#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfu n GLY 91 N 0.00 1.26 3.75 5.14 0.00 -1.25 -4.64 105.19 109.46 3hfu n GLY 91 Ca 0.00 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 3hfu n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hfu s SER 92 N -1.00 4.08 -0.30 1.61 0.15 -1.26 -0.11 113.70 116.87 3hfu s SER 92 Ca 0.00 -1.66 -0.06 0.00 0.70 0.00 0.00 55.95 54.93 3hfu s SER 92 Cb 0.00 0.53 0.18 0.00 -1.71 0.00 0.00 66.02 65.02 3hfu s SER 92 CO 0.00 -0.86 0.79 -0.22 1.20 0.00 0.00 173.24 174.15 3hfu s LEU 93 N -3.87 -1.00 -0.24 3.45 2.96 -0.49 -4.81 118.68 114.68 3hfu s LEU 93 Ca 0.06 0.63 -0.16 0.00 -0.22 0.00 0.00 54.13 54.44 3hfu s LEU 93 Cb 0.02 1.84 -0.04 0.00 0.50 0.00 0.00 46.19 48.51 3hfu s LEU 93 CO 0.03 -0.19 0.42 -0.13 -1.32 0.00 0.00 176.35 175.16 3hfu s ARG 94 N 2.90 4.09 0.02 1.98 0.52 -1.26 -1.55 118.95 125.65 3hfu s ARG 94 Ca 0.12 0.17 0.08 0.00 -0.52 0.00 0.00 55.73 55.58 3hfu s ARG 94 Cb -0.13 -3.61 -0.02 0.00 0.52 0.00 0.00 34.95 31.71 3hfu s ARG 94 CO -0.17 -0.20 -0.25 0.42 0.02 0.00 0.00 175.30 175.13 3hfu s ILE 95 N 1.81 1.98 -0.00 1.52 -1.09 0.26 -1.15 121.20 124.53 3hfu s ILE 95 Ca 0.18 -1.23 0.00 0.00 -2.23 0.00 0.00 60.65 57.37 3hfu s ILE 95 Cb -0.15 -1.68 0.01 0.00 -1.58 0.00 0.00 42.46 39.05 3hfu s ILE 95 CO 0.09 0.41 0.00 0.00 -1.23 0.00 0.00 174.94 174.21 3hfu s ALA 96 N -0.71 0.02 0.07 9.38 0.00 -0.82 -0.97 121.76 128.72 3hfu s ALA 96 Ca 0.10 0.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.09 3hfu s ALA 96 Cb -0.10 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 3hfu s ALA 96 CO 0.01 -0.02 0.01 0.14 0.00 0.00 0.00 175.76 175.90 3hfu s VAL 97 N 0.19 0.19 0.47 0.00 -7.23 -0.48 -1.46 120.40 112.07 3hfu s VAL 97 Ca -0.02 -1.76 -0.20 0.00 -1.81 0.00 0.00 61.98 58.20 3hfu s VAL 97 Cb -0.02 -1.58 -0.09 0.00 0.56 0.00 0.00 36.38 35.24 3hfu s VAL 97 CO -0.01 -0.88 1.00 0.42 -0.31 0.00 0.00 175.10 175.33 3hfu s THR 98 N -3.93 4.05 0.18 5.32 -4.23 -0.74 -4.12 115.64 112.16 3hfu s THR 98 Ca 0.09 1.26 -0.08 0.00 -1.18 0.00 0.00 61.69 61.78 3hfu s THR 98 Cb 0.08 -3.51 0.25 0.00 1.34 0.00 0.00 72.50 70.65 3hfu s THR 98 CO -0.08 -0.29 1.07 -2.65 -0.54 0.00 0.00 174.62 172.13 3hfu n PRO 99 N -0.88 -0.11 0.26 3.99 -0.02 -1.26 -1.88 135.00 135.10 3hfu n PRO 99 Ca 0.08 1.07 0.08 0.00 -2.02 0.00 0.00 63.50 62.71 3hfu n PRO 99 Cb 0.53 -1.59 0.65 0.00 -0.02 0.00 0.00 33.50 33.07 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 0.98 0.00 3.45 1.35 -1.99 -2.51 112.91 114.19 3hfu h THR 100 Ca 0.29 -0.04 -0.03 0.00 -0.55 0.00 0.00 66.41 66.07 3hfu h THR 100 Cb 0.46 1.02 -0.00 0.00 -1.73 0.00 0.00 68.15 67.90 3hfu h THR 100 CO -0.70 0.01 -0.17 -0.26 -0.25 0.00 0.00 175.52 174.16 3hfu h PHE 101 N 0.00 0.00 -0.11 4.73 -1.00 -1.75 -2.74 116.94 116.07 3hfu h PHE 101 Ca -0.00 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.70 3hfu h PHE 101 Cb 0.02 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.57 3hfu h PHE 101 CO 0.00 0.17 -0.27 1.15 -1.61 0.00 0.00 178.31 177.74 3hfu h THR 102 N 0.00 1.24 -0.13 -1.55 2.02 -1.56 -0.81 112.91 112.11 3hfu h THR 102 Ca -0.00 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.03 3hfu h THR 102 Cb 0.71 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 3hfu h THR 102 CO 0.02 0.34 0.00 -1.20 0.37 0.00 0.00 175.52 175.06 3hfu n SER 103 N -4.15 0.82 0.00 4.18 7.64 -1.03 -4.49 113.62 116.59 3hfu n SER 103 Ca -0.01 -1.86 0.00 0.00 1.01 0.00 0.00 58.87 58.01 3hfu n SER 103 Cb 0.37 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 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 -0.11 0.00 -0.01 1.43 0.18 -1.16 -4.70 117.16 112.79 3hfu n TYR 104 Ca 0.08 0.00 -0.00 0.00 1.88 0.00 0.00 57.90 59.86 3hfu n TYR 104 Cb 0.15 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.11 3hfu n TYR 104 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3hfu h PHE 105 N 0.00 0.00 -0.94 -3.48 3.57 -1.44 -3.42 116.94 111.22 3hfu h PHE 105 Ca 0.00 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.66 3hfu h PHE 105 Cb 0.00 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.66 3hfu h PHE 105 CO 0.00 0.00 0.60 0.97 -2.23 0.00 0.00 178.31 177.65 3hfu h ILE 106 N -0.11 0.80 0.38 1.41 6.09 -1.60 -3.07 117.51 121.40 3hfu h ILE 106 Ca 0.00 -0.25 -0.01 0.00 -1.37 0.00 0.00 64.86 63.22 3hfu h ILE 106 Cb 0.05 -0.00 -0.01 0.00 0.47 0.00 0.00 36.82 37.32 3hfu h ILE 106 CO 0.00 0.13 -0.35 1.23 -3.07 0.00 0.00 178.15 176.10 3hfu h GLY 107 N 0.74 -1.08 0.82 8.18 0.00 -1.79 -2.95 103.07 106.99 3hfu h GLY 107 Ca 0.49 0.49 0.08 0.00 0.00 0.00 0.00 47.33 48.39 3hfu h GLY 107 CO -0.26 -0.34 0.56 -2.55 0.00 0.00 0.00 176.54 173.95 3hfu h PRO 108 N -0.71 0.87 -0.88 4.80 0.11 -1.80 -2.04 132.00 132.35 3hfu h PRO 108 Ca -0.05 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3hfu h PRO 108 Cb 0.61 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.52 3hfu h PRO 108 CO -0.02 0.57 0.00 -0.11 -0.21 0.00 0.00 178.00 178.23 3hfu n LEU 109 N -4.51 0.83 0.00 2.35 7.94 -1.11 -1.98 117.00 120.52 3hfu n LEU 109 Ca 0.14 -0.42 0.00 0.00 -1.11 0.00 0.00 56.01 54.62 3hfu n LEU 109 Cb 0.26 -0.23 0.00 0.00 0.53 0.00 0.00 43.42 43.98 3hfu n LEU 109 CO 0.32 0.16 0.00 0.00 -1.11 0.00 0.00 177.39 176.76 3hfu n ALA 111 N 0.46 0.00 -0.04 1.96 0.00 -0.77 -1.39 120.51 120.73 3hfu n ALA 111 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3hfu n ALA 111 Cb 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.55 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 0.24 -0.53 0.00 5.19 -1.66 -0.79 116.42 118.86 3hfu h ASP 112 Ca 0.00 -0.30 0.03 0.00 -0.62 0.00 0.00 57.03 56.14 3hfu h ASP 112 Cb 0.00 -0.06 -0.04 0.00 0.18 0.00 0.00 39.33 39.41 3hfu h ASP 112 CO 0.00 0.48 0.31 0.15 -3.12 0.00 0.00 179.24 177.06 3hfu h PHE 113 N -0.01 0.58 -0.54 4.55 3.57 -1.50 -1.01 116.94 122.59 3hfu h PHE 113 Ca 0.04 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3hfu h PHE 113 Cb 0.35 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 3hfu h PHE 113 CO 0.03 0.33 0.29 -0.92 -2.23 0.00 0.00 178.31 175.81 3hfu h TYR 114 N 0.62 0.74 -0.05 0.41 3.20 -1.78 0.23 116.97 120.33 3hfu h TYR 114 Ca 0.22 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 3hfu h TYR 114 Cb 0.04 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 3hfu h TYR 114 CO -0.07 0.54 -0.18 0.00 -1.64 0.00 0.00 178.16 176.81 3hfu h ALA 115 N 1.13 1.60 0.12 1.82 0.00 -0.71 -0.34 119.26 122.88 3hfu h ALA 115 Ca 0.19 -0.20 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 3hfu h ALA 115 Cb 0.05 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 17.82 3hfu h ALA 115 CO -0.03 0.30 -1.10 -0.09 0.00 0.00 0.00 179.25 178.33 3hfu h ARG 116 N 0.08 0.53 -2.13 0.00 2.43 -0.63 -3.39 