#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df0 n GLU 98 N 0.00 0.35 0.21 4.33 0.00 -1.26 -4.50 120.64 119.77 3df0 n GLU 98 Ca 0.00 0.13 0.05 0.00 0.00 0.00 0.00 57.16 57.34 3df0 n GLU 98 Cb 0.00 -1.16 0.44 0.00 0.00 0.00 0.00 31.44 30.72 3df0 n GLU 98 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 3df0 h GLU 99 N -0.36 0.00 -0.00 5.31 3.07 -2.05 -2.96 114.58 117.60 3df0 h GLU 99 Ca -0.38 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.48 3df0 h GLU 99 Cb 1.42 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.33 3df0 h GLU 99 CO -0.17 0.31 0.00 0.93 -1.40 0.00 0.00 179.01 178.67 3df0 h GLU 100 N 0.00 0.00 -0.63 2.33 5.08 -1.98 0.66 114.58 120.04 3df0 h GLU 100 Ca -0.00 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3df0 h GLU 100 Cb 0.61 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 3df0 h GLU 100 CO 0.04 0.14 0.33 -0.09 -1.00 0.00 0.00 179.01 178.43 3df0 h ARG 101 N -0.14 0.60 -0.02 2.33 2.43 -1.75 0.68 114.38 118.50 3df0 h ARG 101 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3df0 h ARG 101 Cb 0.14 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3df0 h ARG 101 CO -0.00 0.39 0.00 1.04 -1.51 0.00 0.00 179.97 179.89 3df0 n GLN 102 N -4.83 1.17 -0.13 0.20 6.02 -1.15 -2.38 117.38 116.28 3df0 n GLN 102 Ca 0.08 -0.26 -0.27 0.00 -0.01 0.00 0.00 57.00 56.54 3df0 n GLN 102 Cb 0.18 -1.39 -0.09 0.00 1.02 0.00 0.00 30.24 29.95 3df0 n GLN 102 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3df0 n PHE 103 N -0.60 0.00 -0.16 1.08 7.35 0.39 -4.50 117.46 121.03 3df0 n PHE 103 Ca 0.18 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.96 3df0 n PHE 103 Cb 0.15 -0.91 0.41 0.00 0.35 0.00 0.00 39.48 39.47 3df0 n PHE 103 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 3df0 h ARG 104 N -0.87 0.60 0.00 -4.13 2.43 0.14 -2.26 114.38 110.28 3df0 h ARG 104 Ca -0.64 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.49 3df0 h ARG 104 Cb 1.58 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.99 3df0 h ARG 104 CO -0.38 0.39 0.24 0.87 -1.51 0.00 0.00 179.97 179.58 3df0 h LYS 105 N 0.61 0.00 0.00 0.20 1.57 -1.67 -2.57 116.57 114.71 3df0 h LYS 105 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3df0 h LYS 105 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3df0 h LYS 105 CO -0.11 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.05 3df0 n LEU 106 N -2.53 0.27 0.05 2.94 7.99 -0.89 -4.56 117.00 120.27 3df0 n LEU 106 Ca -0.02 -0.27 0.06 0.00 -0.01 0.00 0.00 56.01 55.77 3df0 n LEU 106 Cb 0.28 0.00 0.49 0.00 -0.11 0.00 0.00 43.42 44.08 3df0 n LEU 106 CO 0.11 0.07 1.15 0.15 -1.51 0.00 0.00 177.39 177.35 3df0 h PHE 107 N 0.00 0.38 -0.37 -1.77 3.57 -1.02 -3.15 116.94 114.57 3df0 h PHE 107 Ca 0.00 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 3df0 h PHE 107 Cb 0.44 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 3df0 h PHE 107 CO 0.00 0.23 -0.09 0.28 -2.23 0.00 0.00 178.31 176.50 3df0 h VAL 108 N 0.40 1.28 0.00 1.41 2.07 -1.80 -2.40 116.25 117.21 3df0 h VAL 108 Ca 0.14 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.49 3df0 h VAL 108 Cb 0.06 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3df0 h VAL 108 CO -0.03 0.39 0.00 1.67 0.02 0.00 0.00 177.57 179.62 3df0 n GLN 109 N -4.37 0.02 0.00 1.57 7.27 -1.19 -1.40 117.38 119.28 3df0 n GLN 109 Ca -0.02 0.47 0.00 0.00 0.07 0.00 0.00 57.00 57.52 3df0 n GLN 109 Cb 0.35 -1.55 0.00 0.00 2.41 0.00 0.00 30.24 31.45 3df0 n GLN 109 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 3df0 n LEU 110 N -1.59 0.44 0.00 1.69 -0.00 -1.21 -4.66 117.00 111.68 3df0 n LEU 110 Ca 0.00 -0.45 0.08 0.00 -0.00 0.00 0.00 56.01 55.64 3df0 n LEU 110 Cb 0.04 0.00 0.37 0.00 -0.00 0.00 0.00 43.42 43.83 3df0 n LEU 110 CO 0.04 0.11 0.74 0.00 -0.00 0.00 0.00 177.39 178.27 3df0 n ALA 111 N -0.02 1.81 -0.19 1.47 0.00 -0.49 -4.95 120.51 118.13 3df0 n ALA 111 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3df0 n ALA 111 Cb 0.13 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3df0 n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df0 n GLY 112 N 0.09 0.40 0.88 0.00 0.00 -1.25 -3.54 105.19 101.77 3df0 n GLY 112 Ca 0.06 -0.92 0.03 0.00 0.00 0.00 0.00 46.02 45.19 3df0 n GLY 112 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3df0 n ASP 113 N 1.95 0.64 -1.59 1.61 3.85 -1.26 -4.44 116.55 117.31 3df0 n ASP 113 Ca 0.00 -2.17 0.09 0.00 -0.71 0.00 0.00 54.79 52.01 3df0 n ASP 113 Cb 0.00 -0.27 0.36 0.00 -1.35 0.00 0.00 41.12 39.86 3df0 n ASP 113 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 3df0 n ASP 114 N 0.05 4.78 0.00 -1.12 5.75 -1.26 -4.97 116.55 119.79 3df0 n ASP 114 Ca 0.04 -2.46 0.00 0.00 -0.01 0.00 0.00 54.79 52.36 3df0 n ASP 114 Cb 0.88 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 3df0 n ASP 114 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3df0 n MET 115 N 1.10 0.00 -4.21 0.11 2.81 -1.26 -4.93 117.12 110.74 3df0 n MET 115 Ca 0.26 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 55.92 3df0 n MET 115 Cb 0.90 -3.81 -0.06 0.00 -0.71 0.00 0.00 33.22 29.53 3df0 n MET 115 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3df0 s GLU 116 N 0.00 2.54 -0.21 0.03 2.02 -1.23 -4.77 118.70 117.09 3df0 s GLU 116 Ca 0.00 -1.29 -0.17 0.00 0.02 0.00 0.00 54.97 53.54 3df0 s GLU 116 Cb 0.00 -2.32 -0.04 0.00 0.10 0.00 0.00 34.13 31.88 3df0 s GLU 116 CO 0.00 0.36 0.44 0.08 0.02 0.00 0.00 175.26 176.16 3df0 s VAL 117 N -2.26 5.16 0.31 2.63 1.01 -0.23 -4.58 120.40 122.44 3df0 s VAL 117 Ca 0.32 0.79 -0.13 0.00 0.00 0.00 0.00 61.98 62.96 3df0 s VAL 117 Cb -0.07 -3.77 -0.08 0.00 0.00 0.00 0.00 36.38 32.46 3df0 s VAL 117 CO 0.22 0.22 0.69 -0.94 0.00 0.00 0.00 175.10 175.29 3df0 s SER 118 N 1.12 6.71 0.31 3.32 1.04 -1.26 -2.61 113.70 122.33 3df0 s SER 118 Ca 0.21 1.17 0.08 0.00 0.48 0.00 0.00 55.95 57.89 3df0 s SER 118 Cb -0.15 -2.33 0.87 0.00 0.10 0.00 0.00 66.02 64.51 3df0 s SER 118 CO 0.09 -0.19 1.67 0.00 0.98 0.00 0.00 173.24 175.79 3df0 h ALA 119 N 2.22 1.62 -0.25 5.32 0.00 -1.93 1.85 119.26 128.09 3df0 h ALA 119 Ca -0.48 0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 3df0 h ALA 119 Cb 1.17 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3df0 h ALA 119 CO 0.66 -0.45 -0.09 1.15 0.00 0.00 0.00 179.25 180.52 3df0 h THR 120 N 0.34 1.29 -0.18 0.00 2.02 -1.92 -0.87 112.91 113.60 3df0 h THR 120 Ca 0.63 -1.