#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cpw s GLU 96 N 0.00 0.89 0.28 -2.82 -1.05 -1.09 -4.93 118.70 109.98 3cpw s GLU 96 Ca 0.00 -1.37 -0.28 0.00 -0.15 0.00 0.00 54.97 53.16 3cpw s GLU 96 Cb 0.00 -0.23 -0.09 0.00 -0.44 0.00 0.00 34.13 33.37 3cpw s GLU 96 CO 0.00 -0.03 0.98 -0.51 0.95 0.00 0.00 175.26 176.64 3cpw s LEU 97 N -3.07 4.51 -0.09 1.83 1.43 -1.26 -0.86 118.68 121.17 3cpw s LEU 97 Ca 0.14 1.98 -0.04 0.00 -1.03 0.00 0.00 54.13 55.18 3cpw s LEU 97 Cb 0.05 -3.77 0.05 0.00 0.03 0.00 0.00 46.19 42.55 3cpw s LEU 97 CO -0.03 -0.00 0.19 -1.10 0.23 0.00 0.00 176.35 175.63 3cpw s GLN 98 N -1.57 0.11 0.43 1.70 -1.52 0.31 -4.90 119.66 114.22 3cpw s GLN 98 Ca 0.45 0.49 -0.22 0.00 -1.95 0.00 0.00 55.36 54.14 3cpw s GLN 98 Cb -0.25 -0.17 -0.09 0.00 -0.22 0.00 0.00 33.01 32.28 3cpw s GLN 98 CO 0.31 -0.21 1.01 0.00 -0.25 0.00 0.00 175.29 176.15 3cpw s ALA 99 N 1.57 3.01 0.61 6.09 0.00 -1.26 -1.24 121.76 130.54 3cpw s ALA 99 Ca -0.05 0.57 -0.09 0.00 0.00 0.00 0.00 51.96 52.38 3cpw s ALA 99 Cb -0.11 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 3cpw s ALA 99 CO -0.07 -0.11 0.97 1.03 0.00 0.00 0.00 175.76 177.58 3cpw s ARG 100 N -2.89 3.24 0.56 0.00 0.52 -0.91 -4.93 118.95 114.55 3cpw s ARG 100 Ca 0.61 0.40 0.00 0.00 -0.52 0.00 0.00 55.73 56.22 3cpw s ARG 100 Cb -0.16 -2.16 0.00 0.00 0.52 0.00 0.00 34.95 33.14 3cpw s ARG 100 CO 0.20 -0.65 0.00 0.41 0.02 0.00 0.00 175.30 175.29 3cpw n GLY 101 N -2.68 -1.99 3.29 -3.53 0.00 -1.26 -4.51 105.19 94.50 3cpw n GLY 101 Ca 0.05 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 3cpw n GLY 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cpw n LEU 102 N 0.00 5.61 -0.00 0.99 4.77 -1.26 -4.79 117.00 122.32 3cpw n LEU 102 Ca 0.00 -4.00 -0.03 0.00 -0.03 0.00 0.00 56.01 51.96 3cpw n LEU 102 Cb 0.13 -1.72 0.22 0.00 -2.33 0.00 0.00 43.42 39.72 3cpw n LEU 102 CO 0.00 0.48 0.80 0.74 -1.33 0.00 0.00 177.39 178.08 3cpw h THR 103 N 5.02 1.25 0.00 -5.08 2.02 -1.91 -3.14 112.91 111.06 3cpw h THR 103 Ca 0.49 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.55 3cpw h THR 103 Cb 0.79 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 3cpw h THR 103 CO 1.61 0.37 -0.45 -0.62 0.37 0.00 0.00 175.52 176.79 3cpw n GLU 104 N -4.17 0.11 -1.63 6.66 -0.58 -1.26 -4.95 120.64 114.82 3cpw n GLU 104 Ca 0.00 0.04 -0.45 0.00 -0.42 0.00 0.00 57.16 56.33 3cpw n GLU 104 Cb 0.36 -1.58 -0.02 0.00 -0.57 0.00 0.00 31.44 29.62 3cpw n GLU 104 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3cpw n LYS 105 N -1.75 1.67 -4.91 3.49 4.81 -1.19 -5.00 118.16 115.29 3cpw n LYS 105 Ca 0.05 0.59 -0.30 0.00 -0.87 0.00 0.00 58.31 57.78 3cpw n LYS 105 Cb 0.38 -2.13 -0.15 0.00 0.02 0.00 0.00 35.03 33.15 3cpw n LYS 105 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3cpw s THR 106 N -0.49 2.08 0.72 3.15 2.01 -1.26 -5.03 115.64 116.82 3cpw s THR 106 Ca 0.65 -1.35 -0.11 0.00 0.31 0.00 0.00 61.69 61.19 3cpw s THR 106 Cb -0.70 -1.78 0.02 0.00 0.01 0.00 0.00 72.50 70.06 3cpw s THR 106 CO 0.55 0.36 1.08 -2.16 -0.69 0.00 0.00 174.62 173.76 3cpw s PRO 107 N -1.19 2.73 -0.22 4.92 0.04 -1.26 -5.00 135.00 135.01 3cpw s PRO 107 Ca 0.11 0.63 -0.07 0.00 0.04 0.00 0.00 61.00 61.71 3cpw s PRO 107 Cb -0.10 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 3cpw s PRO 107 CO 0.02 -1.17 0.07 0.16 0.04 0.00 0.00 177.00 176.12 3cpw s ASP 108 N -4.11 5.36 0.05 6.66 -4.77 -1.13 -5.03 116.67 113.70 3cpw s ASP 108 Ca 0.59 -0.08 0.09 0.00 -3.30 0.00 0.00 52.55 49.84 3cpw s ASP 108 Cb -0.12 -1.94 -0.03 0.00 -1.09 0.00 0.00 42.92 39.73 3cpw s ASP 108 CO 0.53 0.05 -0.24 -0.76 0.70 0.00 0.00 175.17 175.45 3cpw s LEU 109 N 1.10 2.18 1.01 2.11 1.43 -1.26 -4.89 118.68 120.36 3cpw s LEU 109 Ca 0.04 -0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 52.45 3cpw s LEU 109 Cb -0.14 -1.16 0.16 0.00 0.03 0.00 0.00 46.19 45.08 3cpw s LEU 109 CO 0.03 0.21 0.90 -1.54 0.23 0.00 0.00 176.35 176.18 3cpw n SER 110 N 1.74 -0.85 -0.14 2.29 3.41 -1.26 -4.69 113.62 114.12 3cpw n SER 110 Ca -0.17 0.21 -0.00 0.00 -0.26 0.00 0.00 58.87 58.64 3cpw n SER 110 Cb 0.52 -1.33 0.25 0.00 -0.26 0.00 0.00 64.21 63.39 3cpw n SER 110 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3cpw h ASP 111 N -2.08 0.75 0.36 4.04 3.32 -2.00 -1.98 116.42 118.84 3cpw h ASP 111 Ca -0.49 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 56.38 3cpw h ASP 111 Cb 1.30 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 3cpw h ASP 111 CO 0.42 0.64 -0.46 -0.08 -1.72 0.00 0.00 179.24 178.03 3cpw h GLU 112 N 0.84 0.13 -0.05 3.56 4.57 -2.00 -2.12 114.58 119.51 3cpw h GLU 112 Ca 0.21 -0.07 -0.22 0.00 -1.18 0.00 0.00 59.36 58.10 3cpw h GLU 112 Cb 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 3cpw h GLU 112 CO -0.03 0.57 -0.87 -0.44 -1.18 0.00 0.00 179.01 177.06 3cpw h ASP 113 N 0.10 0.64 0.31 1.04 5.19 -1.76 -1.76 116.42 120.18 3cpw h ASP 113 