SER 119 N 0.00 0.00 -3.45 1.44 0.02 -1.92 -3.43 113.55 106.21 3hfu h SER 119 Ca 0.00 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.35 3hfu h SER 119 Cb 0.57 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.00 3hfu h SER 119 CO 0.00 0.17 0.08 -0.63 -1.14 0.00 0.00 176.83 175.31 3hfu s ILE 120 N -3.68 5.04 0.23 3.27 1.09 -0.82 -4.75 121.20 121.58 3hfu s ILE 120 Ca 0.01 1.10 -0.27 0.00 -1.10 0.00 0.00 60.65 60.39 3hfu s ILE 120 Cb 0.10 -3.91 -0.09 0.00 -1.06 0.00 0.00 42.46 37.50 3hfu s ILE 120 CO 0.61 0.11 0.87 0.42 -0.10 0.00 0.00 174.94 176.86 3hfu s THR 121 N 1.97 4.22 -0.03 2.92 -4.23 -0.38 -4.91 115.64 115.21 3hfu s THR 121 Ca 0.27 1.86 0.02 0.00 -1.18 0.00 0.00 61.69 62.66 3hfu s THR 121 Cb -0.16 -4.18 -0.03 0.00 1.34 0.00 0.00 72.50 69.47 3hfu s THR 121 CO 0.10 0.43 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.79 3hfu s LEU 122 N -1.37 3.23 -0.20 4.79 1.43 -1.26 -1.12 118.68 124.19 3hfu s LEU 122 Ca 0.41 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 3hfu s LEU 122 Cb -0.23 -1.79 0.05 0.00 0.03 0.00 0.00 46.19 44.25 3hfu s LEU 122 CO 0.28 0.32 -0.08 -1.58 0.23 0.00 0.00 176.35 175.52 3hfu s GLN 123 N -1.16 1.83 -0.11 1.70 2.00 -0.29 -4.95 119.66 118.66 3hfu s GLN 123 Ca 0.15 -0.80 0.02 0.00 -2.00 0.00 0.00 55.36 52.73 3hfu s GLN 123 Cb -0.11 -2.36 -0.00 0.00 0.80 0.00 0.00 33.01 31.33 3hfu s GLN 123 CO 0.05 -0.46 -0.20 -1.17 -0.50 0.00 0.00 175.29 173.01 3hfu s LEU 124 N 1.45 2.32 -0.03 3.68 1.98 -1.26 0.12 118.68 126.95 3hfu s LEU 124 Ca -0.02 -0.48 0.01 0.00 -2.89 0.00 0.00 54.13 50.75 3hfu s LEU 124 Cb -0.16 -1.49 0.02 0.00 0.66 0.00 0.00 46.19 45.22 3hfu s LEU 124 CO -0.08 0.16 -0.01 -1.10 -1.89 0.00 0.00 176.35 173.43 3hfu s GLN 125 N 0.38 0.39 -0.03 1.98 -0.21 0.16 -4.99 119.66 117.35 3hfu s GLN 125 Ca -0.15 0.02 -0.06 0.00 0.02 0.00 0.00 55.36 55.19 3hfu s GLN 125 Cb -0.17 -0.52 -0.04 0.00 1.00 0.00 0.00 33.01 33.28 3hfu s GLN 125 CO 0.07 -0.10 0.23 -1.83 -2.12 0.00 0.00 175.29 171.53 3hfu s GLU 126 N 0.88 3.53 0.51 2.91 -1.05 -1.26 -1.74 118.70 122.49 3hfu s GLU 126 Ca -0.09 -0.11 -0.14 0.00 -0.15 0.00 0.00 54.97 54.47 3hfu s GLU 126 Cb -0.13 -3.12 -0.07 0.00 -0.44 0.00 0.00 34.13 30.38 3hfu s GLU 126 CO -0.01 0.69 0.95 -1.54 0.95 0.00 0.00 175.26 176.29 3hfu s SER 128 N -1.54 6.52 0.41 0.83 1.04 -1.26 -4.90 113.70 114.79 3hfu s SER 128 Ca 0.24 1.44 0.09 0.00 0.48 0.00 0.00 55.95 58.20 3hfu s SER 128 Cb -0.13 -2.46 0.85 0.00 0.10 0.00 0.00 66.02 64.39 3hfu s SER 128 CO 0.13 -0.60 1.98 -0.61 0.98 0.00 0.00 173.24 175.12 3hfu h GLN 129 N 0.73 0.32 -0.11 4.02 4.15 -1.96 -1.90 115.11 120.37 3hfu h GLN 129 Ca -0.46 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 58.92 3hfu h GLN 129 Cb 1.19 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.81 3hfu h GLN 129 CO 0.62 0.34 0.03 0.93 -1.93 0.00 0.00 178.83 178.82 3hfu h GLU 130 N 0.32 0.08 0.52 1.69 3.07 -2.03 -0.69 114.58 117.54 3hfu h GLU 130 Ca 0.08 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.90 3hfu h GLU 130 Cb 0.19 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.09 3hfu h GLU 130 CO 0.00 0.05 -0.25 0.87 -1.40 0.00 0.00 179.01 178.28 3hfu h LYS 131 N 0.08 -0.68 -0.40 2.33 1.57 -1.85 -0.81 116.57 116.82 3hfu h LYS 131 Ca 0.05 0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.94 3hfu h LYS 131 Cb 0.03 0.15 -0.09 0.00 0.08 0.00 0.00 32.23 32.40 3hfu h LYS 131 CO -0.05 -0.45 -0.41 0.82 -0.57 0.00 0.00 179.45 178.78 3hfu h ILE 132 N -0.70 0.13 -0.22 1.86 2.04 -1.19 -1.23 117.51 118.19 3hfu h ILE 132 Ca -0.07 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.84 3hfu h ILE 132 Cb 0.54 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 3hfu h ILE 132 CO 0.12 0.00 -0.09 -0.33 0.00 0.00 0.00 178.15 177.85 3hfu h GLU 133 N -0.32 -0.05 0.00 2.37 5.08 -1.01 0.13 114.58 120.78 3hfu h GLU 133 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3hfu h GLU 133 Cb 0.58 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3hfu h GLU 133 CO -0.56 -0.03 0.00 -3.47 -1.00 0.00 0.00 179.01 173.94 3hfu n ASP 134 N -5.25 0.00 0.00 1.42 2.03 -0.32 -1.96 116.55 112.47 3hfu n ASP 134 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 3hfu n ASP 134 Cb 0.17 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 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 0.19 0.00 0.17 -2.67 4.77 0.03 -2.12 117.00 117.38 3hfu n LEU 136 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 3hfu n LEU 136 Cb 0.00 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.39 3hfu n LEU 136 CO 0.00 0.00 0.66 0.00 -1.33 0.00 0.00 177.39 176.72 3hfu n ARG 138 N -4.01 1.84 -3.10 0.00 1.74 -0.90 -4.92 116.66 107.30 3hfu n ARG 138 Ca -0.02 -1.27 -0.23 0.00 -0.77 0.00 0.00 57.85 55.56 3hfu n ARG 138 Cb 0.47 -1.38 0.03 0.00 -1.02 0.00 0.00 32.46 30.56 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 0.50 -5.65 -0.66 0.55 9.92 -0.87 -4.86 116.55 115.49 3hfu n ASP 139 Ca 0.15 -0.31 0.11 0.00 -0.53 0.00 0.00 54.79 54.22 3hfu n ASP 139 Cb 0.35 -4.57 0.04 0.00 -0.64 0.00 0.00 41.12 36.30 3hfu n ASP 139 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3hfu n GLU 140 N -4.00 1.60 -4.02 -1.24 1.02 -1.26 -4.91 120.64 107.82 3hfu n GLU 140 Ca -0.09 -1.32 -0.11 0.00 -0.02 0.00 0.00 57.16 55.62 3hfu n GLU 140 Cb 0.60 -1.47 -0.11 0.00 -0.02 0.00 0.00 31.44 30.44 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 -2.31 2.23 -0.18 -4.62 1.43 -1.26 -4.95 118.68 109.02 3hfu s LEU 141 Ca 0.22 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 3hfu s LEU 141 Cb 0.19 -0.05 -0.22 0.00 0.03 0.00 0.00 46.19 46.14 3hfu s LEU 141 CO 0.48 -0.23 0.13 0.47 0.23 0.00 0.00 176.35 177.43 3hfu n ASP 142 N 1.66 1.74 -3.85 2.29 8.00 0.03 -4.70 116.55 121.71 3hfu n ASP 142 Ca -0.22 0.07 -0.11 0.00 0.71 0.00 0.00 54.79 55.23 3hfu n ASP 142 Cb 