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 3df0 h THR 120 Cb 1.32 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 3df0 h THR 120 CO -0.59 0.35 0.06 -0.33 0.37 0.00 0.00 175.52 175.38 3df0 h GLU 121 N 0.22 0.28 -0.58 6.66 5.08 -1.46 -0.94 114.58 123.85 3df0 h GLU 121 Ca 0.06 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 3df0 h GLU 121 Cb 0.57 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.72 3df0 h GLU 121 CO 0.03 0.38 0.25 1.25 -1.00 0.00 0.00 179.01 179.92 3df0 h LEU 122 N 0.12 0.31 0.00 1.33 5.85 0.28 0.20 115.31 123.40 3df0 h LEU 122 Ca 0.06 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3df0 h LEU 122 Cb 0.21 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3df0 h LEU 122 CO -0.00 0.20 0.00 0.80 -0.34 0.00 0.00 178.44 179.09 3df0 n MET 123 N -4.94 0.00 -0.14 1.25 1.56 -0.34 -1.86 117.12 112.66 3df0 n MET 123 Ca 0.07 0.50 -0.01 0.00 -0.27 0.00 0.00 57.70 57.99 3df0 n MET 123 Cb 0.22 -1.27 0.00 0.00 2.15 0.00 0.00 33.22 34.32 3df0 n MET 123 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 3df0 n ASN 124 N -1.66 -0.26 0.03 6.12 5.15 -0.37 -0.23 115.26 124.03 3df0 n ASN 124 Ca 0.00 0.61 -0.09 0.00 -0.60 0.00 0.00 54.58 54.50 3df0 n ASN 124 Cb 0.00 -0.12 -0.05 0.00 -0.53 0.00 0.00 39.78 39.07 3df0 n ASN 124 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 3df0 h ILE 125 N 0.00 0.00 0.06 -1.44 1.08 -0.84 -2.35 117.51 114.02 3df0 h ILE 125 Ca 0.10 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.59 3df0 h ILE 125 Cb 0.19 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.92 3df0 h ILE 125 CO -0.34 0.00 -0.16 -0.07 -0.69 0.00 0.00 178.15 176.89 3df0 h LEU 126 N -0.37 -0.45 -1.71 1.44 3.38 0.15 -1.16 115.31 116.58 3df0 h LEU 126 Ca 0.01 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.12 3df0 h LEU 126 Cb 0.40 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3df0 h LEU 126 CO -0.20 -0.23 0.35 0.78 0.09 0.00 0.00 178.44 179.24 3df0 h ASN 127 N -0.29 0.30 0.10 -0.43 2.35 -1.38 0.21 115.58 116.42 3df0 h ASN 127 Ca 0.03 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.72 3df0 h ASN 127 Cb 0.33 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 3df0 h ASN 127 CO -0.11 0.18 -0.23 0.50 -1.65 0.00 0.00 177.43 176.13 3df0 h LYS 128 N 0.33 0.24 0.14 0.81 1.63 -0.67 -3.04 116.57 116.01 3df0 h LYS 128 Ca 0.24 -0.07 -0.25 0.00 -0.85 0.00 0.00 60.65 59.72 3df0 h LYS 128 Cb 0.49 -0.02 0.01 0.00 -0.60 0.00 0.00 32.23 32.11 3df0 h LYS 128 CO -0.06 0.46 -1.19 0.28 -3.45 0.00 0.00 179.45 175.49 3df0 h VAL 129 N 0.22 1.24 -0.90 2.00 2.07 0.13 -3.29 116.25 117.72 3df0 h VAL 129 Ca 0.04 -2.48 0.02 0.00 0.82 0.00 0.00 66.70 65.09 3df0 h VAL 129 Cb 0.53 2.94 -0.05 0.00 -1.52 0.00 0.00 31.29 33.19 3df0 h VAL 129 CO 0.04 0.72 0.59 -0.37 0.02 0.00 0.00 177.57 178.57 3df0 h VAL 130 N -0.29 1.20 -0.01 2.57 -1.51 -1.24 -2.66 116.25 114.31 3df0 h VAL 130 Ca -0.24 -0.40 -0.05 0.00 -1.23 0.00 0.00 66.70 64.78 3df0 h VAL 130 Cb 1.76 -0.08 -0.01 0.00 -2.13 0.00 0.00 31.29 30.82 3df0 h VAL 130 CO 0.12 0.22 -0.24 0.71 -1.23 0.00 0.00 177.57 177.15 3df0 h THR 131 N 1.18 1.18 0.00 7.19 1.35 -1.65 0.39 112.91 122.54 3df0 h THR 131 Ca 0.34 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 3df0 h THR 131 Cb -0.08 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 3df0 h THR 131 CO -0.09 0.24 0.00 -1.14 -0.25 0.00 0.00 175.52 174.29 3df0 n ARG 132 N -4.25 0.14 -3.40 4.72 0.63 -1.03 -4.00 116.66 109.47 3df0 n ARG 132 Ca -0.02 0.27 -0.26 0.00 -0.92 0.00 0.00 57.85 56.92 3df0 n ARG 132 Cb 0.30 -1.72 -0.08 0.00 0.45 0.00 0.00 32.46 31.40 3df0 n ARG 132 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3df0 n HIS 133 N -1.98 2.78 0.78 -0.14 8.25 0.14 -4.95 115.22 120.09 3df0 n HIS 133 Ca 0.04 -4.04 0.07 0.00 -0.26 0.00 0.00 57.72 53.53 3df0 n HIS 133 Cb 0.28 -0.51 0.38 0.00 1.12 0.00 0.00 29.99 31.27 3df0 n HIS 133 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3df0 n PRO 134 N 1.04 0.35 0.00 -0.41 -0.04 -1.18 -2.03 135.00 132.73 3df0 n PRO 134 Ca 0.28 0.05 0.15 0.00 -0.04 0.00 0.00 63.50 63.93 3df0 n PRO 134 Cb 0.43 -1.50 0.67 0.00 -0.04 0.00 0.00 33.50 33.06 3df0 n PRO 134 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3df0 n ASP 135 N -1.09 0.49 -4.22 3.54 5.75 -1.26 -4.43 116.55 115.32 3df0 n ASP 135 Ca 0.09 -0.75 -0.41 0.00 -0.01 0.00 0.00 54.79 53.71 3df0 n ASP 135 Cb 0.07 -0.06 -0.09 0.00 -1.03 0.00 0.00 41.12 40.01 3df0 n ASP 135 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3df0 s LEU 136 N -2.33 5.61 0.20 -2.12 1.43 -0.86 -4.45 118.68 116.15 3df0 s LEU 136 Ca 0.34 -1.83 -0.33 0.00 -1.03 0.00 0.00 54.13 51.28 3df0 s LEU 136 Cb 0.21 -2.01 -0.13 0.00 0.03 0.00 0.00 46.19 44.28 3df0 s LEU 136 CO 0.44 -0.67 1.57 0.29 0.23 0.00 0.00 176.35 178.21 3df0 n LYS 137 N 4.92 2.27 -3.58 1.70 4.01 -1.12 -4.88 118.16 121.48 3df0 n LYS 137 Ca -0.08 0.82 -0.14 0.00 -0.51 0.00 0.00 58.31 58.40 3df0 n LYS 137 Cb 0.41 -2.58 -0.06 0.00 -0.51 0.00 0.00 35.03 32.29 3df0 n LYS 137 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 3df0 s THR 138 N 0.68 0.00 -1.57 -0.18 -1.32 -1.26 -1.49 115.64 110.49 3df0 s THR 138 Ca 0.75 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 61.27 3df0 s THR 138 Cb -0.63 -1.00 0.17 0.00 -1.51 0.00 0.00 72.50 69.53 3df0 s THR 138 CO 0.40 0.00 1.01 -0.90 -2.21 0.00 0.00 174.62 172.92 3df0 n ASP 139 N 1.60 1.36 0.00 8.08 5.68 -1.26 -5.03 116.55 126.97 3df0 n ASP 139 Ca -0.14 -2.08 0.00 0.00 -0.50 0.00 0.00 54.79 52.07 3df0 n ASP 139 Cb 0.56 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 3df0 n ASP 139 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3df0 