#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s72 s GLU 96 N 0.00 1.17 0.10 -2.82 -1.05 -1.19 -4.92 118.70 110.00 1s72 s GLU 96 Ca 0.00 -1.53 -0.30 0.00 -0.15 0.00 0.00 54.97 52.99 1s72 s GLU 96 Cb 0.00 -0.68 -0.06 0.00 -0.44 0.00 0.00 34.13 32.95 1s72 s GLU 96 CO 0.00 0.04 1.04 -0.51 0.95 0.00 0.00 175.26 176.78 1s72 s LEU 97 N -3.23 4.45 -0.02 1.83 1.43 -1.26 -0.85 118.68 121.04 1s72 s LEU 97 Ca 0.21 1.88 0.01 0.00 -1.03 0.00 0.00 54.13 55.20 1s72 s LEU 97 Cb 0.03 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.67 1s72 s LEU 97 CO 0.04 -0.21 -0.04 -1.10 0.23 0.00 0.00 176.35 175.27 1s72 s GLN 98 N 0.27 0.53 0.31 1.70 -1.52 0.55 -4.93 119.66 116.58 1s72 s GLN 98 Ca 0.50 -0.12 -0.22 0.00 -1.95 0.00 0.00 55.36 53.57 1s72 s GLN 98 Cb -0.25 -0.56 -0.09 0.00 -0.22 0.00 0.00 33.01 31.88 1s72 s GLN 98 CO 0.31 0.01 0.85 0.00 -0.25 0.00 0.00 175.29 176.22 1s72 s ALA 99 N 0.39 3.26 0.57 6.09 0.00 -1.26 -1.18 121.76 129.62 1s72 s ALA 99 Ca -0.04 0.34 -0.13 0.00 0.00 0.00 0.00 51.96 52.13 1s72 s ALA 99 Cb -0.08 -3.02 -0.05 0.00 0.00 0.00 0.00 23.12 19.97 1s72 s ALA 99 CO -0.00 0.23 0.99 1.03 0.00 0.00 0.00 175.76 178.01 1s72 s ARG 100 N -2.29 3.72 0.03 0.00 0.52 -0.83 -4.93 118.95 115.17 1s72 s ARG 100 Ca 0.50 0.79 0.00 0.00 -0.52 0.00 0.00 55.73 56.50 1s72 s ARG 100 Cb -0.16 -2.12 0.00 0.00 0.52 0.00 0.00 34.95 33.19 1s72 s ARG 100 CO 0.21 -0.43 0.00 0.41 0.02 0.00 0.00 175.30 175.50 1s72 n GLY 101 N -2.27 -1.40 2.61 -3.53 0.00 -1.26 -4.55 105.19 94.79 1s72 n GLY 101 Ca 0.06 -1.51 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 1s72 n GLY 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s72 n LEU 102 N -1.41 7.23 -0.27 0.99 4.77 -1.26 -4.75 117.00 122.29 1s72 n LEU 102 Ca 0.00 -4.07 0.05 0.00 -0.03 0.00 0.00 56.01 51.96 1s72 n LEU 102 Cb 0.05 -1.56 0.27 0.00 -2.33 0.00 0.00 43.42 39.85 1s72 n LEU 102 CO 0.00 1.31 1.24 0.74 -1.33 0.00 0.00 177.39 179.35 1s72 h THR 103 N 3.67 1.05 0.00 -5.08 2.02 -1.91 -2.28 112.91 110.38 1s72 h THR 103 Ca 0.66 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.52 1s72 h THR 103 Cb 0.50 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1s72 h THR 103 CO 1.84 0.17 -0.17 -0.62 0.37 0.00 0.00 175.52 177.11 1s72 n GLU 104 N -4.49 0.04 -1.68 6.66 -0.58 -1.26 -4.93 120.64 114.40 1s72 n GLU 104 Ca 0.13 0.02 -0.43 0.00 -0.42 0.00 0.00 57.16 56.46 1s72 n GLU 104 Cb 0.21 -1.53 -0.01 0.00 -0.57 0.00 0.00 31.44 29.54 1s72 n GLU 104 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1s72 n LYS 105 N -1.59 2.03 -4.35 3.49 4.81 -0.86 -5.01 118.16 116.68 1s72 n LYS 105 Ca 0.06 0.71 -0.27 0.00 -0.87 0.00 0.00 58.31 57.95 1s72 n LYS 105 Cb 0.35 -2.28 -0.13 0.00 0.02 0.00 0.00 35.03 33.00 1s72 n LYS 105 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1s72 s THR 106 N -0.97 2.04 0.48 3.15 2.01 -1.26 -5.04 115.64 116.05 1s72 s THR 106 Ca 0.57 -1.71 -0.04 0.00 0.31 0.00 0.00 61.69 60.81 1s72 s THR 106 Cb -0.59 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 1s72 s THR 106 CO 0.61 -0.01 0.77 -2.16 -0.69 0.00 0.00 174.62 173.14 1s72 s PRO 107 N -2.10 3.42 -0.24 4.92 0.04 -1.26 -4.99 135.00 134.79 1s72 s PRO 107 Ca 0.12 0.07 -0.08 0.00 0.04 0.00 0.00 61.00 61.15 1s72 s PRO 107 Cb -0.10 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 32.00 1s72 s PRO 107 CO 0.06 -0.24 0.10 0.16 0.04 0.00 0.00 177.00 177.12 1s72 s ASP 108 N -4.13 5.56 0.12 6.66 -4.77 -1.19 -5.03 116.67 113.88 1s72 s ASP 108 Ca 0.48 -0.06 0.10 0.00 -3.30 0.00 0.00 52.55 49.77 1s72 s ASP 108 Cb -0.10 -2.00 -0.04 0.00 -1.09 0.00 0.00 42.92 39.69 1s72 s ASP 108 CO 0.44 0.02 -0.26 -0.76 0.70 0.00 0.00 175.17 175.31 1s72 s LEU 109 N 1.29 2.30 1.05 2.11 1.43 -1.26 -4.89 118.68 120.71 1s72 s LEU 109 Ca 0.06 -0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 52.32 1s72 s LEU 109 Cb -0.15 -1.16 0.21 0.00 0.03 0.00 0.00 46.19 45.12 1s72 s LEU 109 CO 0.05 0.16 1.00 -1.54 0.23 0.00 0.00 176.35 176.25 1s72 n SER 110 N 1.02 -0.87 -0.24 2.29 3.41 -1.26 -4.73 113.62 113.24 1s72 n SER 110 Ca -0.18 0.12 -0.06 0.00 -0.26 0.00 0.00 58.87 58.48 1s72 n SER 110 Cb 0.53 -1.34 0.04 0.00 -0.26 0.00 0.00 64.21 63.18 1s72 n SER 110 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1s72 h ASP 111 N -2.27 0.88 -0.47 4.04 3.32 -2.00 -2.41 116.42 117.51 1s72 h ASP 111 Ca -0.52 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 56.35 1s72 h ASP 111 Cb 1.30 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 1s72 h ASP 111 CO 0.44 0.77 0.15 -0.08 -1.72 0.00 0.00 179.24 178.80 1s72 h GLU 112 N 0.93 0.79 -0.33 3.56 4.57 -1.99 -1.85 114.58 120.26 1s72 h GLU 112 Ca 0.23 -0.15 -0.10 0.00 -1.18 0.00 0.00 59.36 58.16 1s72 h GLU 112 Cb 0.12 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1s72 h GLU 112 CO -0.03 0.70 -0.18 -0.44 -1.18 0.00 0.00 179.01 177.88 1s72 h ASP 113 N 0.77 0.73 0.41 1.04 5.19 -1.82 -1.31 116.42 121.44 1s72 h ASP 113 Ca 0.18 -0.42 -0.05 0.00 -0.62 0.00 0.00 57.03 56.12 1s72 h ASP 113 Cb 0.25 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 1s72 h ASP 113 CO -0.01 0.99 -0.24 0.00 -3.12 0.00 0.00 179.24 176.86 1s72 h ALA 114 N 0.77 1.34 -0.15 3.45 0.00 -1.24 0.21 119.26 123.63 1s72 h ALA 114 Ca 0.07 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 1s72 h ALA 114 Cb 0.72 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1s72 h ALA 114 CO 0.05 0.30 -0.52 -0.09 0.00 0.00 0.00 179.25 178.99 1s72 h ARG 115 N 0.00 0.61 -0.05 0.00 2.43 -1.09 -1.08 114.38 115.19 1s72 h ARG 115 Ca -0.00 -0.46 -0.14 0.00 -0.81 0.00 0.00 59.98 58.57 1s72 h ARG 115 Cb 0.51 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1s72 h ARG 115 CO 0.03 1.08 -0.59 -0.07 -1.51 0.00 0.00 179.97 178.91 1s72 h LEU 116 N 0.26 0.20 -0.42 3.80 3.38 -0.75 -0.93 115.31 120.86 1s72 h LEU 116 Ca -0.02 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 1s72 h LEU 116 Cb 1.15 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1s72 h LEU 116 CO 0.11 0.74 -0.30 0.25 0.09 0.00 0.00 178.44 179.34 1s72 h LEU 117 N 0.13 0.99 -1.12 1.67 5.85 -0.56 -1.77 115.31 120.50 1s72 h LEU 117 Ca -0.00 -0.44 -0.07 0.00 0.84 0.00 0.00 57.88 58.21 1s72 h LEU 117 Cb 1.07 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1s72 h LEU 117 CO 0.09 1.21 -0.15 0.74 -0.34 0.00 0.00 178.44 179.98 1s72 h THR 118 N 0.77 1.23 0.25 1.05 2.02 -0.95 -2.50 112.91 114.78 1s72 h THR 118 Ca 0.08 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.22 1s72 h THR 118 Cb 0.89 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 1s72 h THR 118 CO 0.08 0.33 -0.12 -0.61 0.37 0.00 0.00 175.52 175.57 1s72 h GLN 119 N 0.40 -0.32 -0.62 6.66 4.15 -0.81 -1.53 115.11 123.04 1s72 h GLN 119 Ca 0.07 0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.63 1s72 h GLN 119 Cb 0.51 0.07 -0.09 0.00 0.21 0.00 0.00 27.48 28.18 1s72 h GLN 119 CO 0.03 -0.04 0.14 -0.09 -1.93 0.00 0.00 178.83 176.94 1s72 h ARG 120 N -0.59 0.26 -0.04 1.69 2.43 -1.25 0.45 114.38 117.33 1s72 h ARG 120 Ca -0.03 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 1s72 h ARG 120 Cb 0.43 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1s72 h ARG 120 CO 0.06 0.17 -0.30 1.25 -1.51 0.00 0.00 179.97 179.63 1s72 h HIS 121 N 0.27 0.09 0.04 2.20 2.76 -1.38 -1.01 115.15 118.12 1s72 h HIS 121 Ca 0.33 -0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.40 1s72 h HIS 121 Cb 0.50 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.44 1s72 h HIS 121 CO -0.25 0.38 -0.41 -0.09 -1.30 0.00 0.00 177.93 176.26 1s72 h ARG 122 N 0.07 0.09 -0.06 5.26 2.43 0.19 -3.38 114.38 118.98 1s72 h ARG 122 Ca 0.01 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 1s72 h ARG 122 Cb 0.58 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1s72 h ARG 122 CO 0.04 1.07 -0.04 0.28 -1.51 0.00 0.00 179.97 179.81 1s72 h VAL 123 N -0.80 1.35 -0.28 0.20 2.07 -0.24 -3.49 116.25 115.06 1s72 h VAL 123 Ca -0.09 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.32 1s72 h VAL 123 Cb 1.24 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1s72 h VAL 123 CO 0.02 0.31 0.00 0.61 0.02 0.00 0.00 177.57 178.53 1s72 n GLY 124 N 0.11 0.52 3.60 2.17 0.00 -0.39 -4.97 105.19 106.23 1s72 n GLY 124 Ca -0.07 -0.82 -0.08 0.00 0.00 0.00 0.00 46.02 45.05 1s72 n GLY 124 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s72 s LYS 125 N 0.00 1.19 0.79 1.61 -2.85 -1.26 -5.05 119.74 114.16 1s72 s LYS 125 Ca 0.00 -0.55 -0.11 0.00 -1.00 0.00 0.00 55.97 54.31 1s72 s LYS 125 Cb 0.00 0.48 0.06 0.00 -2.06 0.00 0.00 37.83 36.31 1s72 s LYS 125 CO 0.00 -0.53 1.09 -1.25 0.10 0.00 0.00 175.35 174.75 1s72 s PRO 126 N -3.45 2.16 0.48 1.78 0.04 -1.26 -4.93 135.00 129.82 1s72 s PRO 126 Ca 0.07 0.83 0.13 0.00 0.04 0.00 0.00 61.00 62.06 1s72 s PRO 126 Cb -0.02 -1.91 1.11 0.00 0.04 0.00 0.00 34.50 33.72 1s72 s PRO 126 CO -0.05 -1.61 2.11 1.96 0.04 0.00 0.00 177.00 179.45 1s72 h GLN 127 N -1.09 0.21 -6.15 4.56 4.20 -2.02 -3.46 115.11 111.36 1s72 h GLN 127 Ca -0.46 -0.01 -0.44 0.00 0.06 0.00 0.00 58.65 57.79 1s72 h GLN 127 Cb 1.25 -0.05 0.02 0.00 0.30 0.00 0.00 27.48 29.01 1s72 h GLN 127 CO 0.57 0.14 -0.78 1.19 -0.67 0.00 0.00 178.83 179.28 1s72 n PHE 128 N -4.51 -2.23 -3.35 2.96 0.99 -1.26 -4.98 117.46 105.08 1s72 n PHE 128 Ca -0.01 0.90 -0.32 0.00 -0.00 0.00 0.00 57.45 58.02 1s72 n PHE 128 Cb 0.08 -4.30 -0.05 0.00 -1.00 0.00 0.00 39.48 34.21 1s72 n PHE 128 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 1s72 s ASN 129 N -3.73 6.64 0.54 4.37 0.01 -1.26 -4.43 114.94 117.08 1s72 s ASN 129 Ca 0.39 0.98 -0.21 0.00 -0.71 0.00 0.00 52.86 53.31 1s72 s ASN 129 Cb -0.19 -2.25 -0.06 0.00 0.41 0.00 0.00 41.25 39.15 1s72 s ASN 129 CO 0.81 -0.11 1.12 -1.14 -1.51 0.00 0.00 177.10 176.27 1s72 n ARG 130 N -0.23 1.31 -1.68 -0.60 0.63 -0.28 -4.88 116.66 110.93 