0.55 -0.42 -0.10 0.00 -0.02 0.00 0.00 41.12 41.13 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 -2.54 0.08 0.04 2.53 1.01 -0.95 -4.83 120.40 115.73 3hfu s VAL 143 Ca -0.24 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.10 3hfu s VAL 143 Cb 0.08 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 3hfu s VAL 143 CO 0.71 -0.36 -0.06 -0.83 0.00 0.00 0.00 175.10 174.57 3hfu s GLY 144 N -1.36 0.43 -0.10 4.51 0.00 -0.58 -1.91 107.32 108.31 3hfu s GLY 144 Ca -0.14 -0.77 -0.00 0.00 0.00 0.00 0.00 44.72 43.80 3hfu s GLY 144 CO 0.02 -0.84 -0.06 -0.42 0.00 0.00 0.00 173.10 171.80 3hfu s ILE 145 N -1.73 0.88 0.00 0.90 1.01 0.03 0.13 121.20 122.41 3hfu s ILE 145 Ca -0.09 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.34 3hfu s ILE 145 Cb -0.08 -0.92 0.00 0.00 0.01 0.00 0.00 42.46 41.48 3hfu s ILE 145 CO -0.01 0.34 0.00 0.00 0.00 0.00 0.00 174.94 175.27 3hfu n ALA 146 N 4.84 0.00 -2.54 9.38 0.00 -0.28 -1.74 120.51 130.17 3hfu n ALA 146 Ca -0.13 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.05 3hfu n ALA 146 Cb 0.50 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.86 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 -1.33 2.54 0.28 0.00 0.40 -1.26 0.13 117.98 118.73 3hfu s PHE 147 Ca 0.00 -0.57 -0.14 0.00 -0.60 0.00 0.00 56.93 55.63 3hfu s PHE 147 Cb 0.00 -1.71 -0.08 0.00 0.51 0.00 0.00 43.02 41.74 3hfu s PHE 147 CO 0.00 0.40 0.67 0.00 0.70 0.00 0.00 175.22 176.99 3hfu s ALA 148 N -2.62 3.42 0.40 5.36 0.00 -0.66 -4.19 121.76 123.46 3hfu s ALA 148 Ca 0.36 -0.05 -0.12 0.00 0.00 0.00 0.00 51.96 52.15 3hfu s ALA 148 Cb 0.05 -2.66 -0.07 0.00 0.00 0.00 0.00 23.12 20.44 3hfu s ALA 148 CO 0.19 0.39 0.78 -1.25 0.00 0.00 0.00 175.76 175.88 3hfu s PRO 149 N -2.78 3.84 -0.01 0.00 0.04 -1.26 -4.68 135.00 130.15 3hfu s PRO 149 Ca 0.50 0.55 -0.19 0.00 0.04 0.00 0.00 61.00 61.90 3hfu s PRO 149 Cb -0.11 -2.38 -0.05 0.00 0.04 0.00 0.00 34.50 31.99 3hfu s PRO 149 CO 0.19 -0.01 0.54 0.08 0.04 0.00 0.00 177.00 177.84 3hfu s VAL 150 N -2.31 4.95 -0.11 -0.36 1.01 -1.26 -5.00 120.40 117.31 3hfu s VAL 150 Ca 0.52 1.12 -0.20 0.00 0.00 0.00 0.00 61.98 63.43 3hfu s VAL 150 Cb -0.10 -3.87 -0.27 0.00 0.00 0.00 0.00 36.38 32.14 3hfu s VAL 150 CO 0.28 0.45 0.61 0.45 0.00 0.00 0.00 175.10 176.89 3hfu h HIS 151 N 5.49 0.32 -2.86 5.22 -0.00 -1.98 -3.46 115.15 117.89 3hfu h HIS 151 Ca -0.46 -0.23 -0.53 0.00 -0.00 0.00 0.00 60.37 59.14 3hfu h HIS 151 Cb 1.20 -0.01 0.02 0.00 -0.00 0.00 0.00 27.41 28.62 3hfu h HIS 151 CO 0.66 1.40 0.86 0.45 -0.00 0.00 0.00 177.93 181.30 3hfu s SER 152 N -6.85 6.71 0.24 2.45 0.15 -1.26 -4.91 113.70 110.23 3hfu s SER 152 Ca -0.20 2.40 0.26 0.00 0.70 0.00 0.00 55.95 59.10 3hfu s SER 152 Cb 0.03 -2.58 0.84 0.00 -1.71 0.00 0.00 66.02 62.60 3hfu s SER 152 CO 0.74 -0.77 1.76 1.55 1.20 0.00 0.00 173.24 177.72 3hfu h PRO 153 N 7.42 0.00 0.00 5.44 0.13 -2.02 -3.15 132.00 139.82 3hfu h PRO 153 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3hfu h PRO 153 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3hfu h PRO 153 CO 0.90 0.00 -0.14 0.39 -0.23 0.00 0.00 178.00 178.92 3hfu n GLU 154 N -2.31 0.12 -3.83 0.86 1.02 -1.26 -4.84 120.64 110.39 3hfu n GLU 154 Ca 0.05 0.08 -0.33 0.00 -0.02 0.00 0.00 57.16 56.94 3hfu n GLU 154 Cb 0.39 -1.62 -0.05 0.00 -0.02 0.00 0.00 31.44 30.14 3hfu n GLU 154 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3hfu s LEU 155 N -3.64 4.35 0.11 -4.62 1.43 -1.19 -0.12 118.68 114.99 3hfu s LEU 155 Ca 0.12 0.42 0.01 0.00 -1.03 0.00 0.00 54.13 53.65 3hfu s LEU 155 Cb 0.16 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 3hfu s LEU 155 CO 0.60 0.20 0.25 -0.70 0.23 0.00 0.00 176.35 176.93 3hfu s GLU 156 N -2.18 3.45 -0.16 1.70 2.12 0.23 -4.76 118.70 119.09 3hfu s GLU 156 Ca 0.32 -0.50 -0.02 0.00 0.36 0.00 0.00 54.97 55.13 3hfu s GLU 156 Cb -0.13 -2.99 0.05 0.00 0.26 0.00 0.00 34.13 31.32 3hfu s GLU 156 CO 0.22 0.56 0.01 0.00 -0.54 0.00 0.00 175.26 175.51 3hfu s ALA 157 N -1.63 1.02 -0.28 6.30 0.00 -1.26 -2.84 121.76 123.08 3hfu s ALA 157 Ca 0.35 -0.60 -0.08 0.00 0.00 0.00 0.00 51.96 51.63 3hfu s ALA 157 Cb -0.12 -1.08 -0.02 0.00 0.00 0.00 0.00 23.12 21.91 3hfu s ALA 157 CO 0.28 -0.95 0.11 -1.50 0.00 0.00 0.00 175.76 173.70 3hfu s ILE 158 N 1.84 4.43 0.06 0.00 -1.16 -0.53 -4.91 121.20 120.93 3hfu s ILE 158 Ca 0.01 -0.29 -0.35 0.00 -0.51 0.00 0.00 60.65 59.50 3hfu s ILE 158 Cb -0.16 -3.16 -0.14 0.00 0.61 0.00 0.00 42.46 39.61 3hfu s ILE 158 CO -0.07 0.21 1.59 -2.65 -2.81 0.00 0.00 174.94 171.21 3hfu n PRO 159 N 4.95 1.81 -0.09 3.50 -0.02 -1.26 -0.81 135.00 143.08 3hfu n PRO 159 Ca -0.15 0.66 -0.18 0.00 -2.02 0.00 0.00 63.50 61.81 3hfu n PRO 159 Cb 0.50 -2.40 -0.06 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 3.97 1.40 -3.76 2.45 7.94 0.79 -4.86 117.00 124.93 3hfu n LEU 160 Ca 0.19 0.24 -0.03 0.00 -1.11 0.00 0.00 56.01 55.30 3hfu n LEU 160 Cb 0.25 -0.57 -0.01 0.00 0.53 0.00 0.00 43.42 43.62 3hfu n LEU 160 CO 0.66 0.26 0.76 -1.48 -1.11 0.00 0.00 177.39 176.48 3hfu s LEU 161 N -7.14 -0.14 -0.29 -1.96 0.05 -1.18 -4.82 118.68 103.20 3hfu s LEU 161 Ca -0.26 -0.43 -0.04 0.00 0.05 0.00 0.00 54.13 53.45 3hfu s LEU 161 Cb 0.09 2.09 0.03 0.00 -2.05 0.00 0.00 46.19 46.35 3hfu s LEU 161 CO 0.33 -0.87 0.03 -0.89 -0.55 0.00 0.00 176.35 174.40 3hfu s THR 162 N -3.04 3.42 -0.18 5.48 2.01 -1.26 0.11 115.64 122.18 3hfu s THR 162 Ca 0.14 -1.02 -0.06 0.00 0.31 0.00 0.00 61.69 61.06 3hfu s THR 162 Cb -0.01 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 3hfu s THR 162 CO 0.02 0.02 0.03 -1.83 -0.69 0.00 0.00 174.62 172.17 3hfu s GLU 163 N 1.38 3.83 -0.07 4.92 -1.05 -0.59 -4.95 118.70 122.17 3hfu s GLU 163 Ca -0.01 -0.42 0.04 0.00 -0.15 0.00 0.00 54.97 54.43 3hfu s GLU 163 Cb -0.18 -3.12 -0.02 0.00 -0.44 0.00 0.00 34.13 30.38 3hfu s GLU 163 CO -0.00 0.22 -0.19 -1.54 