114.38 111.27 3hfu h ARG 116 Ca 0.01 -0.73 -0.54 0.00 -0.81 0.00 0.00 59.98 57.91 3hfu h ARG 116 Cb 0.38 0.25 -0.41 0.00 -0.42 0.00 0.00 29.97 29.77 3hfu h ARG 116 CO 0.03 1.33 -0.92 0.66 -1.51 0.00 0.00 179.97 179.55 3hfu n TYR 117 N -3.91 1.96 0.29 2.20 4.01 0.75 -4.95 117.16 117.52 3hfu n TYR 117 Ca -0.14 -3.90 0.09 0.00 -0.16 0.00 0.00 57.90 53.80 3hfu n TYR 117 Cb 0.92 -0.45 0.49 0.00 -0.31 0.00 0.00 39.34 39.99 3hfu n TYR 117 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3hfu h PRO 118 N 3.20 0.00 0.00 -0.72 0.13 -1.27 -0.83 132.00 132.51 3hfu h PRO 118 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3hfu h PRO 118 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3hfu h PRO 118 CO 0.65 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.08 3hfu h SER 119 N 0.00 0.00 -3.40 1.44 4.64 -1.93 -3.44 113.55 110.87 3hfu h SER 119 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 3hfu h SER 119 Cb 1.03 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.03 3hfu h SER 119 CO 0.00 0.00 0.19 -0.63 -0.87 0.00 0.00 176.83 175.52 3hfu s ILE 120 N -3.27 4.98 0.04 0.95 -1.09 -0.32 -3.91 121.20 118.59 3hfu s ILE 120 Ca 0.07 1.27 -0.27 0.00 -2.23 0.00 0.00 60.65 59.49 3hfu s ILE 120 Cb 0.08 -3.98 -0.05 0.00 -1.58 0.00 0.00 42.46 36.92 3hfu s ILE 120 CO 0.61 0.07 0.83 0.42 -1.23 0.00 0.00 174.94 175.64 3hfu s THR 121 N 2.11 4.73 0.01 2.92 -4.23 0.84 -4.95 115.64 117.07 3hfu s THR 121 Ca 0.30 1.76 0.02 0.00 -1.18 0.00 0.00 61.69 62.60 3hfu s THR 121 Cb -0.16 -4.18 -0.04 0.00 1.34 0.00 0.00 72.50 69.47 3hfu s THR 121 CO 0.10 0.32 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.73 3hfu s LEU 122 N 0.17 3.45 -0.18 4.79 1.43 -1.26 -1.39 118.68 125.69 3hfu s LEU 122 Ca 0.42 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 3hfu s LEU 122 Cb -0.21 -2.00 0.04 0.00 0.03 0.00 0.00 46.19 44.06 3hfu s LEU 122 CO 0.25 0.27 -0.07 -1.58 0.23 0.00 0.00 176.35 175.44 3hfu s GLN 123 N -1.60 1.70 -0.12 1.70 2.00 -0.60 -4.96 119.66 117.79 3hfu s GLN 123 Ca 0.20 -0.67 0.02 0.00 -2.00 0.00 0.00 55.36 52.90 3hfu s GLN 123 Cb -0.11 -2.21 -0.01 0.00 0.80 0.00 0.00 33.01 31.48 3hfu s GLN 123 CO 0.10 -0.43 -0.18 -1.17 -0.50 0.00 0.00 175.29 173.11 3hfu s LEU 124 N 1.52 2.43 -0.02 3.68 1.98 -1.26 0.91 118.68 127.92 3hfu s LEU 124 Ca -0.00 -0.44 0.00 0.00 -2.89 0.00 0.00 54.13 50.79 3hfu s LEU 124 Cb -0.16 -1.52 0.02 0.00 0.66 0.00 0.00 46.19 45.19 3hfu s LEU 124 CO -0.08 0.15 0.02 -1.10 -1.89 0.00 0.00 176.35 173.45 3hfu s GLN 125 N 0.41 -0.02 -0.00 1.98 -0.21 -0.15 -4.99 119.66 116.68 3hfu s GLN 125 Ca -0.13 0.14 -0.01 0.00 0.02 0.00 0.00 55.36 55.38 3hfu s GLN 125 Cb -0.17 -0.20 -0.04 0.00 1.00 0.00 0.00 33.01 33.61 3hfu s GLN 125 CO 0.06 -0.13 0.13 -1.83 -2.12 0.00 0.00 175.29 171.41 3hfu s GLU 126 N 0.82 3.24 0.52 2.91 -1.05 -1.26 -1.39 118.70 122.50 3hfu s GLU 126 Ca -0.07 -0.42 -0.19 0.00 -0.15 0.00 0.00 54.97 54.15 3hfu s GLU 126 Cb -0.10 -2.97 -0.07 0.00 -0.44 0.00 0.00 34.13 30.55 3hfu s GLU 126 CO -0.02 0.66 1.04 -1.54 0.95 0.00 0.00 175.26 176.35 3hfu s SER 128 N -1.89 6.19 0.43 0.83 1.04 -1.26 -4.93 113.70 114.11 3hfu s SER 128 Ca 0.26 1.89 0.09 0.00 0.48 0.00 0.00 55.95 58.67 3hfu s SER 128 Cb -0.12 -2.55 0.92 0.00 0.10 0.00 0.00 66.02 64.37 3hfu s SER 128 CO 0.17 -0.88 2.05 -0.61 0.98 0.00 0.00 173.24 174.95 3hfu h GLN 129 N 1.23 0.40 -0.80 4.02 4.15 -1.96 -1.61 115.11 120.55 3hfu h GLN 129 Ca -0.49 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 58.91 3hfu h GLN 129 Cb 1.22 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.78 3hfu h GLN 129 CO 0.59 0.30 0.52 0.93 -1.93 0.00 0.00 178.83 179.24 3hfu h GLU 130 N 0.41 1.03 -0.19 1.69 3.07 -2.03 0.05 114.58 118.62 3hfu h GLU 130 Ca 0.11 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 58.81 3hfu h GLU 130 Cb 0.01 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 27.69 3hfu h GLU 130 CO -0.02 0.68 -0.24 0.87 -1.40 0.00 0.00 179.01 178.90 3hfu h LYS 131 N 1.06 0.49 0.35 2.33 1.57 -1.77 -2.02 116.57 118.59 3hfu h LYS 131 Ca 0.30 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3hfu h LYS 131 Cb -0.10 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3hfu h LYS 131 CO -0.07 0.87 -0.35 0.82 -0.57 0.00 0.00 179.45 180.15 3hfu h ILE 132 N 0.15 0.29 -0.44 1.86 2.04 -0.98 -2.79 117.51 117.63 3hfu h ILE 132 Ca 0.02 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.97 3hfu h ILE 132 Cb 0.81 0.29 -0.10 0.00 -0.74 0.00 0.00 36.82 37.08 3hfu h ILE 132 CO 0.06 0.00 -0.24 -0.33 0.00 0.00 0.00 178.15 177.63 3hfu h GLU 133 N -0.72 -0.15 0.00 2.37 5.08 -1.01 0.59 114.58 120.74 3hfu h GLU 133 Ca -0.02 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3hfu h GLU 133 Cb 0.65 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3hfu h GLU 133 CO -0.06 -0.10 0.00 -3.47 -1.00 0.00 0.00 179.01 174.38 3hfu n ASP 134 N -5.40 0.00 0.00 1.42 2.03 -0.76 -1.51 116.55 112.32 3hfu n ASP 134 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 3hfu n ASP 134 Cb 0.32 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 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 -0.11 -2.67 4.77 0.20 -2.00 117.00 117.37 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 0.32 0.00 -2.33 0.00 0.00 43.42 41.41 3hfu n LEU 136 CO 0.00 0.00 1.18 0.00 -1.33 0.00 0.00 177.39 177.24 3hfu n ARG 138 N -4.43 2.79 -2.58 0.00 1.74 -0.85 -4.90 116.66 108.43 3hfu n ARG 138 Ca 0.05 -1.74 -0.18 0.00 -0.77 0.00 0.00 57.85 55.22 3hfu n ARG 138 Cb 0.06 -1.71 -0.00 0.00 -1.02 0.00 0.00 32.46 29.79 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 0.53 -4.97 -0.07 0.55 8.00 -0.73 -4.84 116.55 115.02 3hfu n ASP 139 Ca 0.16 -0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.77 3hfu n ASP 139 Cb 0.63 -4.14 0.14 0.00 -0.02 0.00 0.00 41.12 37.73 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 -3.13 0.20 -4.02 -1.24 1.02 -1.26 -4.90 120.64 107.30 3hfu n GLU 140 Ca -0.17 -0.14 -0.11 0.00 -0.02 0.00 0.00 57.16 56.72 3hfu n GLU 140 Cb 0.64 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.45 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 -2.90 2.24 -0.17 -4.62 1.43 -1.26 -4.96 118.68 108.45 3hfu s LEU 141 Ca 0.12 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 52.68 3hfu s LEU 141 Cb 0.17 -0.03 -0.23 0.00 0.03 0.00 0.00 46.19 46.13 3hfu s LEU 141 CO 0.72 -0.24 0.17 0.47 0.23 0.00 0.00 176.35 177.70 3hfu n ASP 142 N 1.59 2.08 -3.93 2.29 8.00 -0.30 -4.70 116.55 121.58 3hfu n ASP 142 Ca -0.23 0.11 -0.10 0.00 0.71 0.00 0.00 54.79 55.28 3hfu n ASP 142 Cb 0.55 -0.73 -0.11 0.00 -0.02 0.00 0.00 41.12 40.82 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 0.09 0.12 2.53 1.01 -0.84 -4.79 120.40 115.97 3hfu s VAL 143 Ca -0.27 