Ca 0.00 -0.47 -0.10 0.00 -0.62 0.00 0.00 57.03 55.84 3cpw h ASP 113 Cb 0.86 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.17 3cpw h ASP 113 CO 0.07 1.25 -0.42 0.00 -3.12 0.00 0.00 179.24 177.02 3cpw h ALA 114 N 0.72 1.17 0.09 3.45 0.00 -1.23 -0.95 119.26 122.51 3cpw h ALA 114 Ca -0.07 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3cpw h ALA 114 Cb 1.49 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3cpw h ALA 114 CO 0.16 0.57 -0.04 -0.09 0.00 0.00 0.00 179.25 179.85 3cpw h ARG 115 N 0.13 -0.11 -0.55 0.00 2.43 -1.29 -1.99 114.38 112.99 3cpw h ARG 115 Ca 0.01 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3cpw h ARG 115 Cb 0.80 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.35 3cpw h ARG 115 CO 0.06 0.34 0.34 -0.07 -1.51 0.00 0.00 179.97 179.12 3cpw h LEU 116 N -0.61 0.66 -0.09 3.80 3.38 -1.26 0.32 115.31 121.51 3cpw h LEU 116 Ca -0.01 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3cpw h LEU 116 Cb 0.50 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3cpw h LEU 116 CO 0.02 0.52 -0.02 0.25 0.09 0.00 0.00 178.44 179.30 3cpw h LEU 117 N 0.74 -0.07 -2.08 1.67 5.85 -1.22 -0.36 115.31 119.84 3cpw h LEU 117 Ca 0.20 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.98 3cpw h LEU 117 Cb -0.02 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 3cpw h LEU 117 CO -0.04 -0.02 0.09 0.74 -0.34 0.00 0.00 178.44 178.87 3cpw h THR 118 N 0.01 0.84 -0.03 1.05 2.02 -0.89 -0.97 112.91 114.93 3cpw h THR 118 Ca 0.04 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 3cpw h THR 118 Cb 0.06 0.93 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 3cpw h THR 118 CO -0.08 0.00 -0.04 -0.61 0.37 0.00 0.00 175.52 175.16 3cpw h GLN 119 N 0.00 0.07 -0.96 6.66 4.15 0.45 -2.36 115.11 123.12 3cpw h GLN 119 Ca 0.06 -0.04 0.10 0.00 0.77 0.00 0.00 58.65 59.53 3cpw h GLN 119 Cb 0.24 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.86 3cpw h GLN 119 CO -0.00 0.59 0.60 -0.09 -1.93 0.00 0.00 178.83 177.99 3cpw h ARG 120 N -0.43 0.97 0.00 1.69 2.43 -0.29 0.15 114.38 118.89 3cpw h ARG 120 Ca 0.00 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 3cpw h ARG 120 Cb 0.58 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3cpw h ARG 120 CO 0.01 0.64 -0.25 1.25 -1.51 0.00 0.00 179.97 180.10 3cpw h HIS 121 N 0.99 0.00 0.01 2.20 2.76 -1.16 -2.22 115.15 117.73 3cpw h HIS 121 Ca 0.46 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 58.44 3cpw h HIS 121 Cb 0.37 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.31 3cpw h HIS 121 CO -0.02 0.25 -0.98 -0.09 -1.30 0.00 0.00 177.93 175.80 3cpw h ARG 122 N 0.00 0.01 -0.09 5.26 2.43 -0.53 -3.40 114.38 118.07 3cpw h ARG 122 Ca -0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3cpw h ARG 122 Cb 0.77 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.32 3cpw h ARG 122 CO 0.03 1.01 -0.02 0.28 -1.51 0.00 0.00 179.97 179.77 3cpw h VAL 123 N -0.96 1.29 -0.07 0.20 2.07 -0.85 -3.49 116.25 114.43 3cpw h VAL 123 Ca -0.27 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.34 3cpw h VAL 123 Cb 1.26 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 3cpw h VAL 123 CO -0.15 0.26 0.00 0.61 0.02 0.00 0.00 177.57 178.31 3cpw n GLY 124 N -0.14 0.70 3.50 2.17 0.00 -0.84 -4.95 105.19 105.63 3cpw n GLY 124 Ca -0.07 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 3cpw n GLY 124 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cpw s LYS 125 N 0.00 0.90 0.79 1.61 -2.85 -1.26 -5.06 119.74 113.87 3cpw s LYS 125 Ca 0.00 -0.25 -0.11 0.00 -1.00 0.00 0.00 55.97 54.62 3cpw s LYS 125 Cb 0.00 0.42 0.07 0.00 -2.06 0.00 0.00 37.83 36.25 3cpw s LYS 125 CO 0.00 -0.38 1.10 -1.25 0.10 0.00 0.00 175.35 174.93 3cpw s PRO 126 N -2.88 2.11 0.46 1.78 0.04 -1.26 -4.91 135.00 130.33 3cpw s PRO 126 Ca 0.02 1.25 0.15 0.00 0.04 0.00 0.00 61.00 62.46 3cpw s PRO 126 Cb -0.01 -1.87 1.11 0.00 0.04 0.00 0.00 34.50 33.76 3cpw s PRO 126 CO -0.07 -1.77 2.01 1.96 0.04 0.00 0.00 177.00 179.17 3cpw h GLN 127 N -1.15 0.29 -6.16 4.56 4.20 -2.02 -3.46 115.11 111.37 3cpw h GLN 127 Ca -0.44 -0.02 -0.44 0.00 0.06 0.00 0.00 58.65 57.82 3cpw h GLN 127 Cb 1.24 -0.07 0.03 0.00 0.30 0.00 0.00 27.48 28.98 3cpw h GLN 127 CO 0.50 0.19 -0.81 1.19 -0.67 0.00 0.00 178.83 179.23 3cpw n PHE 128 N -4.46 -2.00 -3.54 2.96 0.99 -1.26 -4.99 117.46 105.16 3cpw n PHE 128 Ca 0.08 0.85 -0.29 0.00 -0.00 0.00 0.00 57.45 58.09 3cpw n PHE 128 Cb 0.35 -4.26 -0.04 0.00 -1.00 0.00 0.00 39.48 34.54 3cpw n PHE 128 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 3cpw s ASN 129 N -4.09 6.44 0.43 4.37 0.01 -1.26 -4.41 114.94 116.43 3cpw s ASN 129 Ca 0.17 0.58 -0.24 0.00 -0.71 0.00 0.00 52.86 52.66 3cpw s ASN 129 Cb -0.09 -2.09 -0.10 0.00 0.41 0.00 0.00 41.25 39.39 3cpw s ASN 129 CO 0.82 -0.09 1.12 -1.14 -1.51 0.00 0.00 177.10 176.31 3cpw n ARG 130 N -0.60 1.57 -1.69 -0.60 0.63 -0.64 -4.88 116.66 110.43 