n GLY 140 N 0.55 -1.60 3.61 6.12 0.00 -1.26 -4.87 105.19 107.74 3df0 n GLY 140 Ca 0.06 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 3df0 n GLY 140 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3df0 s PHE 141 N -2.76 3.20 0.57 1.61 0.40 -1.26 -4.89 117.98 114.85 3df0 s PHE 141 Ca 0.00 0.77 -0.14 0.00 -0.60 0.00 0.00 56.93 56.96 3df0 s PHE 141 Cb 0.00 -3.19 -0.06 0.00 0.51 0.00 0.00 43.02 40.28 3df0 s PHE 141 CO 0.00 -0.56 1.01 0.20 0.70 0.00 0.00 175.22 176.57 3df0 s GLY 142 N 1.63 1.85 0.24 4.36 0.00 -1.26 -4.92 107.32 109.21 3df0 s GLY 142 Ca 0.31 0.03 -0.05 0.00 0.00 0.00 0.00 44.72 45.01 3df0 s GLY 142 CO 0.12 0.31 1.75 1.19 0.00 0.00 0.00 173.10 176.47 3df0 h ILE 143 N 0.25 0.74 -0.82 0.90 6.09 -1.97 -2.53 117.51 120.17 3df0 h ILE 143 Ca -0.45 -0.18 0.01 0.00 -1.37 0.00 0.00 64.86 62.87 3df0 h ILE 143 Cb 1.19 0.18 -0.04 0.00 0.47 0.00 0.00 36.82 38.61 3df0 h ILE 143 CO 0.62 0.09 0.53 0.44 -3.07 0.00 0.00 178.15 176.76 3df0 h ASP 144 N 0.52 0.95 0.43 2.19 3.45 -1.97 -0.68 116.42 121.31 3df0 h ASP 144 Ca 0.39 -0.03 -0.20 0.00 0.43 0.00 0.00 57.03 57.62 3df0 h ASP 144 Cb 0.52 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.05 3df0 h ASP 144 CO -0.34 0.70 -0.83 0.71 -1.57 0.00 0.00 179.24 177.90 3df0 h THR 145 N 1.11 1.44 0.00 0.35 1.35 -1.85 -2.63 112.91 112.68 3df0 h THR 145 Ca 0.30 -2.41 -0.03 0.00 -0.55 0.00 0.00 66.41 63.72 3df0 h THR 145 Cb -0.11 2.33 -0.00 0.00 -1.73 0.00 0.00 68.15 68.63 3df0 h THR 145 CO -0.06 0.71 -0.15 0.00 -0.25 0.00 0.00 175.52 175.77 3df0 h ARG 147 N 0.00 0.13 -0.16 0.00 3.08 -0.77 -2.55 114.38 114.10 3df0 h ARG 147 Ca -0.00 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 59.85 3df0 h ARG 147 Cb 0.51 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 3df0 h ARG 147 CO 0.02 0.38 -0.57 0.66 -1.07 0.00 0.00 179.97 179.39 3df0 h SER 148 N -0.14 0.55 -0.25 7.04 4.64 -1.30 0.31 113.55 124.41 3df0 h SER 148 Ca 0.02 -0.30 0.06 0.00 -0.47 0.00 0.00 61.79 61.10 3df0 h SER 148 Cb 0.32 -0.16 -0.07 0.00 -0.31 0.00 0.00 62.40 62.18 3df0 h SER 148 CO 0.00 1.00 -0.19 0.24 -0.87 0.00 0.00 176.83 177.02 3df0 h MET 149 N 0.38 -0.17 -0.81 4.77 2.86 -1.33 0.28 114.93 120.91 3df0 h MET 149 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3df0 h MET 149 Cb 1.10 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.76 3df0 h MET 149 CO 0.10 -0.12 0.51 0.28 1.06 0.00 0.00 176.91 178.75 3df0 h VAL 150 N -0.18 1.22 0.51 -2.22 2.07 -1.17 -0.91 116.25 115.57 3df0 h VAL 150 Ca 0.14 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 3df0 h VAL 150 Cb 0.39 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3df0 h VAL 150 CO -0.36 0.22 -0.48 0.00 0.02 0.00 0.00 177.57 176.97 3df0 h ALA 151 N 1.28 -1.15 0.00 1.67 0.00 0.10 0.72 119.26 121.88 3df0 h ALA 151 Ca 0.29 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3df0 h ALA 151 Cb -0.09 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3df0 h ALA 151 CO -0.06 -1.17 -0.39 -0.39 0.00 0.00 0.00 179.25 177.24 3df0 h VAL 152 N -0.98 1.26 0.18 0.00 -1.51 -0.49 -2.72 116.25 111.98 3df0 h VAL 152 Ca -0.06 -1.36 -0.31 0.00 -1.23 0.00 0.00 66.70 63.73 3df0 h VAL 152 Cb 0.84 1.74 0.01 0.00 -2.13 0.00 0.00 31.29 31.75 3df0 h VAL 152 CO -0.04 0.39 -1.44 0.24 -1.23 0.00 0.00 177.57 175.49 3df0 h MET 153 N 0.00 0.37 -6.71 5.19 2.86 -0.95 -3.44 114.93 112.25 3df0 h MET 153 Ca -0.00 -0.64 -0.52 0.00 -2.06 0.00 0.00 59.70 56.47 3df0 h MET 153 Cb 0.71 0.24 0.07 0.00 0.06 0.00 0.00 31.60 32.68 3df0 h MET 153 CO 0.05 1.29 0.98 -3.47 1.06 0.00 0.00 176.91 176.82 3df0 n ASP 154 N -3.59 4.00 0.00 1.22 2.03 0.25 -4.79 116.55 115.67 3df0 n ASP 154 Ca -0.15 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.25 3df0 n ASP 154 Cb 1.06 -1.59 0.00 0.00 -0.72 0.00 0.00 41.12 39.87 3df0 n ASP 154 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 3df0 n SER 155 N 3.36 0.00 -0.32 1.67 2.88 -1.26 -4.56 113.62 115.39 3df0 n SER 155 Ca 0.13 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.82 3df0 n SER 155 Cb 0.36 0.00 0.67 0.00 -0.75 0.00 0.00 64.21 64.48 3df0 n SER 155 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3df0 n ASP 156 N -0.16 0.99 -2.85 -3.46 5.68 -1.26 -4.95 116.55 110.54 3df0 n ASP 156 Ca 0.00 -1.33 -0.17 0.00 -0.50 0.00 0.00 54.79 52.78 3df0 n ASP 156 Cb 0.00 -0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3df0 n ASP 156 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3df0 n THR 157 N -0.23 -0.87 0.63 2.12 -2.24 -1.26 -4.84 114.28 107.59 3df0 n THR 157 Ca 0.21 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 3df0 n THR 157 Cb 0.27 -1.93 0.00 0.00 -2.10 0.00 0.00 70.33 66.57 3df0 n THR 157 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3df0 n THR 158 N -3.70 0.13 0.00 4.28 -2.24 -1.26 -4.81 114.28 106.68 3df0 n THR 158 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3df0 n THR 158 Cb 0.58 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 3df0 n THR 158 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3df0 n GLY 159 N 0.29 0.00 3.50 3.38 0.00 -1.26 -4.84 105.19 106.26 3df0 n GLY 159 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3df0 n GLY 159 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df0 s LYS 160 N 0.00 1.71 -0.37 1.61 1.02 -1.26 -4.86 119.74 117.59 3df0 s LYS 160 Ca 0.00 -1.90 -0.20 0.00 0.02 0.00 0.00 55.97 53.89 3df0 s LYS 160 Cb 0.00 -1.39 0.01 0.00 -0.52 0.00 0.00 37.83 35.93 3df0 s LYS 160 CO 0.00 0.04 0.61 -0.51 -0.92 0.00 0.00 175.35 174.57 3df0 s LEU 161 N -3.54 4.32 0.00 3.17 1.43 -1.07 -4.80 118.68 118.19 3df0 s LEU 161 Ca 0.32 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 3df0 s LEU 161 Cb 0.05 -2.73 0.00 0.00 0.03 0.00 0.00 46.19 43.54 3df0 s LEU 161 CO 0.15 -0.60 0.00 0.61 0.23 0.00 0.00 176.35 176.73 3df0 n GLY 162 N 4.76 -1.28 0.43 -3.19 0.00 -1.26 -1.07 105.19 103.59 3df0 n GLY 162 Ca -0.02 -1.62 -0.19 0.00 0.00 0.00 0.00 46.02 44.20 3df0 n GLY 162 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3df0 