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 60.96 3hfu s VAL 143 Cb 0.07 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 3hfu s VAL 143 CO 0.71 -0.43 -0.08 -0.83 0.00 0.00 0.00 175.10 174.47 3hfu s GLY 144 N -1.36 0.88 -0.09 4.51 0.00 0.07 -1.95 107.32 109.38 3hfu s GLY 144 Ca -0.15 -1.39 -0.03 0.00 0.00 0.00 0.00 44.72 43.16 3hfu s GLY 144 CO 0.00 -1.49 0.11 -0.42 0.00 0.00 0.00 173.10 171.30 3hfu s ILE 145 N -3.41 -0.17 0.00 0.90 1.01 -0.54 0.82 121.20 119.81 3hfu s ILE 145 Ca 0.13 0.28 0.00 0.00 0.00 0.00 0.00 60.65 61.06 3hfu s ILE 145 Cb 0.04 -0.30 0.00 0.00 0.01 0.00 0.00 42.46 42.21 3hfu s ILE 145 CO -0.02 0.07 0.00 0.00 0.00 0.00 0.00 174.94 174.99 3hfu n ALA 146 N 5.31 0.00 -2.54 9.38 0.00 -0.57 -1.80 120.51 130.29 3hfu n ALA 146 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.14 3hfu n ALA 146 Cb 0.50 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 -0.99 2.39 0.23 0.00 0.40 -1.26 0.11 117.98 118.86 3hfu s PHE 147 Ca 0.00 -0.50 -0.17 0.00 -0.60 0.00 0.00 56.93 55.66 3hfu s PHE 147 Cb 0.00 -1.38 -0.08 0.00 0.51 0.00 0.00 43.02 42.07 3hfu s PHE 147 CO 0.00 0.58 0.69 0.00 0.70 0.00 0.00 175.22 177.19 3hfu s ALA 148 N -2.62 3.43 0.30 5.36 0.00 -0.73 -4.14 121.76 123.36 3hfu s ALA 148 Ca 0.32 0.07 -0.17 0.00 0.00 0.00 0.00 51.96 52.18 3hfu s ALA 148 Cb 0.02 -2.74 -0.09 0.00 0.00 0.00 0.00 23.12 20.32 3hfu s ALA 148 CO 0.16 0.36 0.75 -1.25 0.00 0.00 0.00 175.76 175.78 3hfu s PRO 149 N -2.21 4.11 0.05 0.00 0.04 -1.26 -4.65 135.00 131.08 3hfu s PRO 149 Ca 0.44 0.77 -0.24 0.00 0.04 0.00 0.00 61.00 62.02 3hfu s PRO 149 Cb -0.15 -2.56 -0.06 0.00 0.04 0.00 0.00 34.50 31.77 3hfu s PRO 149 CO 0.20 0.22 0.73 0.08 0.04 0.00 0.00 177.00 178.27 3hfu s VAL 150 N -1.85 4.72 -0.10 -0.36 1.01 -1.26 -4.99 120.40 117.58 3hfu s VAL 150 Ca 0.51 1.56 -0.11 0.00 0.00 0.00 0.00 61.98 63.94 3hfu s VAL 150 Cb -0.12 -4.08 -0.28 0.00 0.00 0.00 0.00 36.38 31.90 3hfu s VAL 150 CO 0.18 0.39 0.50 0.45 0.00 0.00 0.00 175.10 176.63 3hfu h HIS 151 N 5.49 0.54 -2.98 5.22 -0.00 -1.98 -3.46 115.15 117.98 3hfu h HIS 151 Ca -0.45 -0.39 -0.55 0.00 -0.00 0.00 0.00 60.37 58.98 3hfu h HIS 151 Cb 1.20 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.58 3hfu h HIS 151 CO 0.65 1.70 0.78 0.45 -0.00 0.00 0.00 177.93 181.51 3hfu s SER 152 N -7.13 6.93 0.16 2.45 0.15 -1.26 -4.93 113.70 110.07 3hfu s SER 152 Ca -0.20 1.99 0.25 0.00 0.70 0.00 0.00 55.95 58.69 3hfu s SER 152 Cb 0.06 -2.56 0.92 0.00 -1.71 0.00 0.00 66.02 62.73 3hfu s SER 152 CO 0.79 -0.67 1.77 -0.81 1.20 0.00 0.00 173.24 175.52 3hfu n PRO 153 N 5.31 0.17 0.00 5.44 -0.04 -1.26 -3.01 135.00 141.60 3hfu n PRO 153 Ca 0.12 0.22 0.14 0.00 -0.04 0.00 0.00 63.50 63.94 3hfu n PRO 153 Cb 0.45 -1.73 0.56 0.00 -0.04 0.00 0.00 33.50 32.74 3hfu n PRO 153 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3hfu n GLU 154 N -2.02 0.86 -4.05 0.54 4.71 -1.26 -4.85 120.64 114.57 3hfu n GLU 154 Ca 0.05 -0.37 -0.33 0.00 -0.01 0.00 0.00 57.16 56.50 3hfu n GLU 154 Cb 0.34 -1.49 -0.06 0.00 -1.01 0.00 0.00 31.44 29.22 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 -2.40 4.00 0.10 -4.62 1.43 -1.16 -0.72 118.68 115.31 3hfu s LEU 155 Ca 0.30 0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.59 3hfu s LEU 155 Cb 0.20 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 3hfu s LEU 155 CO 0.46 0.25 0.18 -0.70 0.23 0.00 0.00 176.35 176.77 3hfu s GLU 156 N -1.90 3.21 -0.15 1.70 2.12 0.29 -4.76 118.70 119.21 3hfu s GLU 156 Ca 0.25 -0.60 -0.01 0.00 0.36 0.00 0.00 54.97 54.97 3hfu s GLU 156 Cb -0.12 -2.89 0.04 0.00 0.26 0.00 0.00 34.13 31.43 3hfu s GLU 156 CO 0.17 0.56 -0.02 0.00 -0.54 0.00 0.00 175.26 175.43 3hfu s ALA 157 N -1.55 1.22 -0.32 6.30 0.00 -1.26 -2.73 121.76 123.41 3hfu s ALA 157 Ca 0.33 -0.66 -0.09 0.00 0.00 0.00 0.00 51.96 51.54 3hfu s ALA 157 Cb -0.12 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 21.95 3hfu s ALA 157 CO 0.26 -0.80 0.15 0.42 0.00 0.00 0.00 175.76 175.79 3hfu s ILE 158 N 1.75 4.41 0.03 0.00 -1.09 -0.76 -4.91 121.20 120.63 3hfu s ILE 158 Ca 0.01 -0.61 -0.36 0.00 -2.23 0.00 0.00 60.65 57.45 3hfu s ILE 158 Cb -0.15 -3.31 -0.15 0.00 -1.58 0.00 0.00 42.46 37.26 3hfu s ILE 158 CO -0.07 -0.01 1.51 -2.65 -1.23 0.00 0.00 174.94 172.49 3hfu n PRO 159 N 4.95 1.49 -0.09 2.79 -0.02 -1.26 -1.15 135.00 141.70 3hfu n PRO 159 Ca -0.13 0.54 -0.17 0.00 -2.02 0.00 0.00 63.50 61.71 3hfu n PRO 159 Cb 0.48 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.66 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 3.58 1.71 -3.85 2.45 7.94 0.92 -4.86 117.00 124.89 3hfu n LEU 160 Ca 0.20 0.29 -0.04 0.00 -1.11 0.00 0.00 56.01 55.34 3hfu n LEU 160 Cb 0.21 -0.68 0.02 0.00 0.53 0.00 0.00 43.42 43.50 3hfu n LEU 160 CO 0.67 0.10 0.74 -1.48 -1.11 0.00 0.00 177.39 176.31 3hfu s LEU 161 N -7.49 -0.02 -0.27 -1.96 0.05 -1.19 -4.79 118.68 103.02 3hfu s LEU 161 Ca -0.29 -0.75 -0.00 0.00 0.05 0.00 0.00 54.13 53.14 3hfu s LEU 161 Cb 0.08 2.26 0.04 0.00 -2.05 0.00 0.00 46.19 46.53 3hfu s LEU 161 CO 0.39 -1.14 -0.06 -0.89 -0.55 0.00 0.00 176.35 174.10 3hfu s THR 162 N -2.33 2.71 -0.27 5.48 2.01 -1.26 0.12 115.64 122.09 3hfu s THR 162 Ca 0.19 -1.31 -0.10 0.00 0.31 0.00 0.00 61.69 60.78 3hfu s THR 162 Cb -0.03 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 3hfu s THR 162 CO 0.06 0.04 0.15 -0.70 -0.69 0.00 0.00 174.62 173.48 3hfu s GLU 163 N 1.24 3.87 -0.07 4.92 2.12 -0.63 -4.96 118.70 125.19 3hfu s GLU 163 Ca -0.04 -0.36 0.03 0.00 0.36 0.00 0.00 54.97 54.96 3hfu s GLU 163 Cb -0.18 -3.55 -0.02 0.00 0.26 0.00 0.00 34.13 30.64 3hfu s GLU 163 CO -0.04 -0.16 -0.17 -1.54 -0.54 0.00 0.00 175.26 172.81 3hfu s SER 164 N 1.65 3.71 0.40 -1.70 1.04 -1.26 -0.89 113.70 116.65 3hfu s SER 164 Ca 0.07 -0.34 -0.26 0.00 0.48 0.00 0.00 55.95 55.90 3hfu s SER 164 Cb -0.16 -1.06 -0.09 0.00 0.10 0.00 0.00 66.02 64.82 3hfu s SER 164 CO 0.08 0.26 1.28 -0.76 0.98 0.00 0.00 173.24 175.09 3hfu s LEU 165 N -0.24 4.21 0.22 2.42 1.43 -0.72 -2.38 118.68 123.62 3hfu s LEU 165 Ca 0.00 2.61 0.00 0.00 -1.03 0.00 0.00 54.13 55.72 3hfu s LEU 165 Cb -0.13 -3.92 -0.05 0.00 0.03 0.00 0.00 46.19 42.13 3hfu s LEU 165 CO 0.03 -0.82 0.09 0.00 0.23 0.00 0.00 176.35 175.88 3hfu s ALA 166 N -1.28 1.42 -0.42 4.21 0.00 0.12 -4.63 121.76 121.18 3hfu s ALA 166 Ca 0.57 -1.74 -0.20 0.00 0.00 0.00 0.00 51.96 50.58 3hfu s ALA 166 Cb -0.37 1.08 0.02 0.00 0.00 0.00 0.00 23.12 23.85 3hfu s ALA 166 CO 0.47 -0.49 0.61 -1.17 0.00 0.00 0.00 175.76 175.19 3hfu s LEU 167 N -3.22 4.48 -0.22 0.00 2.96 -0.36 -2.32 118.68 119.99 3hfu s LEU 167 Ca 0.35 -0.26 -0.12 0.00 -0.22 0.00 0.00 54.13 53.88 3hfu s LEU 167 Cb 0.07 -2.70 -0.05 0.00 0.50 0.00 0.00 46.19 44.02 3hfu s LEU 167 CO 0.11 -0.71 0.23 -0.69 -1.32 0.00 