3cpw n ARG 130 Ca -0.03 0.56 -0.44 0.00 -0.92 0.00 0.00 57.85 57.02 3cpw n ARG 130 Cb 0.53 -2.20 -0.03 0.00 0.45 0.00 0.00 32.46 31.21 3cpw n ARG 130 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3cpw n GLN 131 N -0.00 2.44 -1.78 -0.14 10.64 -1.26 -2.09 117.38 125.20 3cpw n GLN 131 Ca 0.09 0.88 -0.19 0.00 -1.83 0.00 0.00 57.00 55.95 3cpw n GLN 131 Cb 0.40 -2.68 -0.06 0.00 -0.86 0.00 0.00 30.24 27.04 3cpw n GLN 131 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3cpw n ASP 132 N 3.50 -5.33 0.28 2.61 8.00 -1.26 -4.85 116.55 119.50 3cpw n ASP 132 Ca 0.16 0.33 0.13 0.00 0.71 0.00 0.00 54.79 56.12 3cpw n ASP 132 Cb 0.32 -4.46 0.81 0.00 -0.02 0.00 0.00 41.12 37.77 3cpw n ASP 132 CO 0.00 0.00 0.00 1.12 -0.39 0.00 0.00 177.20 177.93 3cpw h HIS 133 N 0.00 0.00 0.00 1.24 2.07 -1.68 -1.77 115.15 115.00 3cpw h HIS 133 Ca -0.40 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.12 3cpw h HIS 133 Cb 1.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.24 3cpw h HIS 133 CO 0.52 0.05 -0.11 -2.39 -3.07 0.00 0.00 177.93 172.94 3cpw n HIS 134 N -3.84 0.13 0.05 6.12 1.44 -1.26 -3.81 115.22 114.05 3cpw n HIS 134 Ca -0.03 0.04 0.05 0.00 -2.01 0.00 0.00 57.72 55.77 3cpw n HIS 134 Cb 0.14 -0.51 -0.06 0.00 0.12 0.00 0.00 29.99 29.68 3cpw n HIS 134 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3cpw n LYS 135 N -1.61 0.62 -3.80 -1.40 5.02 -0.67 -4.88 118.16 111.45 3cpw n LYS 135 Ca 0.06 0.14 -0.21 0.00 -2.02 0.00 0.00 58.31 56.28 3cpw n LYS 135 Cb 0.35 -1.78 -0.17 0.00 -0.02 0.00 0.00 35.03 33.41 3cpw n LYS 135 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3cpw s LYS 136 N -3.13 0.40 0.47 1.97 2.47 -1.23 -5.03 119.74 115.65 3cpw s LYS 136 Ca -0.03 0.16 0.15 0.00 -1.56 0.00 0.00 55.97 54.69 3cpw s LYS 136 Cb 0.09 -0.77 1.14 0.00 -1.46 0.00 0.00 37.83 36.83 3cpw s LYS 136 CO 0.81 -0.27 2.05 0.87 0.16 0.00 0.00 175.35 178.97 3cpw h LYS 137 N 8.11 0.23 0.00 4.03 1.57 -1.90 0.01 116.57 128.62 3cpw h LYS 137 Ca -0.23 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3cpw h LYS 137 Cb 1.13 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.38 3cpw h LYS 137 CO 0.28 0.16 0.00 2.89 -0.57 0.00 0.00 179.45 182.21 3cpw n ARG 138 N -4.47 0.16 -3.53 3.15 1.85 -1.26 -4.50 116.66 108.05 3cpw n ARG 138 Ca 0.05 0.13 -0.41 0.00 -1.00 0.00 0.00 57.85 56.62 3cpw n ARG 138 Cb 0.28 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 30.08 3cpw n ARG 138 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3cpw s VAL 139 N -2.77 5.09 0.50 8.89 1.01 -0.01 -5.07 120.40 128.04 3cpw s VAL 139 Ca 0.15 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 3cpw s VAL 139 Cb 0.13 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.73 3cpw s VAL 139 CO 0.33 -0.14 0.91 -0.94 0.00 0.00 0.00 175.10 175.26 3cpw s SER 140 N 1.67 6.48 0.62 3.32 1.04 -1.26 -4.64 113.70 120.94 3cpw s SER 140 Ca 0.05 1.35 0.38 0.00 0.48 0.00 0.00 55.95 58.21 3cpw s SER 140 Cb -0.18 -2.42 2.08 0.00 0.10 0.00 0.00 66.02 65.60 3cpw s SER 140 CO 0.09 -0.59 2.28 0.00 0.98 0.00 0.00 173.24 176.00 3cpw h THR 141 N 0.66 0.20 -2.35 2.02 1.03 -1.92 -3.41 112.91 109.14 3cpw h THR 141 Ca -0.46 -0.11 -0.59 0.00 -0.01 0.00 0.00 66.41 65.24 3cpw h THR 141 Cb 1.19 1.08 0.07 0.00 -1.07 0.00 0.00 68.15 69.42 3cpw h THR 141 CO 0.62 0.01 0.70 -0.24 -0.01 0.00 0.00 175.52 176.60 3cpw n SER 142 N -3.34 2.82 -4.74 0.00 2.88 -1.26 -1.63 113.62 108.36 3cpw n SER 142 Ca -0.03 1.11 -0.42 0.00 -1.33 0.00 0.00 58.87 58.21 3cpw n SER 142 Cb 0.11 -1.40 -0.02 0.00 -0.75 0.00 0.00 64.21 62.15 3cpw n SER 142 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 3cpw s TRP 143 N 0.53 2.95 -0.02 0.66 -0.11 -1.26 -4.01 118.94 117.67 3cpw s TRP 143 Ca 0.76 0.80 -0.01 0.00 1.22 0.00 0.00 56.10 58.86 3cpw s TRP 143 Cb -0.70 -3.94 0.02 0.00 -1.50 0.00 0.00 33.47 27.35 3cpw s TRP 143 CO 0.43 -3.24 0.05 1.03 -4.62 0.00 0.00 176.95 170.60 3cpw s ARG 144 N 0.14 0.02 0.18 5.86 1.81 -1.26 -4.95 118.95 120.75 3cpw s ARG 144 Ca 0.65 0.15 -0.32 0.00 -1.72 0.00 0.00 55.73 54.49 3cpw s ARG 144 Cb -0.44 -0.11 -0.11 0.00 -0.45 0.00 0.00 34.95 33.83 3cpw s ARG 144 CO 0.40 -0.09 1.74 0.21 -0.68 0.00 0.00 175.30 176.88 3cpw s LYS 145 N 0.59 4.14 -0.03 3.54 2.20 -1.26 -4.68 119.74 124.24 3cpw s LYS 145 Ca -0.05 2.58 -0.30 0.00 -0.36 0.00 0.00 55.97 57.84 3cpw s LYS 145 Cb -0.07 -3.25 -0.06 0.00 -1.51 0.00 0.00 37.83 32.95 3cpw s LYS 145 CO -0.02 -0.77 1.58 -1.25 -0.36 0.00 0.00 175.35 174.53 3cpw s PRO 146 N 1.67 4.21 -0.01 4.03 0.04 -1.26 -4.85 135.00 138.83 3cpw s PRO 146 Ca 0.76 2.14 0.13 0.00 0.04 0.00 0.00 61.00 64.07 3cpw s PRO 146 Cb -0.48 -3.82 -0.16 0.00 0.04 0.00 0.00 34.50 30.08 3cpw s PRO 146 CO 0.33 -0.76 0.47 0.54 0.04 0.00 0.00 177.00 177.61 3cpw n ARG 147 N 6.49 2.00 -1.64 4.56 5.12 -1.26 -4.71 116.66 127.22 3cpw n ARG 147 Ca 0.16 -0.04 -0.46 0.00 -1.93 0.00 0.00 57.85 55.58 3cpw n