#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aj5 h GLU 99 N 0.00 0.89 -0.69 5.31 5.08 -2.05 -3.17 114.58 119.94 1aj5 h GLU 99 Ca 0.00 -0.50 0.11 0.00 -1.00 0.00 0.00 59.36 57.96 1aj5 h GLU 99 Cb 0.00 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.21 1aj5 h GLU 99 CO 0.00 1.15 0.30 0.93 -1.00 0.00 0.00 179.01 180.39 1aj5 h GLU 100 N 0.68 0.48 -0.73 2.33 5.08 -2.01 0.95 114.58 121.36 1aj5 h GLU 100 Ca 0.04 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1aj5 h GLU 100 Cb 1.03 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.11 1aj5 h GLU 100 CO 0.10 0.32 0.42 0.00 -1.00 0.00 0.00 179.01 178.85 1aj5 h ARG 101 N 0.50 0.73 -0.20 2.33 2.47 -1.98 0.36 114.38 118.59 1aj5 h ARG 101 Ca 0.36 -0.04 -0.16 0.00 -1.26 0.00 0.00 59.98 58.87 1aj5 h ARG 101 Cb 0.45 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 1aj5 h ARG 101 CO -0.32 0.48 -0.55 1.96 0.56 0.00 0.00 179.97 182.10 1aj5 h GLN 102 N 0.75 0.59 0.00 0.04 4.20 -1.12 -2.75 115.11 116.83 1aj5 h GLN 102 Ca 0.33 -0.37 -0.12 0.00 0.06 0.00 0.00 58.65 58.55 1aj5 h GLN 102 Cb 0.22 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1aj5 h GLN 102 CO -0.19 0.99 -0.57 0.74 -0.67 0.00 0.00 178.83 179.13 1aj5 h PHE 103 N 0.45 0.00 -0.73 2.96 0.04 -0.19 -2.85 116.94 116.63 1aj5 h PHE 103 Ca 0.01 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1aj5 h PHE 103 Cb 1.10 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.22 1aj5 h PHE 103 CO 0.05 0.57 0.36 -0.09 -0.60 0.00 0.00 178.31 178.59 1aj5 h ARG 104 N 0.00 1.04 -0.79 1.51 2.43 -0.14 -1.73 114.38 116.69 1aj5 h ARG 104 Ca -0.01 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 1aj5 h ARG 104 Cb 1.02 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.35 1aj5 h ARG 104 CO 0.07 0.81 0.39 -0.22 -1.51 0.00 0.00 179.97 179.51 1aj5 h LYS 105 N 1.01 1.13 -0.41 0.20 3.64 -1.27 -1.29 116.57 119.58 1aj5 h LYS 105 Ca 0.25 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 1aj5 h LYS 105 Cb 0.11 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1aj5 h LYS 105 CO -0.03 0.86 -0.03 -0.07 -2.27 0.00 0.00 179.45 177.90 1aj5 h LEU 106 N 1.12 0.73 -0.41 5.20 4.07 -1.22 -1.52 115.31 123.28 1aj5 h LEU 106 Ca 0.27 -0.33 -0.07 0.00 0.08 0.00 0.00 57.88 57.83 1aj5 h LEU 106 Cb 0.09 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 1aj5 h LEU 106 CO -0.04 0.88 -0.03 -0.26 -1.08 0.00 0.00 178.44 177.91 1aj5 h PHE 107 N 0.56 0.82 -0.23 1.13 -1.00 -1.10 -0.19 116.94 116.92 1aj5 h PHE 107 Ca 0.11 -0.15 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1aj5 h PHE 107 Cb 0.53 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.87 1aj5 h PHE 107 CO 0.04 0.83 0.15 0.28 -1.61 0.00 0.00 178.31 178.01 1aj5 h VAL 108 N 0.57 1.06 -0.52 -0.55 2.07 -1.18 0.43 116.25 118.14 1aj5 h VAL 108 Ca 0.11 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 67.43 1aj5 h VAL 108 Cb 0.53 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1aj5 h VAL 108 CO 0.03 0.06 0.00 1.56 0.02 0.00 0.00 177.57 179.24 1aj5 h GLN 109 N 0.31 0.88 0.16 1.57 4.20 -1.20 0.61 115.11 121.64 1aj5 h GLN 109 Ca 0.09 -0.25 -0.29 0.00 0.06 0.00 0.00 58.65 58.26 1aj5 h GLN 109 Cb -0.03 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 27.67 1aj5 h GLN 109 CO -0.02 0.87 -1.29 -0.07 -0.67 0.00 0.00 178.83 177.65 1aj5 h LEU 110 N 0.81 0.55 -1.09 1.46 3.38 -0.80 -3.41 115.31 116.21 1aj5 h LEU 110 Ca 0.15 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1aj5 h LEU 110 Cb 0.48 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1aj5 h LEU 110 CO 0.02 1.45 0.00 0.00 0.09 0.00 0.00 178.44 180.00 1aj5 n ALA 111 N -2.58 1.26 -0.79 1.53 0.00 0.15 -5.05 120.51 115.03 1aj5 n ALA 111 Ca -0.11 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1aj5 n ALA 111 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.49 1aj5 n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aj5 n GLY 112 N -0.10 2.64 0.32 0.00 0.00 0.21 -2.20 105.19 106.06 1aj5 n GLY 112 Ca 0.00 -0.34 0.17 0.00 0.00 0.00 0.00 46.02 45.84 1aj5 n GLY 112 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1aj5 h ASP 113 N 7.82 0.00 -0.63 1.61 3.32 -1.91 -2.41 116.42 124.22 1aj5 h ASP 113 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1aj5 h ASP 113 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1aj5 h ASP 113 CO 0.00 0.00 0.22 0.44 -1.72 0.00 0.00 179.24 178.18 1aj5 h ASP 114 N 0.00 0.92 -6.00 6.45 3.32 -1.82 -3.47 116.42 115.82 1aj5 h ASP 114 Ca 0.03 -0.15 -0.40 0.00 0.02 0.00 0.00 57.03 56.53 1aj5 h ASP 114 Cb 0.19 -0.24 0.08 0.00 0.22 0.00 0.00 39.33 39.58 1aj5 h ASP 114 CO -0.00 0.85 -0.83 0.23 -1.72 0.00 0.00 179.24 177.78 1aj5 n MET 115 N -4.28 -4.92 -3.83 3.56 2.81 -0.91 -4.88 117.12 104.67 1aj5 n MET 115 Ca 0.05 0.66 -0.12 0.00 -1.81 0.00 0.00 57.70 56.48 1aj5 n MET 115 Cb 0.21 -5.27 -0.13 0.00 -0.71 0.00 0.00 33.22 27.31 1aj5 n MET 115 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1aj5 s GLU 116 N -5.82 0.10 0.31 0.03 2.02 -1.25 -1.56 118.70 112.52 1aj5 s GLU 116 Ca 0.04 0.15 0.11 0.00 0.02 0.00 0.00 54.97 55.29 1aj5 s GLU 116 Cb -0.01 0.02 -0.05 0.00 0.10 0.00 0.00 34.13 34.18 1aj5 s GLU 116 CO 0.80 -0.03 -0.13 0.14 0.02 0.00 0.00 175.26 176.05 1aj5 s VAL 117 N 0.20 2.48 0.69 2.63 -7.23 -0.04 -4.58 120.40 114.56 1aj5 s VAL 117 Ca -0.01 -2.27 -0.01 0.00 -1.81 0.00 0.00 61.98 57.87 1aj5 s VAL 117 Cb -0.02 -2.50 0.10 0.00 0.56 0.00 0.00 36.38 34.52 1aj5 s VAL 117 CO -0.01 -0.31 0.96 -0.94 -0.31 0.00 0.00 175.10 174.49 1aj5 s SER 118 N -3.57 4.54 0.18 4.85 1.04 -1.26 -0.70 113.70 118.77 1aj5 s SER 118 Ca 0.31 -0.19 -0.14 0.00 0.48 0.00 0.00 55.95 56.41 1aj5 s SER 118 Cb -0.02 -0.30 0.07 0.00 0.10 0.00 0.00 66.02 65.87 1aj5 s SER 118 CO 0.16 -1.72 1.83 0.00 0.98 0.00 0.00 173.24 174.50 1aj5 h ALA 119 N -0.45 0.71 -0.70 5.32 0.00 -1.86 0.13 119.26 122.40 1aj5 h ALA 119 Ca -0.39 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1aj5 h ALA 119 Cb 1.28 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1aj5 h ALA 119 CO 0.44 0.16 0.31 1.15 0.00 