0.00 176.35 173.97 3hfu s VAL 168 N 2.71 5.32 0.22 1.68 1.01 -0.14 -0.26 120.40 130.94 3hfu s VAL 168 Ca 0.22 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.55 3hfu s VAL 168 Cb -0.14 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 3hfu s VAL 168 CO 0.17 0.33 0.14 0.68 0.00 0.00 0.00 175.10 176.42 3hfu s VAL 169 N 1.02 0.08 0.64 2.92 -7.23 -0.39 -2.20 120.40 115.24 3hfu s VAL 169 Ca 0.11 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.19 3hfu s VAL 169 Cb -0.14 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.29 3hfu s VAL 169 CO 0.05 0.00 1.00 0.00 -0.31 0.00 0.00 175.10 175.84 3hfu s ALA 170 N -4.04 3.09 0.46 1.32 0.00 -1.26 -0.50 121.76 120.83 3hfu s ALA 170 Ca 0.39 -0.45 0.27 0.00 0.00 0.00 0.00 51.96 52.17 3hfu s ALA 170 Cb 0.07 -2.85 1.53 0.00 0.00 0.00 0.00 23.12 21.86 3hfu s ALA 170 CO 0.14 -0.92 2.11 1.96 0.00 0.00 0.00 175.76 179.05 3hfu h GLN 171 N -0.39 0.00 -0.24 0.00 1.08 -1.71 -1.39 115.11 112.46 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 1.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 3hfu h GLN 171 CO 0.62 0.09 0.00 -2.39 -0.95 0.00 0.00 178.83 176.21 3hfu n HIS 172 N -3.72 0.32 -2.77 2.96 1.44 -1.26 -4.78 115.22 107.41 3hfu n HIS 172 Ca -0.02 -0.16 -0.41 0.00 -2.01 0.00 0.00 57.72 55.12 3hfu n HIS 172 Cb 0.20 0.00 -0.05 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 -1.68 3.81 0.58 -1.40 5.04 -0.52 -4.93 115.29 116.18 3hfu s HIS 173 Ca 0.21 1.75 0.30 0.00 -1.54 0.00 0.00 55.06 55.78 3hfu s HIS 173 Cb 0.11 -3.02 1.42 0.00 0.04 0.00 0.00 32.58 31.13 3hfu s HIS 173 CO 0.15 0.23 1.81 -1.00 -2.34 0.00 0.00 174.74 173.59 3hfu h PRO 174 N 5.55 0.00 0.00 2.88 0.13 -1.88 -0.05 132.00 138.63 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 -0.81 1.28 -0.23 0.00 0.00 178.00 178.95 3hfu n LEU 175 N -3.76 0.71 0.09 1.56 4.77 -1.26 -4.29 117.00 114.82 3hfu n LEU 175 Ca 0.13 -0.20 0.20 0.00 -0.03 0.00 0.00 56.01 56.11 3hfu n LEU 175 Cb 0.87 -0.12 0.75 0.00 -2.33 0.00 0.00 43.42 42.60 3hfu n LEU 175 CO 0.30 0.16 1.18 0.00 -1.33 0.00 0.00 177.39 177.69 3hfu h ALA 176 N 2.90 2.13 0.00 -1.18 0.00 -1.26 -0.09 119.26 121.76 3hfu h ALA 176 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3hfu h ALA 176 Cb 0.55 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3hfu h ALA 176 CO 0.00 -0.62 -0.02 -0.39 0.00 0.00 0.00 179.25 178.22 3hfu h VAL 177 N 0.00 0.18 -2.36 0.00 -1.51 -1.75 -3.43 116.25 107.38 3hfu h VAL 177 Ca 0.19 -0.22 -0.46 0.00 -1.23 0.00 0.00 66.70 64.98 3hfu h VAL 177 Cb 1.01 1.18 -0.00 0.00 -2.13 0.00 0.00 31.29 31.35 3hfu h VAL 177 CO -0.00 0.02 -0.34 -1.00 -1.23 0.00 0.00 177.57 175.02 3hfu s HIS 178 N -4.12 3.43 -0.15 5.19 4.02 -0.05 -5.01 115.29 118.60 3hfu s HIS 178 Ca -0.03 0.08 0.17 0.00 1.02 0.00 0.00 55.06 56.29 3hfu s HIS 178 Cb 0.12 -1.73 -0.24 0.00 -1.02 0.00 0.00 32.58 29.71 3hfu s HIS 178 CO 0.49 0.27 0.14 -0.85 1.02 0.00 0.00 174.74 175.81 3hfu n GLU 179 N -1.57 0.97 -3.84 1.40 0.28 -1.26 -4.81 120.64 111.81 3hfu n GLU 179 Ca -0.07 -0.04 -0.12 0.00 -0.16 0.00 0.00 57.16 56.77 3hfu n GLU 179 Cb 0.57 -1.46 -0.12 0.00 1.43 0.00 0.00 31.44 31.86 3hfu n GLU 179 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 3hfu s GLN 180 N -2.62 0.19 0.11 3.44 0.74 -1.26 0.23 119.66 120.48 3hfu s GLN 180 Ca -0.08 0.06 -0.00 0.00 0.05 0.00 0.00 55.36 55.38 3hfu s GLN 180 Cb 0.07 0.09 -0.04 0.00 1.10 0.00 0.00 33.01 34.22 3hfu s GLN 180 CO 0.75 -0.03 0.00 0.14 -0.55 0.00 0.00 175.29 175.60 3hfu s VAL 181 N -0.19 0.30 0.36 1.34 -7.23 0.79 -4.89 120.40 110.88 3hfu s VAL 181 Ca -0.03 -1.89 -0.28 0.00 -1.81 0.00 0.00 61.98 57.98 3hfu s VAL 181 Cb -0.02 -1.84 -0.10 0.00 0.56 0.00 0.00 36.38 34.98 3hfu s VAL 181 CO 0.00 -0.69 1.31 0.00 -0.31 0.00 0.00 175.10 175.41 3hfu s ALA 182 N -3.89 3.41 0.58 1.32 0.00 -1.26 -0.70 121.76 121.21 3hfu s ALA 182 Ca 0.17 1.26 0.28 0.00 0.00 0.00 0.00 51.96 53.67 3hfu s ALA 182 Cb 0.07 -3.48 1.66 0.00 0.00 0.00 0.00 23.12 21.37 3hfu s ALA 182 CO -0.03 -0.72 2.12 1.25 0.00 0.00 0.00 175.76 178.39 3hfu h LEU 183 N 3.09 0.00 -1.61 0.00 5.85 -1.36 -0.79 115.31 120.49 3hfu h LEU 183 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3hfu h LEU 183 Cb 1.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3hfu h LEU 183 CO 0.64 0.00 0.00 0.77 -0.34 0.00 0.00 178.44 179.51 3hfu h SER 184 N 0.00 0.00 0.42 1.25 4.64 -1.90 -2.78 113.55 115.18 3hfu h SER 184 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3hfu h SER 184 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3hfu h SER 184 CO -0.00 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 175.99 3hfu h ARG 185 N 0.00 0.00 0.00 4.77 2.47 -1.51 -2.87 114.38 117.24 3hfu h ARG 185 Ca 0.00 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.68 3hfu h ARG 185 Cb 0.22 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 3hfu h ARG 185 CO 0.00 0.00 -0.17 -0.07 0.56 0.00 0.00 179.97 180.29 3hfu h LEU 186 N 0.00 0.00 -1.63 3.04 3.38 -1.71 -2.79 115.31 115.60 3hfu h LEU 186 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 3hfu h LEU 186 Cb 0.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3hfu h LEU 186 CO 0.00 0.17 0.41 -0.74 0.09 0.00 0.00 178.44 178.37 3hfu h HIS 187 N 0.00 0.44 -0.02 1.13 2.76 -1.77 -1.72 115.15 115.97 3hfu h HIS 187 Ca -0.00 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3hfu h HIS 187 Cb 0.30 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.12 3hfu h HIS 187 CO 0.00 0.20 -0.09 -0.25 -1.30 0.00 0.00 177.93 176.49 3hfu n ASP 188 N -4.47 2.14 -4.75 3.26 8.00 -1.05 -4.68 116.55 115.00 3hfu n ASP 188 Ca 0.10 -1.64 -0.40 0.00 0.71 0.00 0.00 54.79 53.56 3hfu n ASP 188 Cb 0.39 0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 41.51 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 -2.12 4.46 -0.34 -1.24 0.41 -0.65 -5.03 118.70 114.19 3hfu s GLU 189 Ca 0.30 1.01 -0.14 0.00 -0.41 0.00 0.00 54.97 55.72 3hfu s GLU 189 Cb 0.20 -3.35 -0.01 0.00 -1.78 0.00 0.00 34.13 29.19 3hfu s GLU 189 CO 0.37 0.33 0.31 0.15 -0.49 0.00 0.00 175.26 175.93 3hfu s LYS 190 N -0.19 3.52 0.23 1.61 1.02 -1.26 -3.61 119.74 121.07 3hfu s LYS 190 Ca 0.37 -0.52 0.05 0.00 0.02 0.00 0.00 55.97 55.89 3hfu s LYS 190 Cb -0.20 -3.81 -0.03 0.00 -0.52 0.00 0.00 37.83 33.27 3hfu s LYS 190 CO 0.22 -0.50 0.33 -0.51 -0.92 0.00 0.00 175.35 173.98 3hfu s LEU 191 N 1.89 4.26 -0.23 3.17 1.43 -0.35 -2.52 118.68 126.33 3hfu s LEU 191 Ca 0.09 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 3hfu s LEU 191 Cb -0.17 -2.80 0.06 0.00 0.03 0.00 0.00 46.19 43.31 3hfu s LEU 191 CO 0.11 -0.05 -0.06 -0.69 0.23 0.00 0.00 176.35 175.88 3hfu s VAL 192 N -1.98 1.60 0.30 -1.59 1.01 -0.50 -1.46 120.40 117.78 3hfu s VAL 192 Ca 0.34 -1.24 0.09 