1s72 n ARG 130 Ca 0.01 0.49 -0.45 0.00 -0.92 0.00 0.00 57.85 56.98 1s72 n ARG 130 Cb 0.53 -2.29 -0.03 0.00 0.45 0.00 0.00 32.46 31.12 1s72 n ARG 130 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1s72 n GLN 131 N -0.72 2.16 -1.44 -0.14 10.64 -1.26 -2.30 117.38 124.32 1s72 n GLN 131 Ca 0.11 0.77 -0.16 0.00 -1.83 0.00 0.00 57.00 55.90 1s72 n GLN 131 Cb 0.44 -2.47 -0.07 0.00 -0.86 0.00 0.00 30.24 27.28 1s72 n GLN 131 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1s72 n ASP 132 N 2.48 -5.41 0.23 2.61 8.00 -1.26 -4.82 116.55 118.39 1s72 n ASP 132 Ca 0.13 0.39 0.13 0.00 0.71 0.00 0.00 54.79 56.14 1s72 n ASP 132 Cb 0.32 -4.40 0.75 0.00 -0.02 0.00 0.00 41.12 37.77 1s72 n ASP 132 CO 0.00 0.00 0.00 1.12 -0.39 0.00 0.00 177.20 177.93 1s72 h HIS 133 N 0.00 0.00 -0.00 1.24 2.07 -1.72 -0.37 115.15 116.38 1s72 h HIS 133 Ca -0.32 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.20 1s72 h HIS 133 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 1s72 h HIS 133 CO 0.57 0.00 -0.01 -2.39 -3.07 0.00 0.00 177.93 173.04 1s72 n HIS 134 N -4.21 0.00 0.37 6.12 1.44 -1.26 -3.50 115.22 114.18 1s72 n HIS 134 Ca -0.01 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.81 1s72 n HIS 134 Cb 0.18 -0.45 -0.06 0.00 0.12 0.00 0.00 29.99 29.78 1s72 n HIS 134 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1s72 n LYS 135 N -1.45 0.42 -3.66 -1.40 5.02 -0.15 -4.89 118.16 112.04 1s72 n LYS 135 Ca 0.09 -0.05 -0.18 0.00 -2.02 0.00 0.00 58.31 56.15 1s72 n LYS 135 Cb 0.32 -1.59 -0.16 0.00 -0.02 0.00 0.00 35.03 33.58 1s72 n LYS 135 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1s72 s LYS 136 N -3.30 0.01 0.43 1.97 2.47 -1.21 -5.03 119.74 115.08 1s72 s LYS 136 Ca -0.00 0.48 0.12 0.00 -1.56 0.00 0.00 55.97 55.01 1s72 s LYS 136 Cb 0.14 -0.42 0.98 0.00 -1.46 0.00 0.00 37.83 37.07 1s72 s LYS 136 CO 0.84 -0.34 2.00 0.87 0.16 0.00 0.00 175.35 178.88 1s72 h LYS 137 N 8.39 0.44 0.00 4.03 1.57 -1.90 0.10 116.57 129.19 1s72 h LYS 137 Ca -0.13 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1s72 h LYS 137 Cb 1.12 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1s72 h LYS 137 CO 0.15 0.29 0.00 2.89 -0.57 0.00 0.00 179.45 182.21 1s72 n ARG 138 N -4.47 0.11 -3.66 3.15 1.85 -1.26 -4.45 116.66 107.93 1s72 n ARG 138 Ca 0.08 0.18 -0.39 0.00 -1.00 0.00 0.00 57.85 56.72 1s72 n ARG 138 Cb 0.29 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 30.09 1s72 n ARG 138 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1s72 s VAL 139 N -2.79 4.44 0.77 8.89 1.01 0.02 -5.08 120.40 127.65 1s72 s VAL 139 Ca 0.12 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 1s72 s VAL 139 Cb 0.11 -3.35 0.09 0.00 0.00 0.00 0.00 36.38 33.23 1s72 s VAL 139 CO 0.28 -0.04 1.10 -0.94 0.00 0.00 0.00 175.10 175.50 1s72 s SER 140 N 1.56 4.49 0.39 3.32 1.04 -1.26 -4.63 113.70 118.61 1s72 s SER 140 Ca 0.03 0.48 0.18 0.00 0.48 0.00 0.00 55.95 57.12 1s72 s SER 140 Cb -0.18 -0.99 0.81 0.00 0.10 0.00 0.00 66.02 65.75 1s72 s SER 140 CO 0.06 -1.84 1.82 0.00 0.98 0.00 0.00 173.24 174.25 1s72 h THR 141 N -0.86 1.00 -1.50 2.02 1.03 -1.92 -3.42 112.91 109.26 1s72 h THR 141 Ca -0.44 -1.31 -0.72 0.00 -0.01 0.00 0.00 66.41 63.93 1s72 h THR 141 Cb 1.31 1.76 0.04 0.00 -1.07 0.00 0.00 68.15 70.19 1s72 h THR 141 CO 0.58 0.34 0.48 -0.24 -0.01 0.00 0.00 175.52 176.67 1s72 n SER 142 N -3.76 1.46 -4.75 0.00 2.88 -1.26 -1.13 113.62 107.06 1s72 n SER 142 Ca -0.01 1.12 -0.41 0.00 -1.33 0.00 0.00 58.87 58.24 1s72 n SER 142 Cb 0.43 -1.12 -0.02 0.00 -0.75 0.00 0.00 64.21 62.76 1s72 n SER 142 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 1s72 s TRP 143 N 1.09 2.94 -0.01 0.66 -0.11 -1.26 -4.23 118.94 118.02 1s72 s TRP 143 Ca 0.89 0.94 0.00 0.00 1.22 0.00 0.00 56.10 59.15 1s72 s TRP 143 Cb -1.06 -3.90 0.01 0.00 -1.50 0.00 0.00 33.47 27.02 1s72 s TRP 143 CO 0.54 -2.97 0.01 1.03 -4.62 0.00 0.00 176.95 170.94 1s72 s ARG 144 N -0.37 -0.02 0.21 5.86 1.81 -1.26 -4.97 118.95 120.22 1s72 s ARG 144 Ca 0.61 0.09 -0.31 0.00 -1.72 0.00 0.00 55.73 54.39 1s72 s ARG 144 Cb -0.44 -0.12 -0.10 0.00 -0.45 0.00 0.00 34.95 33.84 1s72 s ARG 144 CO 0.44 -0.08 1.56 0.21 -0.68 0.00 0.00 175.30 176.76 1s72 s LYS 145 N 0.50 4.20 0.03 3.54 2.20 -1.26 -4.69 119.74 124.26 1s72 s LYS 145 Ca -0.04 2.41 -0.30 0.00 -0.36 0.00 0.00 55.97 57.68 1s72 s LYS 145 Cb -0.06 -3.11 -0.06 0.00 -1.51 0.00 0.00 37.83 33.09 1s72 s LYS 145 CO -0.01 -0.59 1.35 -1.25 -0.36 0.00 0.00 175.35 174.49 1s72 s PRO 146 N 0.57 4.32 -0.01 4.03 0.04 -1.26 -4.89 135.00 137.80 1s72 s PRO 146 Ca 0.67 1.94 0.12 0.00 0.04 0.00 0.00 61.00 63.77 1s72 s PRO 146 Cb -0.45 -3.46 -0.17 0.00 0.04 0.00 0.00 34.50 30.46 1s72 s PRO 146 CO 0.36 -0.48 0.33 0.54 0.04 0.00 0.00 177.00 177.78 1s72 n ARG 147 N 4.81 1.04 -1.55 4.56 5.12 -1.26 -4.75 116.66 124.63 1s72 n ARG 147 Ca 0.12 -0.08 -0.48 0.00 -1.93 0.00 0.00 57.85 55.47 1s72 