0.00 0.00 179.25 181.32 1aj5 h THR 120 N 0.75 1.24 -0.54 0.00 2.02 -1.92 0.19 112.91 114.65 1aj5 h THR 120 Ca 0.20 -0.70 -0.10 0.00 0.77 0.00 0.00 66.41 66.58 1aj5 h THR 120 Cb -0.07 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 1aj5 h THR 120 CO -0.04 0.29 -0.05 -0.33 0.37 0.00 0.00 175.52 175.76 1aj5 h GLU 121 N 0.99 0.98 -0.10 6.66 5.08 -1.86 -2.39 114.58 123.95 1aj5 h GLU 121 Ca 0.24 -0.34 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1aj5 h GLU 121 Cb 0.16 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1aj5 h GLU 121 CO -0.03 1.01 -0.05 1.25 -1.00 0.00 0.00 179.01 180.20 1aj5 h LEU 122 N 0.86 -0.16 -1.13 1.33 5.85 0.10 -0.40 115.31 121.77 1aj5 h LEU 122 Ca 0.15 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.97 1aj5 h LEU 122 Cb 0.60 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.66 1aj5 h LEU 122 CO 0.04 -0.07 0.60 -0.03 -0.34 0.00 0.00 178.44 178.64 1aj5 h MET 123 N -0.04 1.02 -0.22 1.25 4.05 -0.52 -0.12 114.93 120.35 1aj5 h MET 123 Ca 0.06 -0.06 -0.14 0.00 -0.28 0.00 0.00 59.70 59.27 1aj5 h MET 123 Cb 0.12 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 30.69 1aj5 h MET 123 CO -0.12 0.68 -0.42 -0.91 0.23 0.00 0.00 176.91 176.36 1aj5 h ASN 124 N 1.05 0.76 -0.21 1.39 2.35 -0.92 -2.01 115.58 117.99 1aj5 h ASN 124 Ca 0.40 -0.54 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 1aj5 h ASN 124 Cb 0.19 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1aj5 h ASN 124 CO -0.15 1.15 0.04 0.40 -1.65 0.00 0.00 177.43 177.23 1aj5 h ILE 125 N 0.39 1.21 -0.23 2.81 2.04 -0.47 -2.66 117.51 120.60 1aj5 h ILE 125 Ca 0.01 -0.70 -0.08 0.00 1.00 0.00 0.00 64.86 65.09 1aj5 h ILE 125 Cb 1.02 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 38.37 1aj5 h ILE 125 CO 0.09 0.22 -0.16 -0.07 0.00 0.00 0.00 178.15 178.23 1aj5 h LEU 126 N 0.15 0.54 -1.27 1.44 3.38 -1.11 -3.26 115.31 115.17 1aj5 h LEU 126 Ca 0.06 -0.44 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 1aj5 h LEU 126 Cb 0.29 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1aj5 h LEU 126 CO 0.00 0.87 -0.13 0.78 0.09 0.00 0.00 178.44 180.05 1aj5 h ASN 127 N 0.21 0.33 -0.84 -0.43 2.35 -1.41 -0.07 115.58 115.72 1aj5 h ASN 127 Ca 0.04 -0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1aj5 h ASN 127 Cb 0.69 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.93 1aj5 h ASN 127 CO 0.04 0.49 0.56 0.11 -1.65 0.00 0.00 177.43 176.98 1aj5 h LYS 128 N 0.32 1.10 0.08 0.81 1.79 -1.51 0.19 116.57 119.35 1aj5 h LYS 128 Ca 0.06 -0.07 -0.19 0.00 -2.18 0.00 0.00 60.65 58.28 1aj5 h LYS 128 Cb 0.43 -0.25 -0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1aj5 h LYS 128 CO 0.02 0.73 -0.94 0.28 -1.08 0.00 0.00 179.45 178.47 1aj5 h VAL 129 N 1.13 1.30 0.00 0.50 2.07 -1.53 -3.31 116.25 116.41 1aj5 h VAL 129 Ca 0.31 -2.39 -0.11 0.00 0.82 0.00 0.00 66.70 65.33 1aj5 h VAL 129 Cb -0.12 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 1aj5 h VAL 129 CO -0.07 0.63 -0.54 -0.37 0.02 0.00 0.00 177.57 177.24 1aj5 h VAL 130 N -0.58 1.06 0.00 2.57 -1.51 -0.99 -3.26 116.25 113.53 1aj5 h VAL 130 Ca -0.21 -2.10 0.00 0.00 -1.23 0.00 0.00 66.70 63.16 1aj5 h VAL 130 Cb 1.50 2.25 0.00 0.00 -2.13 0.00 0.00 31.29 32.91 1aj5 h VAL 130 CO 0.03 0.53 -0.61 0.71 -1.23 0.00 0.00 177.57 177.00 1aj5 h THR 131 N 0.00 0.00 -0.23 7.19 1.35 -1.15 -3.32 112.91 116.75 1aj5 h THR 131 Ca -0.01 -0.67 -0.14 0.00 -0.55 0.00 0.00 66.41 65.05 1aj5 h THR 131 Cb 1.21 1.30 -0.07 0.00 -1.73 0.00 0.00 68.15 68.87 1aj5 h THR 131 CO 0.07 0.00 0.18 0.54 -0.25 0.00 0.00 175.52 176.06 1aj5 n ARG 132 N -2.36 1.34 -3.76 4.72 1.74 -1.23 -4.63 116.66 112.48 1aj5 n ARG 132 Ca 0.03 -0.73 -0.30 0.00 -0.77 0.00 0.00 57.85 56.08 1aj5 n ARG 132 Cb 0.48 -1.29 -0.14 0.00 -1.02 0.00 0.00 32.46 30.49 1aj5 n ARG 132 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1aj5 s HIS 133 N -0.83 2.10 -0.37 -1.55 3.76 -1.25 -4.94 115.29 112.21 1aj5 s HIS 133 Ca 0.14 -2.26 0.22 0.00 -0.15 0.00 0.00 55.06 53.01 1aj5 s HIS 133 Cb 0.11 -1.96 1.04 0.00 1.11 0.00 0.00 32.58 32.88 1aj5 s HIS 133 CO 0.01 -0.83 1.66 -0.35 -0.85 0.00 0.00 174.74 174.38 1aj5 n PRO 134 N 4.08 0.16 0.22 8.40 -0.04 -1.26 -0.89 135.00 145.67 1aj5 n PRO 134 Ca 0.04 0.53 0.08 0.00 -0.04 0.00 0.00 63.50 64.11 1aj5 n PRO 134 Cb 0.38 -1.90 0.53 0.00 -0.04 0.00 0.00 33.50 32.47 1aj5 n PRO 134 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1aj5 h ASP 135 N 0.00 0.00 -4.33 3.54 1.82 -1.97 -3.43 116.42 112.05 1aj5 h ASP 135 Ca 0.00 0.00 -0.70 0.00 -0.39 0.00 0.00 57.03 55.94 1aj5 h ASP 135 Cb 0.17 0.00 -0.27 0.00 0.68 0.00 0.00 39.33 39.92 1aj5 h ASP 135 CO 0.00 0.24 -0.87 -0.22 -1.61 0.00 0.00 179.24 176.78 1aj5 s LEU 136 N -7.53 2.20 -0.37 2.28 2.96 -0.07 -4.96 118.68 113.19 1aj5 s LEU 136 Ca -0.02 -0.54 -0.10 0.00 -0.22 0.00 0.00 54.13 53.24 1aj5 s LEU 136 Cb 0.13 -1.33 0.03 0.00 0.50 0.00 0.00 46.19 45.52 1aj5 s LEU 136 CO 0.65 0.27 0.20 -0.54 -1.32 0.00 0.00 176.35 175.61 1aj5 s LYS 137 N -1.12 2.79 -0.17 1.98 -0.14 -1.26 -4.81 119.74 117.01 1aj5 s LYS 137 Ca 0.12 -1.10 -0.31 0.00 -1.36 0.00 0.00 55.97 53.32 1aj5 s LYS 137 Cb -0.10 -3.70 0.14 0.00 -1.68 0.00 0.00 37.83 32.48 1aj5 s LYS 137 CO 0.02 -0.70 1.10 -0.08 -0.76 0.00 0.00 175.35 174.93 1aj5 s THR 138 N 1.54 0.00 -0.98 2.17 -1.32 -1.26 -4.59 115.64 111.19 1aj5 s THR 138 Ca 0.02 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.65 1aj5 s THR 138 Cb -0.19 -1.00 0.66 0.00 -1.51 0.00 0.00 72.50 70.46 1aj5 s THR 138 CO 0.06 0.00 1.55 0.47 -2.21 0.00 0.00 174.62 174.49 1aj5 n ASP 139 N 0.39 4.50 0.00 8.08 8.00 -1.26 -4.88 116.55 131.37 1aj5 n ASP 139 Ca -0.06 -2.50 0.00 0.00 0.71 0.00 0.00 54.79 52.94 1aj5 n ASP 139 Cb 0.59 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1aj5 n ASP 139 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1aj5 n GLY 140 N 0.92 -1.51 3.74 0.44 0.00 -1.26 -4.89 105.19 102.64 1aj5 n GLY 140 Ca 0.23 -1.55 -0.35 0.00 0.00 0.00 0.00 46.02 44.35 1aj5 n GLY 140 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aj5 