0.00 0.00 0.00 0.00 61.98 61.17 3hfu s VAL 192 Cb -0.09 -1.83 -0.06 0.00 0.00 0.00 0.00 36.38 34.40 3hfu s VAL 192 CO 0.28 -0.06 -0.11 -0.76 0.00 0.00 0.00 175.10 174.45 3hfu s LEU 193 N 1.37 2.61 0.58 3.92 1.43 0.08 -4.48 118.68 124.19 3hfu s LEU 193 Ca -0.06 -1.14 -0.18 0.00 -1.03 0.00 0.00 54.13 51.72 3hfu s LEU 193 Cb -0.19 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 3hfu s LEU 193 CO -0.06 -0.18 1.14 -0.76 0.23 0.00 0.00 176.35 176.71 3hfu s LEU 194 N -3.51 3.66 0.78 1.79 1.43 -1.26 -1.46 118.68 120.12 3hfu s LEU 194 Ca 0.30 2.19 -0.12 0.00 -1.03 0.00 0.00 54.13 55.47 3hfu s LEU 194 Cb 0.01 -4.58 0.06 0.00 0.03 0.00 0.00 46.19 41.71 3hfu s LEU 194 CO 0.14 -1.38 1.11 -0.94 0.23 0.00 0.00 176.35 175.50 3hfu s SER 195 N -1.89 4.72 0.51 2.29 1.04 -0.70 -4.76 113.70 114.91 3hfu s SER 195 Ca 0.73 1.19 0.33 0.00 0.48 0.00 0.00 55.95 58.68 3hfu s SER 195 Cb -0.25 -1.92 1.46 0.00 0.10 0.00 0.00 66.02 65.41 3hfu s SER 195 CO 0.31 -1.81 1.78 0.00 0.98 0.00 0.00 173.24 174.50 3hfu h ALA 196 N -0.98 2.94 -1.09 5.32 0.00 -1.95 -0.04 119.26 123.46 3hfu h ALA 196 Ca -0.47 -0.01 0.32 0.00 0.00 0.00 0.00 54.91 54.75 3hfu h ALA 196 Cb 1.27 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 19.02 3hfu h ALA 196 CO 0.61 -1.32 0.67 0.93 0.00 0.00 0.00 179.25 180.15 3hfu h GLU 197 N 0.09 0.31 -6.69 0.00 5.08 -1.98 -3.41 114.58 107.98 3hfu h GLU 197 Ca 0.60 -0.02 -0.50 0.00 -1.00 0.00 0.00 59.36 58.44 3hfu h GLU 197 Cb 2.17 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 31.33 3hfu h GLU 197 CO -0.09 0.21 0.28 -0.06 -1.00 0.00 0.00 179.01 178.35 3hfu s PHE 198 N -5.53 3.91 0.15 4.33 0.40 -0.03 -4.98 117.98 116.22 3hfu s PHE 198 Ca -0.09 1.78 -0.14 0.00 -0.60 0.00 0.00 56.93 57.89 3hfu s PHE 198 Cb 0.28 -2.89 0.02 0.00 0.51 0.00 0.00 43.02 40.95 3hfu s PHE 198 CO 0.80 0.44 1.66 0.00 0.70 0.00 0.00 175.22 178.82 3hfu h ALA 199 N 4.03 0.63 -0.38 5.36 0.00 -1.88 -2.20 119.26 124.82 3hfu h ALA 199 Ca -0.46 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.33 3hfu h ALA 199 Cb 1.20 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 3hfu h ALA 199 CO 0.67 0.30 0.01 1.15 0.00 0.00 0.00 179.25 181.38 3hfu h THR 200 N 0.65 0.72 -0.39 0.00 2.02 -1.94 -0.28 112.91 113.69 3hfu h THR 200 Ca 0.15 -0.04 0.05 0.00 0.77 0.00 0.00 66.41 67.35 3hfu h THR 200 Cb 0.29 0.60 -0.05 0.00 -1.74 0.00 0.00 68.15 67.26 3hfu h THR 200 CO -0.00 0.02 0.11 -0.09 0.37 0.00 0.00 175.52 175.92 3hfu h ARG 201 N 0.11 0.24 -0.41 6.66 9.65 -1.75 -0.11 114.38 128.77 3hfu h ARG 201 Ca 0.19 -0.01 0.07 0.00 -1.10 0.00 0.00 59.98 59.13 3hfu h ARG 201 Cb 0.26 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 28.72 3hfu h ARG 201 CO -0.30 0.16 0.02 1.49 2.80 0.00 0.00 179.97 184.14 3hfu h GLU 202 N 0.25 0.13 -0.05 0.20 4.81 -0.76 -0.82 114.58 118.33 3hfu h GLU 202 Ca 0.19 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3hfu h GLU 202 Cb 0.20 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3hfu h GLU 202 CO -0.22 0.09 -0.04 1.96 -0.73 0.00 0.00 179.01 180.07 3hfu h GLN 203 N 0.13 -0.05 -0.02 1.92 1.08 -0.21 -1.63 115.11 116.33 3hfu h GLN 203 Ca 0.20 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.44 3hfu h GLN 203 Cb 0.28 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.67 3hfu h GLN 203 CO -0.32 -0.03 -0.32 0.82 -0.95 0.00 0.00 178.83 178.03 3hfu h ILE 204 N -0.05 0.30 -0.89 2.54 2.04 -0.44 -0.21 117.51 120.81 3hfu h ILE 204 Ca 0.03 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.03 3hfu h ILE 204 Cb 0.09 0.30 -0.07 0.00 -0.74 0.00 0.00 36.82 36.41 3hfu h ILE 204 CO -0.08 0.00 0.57 0.44 0.00 0.00 0.00 178.15 179.09 3hfu h ASP 205 N -0.46 0.66 0.37 1.72 3.45 -1.01 0.92 116.42 122.07 3hfu h ASP 205 Ca 0.07 0.04 -0.02 0.00 0.43 0.00 0.00 57.03 57.55 3hfu h ASP 205 Cb 0.56 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.24 3hfu h ASP 205 CO -0.28 0.34 -0.18 -0.74 -1.57 0.00 0.00 179.24 176.81 3hfu h HIS 206 N 0.70 -0.46 0.00 4.55 2.76 -0.23 -2.74 115.15 119.73 3hfu h HIS 206 Ca 0.45 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.54 3hfu h HIS 206 Cb 0.70 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.81 3hfu h HIS 206 CO -0.00 -0.13 -0.33 1.88 -1.30 0.00 0.00 177.93 178.05 3hfu h TYR 207 N -0.93 0.00 0.59 5.26 -1.99 -0.89 -1.03 116.97 117.98 3hfu h TYR 207 Ca -0.05 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.65 3hfu h TYR 207 Cb 0.54 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.27 3hfu h TYR 207 CO 0.03 0.33 -0.28 0.00 -0.00 0.00 0.00 178.16 178.23 3hfu h GLU 209 N -0.96 0.40 -0.07 0.00 4.81 -1.40 0.39 114.58 117.76 3hfu h GLU 209 Ca -0.08 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3hfu h GLU 209 Cb 0.66 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 3hfu h GLU 209 CO 0.13 0.27 0.05 -0.22 -0.73 0.00 0.00 179.01 178.51 3hfu h LYS 210 N 0.42 0.07 -0.05 1.92 3.64 -0.92 0.07 116.57 121.73 3hfu h LYS 210 Ca 0.31 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3hfu h LYS 210 Cb 0.39 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3hfu h LYS 210 CO -0.31 0.05 0.00 0.00 -2.27 0.00 0.00 179.45 176.92 3hfu n ALA 211 N -2.53 2.51 -1.02 5.00 0.00 0.77 -4.93 120.51 120.31 3hfu n ALA 211 Ca -0.02 -0.59 -0.01 0.00 0.00 0.00 0.00 53.44 52.83 3hfu n ALA 211 Cb 0.10 -0.99 -0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.27 0.47 3.72 0.00 0.00 0.61 -5.02 105.19 106.24 3hfu n GLY 212 Ca 0.17 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.18 4.21 -0.48 0.99 1.43 0.10 -4.96 118.68 119.80 3hfu s LEU 213 Ca 0.00 0.36 0.08 0.00 -1.03 0.00 0.00 54.13 53.54 3hfu s LEU 213 Cb 0.00 -2.24 0.32 0.00 0.03 0.00 0.00 46.19 44.30 3hfu s LEU 213 CO 0.00 0.12 0.78 1.41 0.23 0.00 0.00 176.35 178.89 3hfu n HIS 214 N 3.68 1.85 -0.73 0.29 8.25 -1.26 -3.54 115.22 123.75 3hfu n HIS 214 Ca -0.14 -3.89 -0.31 0.00 -0.26 0.00 0.00 57.72 53.13 3hfu n HIS 214 Cb 0.52 -0.45 0.16 0.00 1.12 0.00 0.00 29.99 31.34 3hfu n HIS 214 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3hfu s PRO 215 N -2.64 1.05 -0.16 -0.41 0.02 -1.26 -4.96 135.00 126.65 3hfu s PRO 215 Ca 0.42 1.58 -0.19 0.00 0.02 0.00 0.00 61.00 62.84 3hfu s PRO 215 Cb 0.28 -1.73 -0.04 0.00 0.02 0.00 0.00 34.50 33.03 3hfu s PRO 215 CO -0.10 -2.61 0.51 -1.14 -0.33 0.00 0.00 177.00 173.33 3hfu s GLN 216 N -4.59 4.27 -0.51 5.54 0.74 -1.24 -5.01 119.66 118.87 3hfu s GLN 216 Ca 0.68 0.45 -0.16 0.00 0.05 0.00 0.00 55.36 56.38 3hfu s GLN 216 Cb -0.23 -3.50 0.10 0.00 1.10 0.00 0.00 33.01 30.47 3hfu s GLN 216 CO 0.57 0.00 0.47 0.08 -0.55 0.00 0.00 175.29 175.86 3hfu s VAL 217 N 1.13 5.18 -0.17 1.34 1.01 -1.26 -1.21 120.40 126.42 3hfu s VAL 217 Ca 0.26 -1.22 0.17 0.00 0.00 0.00 0.00 61.98 61.19 3hfu s VAL 217 