0.95 0.00 0.00 175.26 174.70 3hfu s SER 164 N 0.49 3.62 0.48 0.83 1.04 -1.26 -1.29 113.70 117.61 3hfu s SER 164 Ca 0.01 -0.35 -0.24 0.00 0.48 0.00 0.00 55.95 55.84 3hfu s SER 164 Cb -0.13 -0.99 -0.07 0.00 0.10 0.00 0.00 66.02 64.92 3hfu s SER 164 CO 0.02 0.27 1.36 -0.76 0.98 0.00 0.00 173.24 175.10 3hfu s LEU 165 N -0.27 4.03 0.10 2.42 1.43 -0.42 -2.63 118.68 123.34 3hfu s LEU 165 Ca 0.01 2.76 -0.02 0.00 -1.03 0.00 0.00 54.13 55.85 3hfu s LEU 165 Cb -0.13 -4.07 -0.04 0.00 0.03 0.00 0.00 46.19 41.98 3hfu s LEU 165 CO 0.03 -1.23 0.04 0.00 0.23 0.00 0.00 176.35 175.42 3hfu s ALA 166 N -1.28 0.59 -0.41 4.21 0.00 0.28 -4.63 121.76 120.51 3hfu s ALA 166 Ca 0.64 -1.27 -0.24 0.00 0.00 0.00 0.00 51.96 51.09 3hfu s ALA 166 Cb -0.40 0.59 0.02 0.00 0.00 0.00 0.00 23.12 23.32 3hfu s ALA 166 CO 0.50 -0.45 0.85 -1.17 0.00 0.00 0.00 175.76 175.49 3hfu s LEU 167 N -2.98 4.10 -0.19 0.00 2.96 -0.31 -2.21 118.68 120.05 3hfu s LEU 167 Ca 0.15 0.22 -0.12 0.00 -0.22 0.00 0.00 54.13 54.15 3hfu s LEU 167 Cb 0.07 -3.10 -0.05 0.00 0.50 0.00 0.00 46.19 43.61 3hfu s LEU 167 CO -0.04 -0.89 0.24 -0.69 -1.32 0.00 0.00 176.35 173.64 3hfu s VAL 168 N 3.41 5.33 0.19 1.68 1.01 -0.05 0.10 120.40 132.07 3hfu s VAL 168 Ca 0.34 0.40 -0.02 0.00 0.00 0.00 0.00 61.98 62.70 3hfu s VAL 168 Cb -0.12 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3hfu s VAL 168 CO 0.21 0.38 0.13 0.68 0.00 0.00 0.00 175.10 176.50 3hfu s VAL 169 N 0.66 0.02 0.65 2.92 -7.23 -0.23 -2.08 120.40 115.10 3hfu s VAL 169 Ca 0.13 -1.96 -0.08 0.00 -1.81 0.00 0.00 61.98 58.26 3hfu s VAL 169 Cb -0.13 -2.41 0.02 0.00 0.56 0.00 0.00 36.38 34.42 3hfu s VAL 169 CO 0.03 -0.07 1.00 0.00 -0.31 0.00 0.00 175.10 175.74 3hfu s ALA 170 N -4.14 3.11 0.48 1.32 0.00 -1.26 -0.55 121.76 120.72 3hfu s ALA 170 Ca 0.36 -0.58 0.24 0.00 0.00 0.00 0.00 51.96 51.98 3hfu s ALA 170 Cb 0.07 -2.78 1.43 0.00 0.00 0.00 0.00 23.12 21.84 3hfu s ALA 170 CO 0.10 -1.01 2.11 1.96 0.00 0.00 0.00 175.76 178.92 3hfu h GLN 171 N -0.43 0.00 -0.15 0.00 1.08 -1.73 -1.64 115.11 112.24 3hfu h GLN 171 Ca -0.45 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 3hfu h GLN 171 Cb 1.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 3hfu h GLN 171 CO 0.62 0.10 0.00 -2.39 -0.95 0.00 0.00 178.83 176.21 3hfu n HIS 172 N -3.92 0.19 -2.63 2.96 1.44 -1.26 -4.78 115.22 107.22 3hfu n HIS 172 Ca -0.02 -0.10 -0.41 0.00 -2.01 0.00 0.00 57.72 55.18 3hfu n HIS 172 Cb 0.19 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.26 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 -1.81 3.72 0.59 -1.40 5.04 -0.62 -4.93 115.29 115.88 3hfu s HIS 173 Ca 0.28 1.71 0.29 0.00 -1.54 0.00 0.00 55.06 55.79 3hfu s HIS 173 Cb 0.15 -3.15 1.42 0.00 0.04 0.00 0.00 32.58 31.03 3hfu s HIS 173 CO 0.22 -0.16 1.83 -1.00 -2.34 0.00 0.00 174.74 173.28 3hfu h PRO 174 N 5.38 0.00 -0.00 2.88 0.13 -1.89 0.18 132.00 138.68 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 -0.70 1.28 -0.23 0.00 0.00 178.00 179.07 3hfu n LEU 175 N -3.64 0.88 0.01 1.56 4.77 -1.26 -4.27 117.00 115.04 3hfu n LEU 175 Ca 0.10 -0.30 0.21 0.00 -0.03 0.00 0.00 56.01 56.00 3hfu n LEU 175 Cb 0.77 -0.11 0.72 0.00 -2.33 0.00 0.00 43.42 42.47 3hfu n LEU 175 CO 0.27 0.21 1.19 0.00 -1.33 0.00 0.00 177.39 177.73 3hfu h ALA 176 N 3.12 2.41 0.00 -1.18 0.00 -1.22 -0.47 119.26 121.92 3hfu h ALA 176 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hfu h ALA 176 Cb 0.52 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hfu h ALA 176 CO 0.00 -0.71 -0.01 -0.24 0.00 0.00 0.00 179.25 178.29 3hfu h VAL 177 N 0.00 0.10 -2.87 0.00 3.04 -1.75 -3.43 116.25 111.34 3hfu h VAL 177 Ca 0.25 -0.17 -0.47 0.00 -1.01 0.00 0.00 66.70 65.31 3hfu h VAL 177 Cb 1.11 1.15 0.02 0.00 -2.01 0.00 0.00 31.29 31.57 3hfu h VAL 177 CO -0.00 0.01 -0.10 -1.00 -1.01 0.00 0.00 177.57 175.47 3hfu s HIS 178 N -4.09 3.35 -0.14 3.17 4.02 -0.19 -5.00 115.29 116.41 3hfu s HIS 178 Ca -0.03 0.34 0.16 0.00 1.02 0.00 0.00 55.06 56.54 3hfu s HIS 178 Cb 0.12 -2.19 -0.22 0.00 -1.02 0.00 0.00 32.58 29.27 3hfu s HIS 178 CO 0.47 -0.21 0.11 -1.91 1.02 0.00 0.00 174.74 174.22 3hfu n GLU 179 N -2.02 1.12 -3.76 1.40 4.07 -1.26 -4.83 120.64 115.36 3hfu n GLU 179 Ca -0.01 -0.03 -0.13 0.00 -0.06 0.00 0.00 57.16 56.93 3hfu n GLU 179 Cb 0.57 -1.43 -0.10 0.00 -0.06 0.00 0.00 31.44 30.41 3hfu n GLU 179 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 3hfu s GLN 180 N -2.55 0.43 0.14 5.31 0.74 -1.26 -0.55 119.66 121.91 3hfu s GLN 180 Ca -0.08 0.41 0.02 0.00 0.05 0.00 0.00 55.36 55.76 3hfu s GLN 180 Cb 0.06 0.20 -0.04 0.00 1.10 0.00 0.00 33.01 34.33 3hfu s GLN 180 CO 0.70 -0.06 -0.03 0.14 -0.55 0.00 0.00 175.29 175.50 3hfu s VAL 181 N 0.03 0.68 0.49 1.34 -7.23 0.13 -4.87 120.40 110.97 3hfu s VAL 181 Ca -0.01 -1.96 -0.23 0.00 -1.81 0.00 0.00 61.98 57.96 3hfu s VAL 181 Cb -0.03 -1.92 -0.06 0.00 0.56 0.00 0.00 36.38 34.93 3hfu s VAL 181 CO 0.01 -0.65 1.32 0.00 -0.31 0.00 0.00 175.10 175.47 3hfu s ALA 182 N -3.65 2.98 0.47 1.32 0.00 -1.26 -0.93 121.76 120.69 3hfu s ALA 182 Ca 0.19 1.26 0.22 0.00 0.00 0.00 0.00 51.96 53.63 3hfu s ALA 182 Cb 0.06 -3.52 1.34 0.00 0.00 0.00 0.00 23.12 20.99 3hfu s ALA 182 CO 0.00 -1.13 2.08 1.25 0.00 0.00 0.00 175.76 177.96 3hfu h LEU 183 N 1.88 0.00 -2.47 0.00 5.85 -1.38 -1.76 115.31 117.43 3hfu h LEU 183 Ca -0.50 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.21 3hfu h LEU 183 Cb 1.28 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 3hfu h LEU 183 CO 0.59 0.11 -0.02 0.77 -0.34 0.00 0.00 178.44 179.56 3hfu h SER 184 N 0.00 0.00 0.00 1.25 4.64 -1.91 -2.51 113.55 115.02 3hfu h SER 184 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hfu h SER 184 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3hfu h SER 184 CO 0.01 0.02 0.05 0.03 -0.87 0.00 0.00 176.83 176.07 3hfu h ARG 185 N 0.00 0.00 -0.20 4.77 2.47 -1.69 -2.57 114.38 117.16 3hfu h ARG 185 Ca -0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 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 0.00 0.03 -0.07 0.56 0.00 0.00 179.97 180.50 3hfu h LEU 186 N 0.00 0.25 -2.03 3.04 3.38 -1.67 -2.70 115.31 115.58 3hfu h LEU 186 Ca 0.00 -0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.08 3hfu h LEU 186 Cb 0.09 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3hfu h LEU 186 CO 0.00 0.27 0.35 -0.74 0.09 0.00 0.00 178.44 178.41 3hfu h HIS 187 N 0.28 0.00 -0.03 1.13 2.76 -1.71 -1.70 115.15 115.88 3hfu h HIS 187 Ca 0.07 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 3hfu h HIS 187 Cb 0.14 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.10 3hfu h HIS 187 CO 0.00 0.00 -0.08 -0.25 -1.30 0.00 0.00 177.93 176.31 3hfu n ASP 188 N -4.22 2.68 -4.75 3.26 8.00 -1.02 -4.71 116.55 115.79 3hfu n ASP 188 Ca 0.08 -1.84 -0.39 0.00 0.71 0.00 0.00 54.79 53.35 3hfu n ASP 188 Cb 0.55 0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.68 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 -1.92 4.31 -0.39 -1.24 0.41 -0.64 -5.03 118.70 114.19 3hfu s GLU 189 Ca 0.24 0.63 -0.19 0.00 -0.41 0.00 0.00 54.97 55.25 3hfu s GLU 189 Cb 0.18 -3.37 0.01 0.00 -1.78 0.00 0.00 34.13 29.17 3hfu s GLU 189 CO 0.32 0.29 0.55 0.15 -0.49 0.00 0.00 175.26 176.08 3hfu s LYS 190 N 0.11 3.41 0.21 1.61 1.02 -1.26 -3.76 119.74 121.09 3hfu s LYS 190 Ca 0.30 -0.33 -0.00 0.00 0.02 0.00 0.00 55.97 55.96 3hfu s LYS 190 Cb -0.17 -3.88 -0.04 0.00 -0.52 0.00 0.00 37.83 33.21 3hfu s LYS 190 CO 0.15 -0.81 0.39 -0.51 -0.92 0.00 0.00 175.35 173.65 3hfu s LEU 191 N 2.51 4.22 -0.25 3.17 1.43 -0.26 -2.61 118.68 126.90 3hfu s LEU 191 Ca 0.19 0.37 0.03 0.00 -1.03 0.00 0.00 54.13 53.69 3hfu s LEU 191 Cb -0.15 -3.15 0.06 0.00 0.03 0.00 0.00 46.19 42.98 3hfu s LEU 191 CO 0.15 -0.06 -0.12 -0.69 0.23 0.00 0.00 176.35 175.87 3hfu s VAL 192 N -1.90 2.13 0.27 -1.59 1.01 -0.45 -1.40 120.40 118.48 3hfu s VAL 192 Ca 0.38 -1.55 0.11 0.00 0.00 0.00 0.00 61.98 60.92 3hfu s VAL 192 Cb -0.11 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 3hfu s VAL 192 CO 0.29 0.03 -0.17 -0.76 0.00 0.00 0.00 175.10 174.49 3hfu s LEU 193 N 1.13 2.59 0.64 3.92 1.43 -0.17 -4.41 118.68 123.82 3hfu s LEU 193 Ca -0.07 -1.05 -0.15 0.00 -1.03 0.00 0.00 54.13 51.82 3hfu s LEU 193 Cb -0.19 -0.98 -0.01 0.00 0.03 0.00 0.00 46.19 45.03 3hfu s LEU 193 CO -0.06 -0.05 1.10 -0.76 0.23 0.00 0.00 176.35 176.82 3hfu s LEU 194 N -3.48 3.43 0.72 1.79 1.43 -1.26 -1.60 118.68 119.71 3hfu s LEU 194 Ca 0.29 1.98 -0.11 0.00 -1.03 0.00 0.00 54.13 55.25 3hfu s LEU 194 Cb -0.03 -4.55 0.03 0.00 0.03 0.00 0.00 46.19 41.67 3hfu s LEU 194 CO 0.13 -1.52 1.08 -0.94 0.23 0.00 0.00 176.35 175.33 3hfu s SER 195 N -2.58 5.21 0.55 2.29 1.04 -0.25 -4.76 113.70 115.21 3hfu s SER 195 Ca 0.67 1.32 0.35 0.00 0.48 0.00 0.00 55.95 58.76 3hfu s SER 195 Cb -0.20 -2.14 1.51 0.00 0.10 0.00 0.00 66.02 65.29 3hfu s SER 195 CO 0.40 -1.51 1.78 0.00 0.98 0.00 0.00 173.24 174.89 3hfu h ALA 196 N -0.77 3.00 -0.91 5.32 0.00 -1.94 -0.28 119.26 123.68 3hfu h ALA 196 Ca -0.45 -0.04 0.24 0.00 0.00 0.00 0.00 54.91 54.66 3hfu h ALA 196 Cb 1.24 0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.98 3hfu h ALA 196 CO 0.61 -1.40 0.38 0.93 0.00 0.00 0.00 179.25 179.77 3hfu h GLU 197 N 0.00 0.34 -6.73 0.00 3.07 -1.98 -3.42 114.58 105.86 3hfu h GLU 197 Ca 0.52 -0.02 -0.50 0.00 -0.50 0.00 0.00 59.36 58.86 3hfu h GLU 197 Cb 2.19 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 30.03 3hfu h GLU 197 CO -0.01 0.22 0.42 -0.06 -1.40 0.00 0.00 179.01 178.19 3hfu s PHE 198 N -5.87 3.76 0.24 4.33 0.40 -0.12 -4.98 117.98 115.75 3hfu s PHE 198 Ca -0.11 1.77 -0.06 0.00 -0.60 0.00 0.00 56.93 57.93 3hfu s PHE 198 Cb 0.26 -3.15 0.26 0.00 0.51 0.00 0.00 43.02 40.90 3hfu s PHE 198 CO 0.78 -0.12 1.84 0.00 0.70 0.00 0.00 175.22 178.42 3hfu h ALA 199 N 4.36 1.17 -0.51 5.36 0.00 -1.88 -2.35 119.26 125.41 3hfu h ALA 199 Ca -0.45 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.33 3hfu h ALA 199 Cb 1.21 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3hfu h ALA 199 CO 0.69 0.63 0.29 1.15 0.00 0.00 0.00 179.25 182.01 3hfu h THR 200 N 1.14 1.02 -0.74 0.00 2.02 -1.94 0.24 112.91 114.66 3hfu h THR 200 Ca 0.28 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 3hfu h THR 200 Cb 0.11 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 3hfu h THR 200 CO -0.04 0.10 0.33 -0.09 0.37 0.00 0.00 175.52 176.19 3hfu h ARG 201 N 0.57 1.07 -0.40 6.66 9.65 -1.76 0.44 114.38 130.61 3hfu h ARG 201 Ca 0.21 -0.16 -0.01 0.00 -1.10 0.00 0.00 59.98 58.92 3hfu h ARG 201 Cb 0.06 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.44 3hfu h ARG 201 CO -0.12 0.84 0.22 1.49 2.80 0.00 0.00 179.97 185.21 3hfu h GLU 202 N 1.05 0.56 -0.30 0.20 4.81 -0.83 -1.32 114.58 118.75 3hfu h GLU 202 Ca 0.25 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3hfu h GLU 202 Cb 0.15 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3hfu h GLU 202 CO -0.03 0.45 0.14 1.96 -0.73 0.00 0.00 179.01 180.80 3hfu h GLN 203 N 0.52 0.43 -0.03 1.92 4.20 -0.43 -1.78 115.11 119.95 3hfu h GLN 203 Ca 0.14 -0.07 0.04 0.00 0.06 0.00 0.00 58.65 58.82 3hfu h GLN 203 Cb 0.05 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 27.70 3hfu h GLN 203 CO -0.02 0.41 -0.36 0.82 -0.67 0.00 0.00 178.83 179.01 3hfu h ILE 204 N 0.35 0.24 -0.88 2.54 2.04 -0.58 -0.44 117.51 120.78 3hfu h ILE 204 Ca 0.10 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.06 3hfu h ILE 204 Cb 0.12 0.24 -0.07 0.00 -0.74 0.00 0.00 36.82 36.37 3hfu h ILE 204 CO -0.01 0.00 0.52 0.44 0.00 0.00 0.00 178.15 179.10 3hfu h ASP 205 N -0.49 0.77 0.43 1.72 3.32 -1.14 0.14 116.42 121.16 3hfu h ASP 205 Ca 0.06 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 3hfu