ARG 147 Cb 0.43 -1.17 -0.03 0.00 -1.16 0.00 0.00 32.46 30.52 3cpw n ARG 147 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3cpw n GLY 148 N 1.44 0.46 0.36 -0.13 0.00 -1.26 -4.84 105.19 101.23 3cpw n GLY 148 Ca 0.01 0.49 0.06 0.00 0.00 0.00 0.00 46.02 46.58 3cpw n GLY 148 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3cpw h GLN 149 N 3.74 0.79 -0.16 1.61 1.08 -2.04 -2.13 115.11 118.00 3cpw h GLN 149 Ca -0.44 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 3cpw h GLN 149 Cb 1.30 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.55 3cpw h GLN 149 CO 0.72 0.52 0.00 1.28 -0.95 0.00 0.00 178.83 180.41 3cpw n LEU 150 N -4.48 3.10 -4.61 1.46 4.77 -1.26 -4.93 117.00 111.04 3cpw n LEU 150 Ca 0.11 -1.16 -0.53 0.00 -0.03 0.00 0.00 56.01 54.41 3cpw n LEU 150 Cb 0.22 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 3cpw n LEU 150 CO 0.33 0.58 0.98 -0.24 -1.33 0.00 0.00 177.39 177.71 3cpw n SER 151 N 1.35 1.76 -0.16 -1.43 2.88 -0.80 -4.87 113.62 112.34 3cpw n SER 151 Ca 0.16 1.11 -0.10 0.00 -1.33 0.00 0.00 58.87 58.71 3cpw n SER 151 Cb 0.59 -1.18 -0.00 0.00 -0.75 0.00 0.00 64.21 62.87 3cpw n SER 151 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3cpw h LYS 152 N 5.03 0.82 -0.40 -1.46 1.79 -1.94 -0.92 116.57 119.48 3cpw h LYS 152 Ca -0.48 -0.27 -0.12 0.00 -2.18 0.00 0.00 60.65 57.60 3cpw h LYS 152 Cb 1.33 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.90 3cpw h LYS 152 CO 0.81 0.88 -0.24 0.37 -1.08 0.00 0.00 179.45 180.20 3cpw h GLN 153 N 0.67 0.81 -0.36 3.15 4.15 -1.87 -1.55 115.11 120.11 3cpw h GLN 153 Ca 0.13 -0.34 -0.03 0.00 0.77 0.00 0.00 58.65 59.18 3cpw h GLN 153 Cb 0.52 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.17 3cpw h GLN 153 CO 0.03 0.97 0.13 -0.09 -1.93 0.00 0.00 178.83 177.93 3cpw h ARG 154 N 0.70 0.55 0.00 1.69 2.43 -1.80 -1.50 114.38 116.46 3cpw h ARG 154 Ca 0.09 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3cpw h ARG 154 Cb 0.76 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3cpw h ARG 154 CO 0.06 0.56 0.00 0.54 -1.51 0.00 0.00 179.97 179.62 3cpw n ARG 155 N -4.66 0.30 -1.89 0.20 1.74 -0.36 -4.87 116.66 107.11 3cpw n ARG 155 Ca -0.01 0.10 -0.07 0.00 -0.77 0.00 0.00 57.85 57.10 3cpw n ARG 155 Cb 0.16 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.09 3cpw n ARG 155 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cpw n GLY 156 N 0.06 0.30 3.72 -0.13 0.00 -0.56 -4.99 105.19 103.58 3cpw n GLY 156 Ca 0.09 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 3cpw n GLY 156 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cpw s ILE 157 N -2.32 2.95 0.10 -0.61 1.01 -0.66 -4.92 121.20 116.75 3cpw s ILE 157 Ca 0.00 0.71 -0.31 0.00 0.00 0.00 0.00 60.65 61.06 3cpw s ILE 157 Cb 0.00 -3.46 -0.10 0.00 0.01 0.00 0.00 42.46 38.91 3cpw s ILE 157 CO 0.00 0.07 1.85 -0.75 0.00 0.00 0.00 174.94 176.12 3cpw s LYS 158 N 0.67 4.14 0.00 2.79 2.20 -1.26 -2.01 119.74 126.26 3cpw s LYS 158 Ca 0.64 2.59 0.00 0.00 -0.36 0.00 0.00 55.97 58.84 3cpw s LYS 158 Cb -0.40 -3.72 0.00 0.00 -1.51 0.00 0.00 37.83 32.20 3cpw s LYS 158 CO 0.34 -0.86 0.00 0.41 -0.36 0.00 0.00 175.35 174.88 3cpw n GLY 159 N 4.29 2.39 0.79 5.54 0.00 -1.26 -4.94 105.19 112.01 3cpw n GLY 159 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.28 3cpw n GLY 159 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cpw n LYS 160 N -0.67 2.00 0.00 1.61 4.76 -0.85 -5.03 118.16 119.97 3cpw n LYS 160 Ca 0.00 -1.55 0.00 0.00 -2.87 0.00 0.00 58.31 53.89 3cpw n LYS 160 Cb 0.00 -1.35 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 3cpw n LYS 160 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3cpw n GLY 161 N 1.20 -0.51 3.80 0.72 0.00 -1.26 -4.63 105.19 104.50 3cpw n GLY 161 Ca 0.15 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 3cpw n GLY 161 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cpw s ASP 162 N -1.38 6.27 -0.16 1.61 1.01 -1.26 -4.91 116.67 117.85 3cpw s ASP 162 Ca 0.00 1.93 -0.06 0.00 0.71 0.00 0.00 52.55 55.12 3cpw s ASP 162 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 3cpw s ASP 162 CO 0.00 -0.83 0.05 0.28 0.21 0.00 0.00 175.17 174.88 3cpw s THR 163 N -2.02 4.73 -0.16 -1.27 -1.32 -1.26 -4.83 115.64 109.51 3cpw s THR 163 Ca 0.67 -0.06 -0.39 0.00 -1.21 0.00 0.00 61.69 60.69 3cpw s THR 163 Cb -0.17 -3.10 -0.16 0.00 -1.51 0.00 0.00 72.50 67.56 3cpw s THR 163 CO 0.22 0.49 1.58 0.52 -2.21 0.00 0.00 174.62 175.22 3cpw n VAL 164 N 3.25 0.18 -3.95 5.08 0.31 -1.26 -4.97 118.33 116.97 3cpw n VAL 164 Ca -0.17 -0.03 -0.09 0.00 -0.01 0.00 0.00 64.34 64.04 3cpw n VAL 164 Cb 0.53 -1.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.36 3cpw n VAL 164 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3cpw s GLU 165 N 2.35 0.56 0.52 5.55 2.02 -1.26 -5.03 118.70 123.41 3cpw s GLU 165 Ca 0.94 -0.77 0.18 0.00 0.02 0.00 0.00 54.97 55.33 3cpw s GLU 165 Cb -1.06 0.22 1.28 0.00 0.10 0.00 0.00 34.13 34.66 3cpw s GLU 165 CO 0.60 -0.13 2.11 0.00 0.02 0.00 0.00 175.26 177.85 3cpw h ALA 166 N 3.73 2.11 -0.24 5.21 0.00 -2.01 -1.94 119.26 126.11 3cpw h ALA 166 Ca -0.33 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.65 3cpw h ALA 166 Cb 1.