n ARG 147 Cb 0.44 -1.23 -0.04 0.00 -1.16 0.00 0.00 32.46 30.47 1s72 n ARG 147 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1s72 n GLY 148 N 1.68 -0.25 0.24 -0.13 0.00 -1.26 -4.82 105.19 100.64 1s72 n GLY 148 Ca -0.01 0.48 0.05 0.00 0.00 0.00 0.00 46.02 46.54 1s72 n GLY 148 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1s72 h GLN 149 N 2.77 0.09 -0.02 1.61 1.08 -2.03 -2.69 115.11 115.93 1s72 h GLN 149 Ca -0.41 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 56.77 1s72 h GLN 149 Cb 1.36 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.77 1s72 h GLN 149 CO 0.66 0.22 -0.17 1.28 -0.95 0.00 0.00 178.83 179.87 1s72 n LEU 150 N -4.35 2.29 -4.66 1.46 4.77 -1.26 -4.97 117.00 110.28 1s72 n LEU 150 Ca -0.02 -0.90 -0.59 0.00 -0.03 0.00 0.00 56.01 54.48 1s72 n LEU 150 Cb 0.22 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.23 1s72 n LEU 150 CO 0.36 0.41 1.08 -0.24 -1.33 0.00 0.00 177.39 177.67 1s72 n SER 151 N 0.60 1.60 -0.20 -1.43 2.88 -1.01 -4.86 113.62 111.19 1s72 n SER 151 Ca 0.10 1.12 -0.09 0.00 -1.33 0.00 0.00 58.87 58.68 1s72 n SER 151 Cb 0.46 -1.06 0.02 0.00 -0.75 0.00 0.00 64.21 62.88 1s72 n SER 151 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1s72 h LYS 152 N 5.48 0.98 -0.50 -1.46 1.79 -1.94 -1.80 116.57 119.10 1s72 h LYS 152 Ca -0.47 -0.28 -0.07 0.00 -2.18 0.00 0.00 60.65 57.65 1s72 h LYS 152 Cb 1.35 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.88 1s72 h LYS 152 CO 0.88 0.94 0.03 0.37 -1.08 0.00 0.00 179.45 180.59 1s72 h GLN 153 N 0.87 0.87 -0.11 3.15 4.15 -1.88 -2.31 115.11 119.85 1s72 h GLN 153 Ca 0.17 -0.26 -0.02 0.00 0.77 0.00 0.00 58.65 59.31 1s72 h GLN 153 Cb 0.45 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 1s72 h GLN 153 CO 0.02 0.89 -0.03 -0.09 -1.93 0.00 0.00 178.83 177.68 1s72 h ARG 154 N 0.74 0.16 -0.00 1.69 2.43 -1.80 -1.27 114.38 116.33 1s72 h ARG 154 Ca 0.15 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1s72 h ARG 154 Cb 0.47 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1s72 h ARG 154 CO 0.02 0.21 -0.09 0.54 -1.51 0.00 0.00 179.97 179.14 1s72 n ARG 155 N -4.40 0.45 -1.79 0.20 1.74 -0.70 -4.92 116.66 107.24 1s72 n ARG 155 Ca -0.01 -0.11 -0.01 0.00 -0.77 0.00 0.00 57.85 56.96 1s72 n ARG 155 Cb 0.17 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.11 1s72 n ARG 155 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s72 n GLY 156 N 1.33 0.36 3.71 -0.13 0.00 -0.48 -5.01 105.19 104.98 1s72 n GLY 156 Ca 0.13 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 1s72 n GLY 156 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s72 s ILE 157 N -2.03 3.39 0.12 -0.61 1.01 -0.90 -4.91 121.20 117.26 1s72 s ILE 157 Ca 0.00 0.99 -0.33 0.00 0.00 0.00 0.00 60.65 61.31 1s72 s ILE 157 Cb 0.00 -3.63 -0.12 0.00 0.01 0.00 0.00 42.46 38.72 1s72 s ILE 157 CO 0.00 0.07 1.74 1.17 0.00 0.00 0.00 174.94 177.92 1s72 n LYS 158 N 4.07 2.48 0.00 2.79 4.81 -1.26 -2.10 118.16 128.95 1s72 n LYS 158 Ca 0.11 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.45 1s72 n LYS 158 Cb 0.43 -2.74 0.00 0.00 0.02 0.00 0.00 35.03 32.74 1s72 n LYS 158 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1s72 n GLY 159 N 3.93 0.44 1.22 3.14 0.00 -1.26 -4.93 105.19 107.73 1s72 n GLY 159 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 1s72 n GLY 159 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s72 n LYS 160 N -1.60 2.78 0.00 1.61 4.76 -0.89 -5.04 118.16 119.79 1s72 n LYS 160 Ca 0.00 -2.24 0.00 0.00 -2.87 0.00 0.00 58.31 53.20 1s72 n LYS 160 Cb 0.00 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 31.58 1s72 n LYS 160 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s72 n GLY 161 N 1.24 -0.13 3.79 0.72 0.00 -1.26 -4.66 105.19 104.89 1s72 n GLY 161 Ca 0.21 -1.49 -0.34 0.00 0.00 0.00 0.00 46.02 44.39 1s72 n GLY 161 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s72 s ASP 162 N -1.24 5.95 -0.15 1.61 1.01 -1.26 -4.94 116.67 117.66 1s72 s ASP 162 Ca 0.00 2.01 -0.07 0.00 0.71 0.00 0.00 52.55 55.21 1s72 s ASP 162 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 1s72 s ASP 162 CO 0.00 -1.05 0.10 -0.89 0.21 0.00 0.00 175.17 173.53 1s72 s THR 163 N -1.98 5.14 0.15 -1.27 2.01 -1.26 -4.86 115.64 113.57 1s72 s THR 163 Ca 0.69 0.08 -0.34 0.00 0.31 0.00 0.00 61.69 62.43 1s72 s THR 163 Cb -0.19 -3.27 -0.14 0.00 0.01 0.00 0.00 72.50 68.91 1s72 s THR 163 CO 0.26 0.54 1.56 0.52 -0.69 0.00 0.00 174.62 176.82 1s72 n VAL 164 N 2.69 0.00 -3.75 3.82 0.31 -1.26 -4.97 118.33 115.16 1s72 n VAL 164 Ca -0.18 -0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.02 1s72 n VAL 164 Cb 0.54 -1.49 -0.08 0.00 -0.91 0.00 0.00 33.84 31.90 1s72 n VAL 164 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1s72 s GLU 165 N 0.89 0.73 0.60 5.55 2.02 -1.26 -5.04 118.70 122.19 1s72 s GLU 165 Ca 0.79 -0.30 0.35 0.00 0.02 0.00 0.00 54.97 55.83 1s72 s GLU 