Cb -0.15 -4.25 -0.00 0.00 0.00 0.00 0.00 36.38 31.98 3hfu s VAL 217 CO 0.10 -0.74 1.17 -0.37 0.00 0.00 0.00 175.10 175.26 3hfu h VAL 218 N 5.83 0.55 -3.27 2.92 -1.51 -1.60 -3.46 116.25 115.70 3hfu h VAL 218 Ca -0.29 -1.89 -0.23 0.00 -1.23 0.00 0.00 66.70 63.06 3hfu h VAL 218 Cb 1.10 2.13 -0.30 0.00 -2.13 0.00 0.00 31.29 32.09 3hfu h VAL 218 CO 0.96 0.32 -0.58 -0.63 -1.23 0.00 0.00 177.57 176.40 3hfu s ILE 219 N -3.01 -0.04 0.04 7.19 1.01 -1.03 -5.04 121.20 120.31 3hfu s ILE 219 Ca 0.01 0.14 0.08 0.00 0.00 0.00 0.00 60.65 60.88 3hfu s ILE 219 Cb 0.08 -0.24 -0.03 0.00 0.01 0.00 0.00 42.46 42.28 3hfu s ILE 219 CO 0.77 0.06 -0.24 -1.61 0.00 0.00 0.00 174.94 173.92 3hfu s GLU 220 N 0.94 1.61 0.07 2.79 2.02 -1.26 -0.74 118.70 124.12 3hfu s GLU 220 Ca -0.07 -1.01 -0.07 0.00 0.02 0.00 0.00 54.97 53.84 3hfu s GLU 220 Cb -0.09 -1.74 -0.01 0.00 0.10 0.00 0.00 34.13 32.39 3hfu s GLU 220 CO -0.05 0.45 0.13 0.00 0.02 0.00 0.00 175.26 175.82 3hfu s ALA 221 N -0.79 -0.07 -0.37 5.21 0.00 -0.53 -4.95 121.76 120.26 3hfu s ALA 221 Ca 0.10 -0.68 0.07 0.00 0.00 0.00 0.00 51.96 51.44 3hfu s ALA 221 Cb -0.09 0.38 0.63 0.00 0.00 0.00 0.00 23.12 24.04 3hfu s ALA 221 CO 0.02 -0.44 1.75 0.27 0.00 0.00 0.00 175.76 177.36 3hfu n ASN 222 N 0.19 3.59 -3.71 0.00 6.94 -1.26 -1.72 115.26 119.29 3hfu n ASN 222 Ca -0.16 -3.56 -0.12 0.00 -0.02 0.00 0.00 54.58 50.72 3hfu n ASN 222 Cb 0.61 -0.75 -0.12 0.00 -2.36 0.00 0.00 39.78 37.16 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 -1.64 -0.36 0.18 0.53 0.15 -1.26 -4.99 113.70 106.32 3hfu s SER 223 Ca 0.52 0.67 -0.12 0.00 0.70 0.00 0.00 55.95 57.73 3hfu s SER 223 Cb 0.45 0.55 0.10 0.00 -1.71 0.00 0.00 66.02 65.40 3hfu s SER 223 CO 0.08 -0.18 1.78 0.40 1.20 0.00 0.00 173.24 176.53 3hfu h ILE 224 N 5.75 1.21 -0.89 6.45 5.03 -1.96 -2.41 117.51 130.69 3hfu h ILE 224 Ca -0.39 -0.57 0.04 0.00 -0.12 0.00 0.00 64.86 63.82 3hfu h ILE 224 Cb 1.17 0.42 -0.05 0.00 -3.03 0.00 0.00 36.82 35.32 3hfu h ILE 224 CO 0.34 0.24 0.58 0.77 -0.68 0.00 0.00 178.15 179.41 3hfu h SER 225 N 0.87 0.94 -0.42 1.72 4.64 -1.98 0.10 113.55 119.42 3hfu h SER 225 Ca 0.22 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.50 3hfu h SER 225 Cb 0.08 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 3hfu h SER 225 CO -0.03 0.63 0.13 0.00 -0.87 0.00 0.00 176.83 176.70 3hfu h ALA 226 N 1.49 0.55 0.23 5.18 0.00 -1.91 0.30 119.26 125.09 3hfu h ALA 226 Ca 0.36 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3hfu h ALA 226 Cb 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3hfu h ALA 226 CO -0.12 0.19 -0.27 0.28 0.00 0.00 0.00 179.25 179.33 3hfu h VAL 227 N 0.53 0.42 -0.63 0.00 2.07 -0.73 0.37 116.25 118.28 3hfu h VAL 227 Ca 0.14 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.69 3hfu h VAL 227 Cb 0.25 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 3hfu h VAL 227 CO -0.00 0.00 0.38 -0.07 0.02 0.00 0.00 177.57 177.90 3hfu h LEU 228 N -0.55 0.61 -0.55 2.57 3.38 -0.84 -0.18 115.31 119.75 3hfu h LEU 228 Ca 0.00 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.03 3hfu h LEU 228 Cb 0.52 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 3hfu h LEU 228 CO -0.09 0.42 0.27 -0.08 0.09 0.00 0.00 178.44 179.06 3hfu h GLU 229 N 0.74 0.51 -0.73 1.13 4.57 -0.07 -1.21 114.58 119.52 3hfu h GLU 229 Ca 0.26 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.36 3hfu h GLU 229 Cb 0.05 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 3hfu h GLU 229 CO -0.12 0.34 0.26 -0.07 -1.18 0.00 0.00 179.01 178.24 3hfu h LEU 230 N 0.52 1.03 -0.75 1.64 3.38 -0.05 -2.95 115.31 118.14 3hfu h LEU 230 Ca 0.25 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 3hfu h LEU 230 Cb 0.18 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3hfu h LEU 230 CO -0.18 0.94 -0.28 0.40 0.09 0.00 0.00 178.44 179.41 3hfu h ILE 231 N 1.08 1.28 -0.38 1.22 2.04 -0.41 -2.61 117.51 119.73 3hfu h ILE 231 Ca 0.24 -1.38 -0.04 0.00 1.00 0.00 0.00 64.86 64.69 3hfu h ILE 231 Cb 0.26 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 3hfu h ILE 231 CO -0.01 0.45 0.07 0.03 0.00 0.00 0.00 178.15 178.69 3hfu h ARG 232 N 0.56 0.56 -0.47 2.37 3.08 -1.07 -2.94 114.38 116.47 3hfu h ARG 232 Ca 0.07 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3hfu h ARG 232 Cb 0.76 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.72 3hfu h ARG 232 CO 0.06 0.53 0.00 0.54 -1.07 0.00 0.00 179.97 180.03 3hfu n ARG 233 N -4.32 2.49 -3.64 0.04 1.74 -1.14 -4.94 116.66 106.89 3hfu n ARG 233 Ca 0.02 -2.28 -0.16 0.00 -0.77 0.00 0.00 57.85 54.67 3hfu n ARG 233 Cb 0.20 -1.52 -0.05 0.00 -1.02 0.00 0.00 32.46 30.07 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 1.43 0.00 -1.27 0.55 -2.24 -1.00 -5.03 114.28 106.73 3hfu n THR 234 Ca 0.20 -1.72 -0.01 0.00 -2.27 0.00 0.00 64.05 60.25 3hfu n THR 234 Cb 0.58 0.76 0.22 0.00 -2.10 0.00 0.00 70.33 69.80 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 -1.91 3.10 -4.95 3.42 7.64 -1.26 -4.75 113.62 114.90 3hfu n SER 235 Ca 0.02 -3.48 -0.23 0.00 1.01 0.00 0.00 58.87 56.18 3hfu n SER 235 Cb 0.43 -0.62 0.04 0.00 -1.01 0.00 0.00 64.21 63.05 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 -3.10 3.25 0.00 -3.43 1.43 -1.26 -4.92 118.68 110.65 3hfu s LEU 236 Ca 0.45 0.27 0.03 0.00 -1.03 0.00 0.00 54.13 53.85 3hfu s LEU 236 Cb 0.39 -3.09 -0.01 0.00 0.03 0.00 0.00 46.19 43.51 3hfu s LEU 236 CO 0.04 -1.13 0.11 -1.54 0.23 0.00 0.00 176.35 174.06 3hfu n SER 237 N -2.45 1.50 -3.78 2.29 3.41 -1.05 -4.62 113.62 108.93 3hfu n SER 237 Ca 0.06 -2.92 -0.09 0.00 -0.26 0.00 0.00 58.87 55.65 3hfu n SER 237 Cb 0.59 0.82 -0.04 0.00 -0.26 0.00 0.00 64.21 65.33 3hfu n SER 237 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3hfu s THR 238 N -2.86 0.02 -0.25 6.66 -1.32 -0.93 -1.41 115.64 115.54 3hfu s THR 238 Ca 0.16 -0.87 -0.03 0.00 -1.21 0.00 0.00 61.69 59.73 3hfu s THR 238 Cb 0.01 -1.71 0.02 0.00 -1.51 0.00 0.00 72.50 69.31 3hfu s THR 238 CO 0.11 -0.08 -0.02 -0.76 -2.21 0.00 0.00 174.62 171.66 3hfu s LEU 239 N -2.90 3.30 0.24 9.08 1.43 -1.26 -0.96 118.68 127.61 3hfu s LEU 239 Ca 0.11 -0.75 -0.13 0.00 -1.03 0.00 0.00 54.13 52.33 3hfu s LEU 239 Cb -0.02 -1.73 -0.00 0.00 0.03 0.00 0.00 46.19 44.47 3hfu s LEU 239 CO -0.00 -0.13 0.47 -0.76 0.23 0.00 0.00 176.35 176.16 3hfu s LEU 240 N 1.39 0.34 0.26 1.79 1.43 -0.98 -4.93 118.68 117.99 3hfu s LEU 240 Ca 0.02 -0.88 -0.30 0.00 -1.03 0.00 0.00 54.13 51.94 3hfu s LEU 240 Cb -0.16 1.77 -0.10 0.00 0.03 0.00 0.00 46.19 47.72 3hfu s LEU 240 CO -0.03 -1.12 1.45 -2.16 0.23 0.00 0.00 176.35 174.72 3hfu s PRO 241 N -4.00 4.26 0.35 1.29 0.04 -1.26 0.11 135.00 135.78 3hfu s PRO 241 Ca 0.21 2.32 0.11 0.00 0.04 0.00 0.00 61.00 63.68 3hfu s PRO 241 Cb -0.00 -3.10 0.88 0.00 