h ASP 205 Cb 0.59 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3hfu h ASP 205 CO -0.30 0.44 -0.20 -0.74 -1.72 0.00 0.00 179.24 176.71 3hfu h HIS 206 N 0.88 -0.53 0.00 4.55 2.76 -0.45 -2.13 115.15 120.22 3hfu h HIS 206 Ca 0.42 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.51 3hfu h HIS 206 Cb 0.36 0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 3hfu h HIS 206 CO -0.04 -0.24 -0.34 1.88 -1.30 0.00 0.00 177.93 177.89 3hfu h TYR 207 N -0.77 0.00 0.60 5.26 -1.99 -0.95 -1.60 116.97 117.52 3hfu h TYR 207 Ca -0.06 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.64 3hfu h TYR 207 Cb 0.53 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.27 3hfu h TYR 207 CO -0.00 0.34 -0.29 0.00 -0.00 0.00 0.00 178.16 178.21 3hfu h GLU 209 N -0.94 0.87 -0.48 0.00 4.81 -1.33 0.17 114.58 117.68 3hfu h GLU 209 Ca -0.08 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.16 3hfu h GLU 209 Cb 0.66 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 3hfu h GLU 209 CO 0.14 0.57 0.32 -0.22 -0.73 0.00 0.00 179.01 179.09 3hfu h LYS 210 N 0.89 0.39 -0.10 1.92 3.64 -1.05 0.43 116.57 122.69 3hfu h LYS 210 Ca 0.39 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3hfu h LYS 210 Cb 0.26 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3hfu h LYS 210 CO -0.21 0.26 0.00 0.00 -2.27 0.00 0.00 179.45 177.23 3hfu n ALA 211 N -2.51 2.51 -1.11 5.00 0.00 0.06 -4.92 120.51 119.54 3hfu n ALA 211 Ca 0.06 -0.59 -0.04 0.00 0.00 0.00 0.00 53.44 52.87 3hfu n ALA 211 Cb 0.25 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 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 1.25 0.67 3.66 0.00 0.00 0.14 -5.03 105.19 105.89 3hfu n GLY 212 Ca 0.17 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.85 3.99 -0.48 0.99 1.43 0.37 -4.97 118.68 119.17 3hfu s LEU 213 Ca 0.00 0.13 0.08 0.00 -1.03 0.00 0.00 54.13 53.31 3hfu s LEU 213 Cb 0.00 -2.03 0.34 0.00 0.03 0.00 0.00 46.19 44.52 3hfu s LEU 213 CO 0.00 0.15 0.82 1.41 0.23 0.00 0.00 176.35 178.96 3hfu n HIS 214 N 3.73 2.06 -1.12 0.29 8.25 -1.26 -3.63 115.22 123.53 3hfu n HIS 214 Ca -0.16 -3.90 -0.33 0.00 -0.26 0.00 0.00 57.72 53.06 3hfu n HIS 214 Cb 0.52 -0.45 0.13 0.00 1.12 0.00 0.00 29.99 31.30 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 -2.84 1.64 -0.19 -0.41 0.04 -1.26 -4.96 135.00 127.03 3hfu s PRO 215 Ca 0.44 1.74 -0.23 0.00 0.04 0.00 0.00 61.00 62.99 3hfu s PRO 215 Cb 0.30 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 33.04 3hfu s PRO 215 CO -0.10 -2.21 0.73 -1.14 0.04 0.00 0.00 177.00 174.32 3hfu s GLN 216 N -4.16 4.25 -0.53 4.56 0.74 -1.25 -4.99 119.66 118.28 3hfu s GLN 216 Ca 0.73 0.82 -0.17 0.00 0.05 0.00 0.00 55.36 56.78 3hfu s GLN 216 Cb -0.28 -3.58 0.10 0.00 1.10 0.00 0.00 33.01 30.35 3hfu s GLN 216 CO 0.51 -0.29 0.55 0.08 -0.55 0.00 0.00 175.29 175.59 3hfu s VAL 217 N 2.05 5.06 -0.12 1.34 1.01 -1.26 -1.10 120.40 127.38 3hfu s VAL 217 Ca 0.33 -1.12 0.15 0.00 0.00 0.00 0.00 61.98 61.35 3hfu s VAL 217 Cb -0.16 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 3hfu s VAL 217 CO 0.11 -0.87 1.19 -0.37 0.00 0.00 0.00 175.10 175.16 3hfu h VAL 218 N 5.87 0.80 -3.54 2.92 -1.51 -1.57 -3.46 116.25 115.75 3hfu h VAL 218 Ca -0.29 -2.24 -0.22 0.00 -1.23 0.00 0.00 66.70 62.72 3hfu h VAL 218 Cb 1.10 2.31 -0.28 0.00 -2.13 0.00 0.00 31.29 32.29 3hfu h VAL 218 CO 1.01 0.46 -0.64 -0.63 -1.23 0.00 0.00 177.57 176.53 3hfu s ILE 219 N -2.92 -0.01 0.10 7.19 1.01 -1.02 -5.05 121.20 120.50 3hfu s ILE 219 Ca 0.01 0.03 0.08 0.00 0.00 0.00 0.00 60.65 60.77 3hfu s ILE 219 Cb 0.08 -0.11 -0.03 0.00 0.01 0.00 0.00 42.46 42.40 3hfu s ILE 219 CO 0.78 0.01 -0.22 -1.61 0.00 0.00 0.00 174.94 173.90 3hfu s GLU 220 N 0.20 1.17 0.08 2.79 2.02 -1.26 -1.00 118.70 122.70 3hfu s GLU 220 Ca -0.01 -1.17 -0.13 0.00 0.02 0.00 0.00 54.97 53.68 3hfu s GLU 220 Cb -0.02 -1.46 0.02 0.00 0.10 0.00 0.00 34.13 32.77 3hfu s GLU 220 CO -0.01 0.34 0.30 0.00 0.02 0.00 0.00 175.26 175.91 3hfu s ALA 221 N -1.13 -0.62 -0.36 5.21 0.00 -0.63 -4.95 121.76 119.28 3hfu s ALA 221 Ca 0.07 -0.19 0.07 0.00 0.00 0.00 0.00 51.96 51.91 3hfu s ALA 221 Cb -0.10 0.47 0.56 0.00 0.00 0.00 0.00 23.12 24.05 3hfu s ALA 221 CO 0.04 -0.50 1.64 0.27 0.00 0.00 0.00 175.76 177.21 3hfu n ASN 222 N 0.18 3.10 -3.70 0.00 6.94 -1.26 -1.09 115.26 119.42 3hfu n ASN 222 Ca -0.17 -3.73 -0.11 0.00 -0.02 0.00 0.00 54.58 50.55 3hfu n ASN 222 Cb 0.61 -0.71 -0.12 0.00 -2.36 0.00 0.00 39.78 37.20 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 -2.11 -0.33 0.18 0.53 0.15 -1.26 -4.97 113.70 105.89 3hfu s SER 223 Ca 0.50 0.76 -0.10 0.00 0.70 0.00 0.00 55.95 57.80 3hfu s SER 223 Cb 0.44 0.71 0.09 0.00 -1.71 0.00 0.00 66.02 65.54 3hfu s SER 223 CO 0.04 -0.19 1.71 0.40 1.20 0.00 0.00 173.24 176.39 3hfu h ILE 224 N 5.79 1.25 -0.42 6.45 5.03 -1.96 -2.42 117.51 131.24 3hfu h ILE 224 Ca -0.34 -0.87 -0.02 0.00 -0.12 0.00 0.00 64.86 63.51 3hfu h ILE 224 Cb 1.16 0.60 -0.02 0.00 -3.03 0.00 0.00 36.82 35.53 3hfu h ILE 224 CO 0.29 0.33 0.18 0.77 -0.68 0.00 0.00 178.15 179.04 3hfu h SER 225 N 0.93 0.53 -0.39 1.72 4.64 -1.98 -0.63 113.55 118.36 3hfu h SER 225 Ca 0.20 -0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.42 3hfu h SER 225 Cb 0.31 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 3hfu h SER 225 CO -0.00 0.48 0.05 0.00 -0.87 0.00 0.00 176.83 176.48 3hfu h ALA 226 N 1.61 0.52 -0.08 5.18 0.00 -1.89 0.16 119.26 124.76 3hfu h ALA 226 Ca 0.15 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3hfu h ALA 226 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3hfu h ALA 226 CO -0.02 0.24 -0.01 0.28 0.00 0.00 0.00 179.25 179.75 3hfu h VAL 227 N 0.49 0.93 -0.92 0.00 2.07 -0.93 0.75 116.25 118.65 3hfu h VAL 227 Ca 0.12 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 3hfu h VAL 227 Cb 0.39 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 