165 Cb -0.70 0.32 1.94 0.00 0.10 0.00 0.00 34.13 35.79 1s72 s GLU 165 CO 0.39 -0.21 2.25 0.00 0.02 0.00 0.00 175.26 177.70 1s72 h ALA 166 N 3.61 1.26 0.00 5.21 0.00 -2.02 -2.00 119.26 125.32 1s72 h ALA 166 Ca -0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1s72 h ALA 166 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1s72 h ALA 166 CO 0.42 0.03 0.00 0.78 0.00 0.00 0.00 179.25 180.48 1s72 h GLY 167 N 0.30 0.00 0.14 0.00 0.00 -1.98 -1.62 103.07 99.92 1s72 h GLY 167 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1s72 h GLY 167 CO 0.00 0.00 -0.12 0.69 0.00 0.00 0.00 176.54 177.11 1s72 n PHE 168 N -2.58 0.00 -1.70 5.60 3.01 -0.75 -4.96 117.46 116.08 1s72 n PHE 168 Ca -0.02 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.05 1s72 n PHE 168 Cb 0.07 -0.08 0.04 0.00 -0.01 0.00 0.00 39.48 39.50 1s72 n PHE 168 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1s72 n ARG 169 N -0.42 1.54 -1.83 -1.08 5.12 -0.61 -5.00 116.66 114.38 1s72 n ARG 169 Ca 0.16 0.56 -0.31 0.00 -1.93 0.00 0.00 57.85 56.33 1s72 n ARG 169 Cb 0.32 -2.42 0.02 0.00 -1.16 0.00 0.00 32.46 29.23 1s72 n ARG 169 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1s72 s SER 170 N -0.91 6.03 0.26 0.55 1.04 -1.26 -4.97 113.70 114.45 1s72 s SER 170 Ca 0.70 1.42 -0.30 0.00 0.48 0.00 0.00 55.95 58.24 1s72 s SER 170 Cb -0.44 -2.42 -0.13 0.00 0.10 0.00 0.00 66.02 63.13 1s72 s SER 170 CO 0.51 -1.00 1.38 -2.65 0.98 0.00 0.00 173.24 172.46 1s72 n PRO 171 N -2.83 2.05 -0.16 4.02 -0.02 -1.26 -4.77 135.00 132.03 1s72 n PRO 171 Ca 0.06 0.73 -0.02 0.00 -2.02 0.00 0.00 63.50 62.25 1s72 n PRO 171 Cb 0.54 -2.36 0.05 0.00 -0.02 0.00 0.00 33.50 31.71 1s72 n PRO 171 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1s72 h THR 172 N 2.92 0.55 -0.02 3.45 2.02 -1.97 -0.56 112.91 119.30 1s72 h THR 172 Ca -0.45 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 66.72 1s72 h THR 172 Cb 1.28 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1s72 h THR 172 CO 0.73 0.01 0.06 0.00 0.37 0.00 0.00 175.52 176.69 1s72 h ALA 173 N 1.48 1.26 0.00 6.16 0.00 -2.00 -3.14 119.26 123.01 1s72 h ALA 173 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1s72 h ALA 173 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1s72 h ALA 173 CO -0.47 -0.07 -0.30 0.28 0.00 0.00 0.00 179.25 178.69 1s72 n VAL 174 N -3.32 0.00 -1.69 0.00 0.31 -0.96 -5.01 118.33 107.66 1s72 n VAL 174 Ca -0.02 -0.32 -0.57 0.00 -0.01 0.00 0.00 64.34 63.41 1s72 n VAL 174 Cb 0.14 0.83 -0.07 0.00 -0.91 0.00 0.00 33.84 33.83 1s72 n VAL 174 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1s72 n ARG 175 N -1.10 1.06 -0.04 5.55 0.63 -0.26 -1.05 116.66 121.46 1s72 n ARG 175 Ca 0.00 0.39 0.00 0.00 -0.92 0.00 0.00 57.85 57.32 1s72 n ARG 175 Cb 0.00 -2.05 0.00 0.00 0.45 0.00 0.00 32.46 30.86 1s72 n ARG 175 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1s72 n GLY 176 N 3.84 0.66 3.77 5.14 0.00 -1.26 -5.05 105.19 112.29 1s72 n GLY 176 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 1s72 n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s72 s LYS 177 N -0.78 4.50 0.71 1.61 1.02 -0.21 -4.67 119.74 121.91 1s72 s LYS 177 Ca 0.00 1.62 -0.16 0.00 0.02 0.00 0.00 55.97 57.44 1s72 s LYS 177 Cb 0.00 -2.94 0.02 0.00 -0.52 0.00 0.00 37.83 34.39 1s72 s LYS 177 CO 0.00 0.14 1.25 1.58 -0.92 0.00 0.00 175.35 177.39 1s72 n HIS 178 N 0.74 1.64 0.14 3.18 -0.00 -0.31 -4.81 115.22 115.80 1s72 n HIS 178 Ca 0.01 0.41 0.19 0.00 -0.00 0.00 0.00 57.72 58.34 1s72 n HIS 178 Cb 0.47 -2.20 0.74 0.00 -0.00 0.00 0.00 29.99 29.00 1s72 n HIS 178 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1s72 h PRO 179 N 0.01 0.00 0.00 1.57 0.13 -1.95 0.21 132.00 131.97 1s72 h PRO 179 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1s72 h PRO 179 Cb 1.33 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.46 1s72 h PRO 179 CO 0.50 0.00 -0.00 0.66 -0.23 0.00 0.00 178.00 178.93 1s72 h SER 180 N 0.00 0.00 0.00 1.44 4.64 -2.01 -3.46 113.55 114.15 1s72 h SER 180 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1s72 h SER 180 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1s72 h SER 180 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1s72 n GLY 181 N 0.17 1.05 3.80 -0.77 0.00 0.72 -4.59 105.19 105.57 1s72 n GLY 181 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1s72 n GLY 181 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s72 s PHE 182 N -2.10 2.97 -0.17 1.61 2.99 -1.26 -4.76 117.98 117.27 1s72 s PHE 182 Ca 0.00 1.56 -0.14 0.00 0.00 0.00 0.00 56.93 58.36 1s72 s PHE 182 Cb 0.00 -3.08 -0.05 0.00 0.00 0.00 0.00 43.02 39.90 1s72 s PHE 182 CO 0.00 -0.93 0.30 -1.21 -0.00 0.00 0.00 175.22 173.38 1s72 s GLU 183 N -3.35 4.24 0.38 0.44 0.41 -1.02 -1.16 118.70 118.64 1s72 s GLU 183 Ca 0.67 0.09 -0.23 0.00 -0.41 0.00 0.00 54.97 55.08 1s72 s GLU 183 Cb -0.17 -3.45 -0.10 0.00 -1.78 0.00 