0.04 0.00 0.00 34.50 32.32 3hfu s PRO 241 CO 0.07 -0.43 1.80 0.00 0.04 0.00 0.00 177.00 178.48 3hfu h ALA 242 N 4.87 1.89 -1.00 8.56 0.00 -1.78 -2.52 119.26 129.27 3hfu h ALA 242 Ca -0.46 0.06 0.23 0.00 0.00 0.00 0.00 54.91 54.74 3hfu h ALA 242 Cb 1.22 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.83 3hfu h ALA 242 CO 0.77 -0.24 0.60 0.00 0.00 0.00 0.00 179.25 180.37 3hfu h ALA 243 N 1.63 1.75 -1.05 0.00 0.00 -1.90 0.02 119.26 119.72 3hfu h ALA 243 Ca 0.55 0.11 0.27 0.00 0.00 0.00 0.00 54.91 55.85 3hfu h ALA 243 Cb 1.05 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.73 3hfu h ALA 243 CO -0.32 -0.21 0.66 0.82 0.00 0.00 0.00 179.25 180.20 3hfu h ILE 244 N 0.63 0.50 -0.17 0.00 1.08 -1.73 -0.60 117.51 117.23 3hfu h ILE 244 Ca 0.63 -0.14 -0.11 0.00 -0.39 0.00 0.00 64.86 64.84 3hfu h ILE 244 Cb 1.14 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.92 3hfu h ILE 244 CO -0.45 0.08 -0.38 0.00 -0.69 0.00 0.00 178.15 176.71 3hfu h ALA 245 N 1.65 1.05 0.00 1.87 0.00 -1.17 -2.76 119.26 119.89 3hfu h ALA 245 Ca 0.62 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3hfu h ALA 245 Cb 1.50 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3hfu h ALA 245 CO -0.34 0.59 0.00 0.25 0.00 0.00 0.00 179.25 179.75 3hfu n THR 246 N -4.05 0.90 0.61 0.00 -2.24 -0.24 -1.71 114.28 107.56 3hfu n THR 246 Ca -0.01 0.22 0.11 0.00 -2.27 0.00 0.00 64.05 62.10 3hfu n THR 246 Cb 0.47 -1.00 0.03 0.00 -2.10 0.00 0.00 70.33 67.73 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 -1.40 0.26 -4.86 -0.78 1.13 -1.04 -4.88 117.38 105.81 3hfu n GLN 247 Ca 0.05 -0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.83 3hfu n GLN 247 Cb 0.13 -1.58 -0.17 0.00 0.11 0.00 0.00 30.24 28.73 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 -3.18 1.89 0.03 1.08 3.76 -0.69 -5.05 115.29 113.14 3hfu s HIS 248 Ca 0.04 -0.70 -0.26 0.00 -0.15 0.00 0.00 55.06 53.99 3hfu s HIS 248 Cb 0.15 -1.31 -0.17 0.00 1.11 0.00 0.00 32.58 32.36 3hfu s HIS 248 CO 0.80 -0.30 1.36 -0.44 -0.85 0.00 0.00 174.74 175.31 3hfu h ASP 249 N 6.73 -0.39 0.13 1.40 3.32 -1.90 -3.03 116.42 122.69 3hfu h ASP 249 Ca -0.27 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3hfu h ASP 249 Cb 1.20 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3hfu h ASP 249 CO 0.47 -0.08 0.00 0.61 -1.72 0.00 0.00 179.24 178.52 3hfu n GLY 250 N -0.60 -0.54 3.74 2.75 0.00 -1.26 -4.69 105.19 104.59 3hfu n GLY 250 Ca -0.10 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.71 3.63 -0.04 0.99 1.43 -1.14 -1.86 118.68 118.98 3hfu s LEU 251 Ca 0.04 -0.18 -0.05 0.00 -1.03 0.00 0.00 54.13 52.92 3hfu s LEU 251 Cb 0.04 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.98 3hfu s LEU 251 CO 0.09 0.11 0.12 -0.75 0.23 0.00 0.00 176.35 176.15 3hfu s LYS 252 N -2.81 0.21 -0.27 1.70 2.20 0.34 -4.81 119.74 116.30 3hfu s LYS 252 Ca 0.29 0.06 -0.10 0.00 -0.36 0.00 0.00 55.97 55.86 3hfu s LYS 252 Cb -0.11 0.10 -0.04 0.00 -1.51 0.00 0.00 37.83 36.27 3hfu s LYS 252 CO 0.21 -0.03 0.14 0.00 -0.36 0.00 0.00 175.35 175.31 3hfu s ALA 253 N -0.22 3.39 -0.27 3.13 0.00 -1.26 -1.26 121.76 125.27 3hfu s ALA 253 Ca -0.03 -1.10 -0.11 0.00 0.00 0.00 0.00 51.96 50.72 3hfu s ALA 253 Cb -0.02 -2.32 -0.05 0.00 0.00 0.00 0.00 23.12 20.72 3hfu s ALA 253 CO 0.00 -0.52 0.18 0.42 0.00 0.00 0.00 175.76 175.84 3hfu s ILE 254 N 1.69 5.28 0.36 0.00 1.09 0.64 -4.91 121.20 125.35 3hfu s ILE 254 Ca 0.07 0.16 -0.27 0.00 -1.10 0.00 0.00 60.65 59.50 3hfu s ILE 254 Cb -0.16 -3.50 -0.10 0.00 -1.06 0.00 0.00 42.46 37.65 3hfu s ILE 254 CO 0.08 0.28 1.28 -0.44 -0.10 0.00 0.00 174.94 176.04 3hfu s SER 255 N 1.57 6.62 -0.16 3.58 0.01 0.13 -1.23 113.70 124.23 3hfu s SER 255 Ca 0.07 2.62 -0.07 0.00 1.31 0.00 0.00 55.95 59.88 3hfu s SER 255 Cb -0.15 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.40 3hfu s SER 255 CO 0.09 -0.63 0.08 -0.76 0.41 0.00 0.00 173.24 172.42 3hfu s LEU 256 N -2.07 3.93 -0.22 2.44 1.43 -1.26 -0.15 118.68 122.78 3hfu s LEU 256 Ca 0.52 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.81 3hfu s LEU 256 Cb -0.38 -1.98 0.05 0.00 0.03 0.00 0.00 46.19 43.91 3hfu s LEU 256 CO 0.49 0.24 -0.09 0.00 0.23 0.00 0.00 176.35 177.22 3hfu s ALA 257 N -0.05 2.14 0.87 4.21 0.00 0.12 -2.29 121.76 126.77 3hfu s ALA 257 Ca 0.07 -1.39 -0.12 0.00 0.00 0.00 0.00 51.96 50.52 3hfu s ALA 257 Cb -0.12 -1.39 0.12 0.00 0.00 0.00 0.00 23.12 21.72 3hfu s ALA 257 CO 0.01 -1.00 1.13 -1.25 0.00 0.00 0.00 175.76 174.65 3hfu s PRO 258 N 1.32 1.45 0.54 0.00 0.04 -1.26 -1.11 135.00 135.98 3hfu s PRO 258 Ca -0.04 0.33 -0.21 0.00 0.04 0.00 0.00 61.00 61.12 3hfu s PRO 258 Cb -0.18 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 3hfu s PRO 258 CO -0.07 -1.99 1.29 -2.14 0.04 0.00 0.00 177.00 174.12 3hfu s PRO 259 N -5.30 3.21 -0.16 0.56 0.02 -0.97 -4.54 135.00 127.82 3hfu s PRO 259 Ca 0.63 2.05 -0.18 0.00 0.02 0.00 0.00 61.00 63.52 3hfu s PRO 259 Cb -0.14 -2.21 -0.15 0.00 0.02 0.00 0.00 34.50 32.01 3hfu s PRO 259 CO 0.53 -1.07 0.25 1.25 -0.33 0.00 0.00 177.00 177.62 3hfu h LEU 260 N 1.44 0.00 -7.52 -5.54 5.85 -1.84 -3.48 115.31 104.22 3hfu h LEU 260 Ca -0.50 -0.47 -0.18 0.00 0.84 0.00 0.00 57.88 57.57 3hfu h LEU 260 Cb 1.29 0.00 -0.26 0.00 0.37 0.00 0.00 40.66 42.06 3hfu h LEU 260 CO 0.57 1.10 -0.48 -0.22 -0.34 0.00 0.00 178.44 179.07 3hfu s LEU 261 N -8.11 1.21 -0.09 2.25 2.96 -1.26 -4.90 118.68 110.74 3hfu s LEU 261 Ca -0.20 0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 54.10 3hfu s LEU 261 Cb 0.02 0.69 0.04 0.00 0.50 0.00 0.00 46.19 47.44 3hfu s LEU 261 CO 0.47 -0.07 0.03 -0.70 -1.32 0.00 0.00 176.35 174.75 3hfu s GLU 262 N 0.13 0.44 0.26 1.98 2.12 -1.26 -1.75 118.70 120.62 3hfu s GLU 262 Ca -0.00 0.06 0.10 0.00 0.36 0.00 0.00 54.97 55.48 3hfu s GLU 262 Cb -0.02 -1.15 -0.04 0.00 0.26 0.00 0.00 34.13 33.18 3hfu s GLU 262 CO 0.00 -0.40 -0.04 1.03 -0.54 0.00 0.00 175.26 175.31 3hfu s ARG 263 N 2.01 2.18 -0.35 4.30 0.52 -0.07 -4.98 118.95 122.56 3hfu s ARG 263 Ca 0.04 -1.45 -0.10 0.00 -0.52 0.00 0.00 55.73 53.69 3hfu s ARG 263 Cb -0.13 -2.10 0.02 0.00 0.52 0.00 0.00 34.95 33.25 3hfu s ARG 263 CO -0.06 0.37 0.17 0.99 0.02 0.00 0.00 175.30 176.79 3hfu s THR 264 N -2.29 4.47 0.39 0.02 2.01 -1.26 -1.60 115.64 117.38 3hfu s THR 264 Ca 0.31 -0.75 -0.26 0.00 0.31 0.00 0.00 61.69 61.30 3hfu s THR 264 Cb -0.06 -3.43 -0.09 0.00 0.01 0.00 0.00 72.50 68.93 3hfu s THR 264 CO 0.19 -0.12 1.21 0.00 -0.69 0.00 0.00 174.62 175.21 3hfu s ALA 265 N 1.55 3.23 0.01 7.40 0.00 0.12 -1.77 121.76 132.30 3hfu s ALA 265 Ca 0.02 1.06 -0.05 0.00 0.00 0.00 0.00 51.96 53.00 3hfu s ALA 265 Cb -0.18 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 3hfu s ALA 265 CO 0.06 -0.60 0.08 0.54 0.00 0.00 0.00 175.76 175.84 3hfu s VAL 