3hfu h VAL 227 CO 0.01 0.00 0.56 -0.07 0.02 0.00 0.00 177.57 178.09 3hfu h LEU 228 N 0.01 1.11 -0.08 2.57 3.38 -0.93 -0.09 115.31 121.29 3hfu h LEU 228 Ca 0.04 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3hfu h LEU 228 Cb 0.05 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3hfu h LEU 228 CO -0.07 0.85 0.03 -0.08 0.09 0.00 0.00 178.44 179.26 3hfu h GLU 229 N 1.27 0.12 -0.80 1.13 4.57 -0.24 -2.06 114.58 118.57 3hfu h GLU 229 Ca 0.33 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.54 3hfu h GLU 229 Cb -0.06 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.46 3hfu h GLU 229 CO -0.06 0.25 0.50 -0.07 -1.18 0.00 0.00 179.01 178.45 3hfu h LEU 230 N -0.04 0.80 -1.09 1.64 3.38 -0.39 -2.58 115.31 117.04 3hfu h LEU 230 Ca 0.03 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 3hfu h LEU 230 Cb 0.17 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3hfu h LEU 230 CO -0.00 0.53 -0.29 0.40 0.09 0.00 0.00 178.44 179.17 3hfu h ILE 231 N 0.94 1.26 -0.28 1.22 2.04 -0.83 -2.43 117.51 119.43 3hfu h ILE 231 Ca 0.34 -1.24 -0.10 0.00 1.00 0.00 0.00 64.86 64.85 3hfu h ILE 231 Cb 0.09 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3hfu h ILE 231 CO -0.14 0.38 -0.26 0.03 0.00 0.00 0.00 178.15 178.16 3hfu h ARG 232 N 0.25 0.54 -0.02 2.37 3.08 -0.98 -3.13 114.38 116.49 3hfu h ARG 232 Ca 0.04 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3hfu h ARG 232 Cb 0.65 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3hfu h ARG 232 CO 0.05 0.75 -0.04 0.54 -1.07 0.00 0.00 179.97 180.20 3hfu n ARG 233 N -4.11 1.73 -2.97 0.04 1.74 -1.11 -4.93 116.66 107.05 3hfu n ARG 233 Ca -0.00 -1.15 -0.10 0.00 -0.77 0.00 0.00 57.85 55.82 3hfu n ARG 233 Cb 0.42 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.35 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 0.37 0.00 -1.26 0.55 -2.24 -0.93 -5.04 114.28 105.74 3hfu n THR 234 Ca 0.17 -0.96 0.01 0.00 -2.27 0.00 0.00 64.05 60.99 3hfu n THR 234 Cb 0.42 0.35 0.22 0.00 -2.10 0.00 0.00 70.33 69.21 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 -1.86 3.02 -4.81 3.42 7.64 -1.26 -4.78 113.62 115.00 3hfu n SER 235 Ca -0.02 -3.46 -0.24 0.00 1.01 0.00 0.00 58.87 56.16 3hfu n SER 235 Cb 0.25 -0.60 0.08 0.00 -1.01 0.00 0.00 64.21 62.93 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 -3.08 3.02 0.26 -3.43 1.43 -1.26 -4.91 118.68 110.71 3hfu s LEU 236 Ca 0.43 -0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.55 3hfu s LEU 236 Cb 0.38 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 3hfu s LEU 236 CO 0.04 -1.61 0.14 -0.94 0.23 0.00 0.00 176.35 174.21 3hfu s SER 237 N -4.59 1.05 0.20 2.29 1.04 -1.07 -4.61 113.70 108.00 3hfu s SER 237 Ca 0.62 -1.48 -0.08 0.00 0.48 0.00 0.00 55.95 55.50 3hfu s SER 237 Cb -0.08 0.34 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 3hfu s SER 237 CO 0.43 -0.85 0.29 0.28 0.98 0.00 0.00 173.24 174.37 3hfu s THR 238 N -3.80 0.03 -0.22 2.02 -1.32 -0.88 -1.34 115.64 110.13 3hfu s THR 238 Ca 0.38 -1.57 -0.04 0.00 -1.21 0.00 0.00 61.69 59.24 3hfu s THR 238 Cb 0.06 -2.12 -0.01 0.00 -1.51 0.00 0.00 72.50 68.92 3hfu s THR 238 CO 0.16 -0.15 -0.04 -0.76 -2.21 0.00 0.00 174.62 171.62 3hfu s LEU 239 N -3.03 2.96 0.18 9.08 1.43 -1.26 -0.87 118.68 127.16 3hfu s LEU 239 Ca 0.24 -0.41 -0.16 0.00 -1.03 0.00 0.00 54.13 52.77 3hfu s LEU 239 Cb 0.03 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.53 3hfu s LEU 239 CO 0.06 -0.03 0.47 -0.76 0.23 0.00 0.00 176.35 176.31 3hfu s LEU 240 N 1.48 0.28 0.46 1.79 1.43 -0.94 -4.93 118.68 118.24 3hfu s LEU 240 Ca 0.05 -0.54 -0.25 0.00 -1.03 0.00 0.00 54.13 52.36 3hfu s LEU 240 Cb -0.14 1.93 -0.08 0.00 0.03 0.00 0.00 46.19 47.93 3hfu s LEU 240 CO -0.03 -1.01 1.40 -2.16 0.23 0.00 0.00 176.35 174.78 3hfu s PRO 241 N -3.89 3.66 0.27 1.29 0.04 -1.26 -0.55 135.00 134.56 3hfu s PRO 241 Ca 0.10 2.35 -0.01 0.00 0.04 0.00 0.00 61.00 63.49 3hfu s PRO 241 Cb 0.00 -2.62 0.46 0.00 0.04 0.00 0.00 34.50 32.38 3hfu s PRO 241 CO -0.03 -0.81 1.86 0.00 0.04 0.00 0.00 177.00 178.06 3hfu h ALA 242 N 2.27 1.44 -1.00 8.56 0.00 -1.82 -2.85 119.26 125.87 3hfu h ALA 242 Ca -0.51 -0.01 0.29 0.00 0.00 0.00 0.00 54.91 54.68 3hfu h ALA 242 Cb 1.27 -0.27 -0.14 0.00 0.00 0.00 0.00 17.79 18.65 3hfu h ALA 242 CO 0.61 0.36 0.58 0.00 0.00 0.00 0.00 179.25 180.80 3hfu h ALA 243 N 1.49 1.87 -0.53 0.00 0.00 -1.89 0.12 119.26 120.31 3hfu h ALA 243 Ca 0.46 0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.68 3hfu h ALA 243 Cb 0.29 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3hfu h ALA 243 CO -0.21 -0.43 0.40 0.82 0.00 0.00 0.00 179.25 179.83 3hfu h ILE 244 N 0.44 0.69 0.00 0.00 2.04 -1.79 -1.40 117.51 117.49 3hfu h ILE 244 Ca 0.69 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 66.41 3hfu h ILE 244 Cb 1.46 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 3hfu h ILE 244 CO -0.55 0.00 -0.69 0.00 0.00 0.00 0.00 178.15 176.91 3hfu h ALA 245 N 1.71 0.73 0.00 1.87 0.00 -0.95 -2.97 119.26 119.65 3hfu h ALA 245 Ca 0.25 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3hfu h ALA 245 Cb 1.