s PHE 141 N 0.00 3.27 0.78 1.61 0.08 -1.26 -4.54 117.98 117.92 1aj5 s PHE 141 Ca 0.00 0.25 -0.10 0.00 0.12 0.00 0.00 56.93 57.20 1aj5 s PHE 141 Cb 0.00 -1.80 0.09 0.00 -0.57 0.00 0.00 43.02 40.74 1aj5 s PHE 141 CO 0.00 0.54 1.13 0.20 -0.10 0.00 0.00 175.22 176.98 1aj5 s GLY 142 N -1.16 1.65 0.38 4.36 0.00 -1.26 -4.89 107.32 106.40 1aj5 s GLY 142 Ca 0.16 -0.85 0.08 0.00 0.00 0.00 0.00 44.72 44.11 1aj5 s GLY 142 CO 0.06 -0.36 1.94 1.19 0.00 0.00 0.00 173.10 175.93 1aj5 h ILE 143 N -0.93 1.16 -0.41 0.90 6.09 -1.98 -0.98 117.51 121.36 1aj5 h ILE 143 Ca -0.45 -0.64 -0.15 0.00 -1.37 0.00 0.00 64.86 62.25 1aj5 h ILE 143 Cb 1.31 0.99 -0.01 0.00 0.47 0.00 0.00 36.82 39.58 1aj5 h ILE 143 CO 0.60 0.21 -0.33 -0.78 -3.07 0.00 0.00 178.15 174.79 1aj5 h ASP 144 N 0.36 1.00 -0.85 2.19 3.58 -1.99 0.28 116.42 120.99 1aj5 h ASP 144 Ca 0.08 -0.44 -0.02 0.00 0.42 0.00 0.00 57.03 57.07 1aj5 h ASP 144 Cb 0.26 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 40.99 1aj5 h ASP 144 CO 0.01 1.23 0.46 0.74 -2.88 0.00 0.00 179.24 178.80 1aj5 h THR 145 N 0.78 1.25 -0.47 2.25 2.02 -1.79 -1.92 112.91 115.04 1aj5 h THR 145 Ca 0.08 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.60 1aj5 h THR 145 Cb 0.92 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1aj5 h THR 145 CO 0.09 0.28 0.17 0.00 0.37 0.00 0.00 175.52 176.42 1aj5 h ARG 147 N 0.61 1.04 -0.61 0.00 3.08 -0.13 -1.47 114.38 116.90 1aj5 h ARG 147 Ca 0.15 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1aj5 h ARG 147 Cb 0.23 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 1aj5 h ARG 147 CO -0.01 0.81 0.30 0.77 -1.07 0.00 0.00 179.97 180.78 1aj5 h SER 148 N 1.01 0.79 -0.54 7.04 0.02 -1.09 0.99 113.55 121.77 1aj5 h SER 148 Ca 0.25 -0.12 0.03 0.00 -0.84 0.00 0.00 61.79 61.10 1aj5 h SER 148 Cb 0.12 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 1aj5 h SER 148 CO -0.03 0.69 0.32 0.24 -1.14 0.00 0.00 176.83 176.91 1aj5 h MET 149 N 0.83 0.61 -0.22 3.45 2.86 -0.72 0.17 114.93 121.92 1aj5 h MET 149 Ca 0.21 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1aj5 h MET 149 Cb 0.10 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1aj5 h MET 149 CO -0.03 0.41 0.09 0.28 1.06 0.00 0.00 176.91 178.72 1aj5 h VAL 150 N 0.63 1.17 -0.09 -2.22 2.07 -0.84 -2.71 116.25 114.27 1aj5 h VAL 150 Ca 0.22 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1aj5 h VAL 150 Cb 0.04 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1aj5 h VAL 150 CO -0.11 0.16 0.04 0.00 0.02 0.00 0.00 177.57 177.69 1aj5 h ALA 151 N 0.93 0.11 -0.49 1.67 0.00 -0.26 -0.22 119.26 121.00 1aj5 h ALA 151 Ca 0.07 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1aj5 h ALA 151 Cb 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1aj5 h ALA 151 CO -0.01 -0.35 0.03 -0.39 0.00 0.00 0.00 179.25 178.54 1aj5 h VAL 152 N 0.03 1.24 0.00 0.00 -1.51 -0.71 -2.91 116.25 112.39 1aj5 h VAL 152 Ca 0.03 -0.95 0.00 0.00 -1.23 0.00 0.00 66.70 64.55 1aj5 h VAL 152 Cb 0.09 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 30.08 1aj5 h VAL 152 CO -0.00 0.34 -0.28 0.24 -1.23 0.00 0.00 177.57 176.63 1aj5 h MET 153 N 0.75 0.00 -5.23 5.19 2.86 -1.39 -3.44 114.93 113.68 1aj5 h MET 153 Ca 0.15 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.59 1aj5 h MET 153 Cb 0.41 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1aj5 h MET 153 CO 0.01 0.00 0.62 -3.47 1.06 0.00 0.00 176.91 175.14 1aj5 n ASP 154 N -2.34 2.14 -0.02 1.22 2.03 -0.10 -4.82 116.55 114.65 1aj5 n ASP 154 Ca 0.04 -2.59 -0.15 0.00 0.52 0.00 0.00 54.79 52.61 1aj5 n ASP 154 Cb 0.45 -1.67 -0.09 0.00 -0.72 0.00 0.00 41.12 39.09 1aj5 n ASP 154 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1aj5 h SER 155 N 10.59 -1.69 -0.44 1.67 0.02 -1.87 -2.21 113.55 119.61 1aj5 h SER 155 Ca 0.12 0.21 -0.11 0.00 -0.84 0.00 0.00 61.79 61.17 1aj5 h SER 155 Cb 0.95 0.67 -0.06 0.00 0.14 0.00 0.00 62.40 64.09 1aj5 h SER 155 CO 1.18 -0.47 0.14 -0.90 -1.14 0.00 0.00 176.83 175.63 1aj5 n ASP 156 N -5.43 3.76 -3.65 3.07 5.68 -1.26 -4.95 116.55 113.77 1aj5 n ASP 156 Ca -0.06 -2.71 -0.24 0.00 -0.50 0.00 0.00 54.79 51.28 1aj5 n ASP 156 Cb 0.38 -0.65 0.00 0.00 -1.14 0.00 0.00 41.12 39.71 1aj5 n ASP 156 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1aj5 n THR 157 N 0.08 -2.21 0.84 2.12 -2.24 -0.83 -4.87 114.28 107.17 1aj5 n THR 157 Ca 0.24 -0.15 0.09 0.00 -2.27 0.00 0.00 64.05 61.96 1aj5 n THR 157 Cb 0.97 -1.95 0.01 0.00 -2.10 0.00 0.00 70.33 67.26 1aj5 n THR 157 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1aj5 n THR 158 N -2.74 0.00 -0.80 4.28 -2.24 -1.26 -4.96 114.28 106.56 1aj5 n THR 158 Ca -0.19 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1aj5 n THR 158 Cb 0.48 1.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.97 1aj5 n THR 158 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aj5 n GLY 159 N 1.25 0.89 3.19 3.38 0.00 -1.26 -5.02 105.19 107.62 1aj5 n GLY 159 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 1aj5 n GLY 159 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aj5 s LYS 160 N -0.20 0.96 -0.26 1.61 1.02 -1.26 -4.79 119.74 116.82 1aj5 s LYS 160 Ca 0.00 -1.45 -0.13 0.00 0.02 0.00 0.00 55.97 54.41 1aj5 s LYS 160 Cb 0.00 -0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.21 1aj5 s LYS 160 CO 0.00 -0.15 0.29 -1.17 -0.92 0.00 0.00 175.35 173.39 1aj5 s LEU 161 N -3.09 4.06 0.78 3.17 2.96 0.12 -4.70 118.68 121.98 1aj5 s LEU 161 Ca 0.21 0.20 -0.11 0.00 -0.22 0.00 0.00 54.13 54.20 1aj5 s LEU 161 Cb 0.07 -2.29 0.06 0.00 0.50 0.00 0.00 46.19 44.52 1aj5 s LEU 161 CO 0.01 -0.09 1.10 -0.83 -1.32 0.00 0.00 176.35 175.21 1aj5 s GLY 162 N 1.51 1.63 0.08 7.98 0.00 -1.26 -0.86 107.32 116.39 1aj5 s GLY 162 Ca 0.12 -0.23 -0.18 0.00 0.00 0.00 0.00 44.72 44.43 1aj5 s GLY 162 CO 0.09 0.18 1.47 -2.75 0.00 0.00 0.00 173.10 172.09 1aj5 h PHE 163 N -0.99 0.54 -0.67 1.90 3.57 -1.63 -0.91 116.94 118.76 1aj5 h PHE 163 Ca -0.46 -0.12 0.04 0.00 3.53 0.00 0.00 57.97 60.96 1aj5 h PHE 163 Cb 1.26 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.84 