h PHE 163 N -0.84 -0.99 -0.24 1.61 3.57 -1.98 0.22 116.94 118.30 3df0 h PHE 163 Ca 0.00 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 3df0 h PHE 163 Cb 0.00 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3df0 h PHE 163 CO 0.00 -0.61 0.04 0.93 -2.23 0.00 0.00 178.31 176.45 3df0 h GLU 164 N -1.11 0.34 0.65 1.11 4.39 -1.99 1.00 114.58 118.97 3df0 h GLU 164 Ca -0.11 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.51 3df0 h GLU 164 Cb 0.83 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.42 3df0 h GLU 164 CO 0.18 0.33 -0.31 0.93 -1.16 0.00 0.00 179.01 178.98 3df0 h GLU 165 N 0.33 -0.85 -0.31 2.33 5.08 -1.88 -2.69 114.58 116.60 3df0 h GLU 165 Ca 0.08 0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.56 3df0 h GLU 165 Cb 0.16 0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 3df0 h GLU 165 CO -0.00 -0.53 -0.04 0.35 -1.00 0.00 0.00 179.01 177.79 3df0 h PHE 166 N -1.14 -0.10 -0.48 4.33 3.57 0.29 -1.66 116.94 121.76 3df0 h PHE 166 Ca -0.09 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.53 3df0 h PHE 166 Cb 0.71 0.09 -0.10 0.00 2.79 0.00 0.00 35.95 39.44 3df0 h PHE 166 CO 0.00 -0.10 -0.25 -0.22 -2.23 0.00 0.00 178.31 175.51 3df0 h LYS 167 N 0.04 -0.14 0.27 1.11 3.64 -0.95 0.44 116.57 120.98 3df0 h LYS 167 Ca 0.15 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3df0 h LYS 167 Cb 0.22 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3df0 h LYS 167 CO -0.29 -0.09 -0.19 -0.92 -2.27 0.00 0.00 179.45 175.69 3df0 h TYR 168 N -0.15 -0.49 -0.15 1.91 3.20 -1.01 0.26 116.97 120.54 3df0 h TYR 168 Ca 0.22 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.12 3df0 h TYR 168 Cb 0.49 0.18 -0.07 0.00 1.54 0.00 0.00 36.73 38.87 3df0 h TYR 168 CO -0.52 -0.29 -0.47 1.25 -1.64 0.00 0.00 178.16 176.49 3df0 h LEU 169 N -0.45 -1.50 0.13 2.82 5.85 -0.98 -1.61 115.31 119.58 3df0 h LEU 169 Ca -0.02 0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.91 3df0 h LEU 169 Cb 0.39 0.60 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 3df0 h LEU 169 CO 0.01 -0.45 -0.31 -0.25 -0.34 0.00 0.00 178.44 177.10 3df0 h TRP 170 N -0.53 -0.84 -0.95 1.25 2.91 -0.59 -0.87 115.95 116.33 3df0 h TRP 170 Ca 0.06 0.02 0.28 0.00 1.13 0.00 0.00 58.89 60.38 3df0 h TRP 170 Cb 0.65 0.35 -0.15 0.00 -0.51 0.00 0.00 29.16 29.51 3df0 h TRP 170 CO -0.54 -0.42 0.42 -0.91 -1.03 0.00 0.00 178.44 175.97 3df0 h ASN 171 N -0.54 0.29 0.23 2.65 2.35 -0.62 0.19 115.58 120.13 3df0 h ASN 171 Ca 0.03 0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 3df0 h ASN 171 Cb 0.56 0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.13 3df0 h ASN 171 CO -0.17 -0.14 -0.11 0.78 -1.65 0.00 0.00 177.43 176.14 3df0 h ASN 172 N 0.28 -0.26 -0.85 5.81 2.35 -0.22 -1.74 115.58 120.94 3df0 h ASN 172 Ca 0.66 -0.18 0.21 0.00 -0.55 0.00 0.00 56.30 56.43 3df0 h ASN 172 Cb 1.42 0.07 -0.13 0.00 0.05 0.00 0.00 38.32 39.73 3df0 h ASN 172 CO -0.63 0.05 0.28 0.40 -1.65 0.00 0.00 177.43 175.88 3df0 h ILE 173 N -0.58 0.42 -0.67 2.81 2.04 0.47 0.24 117.51 122.25 3df0 h ILE 173 Ca -0.03 -0.10 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 3df0 h ILE 173 Cb 0.42 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 3df0 h ILE 173 CO 0.05 0.05 0.19 0.07 0.00 0.00 0.00 178.15 178.51 3df0 h LYS 174 N 0.30 1.05 0.36 2.37 2.10 -1.00 0.26 116.57 122.01 3df0 h LYS 174 Ca 0.52 -0.24 -0.02 0.00 -2.00 0.00 0.00 60.65 58.91 3df0 h LYS 174 Cb 0.99 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.18 3df0 h LYS 174 CO -0.57 0.93 -0.17 -0.22 -2.00 0.00 0.00 179.45 177.41 3df0 h LYS 175 N 0.98 -0.46 0.00 0.07 3.64 0.09 -2.90 116.57 117.99 3df0 h LYS 175 Ca 0.21 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 3df0 h LYS 175 Cb 0.33 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3df0 h LYS 175 CO -0.00 -0.29 -0.05 -1.49 -2.27 0.00 0.00 179.45 175.35 3df0 h TRP 176 N -0.51 0.00 0.59 1.91 6.55 -0.18 -2.65 115.95 121.66 3df0 h TRP 176 Ca -0.05 0.00 -0.03 0.00 0.95 0.00 0.00 58.89 59.76 3df0 h TRP 176 Cb 0.39 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 28.70 3df0 h TRP 176 CO -0.04 0.05 -0.28 0.37 -1.05 0.00 0.00 178.44 177.48 3df0 h GLN 177 N 0.00 -0.77 -0.93 0.49 -0.00 -0.29 -0.49 115.11 113.13 3df0 h GLN 177 Ca -0.00 0.05 0.12 0.00 -0.00 0.00 0.00 58.65 58.82 3df0 h GLN 177 Cb 0.22 0.17 -0.08 0.00 0.00 0.00 0.00 27.48 27.79 3df0 h GLN 177 CO 0.01 -0.45 0.55 0.78 0.00 0.00 0.00 178.83 179.72 3df0 h GLY 178 N -1.05 1.50 1.81 2.39 0.00 -1.46 0.47 103.07 106.73 3df0 h GLY 178 Ca -0.08 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 3df0 h GLY 178 CO 0.13 0.12 0.09 -2.22 0.00 0.00 0.00 176.54 174.66 3df0 h ILE 179 N 0.87 1.07 0.53 2.60 2.04 -1.36 -0.49 117.51 122.78 3df0 h ILE 179 Ca 0.46 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 66.09 3df0 h ILE 179 Cb 0.48 0.83 0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3df0 h ILE 179 CO -0.28 0.08 -0.25 0.22 0.00 0.00 0.00 178.15 177.92 3df0 h TYR 180 N 0.26 -0.66 -0.70 1.37 5.03 0.16 -2.17 116.97 120.26 3df0 h TYR 180 Ca 0.07 -0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.30 3df0 h TYR 180 Cb 0.04 0.22 -0.03 0.00 1.55 0.00 0.00 36.73 38.50 3df0 h TYR 180 CO 0.00 -0.33 0.19 0.87 -1.32 0.00 0.00 178.16 177.57 3df0 h LYS 181 N -1.01 1.11 0.64 1.82 1.57 -1.14 0.12 116.57 119.67 3df0 h LYS 181 Ca -0.07 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 3df0 h LYS 181 Cb 0.62 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3df0 h LYS 181 CO 0.12 0.97 -0.47 0.00 -0.57 0.00 0.00 179.45 179.49 3df0 h ARG 182 N 1.04 -1.03 -0.00 3.15 3.08 -1.17 -3.08 114.38 116.38 3df0 h ARG 182 Ca 0.22 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3df0 h ARG 182 Cb 0.34 0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3df0 h ARG 182 CO -0.00 -0.69 -0.03 1.19 -1.07 0.00 0.00 179.97 179.37 3df0 n PHE 183 N -5.39 0.00 -2.57 3.04 3.01 -0.82 -4.11 117.46 110.62 3df0 n PHE 183 Ca -0.13 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.91 3df0 n