266 N -1.33 0.10 -0.18 0.00 0.11 0.30 -0.05 120.40 119.35 3hfu s VAL 266 Ca 0.55 -0.80 -0.16 0.00 -2.93 0.00 0.00 61.98 58.64 3hfu s VAL 266 Cb -0.34 -0.42 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 3hfu s VAL 266 CO 0.43 -0.44 0.42 -0.76 -3.33 0.00 0.00 175.10 171.41 3hfu s LEU 267 N -1.48 4.19 -0.09 2.54 1.43 -0.30 -1.51 118.68 123.46 3hfu s LEU 267 Ca -0.14 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 3hfu s LEU 267 Cb -0.08 -2.56 -0.03 0.00 0.03 0.00 0.00 46.19 43.56 3hfu s LEU 267 CO 0.00 -0.05 -0.08 -0.76 0.23 0.00 0.00 176.35 175.69 3hfu s LEU 268 N 1.09 3.08 0.01 1.79 1.43 0.24 -1.82 118.68 124.50 3hfu s LEU 268 Ca 0.21 -0.10 -0.20 0.00 -1.03 0.00 0.00 54.13 53.01 3hfu s LEU 268 Cb -0.15 -1.68 0.04 0.00 0.03 0.00 0.00 46.19 44.43 3hfu s LEU 268 CO 0.08 0.30 0.45 0.00 0.23 0.00 0.00 176.35 177.40 3hfu s ARG 269 N -0.42 0.88 -0.04 1.70 1.70 -1.11 -0.75 118.95 120.92 3hfu s ARG 269 Ca 0.06 -0.17 -0.29 0.00 -0.47 0.00 0.00 55.73 54.86 3hfu s ARG 269 Cb -0.12 0.40 -0.02 0.00 -0.57 0.00 0.00 34.95 34.63 3hfu s ARG 269 CO 0.02 -0.28 0.97 -0.98 -1.08 0.00 0.00 175.30 173.95 3hfu s ARG 270 N -1.85 4.50 1.08 3.89 1.70 -1.26 0.10 118.95 127.11 3hfu s ARG 270 Ca -0.09 1.37 -0.13 0.00 -0.47 0.00 0.00 55.73 56.41 3hfu s ARG 270 Cb -0.02 -3.49 0.23 0.00 -0.57 0.00 0.00 34.95 31.10 3hfu s ARG 270 CO 0.02 -0.14 1.07 -1.59 -1.08 0.00 0.00 175.30 173.59 3hfu s LYS 271 N 1.35 -0.22 -1.55 3.89 -2.85 0.10 -3.46 119.74 117.00 3hfu s LYS 271 Ca 0.50 0.51 -0.17 0.00 -1.00 0.00 0.00 55.97 55.80 3hfu s LYS 271 Cb -0.20 -1.66 0.15 0.00 -2.06 0.00 0.00 37.83 34.06 3hfu s LYS 271 CO 0.24 -3.17 0.65 0.09 0.10 0.00 0.00 175.35 173.25 3hfu n ASN 272 N -4.48 -2.99 -3.71 0.03 3.02 -1.26 -4.91 115.26 100.97 3hfu n ASN 272 Ca 0.05 -0.83 -0.19 0.00 -0.03 0.00 0.00 54.58 53.58 3hfu n ASN 272 Cb 0.57 -2.48 -0.17 0.00 -0.61 0.00 0.00 39.78 37.08 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 -3.07 0.91 -0.16 6.41 0.15 -1.22 -5.13 113.70 111.58 3hfu s SER 273 Ca 0.65 0.06 -0.27 0.00 0.70 0.00 0.00 55.95 57.09 3hfu s SER 273 Cb -0.36 -0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 63.79 3hfu s SER 273 CO 0.80 -0.21 0.90 0.26 1.20 0.00 0.00 173.24 176.19 3hfu s TRP 274 N 1.87 3.43 0.41 3.44 0.23 -1.26 -4.93 118.94 122.13 3hfu s TRP 274 Ca 0.01 1.37 -0.16 0.00 -2.03 0.00 0.00 56.10 55.29 3hfu s TRP 274 Cb -0.12 -3.09 -0.09 0.00 0.03 0.00 0.00 33.47 30.20 3hfu s TRP 274 CO -0.03 -0.27 0.85 -0.65 0.96 0.00 0.00 176.95 177.82 3hfu s GLN 275 N 2.25 4.01 0.88 4.98 -1.52 -1.26 -5.08 119.66 123.93 3hfu s GLN 275 Ca 0.42 0.82 -0.12 0.00 -1.95 0.00 0.00 55.36 54.52 3hfu s GLN 275 Cb -0.17 -2.29 0.12 0.00 -0.22 0.00 0.00 33.01 30.45 3hfu s GLN 275 CO 0.13 -0.02 1.14 0.95 -0.25 0.00 0.00 175.29 177.23 3hfu s THR 276 N -2.25 2.14 0.38 -0.19 -4.23 -1.26 -4.81 115.64 105.42 3hfu s THR 276 Ca 0.57 0.04 0.11 0.00 -1.18 0.00 0.00 61.69 61.23 3hfu s THR 276 Cb -0.10 -2.83 0.13 0.00 1.34 0.00 0.00 72.50 71.05 3hfu s THR 276 CO 0.22 -0.06 1.89 0.00 -0.54 0.00 0.00 174.62 176.12 3hfu h ALA 277 N -1.39 1.47 -0.15 3.99 0.00 -1.99 -1.26 119.26 119.94 3hfu h ALA 277 Ca -0.50 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.13 3hfu h ALA 277 Cb 1.32 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3hfu h ALA 277 CO 0.62 0.38 -0.03 0.00 0.00 0.00 0.00 179.25 180.22 3hfu h ALA 278 N 1.64 0.20 -0.49 0.00 0.00 -1.92 -1.27 119.26 117.42 3hfu h ALA 278 Ca 0.02 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.72 3hfu h ALA 278 Cb 0.48 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3hfu h ALA 278 CO 0.03 -0.05 0.30 0.00 0.00 0.00 0.00 179.25 179.54 3hfu h ALA 279 N 0.71 0.63 0.39 0.00 0.00 -1.81 -0.01 119.26 119.17 3hfu h ALA 279 Ca 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3hfu h ALA 279 Cb 0.46 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hfu h ALA 279 CO 0.01 0.02 -0.19 0.87 0.00 0.00 0.00 179.25 179.96 3hfu h LYS 280 N 0.61 -0.51 -0.44 0.00 6.56 -1.18 -1.30 116.57 120.31 3hfu h LYS 280 Ca 0.19 0.03 0.06 0.00 -1.06 0.00 0.00 60.65 59.88 3hfu h LYS 280 Cb -0.01 0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 31.74 3hfu h LYS 280 CO -0.07 -0.31 0.30 0.00 -2.06 0.00 0.00 179.45 177.30 3hfu h ALA 281 N 0.02 1.98 0.24 3.86 0.00 -1.07 -1.08 119.26 123.21 3hfu h ALA 281 Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3hfu h ALA 281 Cb 0.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3hfu h ALA 281 CO 0.09 -0.06 -0.12 0.35 0.00 0.00 0.00 179.25 179.51 3hfu h PHE 282 N 0.34 -0.30 -0.58 0.00 3.57 -0.59 -3.03 116.94 116.35 3hfu h PHE 282 Ca 0.19 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.80 3hfu h PHE 282 Cb 0.34 0.10 -0.09 0.00 2.79 0.00 0.00 35.95 39.09 3hfu h PHE 282 CO -0.00 -0.03 0.10 1.25 -2.23 0.00 0.00 178.31 177.40 3hfu h LEU 283 N -0.55 -0.05 -0.69 0.59 7.12 -0.41 0.21 115.31 121.53 3hfu h LEU 283 Ca -0.03 0.12 0.00 0.00 0.13 0.00 0.00 57.88 58.09 3hfu h LEU 283 Cb 0.41 0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.71 3hfu h LEU 283 CO 0.05 -0.01 0.00 1.41 -0.13 0.00 0.00 178.44 179.76 3hfu n HIS 284 N -5.16 0.00 0.00 1.25 8.25 -0.49 -1.95 115.22 117.12 3hfu n HIS 284 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 3hfu n HIS 284 Cb 0.32 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.43 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 0.16 0.00 -0.00 -1.41 0.00 0.06 -0.81 120.51 118.51 3hfu n ALA 286 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3hfu n ALA 286 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 0.73 -1.50 0.00 3.38 -1.64 -3.08 115.31 113.20 3hfu h LEU 287 Ca 0.00 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 3hfu h LEU 287 Cb 0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3hfu h LEU 287 CO 0.00 1.21 -0.06 0.44 0.09 0.00 0.00 178.44 180.11 3hfu h ASP 288 N 0.45 0.22 1.00 -0.43 3.32 -1.25 -2.25 116.42 117.49 3hfu h ASP 288 Ca -0.02 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 3hfu h ASP 288 Cb 1.27 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 3hfu h ASP 288 CO 0.13 0.33 -0.30 0.50 -1.72 0.00 0.00 179.24 178.18 3hfu h LYS 289 N 0.24 0.00 -0.29 3.56 1.63 -1.80 -3.12 116.57 116.78 3hfu h LYS 289 Ca 0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 3hfu h LYS 289 Cb 0.27 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 3hfu h LYS 289 CO 0.01 0.30 0.00 0.00 -3.45 0.00 0.00 179.45 176.31 3hfu n ALA 291 N 1.28 -0.59 0.67 0.00 0.00 -1.10 -4.98 120.51 115.79 3hfu n ALA 291 Ca 0.18 0.16 0.08 0.00 0.00 0.00 0.00 53.44 53.86 3hfu n ALA 291 Cb 0.56 -2.17 0.07 0.00 0.00 0.00 0.00 19.45 17.91 3hfu n ALA 291 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78