1aj5 h PHE 163 CO 0.47 0.71 0.44 0.93 -2.23 0.00 0.00 178.31 178.64 1aj5 h GLU 164 N 0.22 0.74 -0.09 1.11 4.39 -1.94 0.43 114.58 119.44 1aj5 h GLU 164 Ca 0.06 -0.04 -0.23 0.00 0.34 0.00 0.00 59.36 59.49 1aj5 h GLU 164 Cb 0.55 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1aj5 h GLU 164 CO 0.03 0.49 -0.85 0.93 -1.16 0.00 0.00 179.01 178.45 1aj5 h GLU 165 N 0.77 0.67 -0.63 2.33 5.08 -1.91 -2.96 114.58 117.93 1aj5 h GLU 165 Ca 0.27 -0.60 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 1aj5 h GLU 165 Cb 0.12 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1aj5 h GLU 165 CO -0.08 1.21 0.30 0.35 -1.00 0.00 0.00 179.01 179.80 1aj5 h PHE 166 N 0.43 0.88 -0.74 4.33 3.57 -0.38 -1.69 116.94 123.35 1aj5 h PHE 166 Ca -0.07 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.35 1aj5 h PHE 166 Cb 1.48 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.91 1aj5 h PHE 166 CO 0.08 0.64 0.27 0.87 -2.23 0.00 0.00 178.31 177.94 1aj5 h LYS 167 N 0.89 1.11 -0.06 1.11 1.57 -0.78 0.19 116.57 120.60 1aj5 h LYS 167 Ca 0.22 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1aj5 h LYS 167 Cb 0.09 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 1aj5 h LYS 167 CO -0.03 0.91 -0.01 -0.92 -0.57 0.00 0.00 179.45 178.84 1aj5 h TYR 168 N 1.08 0.12 -0.24 -1.35 3.20 -1.34 -0.72 116.97 117.72 1aj5 h TYR 168 Ca 0.24 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.11 1aj5 h TYR 168 Cb 0.23 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1aj5 h TYR 168 CO 0.02 0.42 0.09 1.25 -1.64 0.00 0.00 178.16 178.31 1aj5 h LEU 169 N -0.22 0.12 -0.93 2.82 5.85 -1.15 -1.12 115.31 120.67 1aj5 h LEU 169 Ca 0.01 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1aj5 h LEU 169 Cb 0.38 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1aj5 h LEU 169 CO 0.00 0.10 0.09 -0.25 -0.34 0.00 0.00 178.44 178.04 1aj5 h TRP 170 N 0.21 0.91 -0.52 1.25 2.91 -0.62 0.62 115.95 120.71 1aj5 h TRP 170 Ca 0.10 -0.10 0.02 0.00 1.13 0.00 0.00 58.89 60.03 1aj5 h TRP 170 Cb 0.06 -0.26 -0.03 0.00 -0.51 0.00 0.00 29.16 28.42 1aj5 h TRP 170 CO -0.11 0.79 0.33 -0.97 -1.03 0.00 0.00 178.44 177.44 1aj5 h ASN 171 N 0.83 0.54 -0.07 2.65 -0.00 -0.57 0.16 115.58 119.11 1aj5 h ASN 171 Ca 0.17 -0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.46 1aj5 h ASN 171 Cb 0.37 -0.12 -0.00 0.00 -0.00 0.00 0.00 38.32 38.57 1aj5 h ASN 171 CO 0.01 0.38 0.02 0.78 -0.00 0.00 0.00 177.43 178.62 1aj5 h ASN 172 N 0.65 0.10 -0.41 1.15 2.35 -0.77 -2.34 115.58 116.31 1aj5 h ASN 172 Ca 0.20 -0.20 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1aj5 h ASN 172 Cb -0.02 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.28 1aj5 h ASN 172 CO -0.08 0.28 0.11 0.40 -1.65 0.00 0.00 177.43 176.49 1aj5 h ILE 173 N -0.08 0.82 -0.54 2.81 2.04 -0.40 0.58 117.51 122.73 1aj5 h ILE 173 Ca 0.02 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 65.87 1aj5 h ILE 173 Cb 0.21 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 1aj5 h ILE 173 CO -0.00 0.05 0.22 0.50 0.00 0.00 0.00 178.15 178.91 1aj5 h LYS 174 N 0.25 0.40 0.73 2.37 1.63 -0.60 0.14 116.57 121.49 1aj5 h LYS 174 Ca 0.20 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.94 1aj5 h LYS 174 Cb 0.22 -0.09 0.01 0.00 -0.60 0.00 0.00 32.23 31.76 1aj5 h LYS 174 CO -0.23 0.27 -0.35 -0.22 -3.45 0.00 0.00 179.45 175.46 1aj5 h LYS 175 N 0.42 -0.94 -0.08 1.90 3.64 -0.76 -2.87 116.57 117.86 1aj5 h LYS 175 Ca 0.26 0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.73 1aj5 h LYS 175 Cb 0.27 0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1aj5 h LYS 175 CO -0.24 -0.61 0.06 -1.49 -2.27 0.00 0.00 179.45 174.90 1aj5 h TRP 176 N -1.11 0.00 -0.49 1.91 6.55 -0.84 -0.95 115.95 121.02 1aj5 h TRP 176 Ca -0.10 0.00 -0.08 0.00 0.95 0.00 0.00 58.89 59.66 1aj5 h TRP 176 Cb 0.77 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 29.05 1aj5 h TRP 176 CO -0.01 0.00 -0.02 0.37 -1.05 0.00 0.00 178.44 177.74 1aj5 h GLN 177 N 0.00 0.83 -0.39 0.49 4.15 -0.82 -0.30 115.11 119.08 1aj5 h GLN 177 Ca 0.04 -0.24 -0.11 0.00 0.77 0.00 0.00 58.65 59.11 1aj5 h GLN 177 Cb 0.16 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 1aj5 h GLN 177 CO -0.00 0.85 -0.19 0.78 -1.93 0.00 0.00 178.83 178.33 1aj5 h GLY 178 N 0.98 0.89 0.99 2.39 0.00 -0.97 -1.91 103.07 105.44 1aj5 h GLY 178 Ca 0.15 -0.80 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 1aj5 h GLY 178 CO 0.02 0.73 0.33 -2.22 0.00 0.00 0.00 176.54 175.40 1aj5 h ILE 179 N 0.63 1.20 0.44 2.60 2.04 -1.18 -1.71 117.51 121.54 1aj5 h ILE 179 Ca 0.09 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 1aj5 h ILE 179 Cb 0.75 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1aj5 h ILE 179 CO 0.06 0.22 -0.21 0.22 0.00 0.00 0.00 178.15 178.44 1aj5 h TYR 180 N 0.83 -0.55 -0.75 1.37 5.03 -0.90 -1.36 116.97 120.63 1aj5 h TYR 180 Ca 0.21 -0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.61 1aj5 h TYR 180 Cb 0.06 0.18 -0.05 0.00 1.55 0.00 0.00 36.73 38.47 1aj5 h TYR 180 CO -0.01 -0.32 0.49 0.87 -1.32 0.00 0.00 178.16 177.88 1aj5 h LYS 181 N -0.64 0.65 -0.55 1.82 1.57 -1.30 0.17 116.57 118.29 1aj5 h LYS 181 Ca -0.06 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 1aj5 h LYS 181 Cb 0.48 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1aj5 h LYS 181 CO 0.10 0.43 0.20 -0.09 -0.57 0.00 0.00 179.45 179.51 1aj5 h ARG 182 N 0.66 0.84 0.00 3.15 2.43 -0.95 -3.19 114.38 117.32 1aj5 h ARG 182 Ca 0.35 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 59.27 1aj5 h ARG 182 Cb 0.46 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1aj5 h ARG 182 CO -0.13 0.75 -0.74 0.74 -1.51 0.00 0.00 179.97 179.08 1aj5 h PHE 183 N 0.76 0.00 -1.17 2.20 0.04 -0.40 -3.33 116.94 115.03 1aj5 h PHE 183 Ca 0.18 0.00 -0.74 0.00 2.80 0.00 0.00 57.97 60.21 1aj5 h PHE 183 Cb 0.24 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 38.26 1aj5 h PHE 183 CO 0.01 0.31 2.36 -3.47 -0.60 0.00 0.00 178.31 176.92 1aj5 n ASP 184 N -2.99 7.15 -0.06 2.17 2.03 0.53 -4.73 116.55 120.65 1aj5 n ASP 184 Ca -0.01 -3.11 -0.09 0.00 0.52 0.00 0.00 54.79 52.11 1aj5 n ASP 184 Cb 0.68 -1.41 -0.02 0.00 -0.72 0.00 0.00 41.12 39.66 1aj5 n ASP 184 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1aj5 h THR 185 N 2.97 0.98 0.00 5.18 2.02 -1.71 -1.27 112.91 121.09 1aj5 h THR 185 Ca 0.61 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.71 1aj5 h THR 185 Cb 0.40 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1aj5 h THR 185 CO 1.54 0.04 0.00 -0.90 0.37 0.00 0.00 175.52 176.57 1aj5 n ASP 186 N -5.00 0.00 -2.88 4.18 5.68 -1.26 -4.87 116.55 112.40 1aj5 n ASP 186 Ca -0.02 -1.72 -0.18 0.00 -0.50 0.00 0.00 54.79 52.37 1aj5 n ASP 186 Cb 0.07 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.05 1aj5 n ASP 186 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1aj5 n ARG 187 N -0.53 -3.01 0.00 0.11 5.12 -0.48 -4.85 116.66 113.02 1aj5 n ARG 187 Ca 0.01 0.58 0.14 0.00 -1.93 0.00 0.00 57.85 56.65 1aj5 n ARG 187 Cb 0.01 -5.26 0.79 0.00 -1.16 0.00 0.00 32.46 26.84 1aj5 n ARG 187 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1aj5 n SER 188 N -2.08 0.00 0.00 0.55 3.41 -1.26 -4.85 113.62 109.38 1aj5 n SER 188 Ca -0.09 -0.71 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 1aj5 n SER 188 Cb 0.58 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1aj5 n SER 188 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aj5 n GLY 189 N 0.76 0.45 3.40 5.00 0.00 -1.26 -5.03 105.19 108.51 1aj5 n GLY 189 Ca 0.19 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 1aj5 n GLY 189 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1aj5 s THR 190 N -2.00 0.02 0.01 2.61 -4.23 -1.26 -4.40 115.64 106.39 1aj5 s THR 190 Ca 0.00 -0.20 0.04 0.00 -1.18 0.00 0.00 61.69 60.36 1aj5 s THR 190 Cb 0.00 -1.01 -0.03 0.00 1.34 0.00 0.00 72.50 72.80 1aj5 s THR 190 CO 0.00 -0.11 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.23 1aj5 s ILE 191 N -2.85 3.33 0.59 2.99 1.01 -0.47 -4.53 121.20 121.27 1aj5 s ILE 191 Ca -0.03 -0.89 0.09 0.00 0.00 0.00 0.00 60.65 59.82 1aj5 s ILE 191 Cb -0.00 -2.42 0.09 0.00 0.01 0.00 0.00 42.46 40.13 1aj5 s ILE 191 CO -0.05 0.40 0.76 -0.83 0.00 0.00 0.00 174.94 175.22 1aj5 s GLY 192 N -1.36 1.79 0.42 6.18 0.00 -1.26 -1.86 107.32 111.24 1aj5 s GLY 192 Ca 0.16 -2.07 0.15 0.00 0.00 0.00 0.00 44.72 42.96 1aj5 s GLY 192 CO 0.06 -1.74 1.93 1.76 0.00 0.00 0.00 173.10 175.11 1aj5 h SER 193 N 0.20 0.40 1.08 1.64 0.02 -1.87 0.30 113.55 115.33 1aj5 h SER 193 Ca -0.30 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.60 1aj5 h SER 193 Cb 1.29 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1aj5 h SER 193 CO 0.42 0.22 -0.36 0.78 -1.14 0.00 0.00 176.83 176.76 1aj5 h ASN 194 N 0.44 0.00 0.23 3.07 2.35 -1.94 -3.28 115.58 116.45 1aj5 h ASN 194 Ca 0.36 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.86 1aj5 h ASN 194 Cb 0.77 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.10 1aj5 h ASN 194 CO -0.11 0.36 -1.99 -0.62 -1.65 0.00 0.00 177.43 173.41 1aj5 n GLU 195 N -3.39 0.66 -0.30 0.81 4.71 -0.43 -4.54 120.64 118.16 1aj5 n GLU 195 Ca 0.01 0.05 0.05 0.00 -0.01 0.00 0.00 57.16 57.26 1aj5 n GLU 195 Cb 0.55 -1.63 0.20 0.00 -1.01 0.00 0.00 31.44 29.55 1aj5 n GLU 195 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1aj5 h LEU 196 N 0.00 0.65 -0.41 -4.62 3.38 -1.05 0.04 115.31 113.29 1aj5 h LEU 196 Ca -0.32 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1aj5 h LEU 196 Cb 1.83 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.51 1aj5 h LEU 196 CO 0.03 0.33 0.21 -0.65 0.09 0.00 0.00 178.44 178.45 1aj5 h PRO 197 N 0.75 0.59 -0.68 1.13 0.11 -1.80 -1.40 132.00 130.69 1aj5 h PRO 197 Ca 0.44 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 66.43 1aj5 h PRO 197 Cb 0.50 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.47 1aj5 h PRO 197 CO -0.30 0.50 0.26 0.78 -0.21 0.00 0.00 178.00 179.04 1aj5 h GLY 198 N 0.53 1.09 0.85 -0.55 0.00 -1.69 -0.89 103.07 102.41 1aj5 h GLY 198 Ca 0.14 -0.60 0.03 0.00 0.00 0.00 0.00 47.33 46.90 1aj5 h GLY 198 CO -0.02 0.57 0.32 0.00 0.00 0.00 0.00 176.54 177.41 1aj5 h ALA 199 N 1.12 0.71 -0.26 3.60 0.00 -0.67 0.46 119.26 124.21 1aj5 h ALA 199 Ca 0.23 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.95 1aj5 h ALA 199 Cb 0.22 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1aj5 h ALA 199 CO -0.02 0.03 -0.53 0.74 0.00 0.00 0.00 179.25 179.47 1aj5 h PHE 200 N 0.64 0.96 0.25 0.00 -1.00 -1.07 -0.32 116.94 116.39 1aj5 h PHE 200 Ca 0.22 -0.34 0.01 0.00 2.81 0.00 0.00 57.97 60.67 1aj5 h PHE 200 Cb 0.04 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 39.39 1aj5 h PHE 200 CO -0.07 1.13 -0.30 0.93 -1.61 0.00 0.00 178.31 178.40 1aj5 h GLU 201 N 0.59 -0.57 -0.75 1.51 5.08 -0.73 -0.71 114.58 118.99 1aj5 h GLU 201 Ca 0.02 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.47 1aj5 h GLU 201 Cb 1.12 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 30.44 1aj5 h GLU 201 CO 0.11 -0.38 0.44 0.00 -1.00 0.00 0.00 179.01 178.18 1aj5 h ALA 202 N 0.01 1.01 0.00 3.43 0.00 -0.84 0.78 119.26 123.65 1aj5 h ALA 202 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1aj5 h ALA 202 Cb 0.57 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1aj5 h ALA 202 CO -0.09 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1aj5 n ALA 203 N -2.35 1.22 0.00 0.00 0.00 -0.14 -4.83 120.51 114.41 1aj5 n ALA 203 Ca 0.10 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1aj5 n ALA 203 Cb 0.17 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1aj5 n ALA 203 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aj5 n GLY 204 N -0.94 0.83 3.49 0.00 0.00 0.27 -5.03 105.19 103.81 1aj5 n GLY 204 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1aj5 n GLY 204 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aj5 s PHE 205 N -2.00 3.11 -0.61 1.61 0.08 -0.35 -5.00 117.98 114.82 1aj5 s PHE 205 Ca 0.00 -0.31 -0.12 0.00 0.12 0.00 0.00 56.93 56.62 1aj5 s PHE 205 Cb 0.00 -2.16 0.15 0.00 -0.57 0.00 0.00 43.02 40.44 1aj5 s PHE 205 CO 0.00 -0.21 0.52 -1.58 -0.10 0.00 0.00 175.22 173.86 