PHE 183 Cb 0.46 -0.25 -0.01 0.00 -0.01 0.00 0.00 39.48 39.67 3df0 n PHE 183 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3df0 s ASP 184 N -2.54 6.71 0.12 4.37 3.68 0.39 -4.82 116.67 124.59 3df0 s ASP 184 Ca 0.29 -2.13 0.25 0.00 2.13 0.00 0.00 52.55 53.08 3df0 s ASP 184 Cb 0.20 -2.58 0.49 0.00 -1.45 0.00 0.00 42.92 39.59 3df0 s ASP 184 CO 0.46 -1.30 1.45 0.35 0.13 0.00 0.00 175.17 176.27 3df0 n THR 185 N 6.57 0.36 0.12 1.71 -2.24 -1.26 -3.18 114.28 116.36 3df0 n THR 185 Ca 0.44 -0.24 0.10 0.00 -2.27 0.00 0.00 64.05 62.08 3df0 n THR 185 Cb 0.48 -0.21 0.27 0.00 -2.10 0.00 0.00 70.33 68.77 3df0 n THR 185 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3df0 n ASP 186 N -2.07 3.28 -3.76 3.42 5.68 -1.26 -4.97 116.55 116.88 3df0 n ASP 186 Ca 0.04 -1.98 -0.23 0.00 -0.50 0.00 0.00 54.79 52.12 3df0 n ASP 186 Cb 0.43 -0.38 0.03 0.00 -1.14 0.00 0.00 41.12 40.06 3df0 n ASP 186 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3df0 n ARG 187 N 1.31 -4.94 0.05 0.11 3.00 -1.19 -4.89 116.66 110.11 3df0 n ARG 187 Ca 0.20 0.60 0.11 0.00 -0.01 0.00 0.00 57.85 58.76 3df0 n ARG 187 Cb 0.53 -5.20 0.04 0.00 0.00 0.00 0.00 32.46 27.84 3df0 n ARG 187 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3df0 n SER 188 N -3.01 0.64 0.00 0.55 3.41 -1.26 -4.94 113.62 109.01 3df0 n SER 188 Ca -0.24 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 3df0 n SER 188 Cb 0.65 0.64 0.00 0.00 -0.26 0.00 0.00 64.21 65.24 3df0 n SER 188 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3df0 n GLY 189 N 1.32 0.89 3.27 5.00 0.00 -1.26 -4.79 105.19 109.62 3df0 n GLY 189 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 3df0 n GLY 189 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3df0 s THR 190 N -3.57 1.61 -0.35 2.61 -4.23 -1.26 -2.81 115.64 107.65 3df0 s THR 190 Ca 0.00 -1.49 -0.24 0.00 -1.18 0.00 0.00 61.69 58.78 3df0 s THR 190 Cb 0.00 -1.47 0.01 0.00 1.34 0.00 0.00 72.50 72.38 3df0 s THR 190 CO 0.00 -0.07 0.84 -0.63 -0.54 0.00 0.00 174.62 174.22 3df0 s ILE 191 N -1.16 4.69 0.64 2.99 -1.09 -1.03 -4.81 121.20 121.43 3df0 s ILE 191 Ca 0.05 1.08 -0.02 0.00 -2.23 0.00 0.00 60.65 59.53 3df0 s ILE 191 Cb -0.10 -4.25 0.07 0.00 -1.58 0.00 0.00 42.46 36.60 3df0 s ILE 191 CO 0.04 -0.44 0.91 -0.83 -1.23 0.00 0.00 174.94 173.39 3df0 s GLY 192 N 1.80 1.77 0.12 6.18 0.00 -1.26 -1.65 107.32 114.29 3df0 s GLY 192 Ca 0.34 -1.29 -0.24 0.00 0.00 0.00 0.00 44.72 43.53 3df0 s GLY 192 CO 0.17 -0.90 1.25 1.44 0.00 0.00 0.00 173.10 175.05 3df0 n SER 193 N -2.66 -0.82 0.23 1.64 7.64 -1.24 -1.12 113.62 117.30 3df0 n SER 193 Ca 0.10 1.43 0.14 0.00 1.01 0.00 0.00 58.87 61.55 3df0 n SER 193 Cb 0.60 -0.20 0.43 0.00 -1.01 0.00 0.00 64.21 64.02 3df0 n SER 193 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3df0 h ASN 194 N 0.00 0.00 1.60 6.43 -1.07 -1.94 -3.05 115.58 117.56 3df0 h ASN 194 Ca 0.12 0.00 -0.08 0.00 0.07 0.00 0.00 56.30 56.42 3df0 h ASN 194 Cb 0.32 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.56 3df0 h ASN 194 CO -0.73 0.00 -0.40 -0.33 0.07 0.00 0.00 177.43 176.04 3df0 h GLU 195 N 0.00 0.00 0.94 4.14 5.08 -1.44 -3.39 114.58 119.91 3df0 h GLU 195 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3df0 h GLU 195 Cb 0.73 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.99 3df0 h GLU 195 CO 0.00 0.35 -0.48 1.25 -1.00 0.00 0.00 179.01 179.13 3df0 h LEU 196 N 0.00 -1.15 -1.27 1.33 7.12 -1.35 -2.88 115.31 117.11 3df0 h LEU 196 Ca -0.01 0.05 0.18 0.00 0.13 0.00 0.00 57.88 58.23 3df0 h LEU 196 Cb 1.28 0.31 -0.08 0.00 -0.53 0.00 0.00 40.66 41.63 3df0 h LEU 196 CO 0.05 -0.79 0.60 -0.65 -0.13 0.00 0.00 178.44 177.52 3df0 h PRO 197 N -1.30 0.61 -0.07 5.25 0.11 -1.77 -0.17 132.00 134.66 3df0 h PRO 197 Ca -0.13 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.98 3df0 h PRO 197 Cb 1.00 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 31.93 3df0 h PRO 197 CO 0.19 0.40 -0.21 0.78 -0.21 0.00 0.00 178.00 178.95 3df0 h GLY 198 N 0.62 -0.25 1.07 -0.55 0.00 -1.74 -2.74 103.07 99.48 3df0 h GLY 198 Ca 0.50 0.26 -0.17 0.00 0.00 0.00 0.00 47.33 47.92 3df0 h GLY 198 CO -0.25 -0.19 -0.53 0.00 0.00 0.00 0.00 176.54 175.57 3df0 h ALA 199 N 0.62 0.38 0.04 3.60 0.00 -0.85 -2.38 119.26 120.67 3df0 h ALA 199 Ca 0.08 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 3df0 h ALA 199 Cb 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3df0 h ALA 199 CO -0.24 0.58 -0.02 0.74 0.00 0.00 0.00 179.25 180.31 3df0 h PHE 200 N 0.51 -0.05 -0.70 0.00 -1.00 -1.42 0.48 116.94 114.75 3df0 h PHE 200 Ca -0.00 -0.00 0.14 0.00 2.81 0.00 0.00 57.97 60.92 3df0 h PHE 200 Cb 1.14 0.02 -0.13 0.00 3.61 0.00 0.00 35.95 40.58 3df0 h PHE 200 CO 0.08 0.25 -0.21 0.93 -1.61 0.00 0.00 178.31 177.75 3df0 h GLU 201 N -0.35 -0.03 -0.06 1.51 5.08 -1.12 0.48 114.58 120.10 3df0 h GLU 201 Ca -0.01 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3df0 h GLU 201 Cb 0.32 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 3df0 h GLU 201 CO 0.01 -0.02 0.05 0.00 -1.00 0.00 0.00 179.01 178.05 3df0 h ALA 202 N 1.60 1.94 -0.15 3.43 0.00 -0.84 0.23 119.26 125.48 3df0 h ALA 202 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3df0 h ALA 202 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3df0 h ALA 202 CO -0.74 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 178.43 3df0 n ALA 203 N -2.49 2.69 -0.80 0.00 0.00 0.16 -4.83 120.51 115.24 3df0 n ALA 203 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3df0 n ALA 203 Cb 0.15 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3df0 n ALA 203 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df0 n GLY 204 N 0.37 0.99 3.86 0.00 0.00 0.81 -5.03 105.19 106.19 3df0 n GLY 204 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3df0 n GLY 204 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3df0 s PHE 205 N -3.64 3.64 -0.33 1.61 0.08 0.42 -4.93 117.98 114.82 3df0 s PHE 205 Ca 0.00 0.84 -0.00 0.00 0.12 0.00 0.00 56.93 57.89 3df0 s PHE 205 Cb 0.00 -2.18 0.11 0.00 -0.57 0.00 0.00 43.02 