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3cpw h ALA 166 CO 0.51 -0.15 0.39 0.78 0.00 0.00 0.00 179.25 180.78 3cpw h GLY 167 N 0.03 0.00 0.70 0.00 0.00 -1.98 -1.06 103.07 100.76 3cpw h GLY 167 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3cpw h GLY 167 CO -0.00 0.00 -0.15 0.69 0.00 0.00 0.00 176.54 177.07 3cpw n PHE 168 N -3.39 0.00 -1.66 5.60 3.01 -0.73 -4.94 117.46 115.35 3cpw n PHE 168 Ca 0.03 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.07 3cpw n PHE 168 Cb 0.52 -0.17 -0.00 0.00 -0.01 0.00 0.00 39.48 39.82 3cpw n PHE 168 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3cpw n ARG 169 N -0.86 1.78 -1.55 -1.08 5.12 -0.41 -4.99 116.66 114.67 3cpw n ARG 169 Ca 0.14 0.63 -0.29 0.00 -1.93 0.00 0.00 57.85 56.39 3cpw n ARG 169 Cb 0.30 -2.18 0.11 0.00 -1.16 0.00 0.00 32.46 29.53 3cpw n ARG 169 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3cpw s SER 170 N -0.48 4.05 0.28 0.55 1.04 -1.26 -4.96 113.70 112.91 3cpw s SER 170 Ca 0.58 1.15 -0.30 0.00 0.48 0.00 0.00 55.95 57.86 3cpw s SER 170 Cb -0.58 -1.81 -0.11 0.00 0.10 0.00 0.00 66.02 63.62 3cpw s SER 170 CO 0.60 -2.23 1.50 -2.84 0.98 0.00 0.00 173.24 171.25 3cpw s PRO 171 N -5.22 4.20 0.20 4.02 0.02 -1.26 -4.81 135.00 132.15 3cpw s PRO 171 Ca 0.62 2.44 -0.12 0.00 0.02 0.00 0.00 61.00 63.96 3cpw s PRO 171 Cb -0.15 -3.06 0.25 0.00 0.02 0.00 0.00 34.50 31.57 3cpw s PRO 171 CO 0.54 -0.51 1.68 1.15 -0.33 0.00 0.00 177.00 179.53 3cpw h THR 172 N 3.40 0.58 0.00 0.99 2.02 -1.96 0.57 112.91 118.51 3cpw h THR 172 Ca -0.47 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.66 3cpw h THR 172 Cb 1.22 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 3cpw h THR 172 CO 0.77 0.03 0.14 0.00 0.37 0.00 0.00 175.52 176.83 3cpw h ALA 173 N 1.49 1.13 0.00 6.16 0.00 -2.00 -3.12 119.26 122.92 3cpw h ALA 173 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3cpw h ALA 173 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3cpw h ALA 173 CO -0.45 -0.13 -0.39 0.28 0.00 0.00 0.00 179.25 178.56 3cpw n VAL 174 N -2.71 0.00 -1.71 0.00 0.31 -0.84 -5.00 118.33 108.38 3cpw n VAL 174 Ca -0.02 -0.09 -0.66 0.00 -0.01 0.00 0.00 64.34 63.57 3cpw n VAL 174 Cb 0.19 0.50 -0.09 0.00 -0.91 0.00 0.00 33.84 33.53 3cpw n VAL 174 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3cpw n ARG 175 N -0.76 0.15 -0.36 5.55 0.63 0.13 -0.85 116.66 121.15 3cpw n ARG 175 Ca 0.00 0.06 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 3cpw n ARG 175 Cb 0.00 -1.58 0.00 0.00 0.45 0.00 0.00 32.46 31.33 3cpw n ARG 175 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3cpw n GLY 176 N 3.72 0.69 3.81 5.14 0.00 -1.26 -5.04 105.19 112.25 3cpw n GLY 176 Ca 0.29 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.96 3cpw n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cpw s LYS 177 N -0.64 4.31 0.76 1.61 1.02 -0.03 -4.68 119.74 122.09 3cpw s LYS 177 Ca 0.00 1.08 -0.14 0.00 0.02 0.00 0.00 55.97 56.94 3cpw s LYS 177 Cb 0.00 -2.51 0.06 0.00 -0.52 0.00 0.00 37.83 34.86 3cpw s LYS 177 CO 0.00 0.15 1.17 -1.58 -0.92 0.00 0.00 175.35 174.18 3cpw s HIS 178 N -1.89 2.08 -0.34 3.18 5.65 -0.34 -4.84 115.29 118.80 3cpw s HIS 178 Ca 0.55 1.63 0.18 0.00 0.25 0.00 0.00 55.06 57.66 3cpw s HIS 178 Cb -0.13 -3.37 0.97 0.00 -1.18 0.00 0.00 32.58 28.87 3cpw s HIS 178 CO 0.18 -2.46 1.55 -0.35 -0.65 0.00 0.00 174.74 173.01 3cpw n PRO 179 N -3.04 0.12 0.23 2.88 -0.04 -1.26 -1.03 135.00 132.86 3cpw n PRO 179 Ca 0.12 0.61 0.13 0.00 -0.04 0.00 0.00 63.50 64.32 3cpw n PRO 179 Cb 0.51 -1.88 0.30 0.00 -0.04 0.00 0.00 33.50 32.39 3cpw n PRO 179 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3cpw h SER 180 N 0.00 0.00 0.00 3.54 4.64 -2.01 -3.47 113.55 116.25 3cpw h SER 180 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cpw h SER 180 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3cpw h SER 180 CO 0.00 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 3cpw n GLY 181 N 0.82 2.12 3.77 -0.77 0.00 -0.20 -4.62 105.19 106.31 3cpw n GLY 181 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3cpw n GLY 181 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3cpw s PHE 182 N -2.18 2.95 -0.06 1.61 2.99 -1.26 -4.73 117.98 117.30 3cpw s PHE 182 Ca 0.00 1.54 -0.19 0.00 0.00 0.00 0.00 56.93 58.29 3cpw s PHE 182 Cb 0.00 -3.37 -0.05 0.00 0.00 0.00 0.00 43.02 39.60 3cpw s PHE 182 CO 0.00 -1.41 0.51 -1.21 -0.00 0.00 0.00 175.22 173.11 3cpw s GLU 183 N -2.58 4.27 0.25 0.44 0.41 -1.02 -1.19 118.70 119.27 3cpw s GLU 183 Ca 0.62 0.55 -0.16 0.00 -0.41 0.00 0.00 54.97 55.57 3cpw s GLU 183 Cb -0.29 -3.37 -0.08 0.00 -1.78 0.00 0.00 34.13 28.61 3cpw s GLU 183 CO 0.35 0.31 0.68 -1.21 -0.49 0.00 0.00 175.26 174.90 3cpw s GLU 184 N 0.10 4.06 -0.10 1.61 2.02 -1.26 -1.53 118.70 123.59 3cpw s GLU 184 Ca 0.28 0.66 0.00 0.00 0.02 0.00 0.00 54.97 55.93 3cpw s GLU 184 Cb -0.16 -2.70 0.02 0.00 0.10 0.00 0.00 34.13 31.39 3cpw s GLU 184 CO 0.13 0.31 -0.09 0.08 0.02 0.00 0.00 175.26 175.72 3cpw s VAL 185 N -1.72 1.06 -0.05 2.63 1.01 -0.49 -4.91 120.40 117.94 3cpw s VAL 185 Ca 0.47 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 3cpw s VAL 185 Cb -0.13 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 3cpw s VAL 185 CO 0.19 0.37 1.23 -0.60 0.00 0.00 0.00 175.10 176.29 3cpw s ARG 186 N 1.47 4.34 -0.08 2.72 6.06 -1.26 -1.08 118.95 131.12 3cpw s ARG 186 Ca 0.01 1.72 0.03 0.00 -2.50 0.00 0.00 55.73 54.99 3cpw s ARG 186 Cb -0.13 -3.56 0.00 0.00 0.06 0.00 0.00 34.95 31.32 3cpw s ARG 186 CO -0.06 -0.47 -0.18 0.54 -2.50 0.00 0.00 175.30 172.63 3cpw s VAL 187 N 2.27 1.61 -0.05 7.11 0.11 -0.06 -4.92 120.40 126.48 3cpw s VAL 187 Ca 0.57 -0.77 0.13 0.00 -2.93 0.00 0.00 61.98 58.98 3cpw s VAL 187 Cb -0.26 -1.42 -0.19 0.00 -1.53 0.00 0.00 36.38 32.99 3cpw s VAL 187 CO 0.22 0.46 0.22 1.41 -3.33 0.00 0.00 175.10 174.08 3cpw n HIS 188 N 3.59 0.00 -3.82 1.54 8.25 -1.26 -1.00 115.22 122.51 3cpw n HIS 188 Ca -0.20 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.16 3cpw n HIS 188 Cb 0.52 -0.39 -0.00 0.00 1.12 0.00 0.00 29.99 31.24 3cpw n HIS 188 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3cpw n ASN 189 N -2.11 -1.48 -0.27 0.41 2.04 -1.26 -4.89 115.26 107.70 3cpw n ASN 189 Ca -0.08 -2.45 -0.06 0.00 -0.44 0.00 0.00 54.58 51.56 3cpw n ASN 189 Cb 0.51 2.59 0.06 0.00 -2.53 0.00 0.00 39.78 40.41 3cpw n ASN 189 CO 0.00 0.00 0.00 0.58 -0.44 0.00 0.00 177.26 177.40 3cpw h VAL 190 N 1.83 1.24 0.00 3.53 2.07 -1.95 -2.60 116.25 120.36 3cpw h VAL 190 Ca -0.25 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 3cpw h VAL 190 Cb 1.00 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3cpw h VAL 190 CO 0.33 0.28 -0.03 0.44 0.02 0.00 0.00 177.57 178.60 3cpw h ASP 191 N 1.04 0.00 0.71 0.57 3.32 -1.99 -1.14 116.42 118.93 3cpw h ASP 191 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3cpw h ASP 191 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3cpw h ASP 191 CO -0.03 0.03 0.00 0.44 -1.72 0.00 0.00 179.24 177.96 3cpw h ASP 192 N 0.00 0.00 0.95 6.45 3.32 -1.87 -2.24 116.42 123.03 3cpw h ASP 192 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3cpw h ASP 192 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3cpw h ASP 192 CO 0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 3cpw n LEU 193 N -2.53 0.50 -4.64 1.55 4.77 -0.43 -4.74 117.00 111.47 3cpw n LEU 193 Ca 0.01 0.59 -0.43 0.00 -0.03 0.00 0.00 56.01 56.15 3cpw n LEU 193 Cb 0.23 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 3cpw n LEU 193 CO 0.21 -0.32 0.90 -0.70 -1.33 0.00 0.00 177.39 176.16 3cpw s GLU 194 N -3.15 4.12 0.00 3.23 2.12 -0.84 -3.15 118.70 121.02 3cpw s GLU 194 Ca 0.08 1.11 0.00 0.00 0.36 0.00 0.00 54.97 56.52 3cpw s GLU 194 Cb 0.12 -3.71 0.00 0.00 0.26 0.00 0.00 34.13 30.80 3cpw s GLU 194 CO 0.45 -0.79 0.00 0.41 -0.54 0.00 0.00 175.26 174.79 3cpw n GLY 195 N 3.74 0.76 3.70 -1.50 0.00 -1.26 -5.09 105.19 105.54 3cpw n GLY 195 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3cpw n GLY 195 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cpw s VAL 196 N -2.00 4.95 -0.57 1.61 1.01 -1.19 -5.02 120.40 119.20 3cpw s VAL 196 Ca 0.00 1.64 -0.23 0.00 0.00 0.00 0.00 61.98 63.39 3cpw s VAL 196 Cb 0.00 -4.13 0.05 0.00 0.00 0.00 0.00 36.38 32.30 3cpw s VAL 196 CO 0.00 0.15 0.89 -0.62 0.00 0.00 0.00 175.10 175.52 3cpw s ASP 197 N 0.97 6.28 0.00 3.32 -1.08 -1.26 -4.92 116.67 119.97 3cpw s ASP 197 Ca 0.41 -0.62 0.04 0.00 -0.52 0.00 0.00 52.55 51.86 3cpw s ASP 197 Cb -0.18 -2.40 0.17 0.00 -1.46 0.00 0.00 42.92 39.05 3cpw s ASP 197 CO 0.18 -1.22 1.09 0.61 0.52 0.00 0.00 175.17 176.36 3cpw n GLY 198 N 5.18 -0.60 0.08 2.66 0.00 -1.26 0.22 105.19 111.48 3cpw n GLY 198 Ca -0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 3cpw n GLY 198 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3cpw h ASP 199 N 0.00 0.00 0.00 1.61 3.32 -1.92 -3.41 116.42 116.03 3cpw h ASP 199 Ca 0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 3cpw h ASP 199 Cb 0.06 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 3cpw h ASP 199 CO 0.00 0.87 -1.71 0.41 -1.72 0.00 0.00 179.24 177.09 3cpw n THR 200 N -3.01 0.69 -4.38 0.35 -1.04 -0.76 -2.85 114.28 103.27 3cpw n THR 200 Ca -0.14 -0.44 -0.24 0.00 -2.04 0.00 0.00 64.05 61.19 3cpw n THR 200 Cb 0.98 -0.68 -0.09 0.00 -1.82 0.00 0.00 70.33 68.72 3cpw n THR 200 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3cpw s GLU 201 N -2.27 1.94 0.08 -2.82 2.02 0.13 -2.44 118.70 115.35 3cpw s GLU 201 Ca -0.05 -1.57 0.06 0.00 