1aj5 s HIS 206 N 1.17 3.46 -0.00 0.36 5.65 -1.26 -3.81 115.29 120.85 1aj5 s HIS 206 Ca 0.04 -1.79 0.02 0.00 0.25 0.00 0.00 55.06 53.57 1aj5 s HIS 206 Cb -0.14 -3.66 -0.04 0.00 -1.18 0.00 0.00 32.58 27.56 1aj5 s HIS 206 CO 0.03 -0.99 -0.01 -0.51 -0.65 0.00 0.00 174.74 172.61 1aj5 s LEU 207 N 0.97 3.48 1.04 8.88 1.43 -1.26 -5.11 118.68 128.11 1aj5 s LEU 207 Ca 0.09 -0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.05 1aj5 s LEU 207 Cb -0.23 -2.00 0.22 0.00 0.03 0.00 0.00 46.19 44.21 1aj5 s LEU 207 CO -0.02 0.28 1.07 0.20 0.23 0.00 0.00 176.35 178.11 1aj5 s ASN 208 N -1.55 2.07 0.15 2.29 0.01 -1.26 -4.77 114.94 111.88 1aj5 s ASN 208 Ca 0.19 1.53 -0.17 0.00 -0.71 0.00 0.00 52.86 53.71 1aj5 s ASN 208 Cb -0.11 -2.22 0.02 0.00 0.41 0.00 0.00 41.25 39.35 1aj5 s ASN 208 CO 0.10 -3.53 1.78 1.56 -1.51 0.00 0.00 177.10 175.50 1aj5 h GLN 209 N -2.16 0.37 -0.02 -0.60 4.20 -1.99 -1.42 115.11 113.49 1aj5 h GLN 209 Ca -0.55 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.04 1aj5 h GLN 209 Cb 1.31 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 29.02 1aj5 h GLN 209 CO 0.52 0.25 -0.36 1.25 -0.67 0.00 0.00 178.83 179.81 1aj5 h HIS 210 N 0.38 0.41 -0.19 2.96 2.76 -1.99 -1.55 115.15 117.93 1aj5 h HIS 210 Ca 0.14 -0.20 0.04 0.00 -2.20 0.00 0.00 60.37 58.15 1aj5 h HIS 210 Cb 0.03 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 28.90 1aj5 h HIS 210 CO -0.09 0.99 -0.08 0.82 -1.30 0.00 0.00 177.93 178.27 1aj5 h ILE 211 N -0.29 0.73 -0.49 6.26 1.08 -1.94 0.51 117.51 123.37 1aj5 h ILE 211 Ca -0.04 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.51 1aj5 h ILE 211 Cb 1.07 0.73 -0.06 0.00 -3.07 0.00 0.00 36.82 35.48 1aj5 h ILE 211 CO 0.07 0.00 0.13 0.22 -0.69 0.00 0.00 178.15 177.88 1aj5 h TYR 212 N -0.05 0.21 -0.29 1.37 3.20 -1.30 0.11 116.97 120.23 1aj5 h TYR 212 Ca 0.10 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.87 1aj5 h TYR 212 Cb 0.21 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1aj5 h TYR 212 CO -0.24 0.04 -0.36 0.66 -1.64 0.00 0.00 178.16 176.61 1aj5 h SER 213 N 0.28 0.68 -0.51 -2.11 4.64 -0.76 -0.71 113.55 115.05 1aj5 h SER 213 Ca 0.24 -0.29 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 1aj5 h SER 213 Cb 0.30 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1aj5 h SER 213 CO -0.29 0.98 0.25 0.24 -0.87 0.00 0.00 176.83 177.15 1aj5 h MET 214 N 0.54 0.73 -0.43 4.77 2.86 -0.28 -0.77 114.93 122.36 1aj5 h MET 214 Ca 0.05 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 1aj5 h MET 214 Cb 0.87 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 1aj5 h MET 214 CO 0.08 0.60 0.15 0.82 1.06 0.00 0.00 176.91 179.62 1aj5 h ILE 215 N 0.68 1.21 -0.49 -1.22 2.04 -0.80 -2.05 117.51 116.88 1aj5 h ILE 215 Ca 0.18 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 1aj5 h ILE 215 Cb 0.10 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1aj5 h ILE 215 CO -0.02 0.24 0.23 0.40 0.00 0.00 0.00 178.15 179.00 1aj5 h ILE 216 N 0.55 1.20 -0.69 -0.67 1.08 -0.89 -1.78 117.51 116.31 1aj5 h ILE 216 Ca 0.14 -0.57 0.05 0.00 -0.39 0.00 0.00 64.86 64.09 1aj5 h ILE 216 Cb 0.22 0.66 -0.05 0.00 -3.07 0.00 0.00 36.82 34.58 1aj5 h ILE 216 CO -0.01 0.22 0.40 0.03 -0.69 0.00 0.00 178.15 178.11 1aj5 h ARG 217 N 0.65 0.74 -0.70 2.37 2.47 -0.98 0.50 114.38 119.42 1aj5 h ARG 217 Ca 0.17 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.81 1aj5 h ARG 217 Cb 0.14 -0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 28.26 1aj5 h ARG 217 CO -0.02 0.49 0.31 -0.09 0.56 0.00 0.00 179.97 181.22 1aj5 h ARG 218 N 0.76 1.01 -0.00 0.04 9.65 -0.98 -3.29 114.38 121.57 1aj5 h ARG 218 Ca 0.30 -0.15 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 1aj5 h ARG 218 Cb 0.13 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.53 1aj5 h ARG 218 CO -0.16 0.80 -0.71 0.66 2.80 0.00 0.00 179.97 183.36 1aj5 n TYR 219 N -4.32 0.00 -2.58 2.20 4.02 -0.70 -5.00 117.16 110.78 1aj5 n TYR 219 Ca 0.06 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.71 1aj5 n TYR 219 Cb 0.15 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.50 1aj5 n TYR 219 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1aj5 s SER 220 N -2.46 5.51 0.58 7.72 0.01 0.13 -4.74 113.70 120.45 1aj5 s SER 220 Ca 0.07 0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.78 1aj5 s SER 220 Cb 0.12 -1.45 0.00 0.00 0.21 0.00 0.00 66.02 64.90 1aj5 s SER 220 CO 0.63 -1.04 0.00 -0.90 0.41 0.00 0.00 173.24 172.34 1aj5 n ASP 221 N -2.44 0.00 -0.27 2.44 5.68 0.86 -4.86 116.55 117.95 1aj5 n ASP 221 Ca 0.05 -0.90 0.18 0.00 -0.50 0.00 0.00 54.79 53.62 1aj5 n ASP 221 Cb 0.58 0.00 0.47 0.00 -1.14 0.00 0.00 41.12 41.03 1aj5 n ASP 221 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1aj5 h GLU 222 N 0.00 0.47 -0.71 0.11 5.08 -1.97 -1.77 114.58 115.79 1aj5 h GLU 222 Ca 0.00 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1aj5 h GLU 222 Cb 0.00 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.08 1aj5 h GLU 222 CO 0.00 0.31 0.13 0.25 -1.00 0.00 0.00 179.01 178.71 1aj5 n THR 223 N -4.57 2.58 -1.33 1.13 -2.24 -1.26 -4.91 114.28 103.67 1aj5 n THR 223 Ca 0.21 -1.35 -0.11 0.00 -2.27 0.00 0.00 64.05 60.52 1aj5 n THR 223 Cb 0.68 -0.36 -0.05 0.00 -2.10 0.00 0.00 70.33 68.51 1aj5 n THR 223 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aj5 n GLY 224 N 0.21 1.26 3.85 3.38 0.00 -0.66 -4.80 105.19 108.43 1aj5 n GLY 224 Ca 0.31 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 1aj5 n GLY 224 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1aj5 s ASN 225 N -2.87 6.20 -0.09 1.61 0.01 -1.26 -3.52 114.94 115.03 1aj5 s ASN 225 Ca 0.00 0.41 0.04 0.00 -0.71 0.00 0.00 52.86 52.61 1aj5 s ASN 225 Cb 0.00 -1.97 -0.00 0.00 0.41 0.00 0.00 41.25 39.69 1aj5 s ASN 225 CO 0.00 0.40 -0.24 -0.32 -1.51 0.00 0.00 177.10 175.43 1aj5 s MET 226 N -1.06 2.92 0.71 -0.60 1.75 -0.78 -0.10 119.30 122.15 1aj5 s MET 226 Ca 0.15 -0.88 -0.03 0.00 -1.25 0.00 0.00 55.69 53.68 1aj5 s MET 226 Cb -0.12 -2.27 0.11 0.00 2.84 0.00 0.00 34.83 35.38 1aj5 s MET 226 CO 0.04 0.24 0.99 