40.37 3df0 s PHE 205 CO 0.00 0.59 0.12 -1.01 -0.10 0.00 0.00 175.22 174.82 3df0 s HIS 206 N -1.23 1.86 0.41 0.36 3.76 -1.26 -2.18 115.29 117.00 3df0 s HIS 206 Ca 0.27 -1.92 0.05 0.00 -0.15 0.00 0.00 55.06 53.32 3df0 s HIS 206 Cb -0.15 -1.80 -0.06 0.00 1.11 0.00 0.00 32.58 31.67 3df0 s HIS 206 CO 0.15 -0.87 0.02 -0.51 -0.85 0.00 0.00 174.74 172.68 3df0 s LEU 207 N 1.37 2.61 0.39 0.89 1.43 -1.26 -5.13 118.68 118.98 3df0 s LEU 207 Ca 0.11 -1.43 0.06 0.00 -1.03 0.00 0.00 54.13 51.84 3df0 s LEU 207 Cb -0.19 -0.74 0.00 0.00 0.03 0.00 0.00 46.19 45.30 3df0 s LEU 207 CO -0.20 -0.57 0.55 0.54 0.23 0.00 0.00 176.35 176.91 3df0 s ASN 208 N -3.69 5.81 0.30 2.29 2.20 -1.26 -4.99 114.94 115.60 3df0 s ASN 208 Ca 0.30 -0.17 0.01 0.00 -0.94 0.00 0.00 52.86 52.06 3df0 s ASN 208 Cb 0.08 -1.09 0.54 0.00 -2.00 0.00 0.00 41.25 38.78 3df0 s ASN 208 CO 0.15 -0.62 1.90 0.06 -2.94 0.00 0.00 177.10 175.65 3df0 h GLN 209 N 0.69 0.99 0.20 3.55 -0.00 -2.01 -2.01 115.11 116.52 3df0 h GLN 209 Ca -0.44 -0.06 0.01 0.00 -0.00 0.00 0.00 58.65 58.16 3df0 h GLN 209 Cb 1.27 -0.22 -0.04 0.00 -0.00 0.00 0.00 27.48 28.48 3df0 h GLN 209 CO 0.51 0.66 -0.42 0.45 -0.00 0.00 0.00 178.83 180.03 3df0 h HIS 210 N 1.02 -1.17 -0.61 0.06 -0.00 -2.00 0.34 115.15 112.79 3df0 h HIS 210 Ca 0.40 0.02 0.10 0.00 -0.00 0.00 0.00 60.37 60.89 3df0 h HIS 210 Cb 0.24 0.49 -0.07 0.00 -0.00 0.00 0.00 27.41 28.06 3df0 h HIS 210 CO -0.00 -0.53 0.22 0.82 -0.00 0.00 0.00 177.93 178.43 3df0 h ILE 211 N -0.71 0.75 -0.04 2.45 1.08 -1.91 -2.40 117.51 116.73 3df0 h ILE 211 Ca 0.00 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 3df0 h ILE 211 Cb 0.70 0.33 -0.00 0.00 -3.07 0.00 0.00 36.82 34.77 3df0 h ILE 211 CO -0.19 0.07 0.02 1.88 -0.69 0.00 0.00 178.15 179.24 3df0 h TYR 212 N 0.39 0.04 -0.18 1.37 0.05 -0.60 -0.73 116.97 117.30 3df0 h TYR 212 Ca 0.31 0.00 0.05 0.00 0.05 0.00 0.00 58.73 59.15 3df0 h TYR 212 Cb 0.40 -0.01 -0.07 0.00 1.01 0.00 0.00 36.73 38.06 3df0 h TYR 212 CO -0.18 0.03 -0.35 0.77 -1.05 0.00 0.00 178.16 177.38 3df0 h SER 213 N 0.05 -1.11 -0.87 3.88 0.02 -0.63 0.35 113.55 115.25 3df0 h SER 213 Ca 0.01 0.16 0.01 0.00 -0.84 0.00 0.00 61.79 61.13 3df0 h SER 213 Cb -0.00 0.47 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 3df0 h SER 213 CO -0.01 -0.37 0.57 0.24 -1.14 0.00 0.00 176.83 176.12 3df0 h MET 214 N -0.40 1.16 -0.37 3.45 2.86 -1.19 0.67 114.93 121.12 3df0 h MET 214 Ca 0.10 -0.08 0.08 0.00 -2.06 0.00 0.00 59.70 57.74 3df0 h MET 214 Cb 0.57 -0.26 -0.08 0.00 0.06 0.00 0.00 31.60 31.89 3df0 h MET 214 CO -0.40 0.78 -0.14 0.82 1.06 0.00 0.00 176.91 179.03 3df0 h ILE 215 N 1.19 0.54 -0.24 -1.22 1.08 -0.71 0.24 117.51 118.38 3df0 h ILE 215 Ca 0.32 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.73 3df0 h ILE 215 Cb -0.12 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 34.16 3df0 h ILE 215 CO -0.07 0.00 -0.11 0.40 -0.69 0.00 0.00 178.15 177.69 3df0 h ILE 216 N -0.06 1.20 -0.59 -0.67 2.04 0.13 0.77 117.51 120.34 3df0 h ILE 216 Ca 0.18 -0.89 -0.10 0.00 1.00 0.00 0.00 64.86 65.05 3df0 h ILE 216 Cb 0.34 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 3df0 h ILE 216 CO -0.41 0.29 -0.03 -0.09 0.00 0.00 0.00 178.15 177.91 3df0 h ARG 217 N 0.37 1.06 0.09 2.37 2.43 0.11 -1.87 114.38 118.95 3df0 h ARG 217 Ca 0.07 -0.35 -0.31 0.00 -0.81 0.00 0.00 59.98 58.58 3df0 h ARG 217 Cb 0.42 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 3df0 h ARG 217 CO 0.02 1.05 -1.63 -0.09 -1.51 0.00 0.00 179.97 177.82 3df0 h ARG 218 N 0.96 0.20 -0.00 0.20 9.65 0.53 -3.39 114.38 122.52 3df0 h ARG 218 Ca 0.16 -0.34 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 3df0 h ARG 218 Cb 0.59 0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.30 3df0 h ARG 218 CO 0.04 1.01 -0.62 0.66 2.80 0.00 0.00 179.97 183.86 3df0 n TYR 219 N -3.38 0.00 -4.05 2.20 4.01 0.26 -5.02 117.16 111.18 3df0 n TYR 219 Ca -0.19 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.31 3df0 n TYR 219 Cb 1.04 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 40.03 3df0 n TYR 219 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3df0 s SER 220 N -2.27 5.79 -0.20 7.72 0.01 -0.70 -4.67 113.70 119.38 3df0 s SER 220 Ca 0.07 -0.07 -0.22 0.00 1.31 0.00 0.00 55.95 57.04 3df0 s SER 220 Cb 0.11 -1.58 -0.02 0.00 0.21 0.00 0.00 66.02 64.74 3df0 s SER 220 CO 0.56 0.03 0.68 -0.62 0.41 0.00 0.00 173.24 174.29 3df0 s ASP 221 N -3.39 6.73 0.00 2.44 2.15 0.37 -4.84 116.67 120.14 3df0 s ASP 221 Ca 0.32 0.90 0.00 0.00 0.43 0.00 0.00 52.55 54.20 3df0 s ASP 221 Cb -0.10 -2.37 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 3df0 s ASP 221 CO 0.25 -0.32 0.00 -0.62 -0.17 0.00 0.00 175.17 174.32 3df0 n GLU 222 N 5.19 0.00 0.00 4.34 1.02 -1.26 -0.37 120.64 129.56 3df0 n GLU 222 Ca 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.29 3df0 n GLU 222 Cb 0.49 0.00 0.71 0.00 -0.02 0.00 0.00 31.44 32.62 3df0 n GLU 222 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3df0 n THR 223 N 0.00 0.00 0.00 2.62 -2.24 -1.26 -4.89 114.28 108.51 3df0 n THR 223 Ca 0.00 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3df0 n THR 223 Cb 0.00 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 3df0 n THR 223 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3df0 n GLY 224 N 1.33 2.86 3.83 3.38 0.00 0.51 -4.82 105.19 112.27 3df0 n GLY 224 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 3df0 n GLY 224 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3df0 s ASN 225 N -1.20 6.12 -0.05 1.61 0.01 -1.12 -3.63 114.94 116.69 3df0 s ASN 225 Ca 0.00 1.62 -0.01 0.00 -0.71 0.00 0.00 52.86 53.76 3df0 s ASN 225 Cb 0.00 -2.51 0.03 0.00 0.41 0.00 0.00 41.25 39.18 3df0 s ASN 225 CO 0.00 -0.93 0.01 -0.32 -1.51 0.00 0.00 177.10 174.35 3df0 s MET 226 N -4.42 0.37 1.13 -0.60 -2.45 -0.66 0.14 119.30 112.82 3df0 s MET 226 Ca 0.59 0.16 -0.17 0.00 -1.25 0.00 0.00 55.69 55.03 3df0 s MET 226 Cb -0.12 -0.74 0.20 0.00 1.25 0.00 0.00 34.83 35.42 3df0 s MET 226 CO 0.41 -0.26 0.38 -3.47 1.05 0.00 0.00 