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3hfu h ALA 245 CO -0.00 0.86 0.00 0.25 0.00 0.00 0.00 179.25 180.36 3hfu n THR 246 N -3.53 1.04 0.85 0.00 -2.24 -0.53 -2.08 114.28 107.79 3hfu n THR 246 Ca -0.00 0.26 0.12 0.00 -2.27 0.00 0.00 64.05 62.16 3hfu n THR 246 Cb 0.72 -1.03 0.15 0.00 -2.10 0.00 0.00 70.33 68.06 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 -1.53 0.10 -4.49 -0.78 1.13 -1.12 -4.86 117.38 105.83 3hfu n GLN 247 Ca 0.03 0.01 -0.23 0.00 -1.94 0.00 0.00 57.00 54.88 3hfu n GLN 247 Cb 0.16 -1.54 -0.16 0.00 0.11 0.00 0.00 30.24 28.81 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 -3.06 1.21 0.03 1.08 3.76 -0.89 -5.05 115.29 112.37 3hfu s HIS 248 Ca 0.08 -0.38 -0.27 0.00 -0.15 0.00 0.00 55.06 54.35 3hfu s HIS 248 Cb 0.16 -0.89 -0.17 0.00 1.11 0.00 0.00 32.58 32.79 3hfu s HIS 248 CO 0.74 -0.19 1.37 -0.44 -0.85 0.00 0.00 174.74 175.37 3hfu h ASP 249 N 6.74 -0.40 0.07 1.40 3.32 -1.89 -2.96 116.42 122.70 3hfu h ASP 249 Ca -0.33 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3hfu h ASP 249 Cb 1.17 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3hfu h ASP 249 CO 0.48 -0.11 0.00 0.61 -1.72 0.00 0.00 179.24 178.50 3hfu n GLY 250 N -0.64 -0.38 3.58 2.75 0.00 -1.26 -4.69 105.19 104.55 3hfu n GLY 250 Ca -0.10 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.29 3.09 0.01 0.99 1.43 -1.12 -1.96 118.68 118.83 3hfu s LEU 251 Ca 0.09 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 3hfu s LEU 251 Cb 0.05 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 3hfu s LEU 251 CO 0.10 0.22 -0.03 -0.75 0.23 0.00 0.00 176.35 176.11 3hfu s LYS 252 N -1.90 0.25 -0.28 1.70 2.20 0.29 -4.77 119.74 117.23 3hfu s LYS 252 Ca 0.20 -0.27 -0.09 0.00 -0.36 0.00 0.00 55.97 55.44 3hfu s LYS 252 Cb -0.11 -0.13 -0.03 0.00 -1.51 0.00 0.00 37.83 36.05 3hfu s LYS 252 CO 0.12 0.03 0.13 0.00 -0.36 0.00 0.00 175.35 175.27 3hfu s ALA 253 N -0.50 3.30 -0.22 3.13 0.00 -1.26 -1.07 121.76 125.13 3hfu s ALA 253 Ca -0.04 -1.22 -0.12 0.00 0.00 0.00 0.00 51.96 50.58 3hfu s ALA 253 Cb -0.04 -2.30 -0.05 0.00 0.00 0.00 0.00 23.12 20.73 3hfu s ALA 253 CO -0.00 -0.66 0.24 0.42 0.00 0.00 0.00 175.76 175.75 3hfu s ILE 254 N 1.65 5.31 0.50 0.00 -1.09 0.12 -4.91 121.20 122.77 3hfu s ILE 254 Ca 0.06 0.36 -0.21 0.00 -2.23 0.00 0.00 60.65 58.63 3hfu s ILE 254 Cb -0.16 -3.57 -0.07 0.00 -1.58 0.00 0.00 42.46 37.08 3hfu s ILE 254 CO 0.07 0.33 1.15 -0.44 -1.23 0.00 0.00 174.94 174.81 3hfu s SER 255 N 0.97 5.98 -0.17 3.58 0.01 0.29 -1.16 113.70 123.21 3hfu s SER 255 Ca 0.12 2.24 -0.04 0.00 1.31 0.00 0.00 55.95 59.57 3hfu s SER 255 Cb -0.14 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.47 3hfu s SER 255 CO 0.05 -1.04 -0.02 -0.76 0.41 0.00 0.00 173.24 171.88 3hfu s LEU 256 N -3.37 3.31 -0.23 2.44 1.43 -1.26 0.19 118.68 121.19 3hfu s LEU 256 Ca 0.68 -0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.67 3hfu s LEU 256 Cb -0.26 -1.81 0.05 0.00 0.03 0.00 0.00 46.19 44.20 3hfu s LEU 256 CO 0.31 0.15 -0.11 0.00 0.23 0.00 0.00 176.35 176.93 3hfu s ALA 257 N 0.47 2.27 0.95 4.21 0.00 -0.10 -2.24 121.76 127.31 3hfu s ALA 257 Ca -0.03 -1.47 -0.13 0.00 0.00 0.00 0.00 51.96 50.34 3hfu s ALA 257 Cb -0.14 -1.42 0.16 0.00 0.00 0.00 0.00 23.12 21.72 3hfu s ALA 257 CO 0.02 -0.98 1.15 -1.25 0.00 0.00 0.00 175.76 174.70 3hfu s PRO 258 N 1.26 0.82 0.56 0.00 0.04 -1.26 -1.16 135.00 135.25 3hfu s PRO 258 Ca -0.04 0.20 -0.20 0.00 0.04 0.00 0.00 61.00 61.00 3hfu s PRO 258 Cb -0.18 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 3hfu s PRO 258 CO -0.07 -2.40 1.18 -1.25 0.04 0.00 0.00 177.00 174.50 3hfu s PRO 259 N -5.33 3.22 -0.16 0.56 0.04 -0.95 -4.55 135.00 127.82 3hfu s PRO 259 Ca 0.65 1.75 -0.16 0.00 0.04 0.00 0.00 61.00 63.29 3hfu s PRO 259 Cb -0.13 -2.03 -0.13 0.00 0.04 0.00 0.00 34.50 32.25 3hfu s PRO 259 CO 0.54 -0.99 0.16 1.25 0.04 0.00 0.00 177.00 178.00 3hfu h LEU 260 N 1.17 0.00 -7.52 -3.56 5.85 -1.84 -3.48 115.31 105.92 3hfu h LEU 260 Ca -0.50 -0.37 -0.21 0.00 0.84 0.00 0.00 57.88 57.64 3hfu h LEU 260 Cb 1.28 0.00 -0.28 0.00 0.37 0.00 0.00 40.66 42.03 3hfu h LEU 260 CO 0.56 1.07 -0.56 -0.22 -0.34 0.00 0.00 178.44 178.95 3hfu s LEU 261 N -8.12 1.17 -0.07 2.25 2.96 -1.26 -4.90 118.68 110.71 3hfu s LEU 261 Ca -0.19 0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 54.01 3hfu s LEU 261 Cb 0.03 0.47 0.03 0.00 0.50 0.00 0.00 46.19 47.21 3hfu s LEU 261 CO 0.42 -0.09 -0.01 -1.61 -1.32 0.00 0.00 176.35 173.74 3hfu s GLU 262 N 0.47 0.76 0.26 1.98 2.02 -1.26 -1.30 118.70 121.63 3hfu s GLU 262 Ca -0.03 0.04 0.12 0.00 0.02 0.00 0.00 54.97 55.11 3hfu s GLU 262 Cb -0.05 -1.04 -0.05 0.00 0.10 0.00 0.00 34.13 33.09 3hfu s GLU 262 CO -0.02 -0.28 -0.20 -0.98 0.02 0.00 0.00 175.26 173.80 3hfu s ARG 263 N 1.83 1.68 -0.30 1.61 1.70 -0.41 -4.99 118.95 120.07 3hfu s ARG 263 Ca 0.03 -1.71 -0.09 0.00 -0.47 0.00 0.00 55.73 53.49 3hfu s ARG 263 Cb -0.12 -1.80 -0.01 0.00 -0.57 0.00 0.00 34.95 32.44 3hfu s ARG 263 CO -0.05 0.34 0.14 0.99 -1.08 0.00 0.00 175.30 175.64 3hfu s THR 264 N -2.36 4.62 0.37 4.99 2.01 -1.26 -1.53 115.64 122.47 3hfu s THR 264 Ca 0.28 -0.33 -0.26 0.00 0.31 0.00 0.00 61.69 61.70 3hfu s THR 264 Cb -0.06 -3.31 -0.09 0.00 0.01 0.00 0.00 72.50 69.05 3hfu s THR 264 CO 0.14 0.13 1.14 0.00 -0.69 0.00 0.00 174.62 175.34 3hfu s ALA 265 N 1.63 3.22 -0.01 7.40 0.00 0.31 -1.66 121.76 132.65 3hfu s ALA 265 Ca 0.05 0.92 -0.06 0.00 0.00 0.00 0.00 51.96 52.86 3hfu s ALA 265 Cb -0.17 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3hfu s ALA 265 CO 0.06 -0.39 0.13 0.54 0.00 0.00 0.00 175.76 176.11 3hfu s VAL 266 N -1.38 0.06 -0.05 0.00 0.11 0.34 -0.15 120.40 119.33 3hfu s VAL 266 Ca 0.54 -0.51 -0.17 0.00 -2.93 0.00 0.00 61.98 58.91 3hfu s VAL 266 Cb -0.30 -0.37 -0.05 0.00 -1.53 0.00 0.00 36.38 34.13 3hfu s VAL 266 CO 0.38 -0.28 0.45 -0.76 -3.33 0.00 0.00 175.10 171.56 3hfu s LEU 267 N -0.98 4.38 -0.00 2.54 1.43 0.01 -1.12 118.68 124.94 3hfu s LEU 267 Ca -0.11 0.90 0.06 0.00 -1.03 0.00 0.00 54.13 53.95 3hfu s LEU 267 Cb -0.06 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.48 3hfu s LEU 267 CO 0.01 0.16 -0.17 -0.76 0.23 0.00 0.00 176.35 175.82 3hfu s LEU 268 N -0.24 2.62 -0.00 1.79 1.43 0.34 -1.46 118.68 123.17 3hfu s LEU 268 Ca 0.25 -0.33 -0.25 0.00 -1.03 0.00 0.00 54.13 52.77 3hfu s LEU 268 Cb -0.16 -1.53 0.06 0.00 0.03 0.00 0.00 46.19 44.59 3hfu s LEU 268 CO 0.12 0.30 0.56 0.00 0.23 0.00 0.00 176.35 177.55 3hfu s ARG 269 N -1.09 0.99 0.02 1.70 1.70 -1.13 -1.52 118.95 119.63 3hfu s ARG 269 Ca 0.13 -0.02 -0.30 