0.16 -0.65 0.00 0.00 175.02 175.81 1aj5 s ASP 227 N 0.19 4.45 0.18 1.11 -4.77 -1.26 -1.36 116.67 115.20 1aj5 s ASP 227 Ca -0.14 -0.11 -0.14 0.00 -3.30 0.00 0.00 52.55 48.87 1aj5 s ASP 227 Cb -0.17 -0.37 0.11 0.00 -1.09 0.00 0.00 42.92 41.41 1aj5 s ASP 227 CO 0.07 -1.79 1.80 0.15 0.70 0.00 0.00 175.17 176.10 1aj5 h PHE 228 N -0.55 0.50 -0.25 2.11 3.57 -1.81 -0.84 116.94 119.67 1aj5 h PHE 228 Ca -0.39 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.18 1aj5 h PHE 228 Cb 1.28 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.81 1aj5 h PHE 228 CO -0.12 0.27 -0.11 0.22 -2.23 0.00 0.00 178.31 176.34 1aj5 h ASP 229 N 0.54 -0.37 0.44 0.41 3.58 -1.93 -1.26 116.42 117.82 1aj5 h ASP 229 Ca 0.21 0.09 -0.15 0.00 0.42 0.00 0.00 57.03 57.60 1aj5 h ASP 229 Cb 0.08 0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 1aj5 h ASP 229 CO -0.13 -0.14 -0.65 0.78 -2.88 0.00 0.00 179.24 176.22 1aj5 h ASN 230 N -0.07 0.22 0.56 2.28 4.21 -1.85 -0.88 115.58 120.06 1aj5 h ASN 230 Ca 0.13 -0.14 -0.03 0.00 1.21 0.00 0.00 56.30 57.48 1aj5 h ASN 230 Cb 0.27 -0.07 0.01 0.00 -1.12 0.00 0.00 38.32 37.41 1aj5 h ASN 230 CO -0.30 0.81 -0.27 0.15 -1.29 0.00 0.00 177.43 176.53 1aj5 h PHE 231 N 0.14 -0.70 -0.18 1.19 3.57 -0.72 0.27 116.94 120.51 1aj5 h PHE 231 Ca -0.01 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1aj5 h PHE 231 Cb 1.17 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 40.13 1aj5 h PHE 231 CO 0.02 -0.42 0.10 0.82 -2.23 0.00 0.00 178.31 176.60 1aj5 h ILE 232 N -0.79 1.10 -0.87 1.41 1.08 -1.23 -1.03 117.51 117.17 1aj5 h ILE 232 Ca -0.08 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 1aj5 h ILE 232 Cb 0.60 0.95 -0.04 0.00 -3.07 0.00 0.00 36.82 35.25 1aj5 h ILE 232 CO 0.13 0.09 0.55 -1.28 -0.69 0.00 0.00 178.15 176.95 1aj5 h SER 233 N 0.19 1.02 -0.26 1.72 0.87 -1.13 0.53 113.55 116.48 1aj5 h SER 233 Ca 0.06 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 1aj5 h SER 233 Cb 0.06 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 1aj5 h SER 233 CO -0.01 0.76 0.08 0.00 -0.53 0.00 0.00 176.83 177.13 1aj5 h LEU 235 N 0.26 0.71 -0.06 0.00 3.38 -0.77 -1.54 115.31 117.29 1aj5 h LEU 235 Ca 0.08 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1aj5 h LEU 235 Cb 0.24 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1aj5 h LEU 235 CO -0.00 0.96 0.03 0.58 0.09 0.00 0.00 178.44 180.10 1aj5 h VAL 236 N 0.58 1.06 -0.60 1.22 2.07 -0.89 -0.37 116.25 119.33 1aj5 h VAL 236 Ca 0.07 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1aj5 h VAL 236 Cb 0.80 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1aj5 h VAL 236 CO 0.07 0.05 0.31 -0.09 0.02 0.00 0.00 177.57 177.93 1aj5 h ARG 237 N 0.02 0.84 -0.12 1.57 2.43 -1.39 -0.66 114.38 117.07 1aj5 h ARG 237 Ca 0.02 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1aj5 h ARG 237 Cb 0.06 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1aj5 h ARG 237 CO -0.00 0.66 0.06 1.25 -1.51 0.00 0.00 179.97 180.42 1aj5 h LEU 238 N 0.81 0.16 -0.54 3.80 5.85 -1.12 0.17 115.31 124.44 1aj5 h LEU 238 Ca 0.21 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1aj5 h LEU 238 Cb 0.07 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1aj5 h LEU 238 CO -0.03 0.22 0.33 -0.78 -0.34 0.00 0.00 178.44 177.84 1aj5 h ASP 239 N 0.08 0.53 -0.71 1.25 3.58 -0.93 -0.88 116.42 119.34 1aj5 h ASP 239 Ca 0.04 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.46 1aj5 h ASP 239 Cb 0.11 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 1aj5 h ASP 239 CO -0.01 0.37 0.31 0.00 -2.88 0.00 0.00 179.24 177.04 1aj5 h ALA 240 N 1.24 1.18 -0.30 -0.78 0.00 -0.81 -0.19 119.26 119.61 1aj5 h ALA 240 Ca 0.22 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1aj5 h ALA 240 Cb 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1aj5 h ALA 240 CO -0.10 0.60 -0.39 0.52 0.00 0.00 0.00 179.25 179.88 1aj5 h MET 241 N 1.04 0.71 -0.35 0.00 2.86 -0.19 0.99 114.93 119.99 1aj5 h MET 241 Ca 0.25 -0.36 -0.05 0.00 -2.06 0.00 0.00 59.70 57.47 1aj5 h MET 241 Cb 0.16 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1aj5 h MET 241 CO -0.03 0.98 0.00 0.74 1.06 0.00 0.00 176.91 179.67 1aj5 h PHE 242 N 0.58 0.67 -0.46 -0.22 0.04 -0.89 -1.90 116.94 114.76 1aj5 h PHE 242 Ca 0.05 -0.11 0.02 0.00 2.80 0.00 0.00 57.97 60.72 1aj5 h PHE 242 Cb 0.93 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.88 1aj5 h PHE 242 CO 0.05 0.72 0.28 0.00 -0.60 0.00 0.00 178.31 178.75 1aj5 h ARG 243 N 0.43 0.54 -0.65 1.51 3.08 -0.82 0.97 114.38 119.44 1aj5 h ARG 243 Ca 0.10 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.13 1aj5 h ARG 243 Cb 0.45 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 1aj5 h ARG 243 CO 0.02 0.36 0.42 0.00 -1.07 0.00 0.00 179.97 179.70 1aj5 h ALA 244 N 1.20 0.83 -0.10 0.04 0.00 -0.70 -0.59 119.26 119.93 1aj5 h ALA 244 Ca 0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1aj5 h ALA 244 Cb -0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1aj5 h ALA 244 CO -0.07 0.23 -0.00 0.35 0.00 0.00 0.00 179.25 179.75 1aj5 h PHE 245 N 0.86 0.20 -0.82 0.00 3.04 -1.09 -2.92 116.94 116.19 1aj5 h PHE 245 Ca 0.24 -0.03 0.16 0.00 3.98 0.00 0.00 57.97 62.32 1aj5 h PHE 245 Cb -0.07 -0.05 -0.10 0.00 2.56 0.00 0.00 35.95 38.28 1aj5 h PHE 245 CO -0.03 0.44 0.37 -0.09 -2.02 0.00 0.00 178.31 176.97 1aj5 h ARG 246 N -0.10 0.48 -0.16 1.11 2.43 -0.41 -1.04 114.38 116.69 1aj5 h ARG 246 Ca 0.03 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1aj5 h ARG 246 Cb 0.36 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1aj5 h ARG 246 CO 0.01 0.32 -0.27 0.66 -1.51 0.00 0.00 179.97 179.17 1aj5 h SER 247 N 0.49 0.30 -0.03 -3.80 4.64 -0.95 -2.40 113.55 111.80 1aj5 h SER 247 Ca 0.47 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1aj5 h SER 247 Cb 0.75 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1aj5 h SER 247 CO -0.42 0.57 0.00 0.18 -0.87 0.00 0.00 176.83 176.29 1aj5 n LEU 248 N -4.13 1.23 -3.56 5.97 4.77 -0.46 -4.42 117.00 116.40 1aj5 n LEU 248 Ca -0.01 -0.42 -0.27 0.00 -0.03 0.00 0.00 