0.02 0.00 0.00 54.97 53.43 3cpw s GLU 201 Cb 0.03 -1.96 -0.03 0.00 0.10 0.00 0.00 34.13 32.27 3cpw s GLU 201 CO 0.43 0.36 -0.16 0.00 0.02 0.00 0.00 175.26 175.91 3cpw s ALA 202 N -2.31 1.35 -0.11 5.21 0.00 -0.58 -4.39 121.76 120.93 3cpw s ALA 202 Ca 0.29 -1.08 -0.04 0.00 0.00 0.00 0.00 51.96 51.13 3cpw s ALA 202 Cb -0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 3cpw s ALA 202 CO 0.17 0.21 0.06 0.54 0.00 0.00 0.00 175.76 176.73 3cpw s VAL 203 N -1.31 4.79 -0.25 0.00 0.11 0.24 -1.39 120.40 122.59 3cpw s VAL 203 Ca 0.01 -0.06 0.03 0.00 -2.93 0.00 0.00 61.98 59.02 3cpw s VAL 203 Cb -0.10 -3.06 0.06 0.00 -1.53 0.00 0.00 36.38 31.75 3cpw s VAL 203 CO 0.03 0.59 -0.11 -0.60 -3.33 0.00 0.00 175.10 171.68 3cpw s ARG 204 N -0.79 2.25 -0.07 1.54 3.52 -0.24 -1.40 118.95 123.76 3cpw s ARG 204 Ca 0.13 -1.26 -0.30 0.00 -0.13 0.00 0.00 55.73 54.17 3cpw s ARG 204 Cb -0.12 -2.82 -0.03 0.00 -1.56 0.00 0.00 34.95 30.42 3cpw s ARG 204 CO 0.03 -0.53 1.19 0.42 -0.81 0.00 0.00 175.30 175.59 3cpw s ILE 205 N 1.15 4.30 0.52 4.11 1.01 -1.26 -0.88 121.20 130.16 3cpw s ILE 205 Ca -0.07 1.62 -0.20 0.00 0.00 0.00 0.00 60.65 62.00 3cpw s ILE 205 Cb -0.19 -4.04 -0.10 0.00 0.01 0.00 0.00 42.46 38.14 3cpw s ILE 205 CO -0.06 -0.01 0.58 0.00 0.00 0.00 0.00 174.94 175.45 3cpw n ALA 206 N 5.28 -1.08 0.22 9.38 0.00 -0.17 -4.88 120.51 129.26 3cpw n ALA 206 Ca 0.11 0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.68 3cpw n ALA 206 Cb 0.46 -1.84 0.47 0.00 0.00 0.00 0.00 19.45 18.54 3cpw n ALA 206 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3cpw h SER 207 N 0.49 0.00 0.02 0.00 4.64 -1.94 -3.06 113.55 113.70 3cpw h SER 207 Ca -0.44 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.80 3cpw h SER 207 Cb 1.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.47 3cpw h SER 207 CO 0.49 0.25 -0.23 0.11 -0.87 0.00 0.00 176.83 176.58 3cpw h LYS 208 N 0.00 0.36 -6.44 4.77 1.57 -1.99 -3.44 116.57 111.40 3cpw h LYS 208 Ca -0.00 -0.12 -0.62 0.00 -1.87 0.00 0.00 60.65 58.04 3cpw h LYS 208 Cb 0.72 -0.03 0.07 0.00 0.08 0.00 0.00 32.23 33.07 3cpw h LYS 208 CO 0.03 0.57 0.48 0.28 -0.57 0.00 0.00 179.45 180.25 3cpw n VAL 209 N -4.16 0.67 -2.31 0.50 0.31 -1.16 -4.96 118.33 107.23 3cpw n VAL 209 Ca -0.00 -0.17 -0.26 0.00 -0.01 0.00 0.00 64.34 63.90 3cpw n VAL 209 Cb 0.37 -1.15 0.05 0.00 -0.91 0.00 0.00 33.84 32.20 3cpw n VAL 209 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3cpw s GLY 210 N 0.28 1.66 0.31 2.92 0.00 -1.26 -4.87 107.32 106.36 3cpw s GLY 210 Ca 0.74 -0.84 0.04 0.00 0.00 0.00 0.00 44.72 44.66 3cpw s GLY 210 CO 0.49 -0.49 1.84 0.00 0.00 0.00 0.00 173.10 174.93 3cpw h ALA 211 N -0.37 1.64 0.85 3.20 0.00 -1.98 -0.47 119.26 122.13 3cpw h ALA 211 Ca -0.45 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 3cpw h ALA 211 Cb 1.29 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.92 3cpw h ALA 211 CO 0.60 0.10 -0.41 -0.09 0.00 0.00 0.00 179.25 179.46 3cpw h ARG 212 N 0.87 -1.10 -0.00 0.00 2.43 -2.01 -1.97 114.38 112.61 3cpw h ARG 212 Ca 0.49 0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.68 3cpw h ARG 212 Cb 0.60 0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 3cpw h ARG 212 CO -0.25 -0.73 -0.25 -0.22 -1.51 0.00 0.00 179.97 177.01 3cpw h LYS 213 N -1.15 0.00 -0.53 0.20 3.64 -1.90 -2.79 116.57 114.05 3cpw h LYS 213 Ca -0.12 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.21 3cpw h LYS 213 Cb 0.87 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 3cpw h LYS 213 CO 0.19 0.25 0.14 0.00 -2.27 0.00 0.00 179.45 177.76 3cpw h ARG 214 N 0.00 0.85 -0.50 1.90 3.08 -0.93 -1.79 114.38 116.99 3cpw h ARG 214 Ca -0.00 -0.20 0.07 0.00 0.07 0.00 0.00 59.98 59.93 3cpw h ARG 214 Cb 0.44 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.31 3cpw h ARG 214 CO 0.03 0.79 0.15 1.49 -1.07 0.00 0.00 179.97 181.36 3cpw h GLU 215 N 0.75 0.30 -0.21 0.04 4.81 -1.07 0.80 114.58 119.99 3cpw h GLU 215 Ca 0.17 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3cpw h GLU 215 Cb 0.32 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3cpw h GLU 215 CO -0.00 0.20 0.05 0.00 -0.73 0.00 0.00 179.01 178.53 3cpw h ARG 216 N 0.31 0.34 -0.50 1.92 3.08 -1.49 -1.93 114.38 116.10 3cpw h ARG 216 Ca 0.24 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 3cpw h ARG 216 Cb 0.29 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3cpw h ARG 216 CO -0.27 0.46 0.31 0.82 -1.07 0.00 0.00 179.97 180.22 3cpw h ILE 217 N 0.16 1.15 -0.62 2.04 2.04 -0.69 -2.10 117.51 119.49 3cpw h ILE 217 Ca 0.07 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 3cpw h ILE 217 Cb 0.28 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 3cpw h ILE 217 CO 0.00 0.15 0.20 -0.33 0.00 0.00 0.00 178.15 178.17 3cpw h GLU 218 N 0.67 0.94 0.00 2.37 5.08 0.72 -1.36 114.58 123.00 3cpw h GLU 218 Ca 0.18 -0.18 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 