175.02 173.13 3df0 n ASP 227 N 4.91 -3.04 -0.07 1.11 4.64 -1.26 -2.47 116.55 120.36 3df0 n ASP 227 Ca -0.11 -0.41 -0.11 0.00 -1.38 0.00 0.00 54.79 52.77 3df0 n ASP 227 Cb 0.50 -0.88 -0.08 0.00 -1.04 0.00 0.00 41.12 39.62 3df0 n ASP 227 CO 0.00 0.00 0.00 0.15 -0.82 0.00 0.00 177.20 176.53 3df0 h PHE 228 N -2.74 0.00 -0.90 -0.67 3.57 -1.50 -3.12 116.94 111.58 3df0 h PHE 228 Ca -0.36 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.26 3df0 h PHE 228 Cb 1.04 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.71 3df0 h PHE 228 CO -2.29 0.72 0.58 0.38 -2.23 0.00 0.00 178.31 175.47 3df0 h ASP 229 N -1.00 0.75 -0.58 0.41 2.03 -1.90 -1.76 116.42 114.37 3df0 h ASP 229 Ca -0.07 0.03 -0.09 0.00 -0.73 0.00 0.00 57.03 56.17 3df0 h ASP 229 Cb 0.74 -0.12 -0.02 0.00 -0.83 0.00 0.00 39.33 39.10 3df0 h ASP 229 CO -0.04 0.41 0.01 0.78 -1.03 0.00 0.00 179.24 179.38 3df0 h ASN 230 N 0.82 1.01 0.04 4.15 4.21 -1.93 -0.68 115.58 123.19 3df0 h ASN 230 Ca 0.44 -0.27 -0.10 0.00 1.21 0.00 0.00 56.30 57.57 3df0 h ASN 230 Cb 0.54 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 37.46 3df0 h ASN 230 CO -0.20 1.05 -0.32 0.15 -1.29 0.00 0.00 177.43 176.83 3df0 h PHE 231 N 0.95 0.46 0.01 1.19 3.57 -1.28 -0.29 116.94 121.54 3df0 h PHE 231 Ca 0.17 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 3df0 h PHE 231 Cb 0.53 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.16 3df0 h PHE 231 CO 0.04 0.68 -0.00 0.82 -2.23 0.00 0.00 178.31 177.61 3df0 h ILE 232 N 0.35 1.60 -0.78 1.41 1.08 -1.21 -2.30 117.51 117.66 3df0 h ILE 232 Ca 0.04 -1.98 0.10 0.00 -0.39 0.00 0.00 64.86 62.64 3df0 h ILE 232 Cb 0.73 2.92 -0.05 0.00 -3.07 0.00 0.00 36.82 37.35 3df0 h ILE 232 CO 0.06 0.50 0.51 -1.28 -0.69 0.00 0.00 178.15 177.25 3df0 h SER 233 N -0.88 0.63 -0.02 1.72 0.87 -1.03 -0.41 113.55 114.43 3df0 h SER 233 Ca -0.00 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 3df0 h SER 233 Cb 0.83 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 3df0 h SER 233 CO 0.00 0.37 -0.04 0.00 -0.53 0.00 0.00 176.83 176.63 3df0 h LEU 235 N -0.49 0.00 -0.43 0.00 3.38 -0.78 -1.78 115.31 115.22 3df0 h LEU 235 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3df0 h LEU 235 Cb 0.61 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3df0 h LEU 235 CO 0.01 0.26 0.27 0.58 0.09 0.00 0.00 178.44 179.64 3df0 h VAL 236 N 0.00 1.13 0.00 1.22 2.07 -1.10 -0.04 116.25 119.53 3df0 h VAL 236 Ca -0.00 -0.28 -0.16 0.00 0.82 0.00 0.00 66.70 67.07 3df0 h VAL 236 Cb 0.46 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3df0 h VAL 236 CO 0.03 0.13 -0.83 0.08 0.02 0.00 0.00 177.57 177.00 3df0 h ARG 237 N 0.57 0.00 0.21 1.57 0.11 -1.47 -0.84 114.38 114.53 3df0 h ARG 237 Ca 0.16 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.24 3df0 h ARG 237 Cb -0.02 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.03 3df0 h ARG 237 CO -0.03 0.69 -0.27 -0.07 0.10 0.00 0.00 179.97 180.40 3df0 h LEU 238 N 0.00 -0.73 -1.29 0.08 -0.00 -1.26 -1.97 115.31 110.14 3df0 h LEU 238 Ca -0.03 0.07 0.14 0.00 -0.00 0.00 0.00 57.88 58.06 3df0 h LEU 238 Cb 1.59 0.26 -0.07 0.00 -0.00 0.00 0.00 40.66 42.44 3df0 h LEU 238 CO 0.09 -0.37 0.57 -0.78 -0.00 0.00 0.00 178.44 177.95 3df0 h ASP 239 N -0.53 0.65 0.66 -0.43 3.58 -0.86 -1.88 116.42 117.61 3df0 h ASP 239 Ca 0.01 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.46 3df0 h ASP 239 Cb 0.51 -0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.48 3df0 h ASP 239 CO -0.09 0.33 -0.32 0.00 -2.88 0.00 0.00 179.24 176.28 3df0 h ALA 240 N 1.60 -0.89 0.00 -0.78 0.00 -0.84 -2.92 119.26 115.43 3df0 h ALA 240 Ca 0.45 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3df0 h ALA 240 Cb 0.72 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3df0 h ALA 240 CO -0.20 -0.84 -0.01 0.52 0.00 0.00 0.00 179.25 178.72 3df0 h MET 241 N -1.21 0.00 0.00 0.00 2.86 -1.17 0.46 114.93 115.87 3df0 h MET 241 Ca -0.09 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.37 3df0 h MET 241 Cb 0.70 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.33 3df0 h MET 241 CO 0.15 0.01 -0.84 0.35 1.06 0.00 0.00 176.91 177.64 3df0 h PHE 242 N 0.00 0.00 0.11 -0.22 3.57 -1.32 -0.96 116.94 118.12 3df0 h PHE 242 Ca -0.00 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.16 3df0 h PHE 242 Cb 0.05 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3df0 h PHE 242 CO 0.00 0.84 -1.80 0.00 -2.23 0.00 0.00 178.31 175.12 3df0 h ARG 243 N 0.00 0.23 -0.13 1.11 3.08 -0.89 -2.85 114.38 114.93 3df0 h ARG 243 Ca -0.01 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.65 3df0 h ARG 243 Cb 1.54 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.73 3df0 h ARG 243 CO 0.11 1.07 0.08 0.00 -1.07 0.00 0.00 179.97 180.16 3df0 h ALA 244 N 0.36 0.17 0.16 0.04 0.00 -1.02 0.48 119.26 119.46 3df0 h ALA 244 Ca -0.34 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.56 3df0 h ALA 244 Cb 2.04 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.74 3df0 h ALA 244 CO 0.12 -0.33 -0.27 0.35 0.00 0.00 0.00 179.25 179.11 3df0 h PHE 245 N 0.16 -0.73 -0.60 0.00 3.57 -1.27 -2.46 116.94 115.60 3df0 h PHE 245 Ca 0.05 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.64 3df0 h PHE 245 Cb 0.01 0.30 -0.10 0.00 2.79 0.00 0.00 35.95 38.94 3df0 h PHE 245 CO -0.06 -0.38 -0.48 -0.09 -2.23 0.00 0.00 178.31 175.07 3df0 h ARG 246 N -0.51 -0.23 0.00 1.11 2.43 -1.22 0.28 114.38 116.24 3df0 h ARG 246 Ca 0.02 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3df0 h ARG 246 Cb 0.52 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3df0 h ARG 246 CO -0.13 -0.15 0.12 0.45 -1.51 0.00 0.00 179.97 178.74 3df0 n SER 247 N -5.39 0.00 0.00 -3.80 2.88 0.17 -0.79 113.62 106.69 3df0 n SER 247 Ca 0.01 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 3df0 n SER 247 Cb 0.34 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 3df0 n SER 247 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3df0 n LEU 248 N -0.92 0.00 -2.75 2.46 4.77 0.87 -4.83 117.00 116.61 3df0 n LEU 248 Ca 