56.01 55.28 1aj5 n LEU 248 Cb 0.39 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.37 1aj5 n LEU 248 CO 0.40 0.21 -0.15 -0.67 -1.33 0.00 0.00 177.39 175.85 1aj5 n ASP 249 N -0.03 1.53 -1.77 -1.43 2.03 -0.84 -4.70 116.55 111.33 1aj5 n ASP 249 Ca 0.20 -2.88 -0.03 0.00 0.52 0.00 0.00 54.79 52.59 1aj5 n ASP 249 Cb 0.31 -0.66 -0.04 0.00 -0.72 0.00 0.00 41.12 40.01 1aj5 n ASP 249 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1aj5 n LYS 250 N 2.04 1.01 -0.03 -0.67 4.01 -1.26 -3.01 118.16 120.24 1aj5 n LYS 250 Ca 0.25 -0.24 0.00 0.00 -0.51 0.00 0.00 58.31 57.81 1aj5 n LYS 250 Cb 0.43 -1.36 0.00 0.00 -0.51 0.00 0.00 35.03 33.59 1aj5 n LYS 250 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1aj5 n ASN 251 N 1.93 0.00 -2.00 4.39 2.04 -1.26 -5.02 115.26 115.34 1aj5 n ASN 251 Ca 0.10 -0.31 -0.18 0.00 -0.44 0.00 0.00 54.58 53.75 1aj5 n ASN 251 Cb 0.48 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.69 1aj5 n ASN 251 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1aj5 n GLY 252 N 0.00 0.54 0.00 4.83 0.00 -1.16 -4.85 105.19 104.55 1aj5 n GLY 252 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1aj5 n GLY 252 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aj5 n THR 253 N -3.05 0.00 -0.63 2.61 -2.24 -1.26 -4.85 114.28 104.86 1aj5 n THR 253 Ca -0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1aj5 n THR 253 Cb 0.63 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 1aj5 n THR 253 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aj5 n GLY 254 N -0.17 1.20 3.29 3.38 0.00 -1.26 -4.98 105.19 106.65 1aj5 n GLY 254 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 1aj5 n GLY 254 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1aj5 s GLN 255 N -0.17 0.48 0.37 1.61 -2.07 -1.26 -5.17 119.66 113.45 1aj5 s GLN 255 Ca 0.00 0.53 0.08 0.00 -1.82 0.00 0.00 55.36 54.15 1aj5 s GLN 255 Cb 0.00 0.23 -0.04 0.00 -1.09 0.00 0.00 33.01 32.11 1aj5 s GLN 255 CO 0.00 -0.06 0.18 0.96 -1.32 0.00 0.00 175.29 175.05 1aj5 s ILE 256 N 0.15 2.79 -0.14 3.63 -4.36 -1.26 -4.89 121.20 117.13 1aj5 s ILE 256 Ca -0.01 -1.65 0.01 0.00 -0.26 0.00 0.00 60.65 58.75 1aj5 s ILE 256 Cb -0.03 -2.99 0.02 0.00 1.25 0.00 0.00 42.46 40.71 1aj5 s ILE 256 CO 0.01 -0.11 -0.16 -1.10 0.24 0.00 0.00 174.94 173.82 1aj5 s GLN 257 N -3.90 2.39 0.02 0.37 1.11 -1.26 -5.13 119.66 113.26 1aj5 s GLN 257 Ca 0.40 -0.61 0.05 0.00 0.01 0.00 0.00 55.36 55.21 1aj5 s GLN 257 Cb -0.01 -2.10 -0.02 0.00 -1.01 0.00 0.00 33.01 29.87 1aj5 s GLN 257 CO 0.23 -0.16 -0.14 0.14 0.01 0.00 0.00 175.29 175.37 1aj5 s VAL 258 N 1.25 1.12 0.50 1.09 -7.23 -1.26 -5.10 120.40 110.77 1aj5 s VAL 258 Ca 0.00 -0.87 0.07 0.00 -1.81 0.00 0.00 61.98 59.37 1aj5 s VAL 258 Cb -0.14 -0.99 0.04 0.00 0.56 0.00 0.00 36.38 35.86 1aj5 s VAL 258 CO -0.07 0.11 0.68 0.54 -0.31 0.00 0.00 175.10 176.05 1aj5 s ASN 259 N -0.88 5.38 0.35 4.85 2.20 -1.26 -4.92 114.94 120.66 1aj5 s ASN 259 Ca 0.03 -0.46 0.08 0.00 -0.94 0.00 0.00 52.86 51.57 1aj5 s ASN 259 Cb -0.07 -0.41 0.80 0.00 -2.00 0.00 0.00 41.25 39.56 1aj5 s ASN 259 CO 0.01 -1.03 1.86 -0.29 -2.94 0.00 0.00 177.10 174.71 1aj5 h ILE 260 N 0.36 0.83 -0.08 0.54 6.09 -2.01 -2.04 117.51 121.21 1aj5 h ILE 260 Ca -0.38 -0.24 -0.01 0.00 -1.37 0.00 0.00 64.86 62.86 1aj5 h ILE 260 Cb 1.28 0.06 -0.00 0.00 0.47 0.00 0.00 36.82 38.63 1aj5 h ILE 260 CO 0.45 0.13 0.02 1.56 -3.07 0.00 0.00 178.15 177.24 1aj5 h GLN 261 N 0.71 0.12 -0.73 2.19 4.20 -2.00 -1.29 115.11 118.32 1aj5 h GLN 261 Ca 0.46 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 59.08 1aj5 h GLN 261 Cb 0.71 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.44 1aj5 h GLN 261 CO -0.21 0.29 0.24 0.93 -0.67 0.00 0.00 178.83 179.40 1aj5 h GLU 262 N -0.07 1.13 -0.20 1.46 5.08 -1.89 -2.36 114.58 117.73 1aj5 h GLU 262 Ca 0.02 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1aj5 h GLU 262 Cb 0.22 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1aj5 h GLU 262 CO -0.00 0.96 0.12 2.35 -1.00 0.00 0.00 179.01 181.44 1aj5 h TRP 263 N 1.08 0.27 -0.48 4.33 2.91 -1.22 0.10 115.95 122.94 1aj5 h TRP 263 Ca 0.24 -0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.19 1aj5 h TRP 263 Cb 0.29 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 28.84 1aj5 h TRP 263 CO 0.02 0.21 0.06 -0.07 -1.03 0.00 0.00 178.44 177.64 1aj5 h LEU 264 N 0.24 0.77 -0.17 0.65 3.38 -1.18 -1.08 115.31 117.92 1aj5 h LEU 264 Ca 0.07 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1aj5 h LEU 264 Cb 0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1aj5 h LEU 264 CO -0.01 0.85 0.08 -0.61 0.09 0.00 0.00 178.44 178.84 1aj5 h GLN 265 N 0.67 0.25 -0.48 1.13 4.15 -1.24 0.20 115.11 119.79 1aj5 h GLN 265 Ca 0.14 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.44 1aj5 h GLN 265 Cb 0.42 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 1aj5 h GLN 265 CO 0.01 0.30 -0.04 -0.07 -1.93 0.00 0.00 178.83 177.10 1aj5 h LEU 266 N 0.14 0.80 0.09 -2.39 3.38 -0.70 -2.64 115.31 114.00 1aj5 h LEU 266 Ca 0.06 -0.22 -0.36 0.00 0.09 0.00 0.00 57.88 57.46 1aj5 h LEU 266 Cb 0.13 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1aj5 h LEU 266 CO -0.01 0.89 -2.01 0.35 0.09 0.00 0.00 178.44 177.76 1aj5 n THR 267 N -4.19 1.73 0.07 0.22 -2.24 -0.42 -4.53 114.28 104.92 1aj5 n THR 267 Ca 0.02 -0.67 -0.16 0.00 -2.27 0.00 0.00 64.05 60.97 1aj5 n THR 267 Cb 0.33 -1.58 -0.14 0.00 -2.10 0.00 0.00 70.33 66.84 1aj5 n THR 267 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1aj5 h MET 268 N 0.05 0.24 -3.83 -0.78 2.86 -0.71 -3.39 114.93 109.38 1aj5 h MET 268 Ca -0.42 -0.41 -0.79 0.00 -2.06 0.00 0.00 59.70 56.03 1aj5 h MET 268 Cb 2.02 0.15 -0.25 0.00 0.06 0.00 0.00 31.60 33.58 1aj5 h MET 268 CO 0.07 1.12 0.70 0.98 1.06 0.00 0.00 176.91 180.84 1aj5 n TYR 269 N -3.46 5.12 -1.76 -0.22 9.36 -1.00 -5.06 117.16 120.16 1aj5 n TYR 269 Ca -0.13 -3.74 0.00 0.00 3.32 0.00 0.00 57.90 57.35 1aj5 n TYR 269 Cb 1.03 -1.82 0.00 0.00 -0.63 0.00 0.00 39.34 37.93 1aj5 n TYR 269 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95