0.00 34.13 28.63 1s72 s GLU 183 CO 0.23 0.19 0.96 -1.21 -0.49 0.00 0.00 175.26 174.93 1s72 s GLU 184 N 0.62 4.37 -0.15 1.61 2.02 -1.26 -2.00 118.70 123.91 1s72 s GLU 184 Ca 0.16 1.25 -0.02 0.00 0.02 0.00 0.00 54.97 56.38 1s72 s GLU 184 Cb -0.13 -2.48 0.05 0.00 0.10 0.00 0.00 34.13 31.67 1s72 s GLU 184 CO 0.04 0.09 0.01 0.08 0.02 0.00 0.00 175.26 175.51 1s72 s VAL 185 N -1.89 0.55 0.08 2.63 1.01 -0.77 -4.93 120.40 117.07 1s72 s VAL 185 Ca 0.57 -0.36 -0.31 0.00 0.00 0.00 0.00 61.98 61.87 1s72 s VAL 185 Cb -0.14 -0.91 -0.07 0.00 0.00 0.00 0.00 36.38 35.25 1s72 s VAL 185 CO 0.19 -0.03 1.40 -0.60 0.00 0.00 0.00 175.10 176.06 1s72 s ARG 186 N 1.87 4.31 -0.05 2.72 6.06 -1.26 -1.42 118.95 131.17 1s72 s ARG 186 Ca 0.01 2.04 0.04 0.00 -2.50 0.00 0.00 55.73 55.32 1s72 s ARG 186 Cb -0.15 -3.37 -0.00 0.00 0.06 0.00 0.00 34.95 31.49 1s72 s ARG 186 CO -0.07 -0.48 -0.16 0.54 -2.50 0.00 0.00 175.30 172.62 1s72 s VAL 187 N 1.57 1.39 -0.05 7.11 0.11 0.01 -4.91 120.40 125.63 1s72 s VAL 187 Ca 0.64 -0.69 0.11 0.00 -2.93 0.00 0.00 61.98 59.12 1s72 s VAL 187 Cb -0.35 -1.21 -0.17 0.00 -1.53 0.00 0.00 36.38 33.12 1s72 s VAL 187 CO 0.29 0.40 0.26 1.41 -3.33 0.00 0.00 175.10 174.14 1s72 n HIS 188 N 3.26 0.00 -3.01 1.54 8.25 -1.26 -1.11 115.22 122.88 1s72 n HIS 188 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1s72 n HIS 188 Cb 0.53 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.40 1s72 n HIS 188 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1s72 n ASN 189 N -1.84 0.00 0.00 0.41 2.04 -1.26 -4.90 115.26 109.71 1s72 n ASN 189 Ca -0.02 -0.84 -0.12 0.00 -0.44 0.00 0.00 54.58 53.16 1s72 n ASN 189 Cb 0.28 0.00 0.01 0.00 -2.53 0.00 0.00 39.78 37.54 1s72 n ASN 189 CO 0.00 0.00 0.00 0.58 -0.44 0.00 0.00 177.26 177.40 1s72 h VAL 190 N 0.84 1.32 0.00 3.53 2.07 -1.96 -3.15 116.25 118.91 1s72 h VAL 190 Ca 0.00 -1.94 -0.02 0.00 0.82 0.00 0.00 66.70 65.56 1s72 h VAL 190 Cb 0.00 1.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1s72 h VAL 190 CO 0.00 0.60 -0.10 0.44 0.02 0.00 0.00 177.57 178.54 1s72 h ASP 191 N 0.43 0.00 0.72 0.57 3.32 -1.99 -2.17 116.42 117.30 1s72 h ASP 191 Ca -0.02 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 1s72 h ASP 191 Cb 1.24 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.78 1s72 h ASP 191 CO 0.13 0.10 -0.13 0.44 -1.72 0.00 0.00 179.24 178.05 1s72 h ASP 192 N 0.00 0.00 0.78 6.45 3.32 -1.96 -2.56 116.42 122.45 1s72 h ASP 192 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1s72 h ASP 192 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1s72 h ASP 192 CO 0.01 0.13 0.00 -0.07 -1.72 0.00 0.00 179.24 177.59 1s72 h LEU 193 N 0.00 0.00 -9.36 1.55 3.38 -1.53 -3.45 115.31 105.91 1s72 h LEU 193 Ca -0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.42 1s72 h LEU 193 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1s72 h LEU 193 CO 0.02 0.00 0.87 -0.70 0.09 0.00 0.00 178.44 178.72 1s72 s GLU 194 N -3.58 4.26 0.00 1.13 2.12 -0.97 -2.59 118.70 119.07 1s72 s GLU 194 Ca 0.01 2.00 0.00 0.00 0.36 0.00 0.00 54.97 57.35 1s72 s GLU 194 Cb 0.09 -3.62 0.00 0.00 0.26 0.00 0.00 34.13 30.87 1s72 s GLU 194 CO 0.46 -0.62 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 1s72 n GLY 195 N 3.71 0.59 3.66 -1.50 0.00 -1.26 -5.05 105.19 105.34 1s72 n GLY 195 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1s72 n GLY 195 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s72 s VAL 196 N -2.37 4.93 -0.65 1.61 1.01 -1.07 -5.01 120.40 118.85 1s72 s VAL 196 Ca 0.00 1.45 -0.24 0.00 0.00 0.00 0.00 61.98 63.19 1s72 s VAL 196 Cb 0.00 -4.06 0.06 0.00 0.00 0.00 0.00 36.38 32.38 1s72 s VAL 196 CO 0.00 0.05 1.03 -0.62 0.00 0.00 0.00 175.10 175.55 1s72 s ASP 197 N 1.20 6.21 0.09 3.32 -1.08 -1.26 -4.92 116.67 120.23 1s72 s ASP 197 Ca 0.34 -0.72 0.07 0.00 -0.52 0.00 0.00 52.55 51.72 1s72 s ASP 197 Cb -0.16 -2.45 0.35 0.00 -1.46 0.00 0.00 42.92 39.20 1s72 s ASP 197 CO 0.11 -1.47 1.20 0.61 0.52 0.00 0.00 175.17 176.14 1s72 n GLY 198 N 5.29 -0.62 0.09 2.66 0.00 -1.26 0.10 105.19 111.45 1s72 n GLY 198 Ca -0.01 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1s72 n GLY 198 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1s72 h ASP 199 N 0.00 0.15 0.00 1.61 3.32 -1.91 -3.40 116.42 116.19 1s72 h ASP 199 Ca 0.00 -0.26 -0.29 0.00 0.02 0.00 0.00 57.03 56.50 1s72 h ASP 199 Cb 0.01 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.46 1s72 h ASP 199 CO 0.00 1.22 -2.11 0.41 -1.72 0.00 0.00 179.24 177.05 1s72 n THR 200 N -3.25 1.09 -4.35 0.35 -1.04 -0.57 -3.19 114.28 103.32 1s72 n THR 200 Ca -0.16 -0.68 -0.26 0.00 -2.04 0.00 0.00 64.05 60.90 1s72 n THR 200 Cb 1.03 -0.55 -0.13 0.00 -1.82 0.00 0.00 70.33 68.87 1s72 n THR 200 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1s72 s GLU 201 N -2.42 1.29 0.22 -2.82 2.02 0.28 -2.42 118.70 114.86 1s72 s GLU 201 Ca -0.08 -1.29 0.11 0.00 0.02 