0.00 -0.14 -0.17 0.00 -0.03 0.00 0.00 56.01 55.67 3df0 n LEU 248 Cb 0.12 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 3df0 n LEU 248 CO 0.00 0.00 1.94 -0.67 -1.33 0.00 0.00 177.39 177.33 3df0 n ASP 249 N -0.77 4.54 0.03 -1.43 2.03 0.03 -4.38 116.55 116.61 3df0 n ASP 249 Ca 0.00 -2.25 -0.07 0.00 0.52 0.00 0.00 54.79 52.99 3df0 n ASP 249 Cb 0.00 -1.05 0.10 0.00 -0.72 0.00 0.00 41.12 39.45 3df0 n ASP 249 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3df0 h LYS 250 N 5.22 0.45 0.00 -0.67 1.57 -1.88 -1.92 116.57 119.35 3df0 h LYS 250 Ca 0.36 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3df0 h LYS 250 Cb 0.52 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3df0 h LYS 250 CO 0.98 0.86 0.00 0.27 -0.57 0.00 0.00 179.45 180.99 3df0 n ASN 251 N -3.96 0.22 0.00 0.86 0.23 -1.26 -4.85 115.26 106.50 3df0 n ASN 251 Ca -0.03 0.58 0.00 0.00 -0.53 0.00 0.00 54.58 54.60 3df0 n ASN 251 Cb 0.58 -0.61 0.00 0.00 -2.08 0.00 0.00 39.78 37.66 3df0 n ASN 251 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3df0 n GLY 252 N -0.67 0.84 0.00 4.83 0.00 -0.72 -4.78 105.19 104.68 3df0 n GLY 252 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 3df0 n GLY 252 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3df0 n THR 253 N -2.00 0.06 -2.54 2.61 -2.24 -1.26 -4.78 114.28 104.12 3df0 n THR 253 Ca 0.00 0.02 -0.16 0.00 -2.27 0.00 0.00 64.05 61.64 3df0 n THR 253 Cb 0.00 -0.79 0.01 0.00 -2.10 0.00 0.00 70.33 67.45 3df0 n THR 253 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3df0 n GLY 254 N -0.11 -0.24 3.09 3.38 0.00 -1.26 -5.00 105.19 105.04 3df0 n GLY 254 Ca 0.10 -0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 3df0 n GLY 254 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3df0 s GLN 255 N -5.07 0.44 0.16 1.61 0.74 -1.26 -5.14 119.66 111.14 3df0 s GLN 255 Ca 0.11 0.82 0.06 0.00 0.05 0.00 0.00 55.36 56.40 3df0 s GLN 255 Cb -0.05 0.07 -0.04 0.00 1.10 0.00 0.00 33.01 34.10 3df0 s GLN 255 CO 0.13 -0.56 0.05 0.96 -0.55 0.00 0.00 175.29 175.32 3df0 s ILE 256 N 2.69 4.04 0.05 -2.34 -4.36 -1.26 -4.90 121.20 115.11 3df0 s ILE 256 Ca 0.13 -1.23 0.09 0.00 -0.26 0.00 0.00 60.65 59.38 3df0 s ILE 256 Cb -0.15 -3.03 -0.03 0.00 1.25 0.00 0.00 42.46 40.51 3df0 s ILE 256 CO -0.17 -0.07 -0.24 0.00 0.24 0.00 0.00 174.94 174.69 3df0 s GLN 257 N -2.89 1.86 0.09 0.37 -2.07 -1.26 -5.13 119.66 110.64 3df0 s GLN 257 Ca 0.28 -1.09 -0.01 0.00 -1.82 0.00 0.00 55.36 52.73 3df0 s GLN 257 Cb -0.10 -2.04 -0.04 0.00 -1.09 0.00 0.00 33.01 29.74 3df0 s GLN 257 CO 0.20 0.52 0.01 0.14 -1.32 0.00 0.00 175.29 174.84 3df0 s VAL 258 N -0.85 0.20 0.23 3.63 -7.23 -1.26 -5.13 120.40 109.99 3df0 s VAL 258 Ca 0.13 -1.87 0.02 0.00 -1.81 0.00 0.00 61.98 58.45 3df0 s VAL 258 Cb -0.10 -1.78 0.02 0.00 0.56 0.00 0.00 36.38 35.07 3df0 s VAL 258 CO 0.03 -0.74 0.13 -0.46 -0.31 0.00 0.00 175.10 173.75 3df0 n ASN 259 N 0.00 1.99 0.20 4.85 0.23 -1.26 -4.93 115.26 116.34 3df0 n ASN 259 Ca -0.10 -1.86 -0.15 0.00 -0.53 0.00 0.00 54.58 51.94 3df0 n ASN 259 Cb 0.62 0.03 -0.07 0.00 -2.08 0.00 0.00 39.78 38.28 3df0 n ASN 259 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 3df0 h ILE 260 N 0.72 0.27 0.00 1.53 6.09 -2.02 -0.83 117.51 123.26 3df0 h ILE 260 Ca -0.16 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.33 3df0 h ILE 260 Cb 0.55 0.27 0.00 0.00 0.47 0.00 0.00 36.82 38.11 3df0 h ILE 260 CO 0.26 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.34 3df0 n GLN 261 N -5.46 0.00 -0.41 2.19 1.13 -1.26 -1.59 117.38 111.98 3df0 n GLN 261 Ca -0.09 0.45 0.35 0.00 -1.94 0.00 0.00 57.00 55.77 3df0 n GLN 261 Cb 0.36 -0.98 0.62 0.00 0.11 0.00 0.00 30.24 30.35 3df0 n GLN 261 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3df0 h GLU 262 N 0.00 0.07 0.51 -1.09 5.08 -1.90 0.21 114.58 117.45 3df0 h GLU 262 Ca 0.00 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3df0 h GLU 262 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3df0 h GLU 262 CO 0.00 0.04 -0.24 2.35 -1.00 0.00 0.00 179.01 180.16 3df0 h TRP 263 N 0.07 -0.63 0.20 4.33 -0.00 -0.71 -1.62 115.95 117.58 3df0 h TRP 263 Ca 0.84 -0.01 0.01 0.00 -0.00 0.00 0.00 58.89 59.72 3df0 h TRP 263 Cb 2.45 0.21 -0.04 0.00 -0.00 0.00 0.00 29.16 31.78 3df0 h TRP 263 CO -0.01 -0.31 -0.50 -0.07 -0.00 0.00 0.00 178.44 177.56 3df0 h LEU 264 N -0.95 -1.47 -0.96 0.65 4.07 0.01 -1.82 115.31 114.82 3df0 h LEU 264 Ca -0.07 0.15 0.29 0.00 0.08 0.00 0.00 57.88 58.33 3df0 h LEU 264 Cb 0.61 0.53 -0.17 0.00 1.08 0.00 0.00 40.66 42.71 3df0 h LEU 264 CO 0.11 -0.56 0.16 -0.61 -1.08 0.00 0.00 178.44 176.47 3df0 h GLN 265 N -0.77 0.05 0.00 1.13 5.75 -1.22 0.81 115.11 120.85 3df0 h GLN 265 Ca -0.02 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3df0 h GLN 265 Cb 0.75 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.29 3df0 h GLN 265 CO -0.23 0.03 -0.59 1.28 -2.65 0.00 0.00 178.83 176.67 3df0 n LEU 266 N -5.40 0.70 -0.00 -2.39 7.99 -0.62 -4.32 117.00 112.98 3df0 n LEU 266 Ca 0.25 0.24 0.01 0.00 -0.01 0.00 0.00 56.01 56.50 3df0 n LEU 266 Cb 0.83 -0.19 -0.01 0.00 -0.11 0.00 0.00 43.42 43.94 3df0 n LEU 266 CO -0.03 -0.06 -0.46 0.35 -1.51 0.00 0.00 177.39 175.68 3df0 n THR 267 N -2.11 0.00 -0.53 -5.08 -2.24 0.03 -4.61 114.28 99.74 3df0 n THR 267 Ca 0.03 -0.07 -0.06 0.00 -2.27 0.00 0.00 64.05 61.69 3df0 n THR 267 Cb 0.44 0.53 -0.08 0.00 -2.10 0.00 0.00 70.33 69.11 3df0 n THR 267 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3df0 n MET 268 N -1.49 1.07 0.00 -0.78 2.81 0.26 -3.35 117.12 115.63 3df0 n MET 268 Ca -0.00 -0.48 0.00 0.00 -1.81 0.00 0.00 57.70 55.41 3df0 n MET 268 Cb 0.03 -1.69 0.00 0.00 -0.71 0.00 0.00 33.22 30.85 3df0 n MET 268 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3df0 n TYR 269 N 2.53 0.00 0.00 2.03 0.53 -1.26 -4.99 117.16 115.99 3df0 n TYR 269 Ca 0.21 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.09 3df0 n TYR 269 Cb 0.49 0.17 0.00 0.00 -1.03 0.00 0.00 39.34 38.98 3df0 n TYR 269 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27