3cpw h GLU 218 Cb -0.03 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 3cpw h GLU 218 CO -0.04 0.80 -0.81 1.05 -1.00 0.00 0.00 179.01 179.02 3cpw h GLU 219 N 0.91 0.00 -0.01 2.33 4.11 -1.16 -2.97 114.58 117.79 3cpw h GLU 219 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 3cpw h GLU 219 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3cpw h GLU 219 CO -0.01 0.81 -0.37 -1.91 0.07 0.00 0.00 179.01 177.60 3cpw n GLU 220 N -3.56 0.56 0.05 1.06 2.13 -0.81 -2.79 120.64 117.27 3cpw n GLU 220 Ca -0.01 -0.34 -0.18 0.00 0.66 0.00 0.00 57.16 57.29 3cpw n GLU 220 Cb 0.78 -1.49 -0.14 0.00 0.27 0.00 0.00 31.44 30.86 3cpw n GLU 220 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3cpw h ALA 221 N 3.45 0.34 -0.23 4.31 0.00 -1.24 -3.14 119.26 122.74 3cpw h ALA 221 Ca 0.00 -1.20 -0.03 0.00 0.00 0.00 0.00 54.91 53.67 3cpw h ALA 221 Cb 0.52 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3cpw h ALA 221 CO 0.00 1.20 0.02 1.49 0.00 0.00 0.00 179.25 181.96 3cpw h GLU 222 N 0.07 0.40 0.00 0.00 4.81 -1.58 0.17 114.58 118.45 3cpw h GLU 222 Ca -0.30 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 3cpw h GLU 222 Cb 2.03 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.37 3cpw h GLU 222 CO 0.14 0.56 0.00 -0.44 -0.73 0.00 0.00 179.01 178.54 3cpw h ASP 223 N 0.18 0.00 -0.59 1.04 3.32 -1.63 0.10 116.42 118.84 3cpw h ASP 223 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3cpw h ASP 223 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3cpw h ASP 223 CO 0.01 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 3cpw n ALA 224 N -1.82 2.39 -1.50 3.45 0.00 -0.80 -4.94 120.51 117.29 3cpw n ALA 224 Ca 0.00 -1.17 -0.11 0.00 0.00 0.00 0.00 53.44 52.15 3cpw n ALA 224 Cb 0.13 -0.90 -0.04 0.00 0.00 0.00 0.00 19.45 18.65 3cpw n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cpw n GLY 225 N 1.58 0.98 3.71 0.00 0.00 0.02 -4.59 105.19 106.90 3cpw n GLY 225 Ca 0.22 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 3cpw n GLY 225 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cpw s ILE 226 N -2.44 4.90 0.35 -0.61 1.01 0.53 -4.46 121.20 120.47 3cpw s ILE 226 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 60.65 60.48 3cpw s ILE 226 Cb 0.00 -3.16 -0.09 0.00 0.01 0.00 0.00 42.46 39.21 3cpw s ILE 226 CO 0.00 0.53 0.79 -0.60 0.00 0.00 0.00 174.94 175.66 3cpw s ARG 227 N -0.25 4.07 -0.29 2.79 3.52 -1.26 -3.96 118.95 123.58 3cpw s ARG 227 Ca 0.08 0.80 -0.01 0.00 -0.13 0.00 0.00 55.73 56.47 3cpw s ARG 227 Cb -0.12 -2.39 0.05 0.00 -1.56 0.00 0.00 34.95 30.93 3cpw s ARG 227 CO 0.01 0.12 -0.01 0.08 -0.81 0.00 0.00 175.30 174.69 3cpw s VAL 228 N -2.01 2.92 0.29 7.11 1.01 -1.26 -0.59 120.40 127.87 3cpw s VAL 228 Ca 0.56 -1.37 0.01 0.00 0.00 0.00 0.00 61.98 61.18 3cpw s VAL 228 Cb -0.10 -2.66 0.29 0.00 0.00 0.00 0.00 36.38 33.90 3cpw s VAL 228 CO 0.16 -0.07 1.86 -0.07 0.00 0.00 0.00 175.10 176.98 3cpw h LEU 229 N 7.98 0.92 -7.10 3.92 3.38 -1.60 -3.25 115.31 119.57 3cpw h LEU 229 Ca -0.22 0.03 -0.67 0.00 0.09 0.00 0.00 57.88 57.11 3cpw h LEU 229 Cb 1.06 -0.16 -0.38 0.00 0.09 0.00 0.00 40.66 41.28 3cpw h LEU 229 CO 0.53 0.53 -0.25 -0.46 0.09 0.00 0.00 178.44 178.88 3cpw n ASN 230 N -4.57 3.91 -4.87 -0.43 6.94 -1.26 -5.08 115.26 109.91 3cpw n ASN 230 Ca 0.17 -3.21 -0.31 0.00 -0.02 0.00 0.00 54.58 51.22 3cpw n ASN 230 Cb 0.31 -0.93 -0.02 0.00 -2.36 0.00 0.00 39.78 36.78 3cpw n ASN 230 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 3cpw s PRO 231 N -1.60 3.75 -0.07 -0.53 0.04 -1.23 -4.79 135.00 130.57 3cpw s PRO 231 Ca 0.28 0.69 -0.23 0.00 0.04 0.00 0.00 61.00 61.78 3cpw s PRO 231 Cb -0.03 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 3cpw s PRO 231 CO -0.12 -0.30 0.70 0.99 0.04 0.00 0.00 177.00 178.31 3cpw s THR 232 N -2.75 5.05 -0.36 1.26 2.01 -1.26 -4.87 115.64 114.72 3cpw s THR 232 Ca 0.55 1.43 -0.18 0.00 0.31 0.00 0.00 61.69 63.80 3cpw s THR 232 Cb -0.10 -4.04 -0.00 0.00 0.01 0.00 0.00 72.50 68.37 3cpw s THR 232 CO 0.40 0.25 0.48 -0.31 -0.69 0.00 0.00 174.62 174.75 3cpw s TYR 233 N 0.81 3.18 0.18 4.92 1.51 -1.26 -2.13 117.35 124.56 3cpw s TYR 233 Ca 0.37 0.08 0.05 0.00 -1.01 0.00 0.00 57.07 56.57 3cpw s TYR 233 Cb -0.18 -2.89 -0.04 0.00 -0.11 0.00 0.00 41.96 38.74 3cpw s TYR 233 CO 0.18 -0.55 0.17 0.08 -1.11 0.00 0.00 175.55 174.32 3cpw s VAL 234 N 2.32 4.60 -0.32 0.71 1.01 -0.37 -4.81 120.40 123.54 3cpw s VAL 234 Ca 0.17 -1.09 -0.22 0.00 0.00 0.00 0.00 61.98 60.84 3cpw s VAL 234 Cb -0.16 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 32.84 3cpw s VAL 234 CO 0.13 -0.16 0.69 -1.61 0.00 0.00 0.00 175.10 174.16 3cpw s GLU 235 N -3.28 3.87 0.00 2.72 8.01 -1.26 -0.53 118.70 128.22 3cpw s GLU 235 Ca 0.32 0.34 0.00 0.00 0.01 0.00 0.00 54.97 55.64 3cpw s GLU 235 Cb -0.10 -3.75 0.00 0.00 -4.31 0.00 0.00 34.13 25.97 3cpw s GLU 235 CO 0.24 -0.66 0.35 0.28 0.01 0.00 0.00 175.26 175.48