0.00 0.00 54.97 53.73 1s72 s GLU 201 Cb 0.05 -1.65 -0.05 0.00 0.10 0.00 0.00 34.13 32.58 1s72 s GLU 201 CO 0.67 0.38 -0.22 0.00 0.02 0.00 0.00 175.26 176.12 1s72 s ALA 202 N -1.21 2.64 -0.01 5.21 0.00 -0.85 -4.21 121.76 123.33 1s72 s ALA 202 Ca 0.12 -1.72 0.03 0.00 0.00 0.00 0.00 51.96 50.39 1s72 s ALA 202 Cb -0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 1s72 s ALA 202 CO 0.06 0.38 -0.09 0.54 0.00 0.00 0.00 175.76 176.64 1s72 s VAL 203 N -1.97 3.45 -0.25 0.00 0.11 -0.06 -1.85 120.40 119.83 1s72 s VAL 203 Ca 0.24 -0.78 0.02 0.00 -2.93 0.00 0.00 61.98 58.53 1s72 s VAL 203 Cb -0.07 -2.46 0.05 0.00 -1.53 0.00 0.00 36.38 32.37 1s72 s VAL 203 CO 0.12 0.44 -0.11 -0.60 -3.33 0.00 0.00 175.10 171.62 1s72 s ARG 204 N -1.23 2.42 -0.11 1.54 3.52 -0.51 -1.27 118.95 123.31 1s72 s ARG 204 Ca 0.15 -1.23 -0.30 0.00 -0.13 0.00 0.00 55.73 54.22 1s72 s ARG 204 Cb -0.11 -2.87 -0.02 0.00 -1.56 0.00 0.00 34.95 30.39 1s72 s ARG 204 CO 0.05 -0.50 1.20 0.42 -0.81 0.00 0.00 175.30 175.66 1s72 s ILE 205 N 1.16 4.31 0.33 4.11 1.01 -1.26 -0.81 121.20 130.05 1s72 s ILE 205 Ca -0.06 1.62 -0.26 0.00 0.00 0.00 0.00 60.65 61.94 1s72 s ILE 205 Cb -0.19 -4.04 -0.13 0.00 0.01 0.00 0.00 42.46 38.11 1s72 s ILE 205 CO -0.06 -0.06 0.92 0.00 0.00 0.00 0.00 174.94 175.74 1s72 n ALA 206 N 5.74 -0.45 0.25 9.38 0.00 -0.27 -4.85 120.51 130.32 1s72 n ALA 206 Ca 0.12 0.33 0.08 0.00 0.00 0.00 0.00 53.44 53.97 1s72 n ALA 206 Cb 0.46 -1.98 0.63 0.00 0.00 0.00 0.00 19.45 18.56 1s72 n ALA 206 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1s72 h SER 207 N 1.68 0.00 0.36 0.00 4.64 -1.93 -2.70 113.55 115.60 1s72 h SER 207 Ca -0.40 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.88 1s72 h SER 207 Cb 1.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.44 1s72 h SER 207 CO 0.58 0.07 -0.18 0.11 -0.87 0.00 0.00 176.83 176.54 1s72 h LYS 208 N 0.00 0.00 -6.60 4.77 1.57 -1.99 -3.44 116.57 110.88 1s72 h LYS 208 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1s72 h LYS 208 Cb 0.13 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.49 1s72 h LYS 208 CO 0.01 0.18 1.00 0.28 -0.57 0.00 0.00 179.45 180.35 1s72 n VAL 209 N -3.84 0.08 -1.57 0.50 0.31 -1.02 -4.97 118.33 107.81 1s72 n VAL 209 Ca -0.02 -0.01 -0.30 0.00 -0.01 0.00 0.00 64.34 64.00 1s72 n VAL 209 Cb 0.28 -1.94 0.10 0.00 -0.91 0.00 0.00 33.84 31.36 1s72 n VAL 209 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1s72 s GLY 210 N 1.47 1.61 0.33 2.92 0.00 -1.26 -4.81 107.32 107.57 1s72 s GLY 210 Ca 0.77 -0.29 0.04 0.00 0.00 0.00 0.00 44.72 45.24 1s72 s GLY 210 CO 0.34 0.16 1.92 0.00 0.00 0.00 0.00 173.10 175.52 1s72 h ALA 211 N -1.16 1.62 -0.25 3.20 0.00 -1.98 -0.41 119.26 120.29 1s72 h ALA 211 Ca -0.48 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1s72 h ALA 211 Cb 1.28 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1s72 h ALA 211 CO 0.60 0.23 0.15 -0.09 0.00 0.00 0.00 179.25 180.14 1s72 h ARG 212 N 0.89 0.35 0.00 0.00 2.43 -2.01 -1.90 114.38 114.14 1s72 h ARG 212 Ca 0.38 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.36 1s72 h ARG 212 Cb 0.31 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1s72 h ARG 212 CO -0.15 0.29 -0.72 -0.22 -1.51 0.00 0.00 179.97 177.67 1s72 h LYS 213 N 0.31 0.00 -0.67 0.20 3.64 -1.86 -3.21 116.57 114.98 1s72 h LYS 213 Ca 0.09 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1s72 h LYS 213 Cb 0.04 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1s72 h LYS 213 CO -0.02 0.72 0.23 0.00 -2.27 0.00 0.00 179.45 178.11 1s72 h ARG 214 N 0.00 1.02 -0.56 1.90 3.08 -0.89 -1.03 114.38 117.90 1s72 h ARG 214 Ca -0.01 -0.21 0.05 0.00 0.07 0.00 0.00 59.98 59.89 1s72 h ARG 214 Cb 1.39 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 31.24 1s72 h ARG 214 CO 0.09 0.88 0.29 1.49 -1.07 0.00 0.00 179.97 181.65 1s72 h GLU 215 N 0.96 0.53 -0.04 0.04 4.81 -1.35 0.49 114.58 120.02 1s72 h GLU 215 Ca 0.22 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1s72 h GLU 215 Cb 0.27 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 1s72 h GLU 215 CO -0.01 0.35 -0.00 0.00 -0.73 0.00 0.00 179.01 178.62 1s72 h ARG 216 N 0.54 0.07 -0.77 1.92 3.08 -1.53 -2.41 114.38 115.28 1s72 h ARG 216 Ca 0.25 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.32 1s72 h ARG 216 Cb 0.17 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 1s72 h ARG 216 CO -0.18 0.38 0.48 0.82 -1.07 0.00 0.00 179.97 180.40 1s72 h ILE 217 N -0.25 1.07 -0.14 2.04 2.04 -0.74 -2.46 117.51 119.07 1s72 h ILE 217 Ca 0.01 -0.31 -0.09 0.00 1.00 0.00 0.00 64.86 65.47 1s72 h ILE 217 Cb 0.35 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1s72 h ILE 217 CO 0.00 0.17 -0.30 -0.33 0.00 0.00 0.00 178.15 177.69 1s72 h GLU 218 N 0.91 0.26 0.08 2.37 5.08 0.02 -1.70 114.58 121.60 1s72 h GLU 218 Ca 0.32 -0.10 -0.25 0.00 -1.00 0.00 0.00 59.36 58.33 1s72 h GLU 218 Cb 0.09 