0.00 -0.47 0.00 0.00 55.73 55.06 3hfu s ARG 269 Cb -0.11 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.70 3hfu s ARG 269 CO 0.03 -0.33 1.04 0.50 -1.08 0.00 0.00 175.30 175.45 3hfu s ARG 270 N -1.77 4.53 0.93 3.89 3.52 -1.26 0.77 118.95 129.56 3hfu s ARG 270 Ca -0.09 1.51 -0.12 0.00 -0.13 0.00 0.00 55.73 56.90 3hfu s ARG 270 Cb -0.01 -3.43 0.15 0.00 -1.56 0.00 0.00 34.95 30.10 3hfu s ARG 270 CO 0.04 -0.09 1.10 0.15 -0.81 0.00 0.00 175.30 175.69 3hfu s LYS 271 N 0.96 0.99 -1.33 5.12 1.02 0.83 -3.53 119.74 123.79 3hfu s LYS 271 Ca 0.53 0.58 -0.11 0.00 0.02 0.00 0.00 55.97 57.00 3hfu s LYS 271 Cb -0.23 -1.80 0.08 0.00 -0.52 0.00 0.00 37.83 35.36 3hfu s LYS 271 CO 0.28 -2.36 0.54 0.09 -0.92 0.00 0.00 175.35 172.98 3hfu n ASN 272 N -3.93 -3.65 -3.78 2.83 3.02 -1.26 -4.93 115.26 103.57 3hfu n ASN 272 Ca 0.06 -0.48 -0.19 0.00 -0.03 0.00 0.00 54.58 53.95 3hfu n ASN 272 Cb 0.57 -3.01 -0.17 0.00 -0.61 0.00 0.00 39.78 36.56 3hfu n ASN 272 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3hfu s SER 273 N -2.80 0.75 -0.22 6.41 0.15 -1.23 -5.12 113.70 111.64 3hfu s SER 273 Ca 0.45 -0.01 -0.22 0.00 0.70 0.00 0.00 55.95 56.87 3hfu s SER 273 Cb -0.24 -0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 63.82 3hfu s SER 273 CO 0.55 -0.15 0.71 0.26 1.20 0.00 0.00 173.24 175.82 3hfu s TRP 274 N 1.42 3.34 0.53 3.44 0.23 -1.26 -4.93 118.94 121.71 3hfu s TRP 274 Ca -0.04 1.00 -0.16 0.00 -2.03 0.00 0.00 56.10 54.86 3hfu s TRP 274 Cb -0.13 -2.91 -0.07 0.00 0.03 0.00 0.00 33.47 30.39 3hfu s TRP 274 CO -0.03 -0.29 1.00 1.14 0.96 0.00 0.00 176.95 179.73 3hfu s GLN 275 N 2.35 3.86 0.77 4.98 1.03 -1.26 -5.08 119.66 126.32 3hfu s GLN 275 Ca 0.31 0.96 -0.12 0.00 0.04 0.00 0.00 55.36 56.55 3hfu s GLN 275 Cb -0.16 -2.12 0.05 0.00 0.03 0.00 0.00 33.01 30.82 3hfu s GLN 275 CO 0.09 -0.35 1.12 0.95 -2.54 0.00 0.00 175.29 174.57 3hfu s THR 276 N -2.65 2.85 0.31 3.63 -4.23 -1.26 -4.85 115.64 109.45 3hfu s THR 276 Ca 0.59 0.28 -0.01 0.00 -1.18 0.00 0.00 61.69 61.37 3hfu s THR 276 Cb -0.11 -3.21 0.26 0.00 1.34 0.00 0.00 72.50 70.78 3hfu s THR 276 CO 0.34 -0.36 1.97 0.00 -0.54 0.00 0.00 174.62 176.03 3hfu h ALA 277 N -0.92 1.44 -0.11 3.99 0.00 -1.99 -1.03 119.26 120.63 3hfu h ALA 277 Ca -0.46 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 3hfu h ALA 277 Cb 1.28 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3hfu h ALA 277 CO 0.64 0.51 0.06 0.00 0.00 0.00 0.00 179.25 180.45 3hfu h ALA 278 N 1.51 0.15 -0.79 0.00 0.00 -1.99 0.39 119.26 118.54 3hfu h ALA 278 Ca 0.27 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3hfu h ALA 278 Cb -0.10 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3hfu h ALA 278 CO -0.06 -0.30 0.52 0.00 0.00 0.00 0.00 179.25 179.42 3hfu h ALA 279 N 0.93 1.00 -0.18 0.00 0.00 -1.78 0.88 119.26 120.12 3hfu h ALA 279 Ca 0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3hfu h ALA 279 Cb 0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3hfu h ALA 279 CO -0.01 0.42 0.00 -0.22 0.00 0.00 0.00 179.25 179.45 3hfu h LYS 280 N 1.07 0.32 -0.54 0.00 1.63 -1.01 -1.41 116.57 116.63 3hfu h LYS 280 Ca 0.29 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 59.99 3hfu h LYS 280 Cb -0.12 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.45 3hfu h LYS 280 CO -0.06 0.52 0.32 0.00 -3.45 0.00 0.00 179.45 176.78 3hfu h ALA 281 N 0.78 1.54 0.31 5.00 0.00 -0.56 -1.52 119.26 124.81 3hfu h ALA 281 Ca 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hfu h ALA 281 Cb 0.38 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3hfu h ALA 281 CO 0.01 0.40 -0.15 0.35 0.00 0.00 0.00 179.25 179.86 3hfu h PHE 282 N 0.75 -0.38 -0.44 0.00 3.57 -0.47 -2.93 116.94 117.04 3hfu h PHE 282 Ca 0.20 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.76 3hfu h PHE 282 Cb -0.01 0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.79 3hfu h PHE 282 CO 0.00 -0.19 0.07 -0.07 -2.23 0.00 0.00 178.31 175.89 3hfu h LEU 283 N -0.49 -0.04 -0.57 0.59 4.07 -0.81 -0.43 115.31 117.63 3hfu h LEU 283 Ca -0.04 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.00 3hfu h LEU 283 Cb 0.37 0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.23 3hfu h LEU 283 CO 0.07 0.01 0.00 1.41 -1.08 0.00 0.00 178.44 178.85 3hfu n HIS 284 N -5.13 0.00 0.00 1.13 8.25 -0.61 -1.57 115.22 117.28 3hfu n HIS 284 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3hfu n HIS 284 Cb 0.21 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 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 0.05 0.00 -0.02 -1.41 0.00 -0.17 -0.57 120.51 118.38 3hfu n ALA 286 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3hfu n ALA 286 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.77 -1.56 0.00 3.38 -1.55 -3.07 115.31 113.28 3hfu h LEU 287 Ca 0.00 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 3hfu h LEU 287 Cb 0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3hfu h LEU 287 CO 0.00 1.19 -0.22 0.44 0.09 0.00 0.00 178.44 179.94 3hfu h ASP 288 N 0.51 0.00 1.56 -0.43 5.19 -1.10 -0.87 116.42 121.28 3hfu h ASP 288 Ca -0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3hfu h ASP 288 Cb 1.18 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 3hfu h ASP 288 CO 0.12 0.22 0.00 0.50 -3.12 0.00 0.00 179.24 176.96 3hfu h LYS 289 N 0.00 0.00 -0.00 3.56 3.64 -1.79 -3.26 116.57 118.72 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 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3hfu h LYS 289 CO 0.03 0.00 -0.48 0.00 -2.27 0.00 0.00 179.45 176.73 3hfu s ALA 291 N -1.97 3.94 0.00 0.00 0.00 -0.39 -4.99 121.76 118.36 3hfu s ALA 291 Ca 0.05 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.05 3hfu s ALA 291 Cb 0.08 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.37 3hfu s ALA 291 CO 0.43 -1.48 0.00 1.55 0.00 0.00 0.00 175.76 176.26