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1s72 h GLU 218 CO -0.14 0.54 -1.13 1.05 -1.00 0.00 0.00 179.01 178.33 1s72 h GLU 219 N 0.23 0.26 0.00 2.33 4.11 -1.06 -2.99 114.58 117.46 1s72 h GLU 219 Ca 0.03 -0.39 0.00 0.00 0.07 0.00 0.00 59.36 59.07 1s72 h GLU 219 Cb 0.65 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1s72 h GLU 219 CO 0.05 1.15 -0.50 1.49 0.07 0.00 0.00 179.01 181.27 1s72 h GLU 220 N 0.09 0.00 0.04 1.06 4.81 -1.43 -2.77 114.58 116.38 1s72 h GLU 220 Ca -0.10 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.89 1s72 h GLU 220 Cb 1.84 0.00 0.02 0.00 0.63 0.00 0.00 28.75 31.24 1s72 h GLU 220 CO 0.18 0.00 -0.95 0.00 -0.73 0.00 0.00 179.01 177.52 1s72 h ALA 221 N 2.37 0.06 -0.74 2.92 0.00 -1.37 -2.54 119.26 119.96 1s72 h ALA 221 Ca 0.00 -0.68 -0.06 0.00 0.00 0.00 0.00 54.91 54.17 1s72 h ALA 221 Cb 0.82 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1s72 h ALA 221 CO 0.00 0.56 0.22 1.49 0.00 0.00 0.00 179.25 181.53 1s72 h GLU 222 N 0.17 1.15 0.00 0.00 4.81 -1.56 0.11 114.58 119.25 1s72 h GLU 222 Ca -0.13 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1s72 h GLU 222 Cb 1.63 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.85 1s72 h GLU 222 CO 0.18 0.98 0.00 -0.44 -0.73 0.00 0.00 179.01 179.00 1s72 h ASP 223 N 1.10 0.00 -0.39 1.04 3.32 -1.49 -1.34 116.42 118.67 1s72 h ASP 223 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1s72 h ASP 223 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1s72 h ASP 223 CO -0.01 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.51 1s72 n ALA 224 N -2.02 2.44 -1.64 3.45 0.00 -0.74 -4.92 120.51 117.08 1s72 n ALA 224 Ca 0.01 -0.85 -0.08 0.00 0.00 0.00 0.00 53.44 52.51 1s72 n ALA 224 Cb 0.28 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 1s72 n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s72 n GLY 225 N 1.36 0.59 3.60 0.00 0.00 -0.50 -4.66 105.19 105.57 1s72 n GLY 225 Ca 0.18 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 1s72 n GLY 225 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s72 s ILE 226 N -2.35 4.48 0.32 -0.61 1.01 0.29 -4.44 121.20 119.89 1s72 s ILE 226 Ca 0.00 -0.15 -0.26 0.00 0.00 0.00 0.00 60.65 60.24 1s72 s ILE 226 Cb 0.00 -2.99 -0.10 0.00 0.01 0.00 0.00 42.46 39.38 1s72 s ILE 226 CO 0.00 0.49 0.93 -0.60 0.00 0.00 0.00 174.94 175.76 1s72 s ARG 227 N 0.23 4.57 -0.36 2.79 3.52 -1.26 -3.86 118.95 124.58 1s72 s ARG 227 Ca 0.02 1.31 -0.06 0.00 -0.13 0.00 0.00 55.73 56.87 1s72 s ARG 227 Cb -0.13 -2.81 0.06 0.00 -1.56 0.00 0.00 34.95 30.51 1s72 s ARG 227 CO 0.01 0.29 0.14 0.08 -0.81 0.00 0.00 175.30 175.01 1s72 s VAL 228 N -1.60 3.68 0.35 7.11 1.01 -1.26 -0.88 120.40 128.81 1s72 s VAL 228 Ca 0.50 -1.36 0.09 0.00 0.00 0.00 0.00 61.98 61.20 1s72 s VAL 228 Cb -0.19 -3.19 0.32 0.00 0.00 0.00 0.00 36.38 33.33 1s72 s VAL 228 CO 0.24 -0.31 1.86 -0.07 0.00 0.00 0.00 175.10 176.82 1s72 h LEU 229 N 8.20 0.66 -6.84 3.92 3.38 -1.56 -3.20 115.31 119.87 1s72 h LEU 229 Ca -0.21 0.04 -0.64 0.00 0.09 0.00 0.00 57.88 57.16 1s72 h LEU 229 Cb 1.07 -0.09 -0.40 0.00 0.09 0.00 0.00 40.66 41.33 1s72 h LEU 229 CO 0.64 0.33 -0.44 -0.46 0.09 0.00 0.00 178.44 178.59 1s72 n ASN 230 N -4.57 3.59 -4.84 -0.43 6.94 -1.26 -5.09 115.26 109.60 1s72 n ASN 230 Ca 0.18 -3.28 -0.32 0.00 -0.02 0.00 0.00 54.58 51.14 1s72 n ASN 230 Cb 0.48 -0.80 -0.00 0.00 -2.36 0.00 0.00 39.78 37.10 1s72 n ASN 230 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1s72 s PRO 231 N -1.83 3.61 0.17 -0.53 0.04 -1.21 -4.81 135.00 130.44 1s72 s PRO 231 Ca 0.30 0.93 -0.24 0.00 0.04 0.00 0.00 61.00 62.03 1s72 s PRO 231 Cb 0.02 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 1s72 s PRO 231 CO -0.10 -0.56 0.76 0.99 0.04 0.00 0.00 177.00 178.13 1s72 s THR 232 N -2.83 4.42 -0.36 1.26 2.01 -1.26 -4.86 115.64 114.02 1s72 s THR 232 Ca 0.58 1.60 -0.10 0.00 0.31 0.00 0.00 61.69 64.08 1s72 s THR 232 Cb -0.12 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.35 1s72 s THR 232 CO 0.43 0.46 0.18 -0.31 -0.69 0.00 0.00 174.62 174.69 1s72 s TYR 233 N -1.23 3.23 0.12 4.92 1.51 -1.26 -1.96 117.35 122.67 1s72 s TYR 233 Ca 0.37 -0.91 0.03 0.00 -1.01 0.00 0.00 57.07 55.55 1s72 s TYR 233 Cb -0.22 -2.40 -0.04 0.00 -0.11 0.00 0.00 41.96 39.19 1s72 s TYR 233 CO 0.25 -0.61 0.15 0.08 -1.11 0.00 0.00 175.55 174.31 1s72 s VAL 234 N 1.55 4.79 -0.40 0.71 1.01 -0.33 -4.80 120.40 122.93 1s72 s VAL 234 Ca 0.02 -0.80 -0.24 0.00 0.00 0.00 0.00 61.98 60.96 1s72 s VAL 234 Cb -0.19 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 32.82 1s72 s VAL 234 CO 0.06 0.01 0.84 -1.61 0.00 0.00 0.00 175.10 174.40 1s72 s GLU 235 N -2.80 3.65 0.00 2.72 8.01 -1.26 -0.33 118.70 128.69 1s72 s GLU 235 Ca 0.32 0.24 0.02 0.00 0.01 0.00 0.00 54.97 55.56 1s72 s GLU 235 Cb -0.11 -3.86 0.02 0.00 -4.31 0.00 0.00 34.13 25.87 1s72 s GLU 235 CO 0.25 -1.00 0.58 0.28 0.01 0.00 0.00 175.26 175.37