#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dm7 s PHE 70 N 0.00 3.21 0.30 2.13 2.99 -1.26 -4.96 117.98 120.39 1dm7 s PHE 70 Ca 0.00 -1.06 -0.29 0.00 0.00 0.00 0.00 56.93 55.58 1dm7 s PHE 70 Cb 0.00 -2.32 -0.10 0.00 0.00 0.00 0.00 43.02 40.59 1dm7 s PHE 70 CO 0.00 -0.63 1.45 -1.25 -0.00 0.00 0.00 175.22 174.79 1dm7 s PRO 71 N 1.50 4.23 0.02 0.24 0.04 -1.25 -4.78 135.00 134.99 1dm7 s PRO 71 Ca 0.01 2.38 -0.22 0.00 0.04 0.00 0.00 61.00 63.22 1dm7 s PRO 71 Cb -0.18 -3.06 -0.05 0.00 0.04 0.00 0.00 34.50 31.24 1dm7 s PRO 71 CO 0.04 -0.43 0.65 0.50 0.04 0.00 0.00 177.00 177.81 1dm7 s ARG 72 N -1.01 4.38 -0.16 4.56 3.52 -1.26 -1.74 118.95 127.24 1dm7 s ARG 72 Ca 0.57 0.85 0.01 0.00 -0.13 0.00 0.00 55.73 57.03 1dm7 s ARG 72 Cb -0.43 -3.34 0.02 0.00 -1.56 0.00 0.00 34.95 29.63 1dm7 s ARG 72 CO 0.50 0.35 -0.19 0.08 -0.81 0.00 0.00 175.30 175.23 1dm7 s VAL 73 N -0.19 1.90 0.11 7.11 1.01 0.13 -4.97 120.40 125.51 1dm7 s VAL 73 Ca 0.34 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.54 1dm7 s VAL 73 Cb -0.19 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1dm7 s VAL 73 CO 0.19 0.52 -0.10 -0.75 0.00 0.00 0.00 175.10 174.96 1dm7 s LYS 74 N 1.23 2.12 -0.35 2.72 2.20 -1.26 -0.84 119.74 125.56 1dm7 s LYS 74 Ca 0.02 -1.05 -0.03 0.00 -0.36 0.00 0.00 55.97 54.55 1dm7 s LYS 74 Cb -0.14 -2.29 0.07 0.00 -1.51 0.00 0.00 37.83 33.96 1dm7 s LYS 74 CO -0.10 0.50 0.10 1.21 -0.36 0.00 0.00 175.35 176.70 1dm7 s ASN 75 N -2.27 5.13 0.00 1.43 3.84 -0.60 -1.18 114.94 121.28 1dm7 s ASN 75 Ca 0.22 -1.52 0.11 0.00 0.21 0.00 0.00 52.86 51.88 1dm7 s ASN 75 Cb -0.11 -1.79 0.54 0.00 -0.55 0.00 0.00 41.25 39.34 1dm7 s ASN 75 CO 0.14 -0.38 1.27 0.79 -2.79 0.00 0.00 177.10 176.12 1dm7 n TRP 76 N 4.66 0.00 0.04 0.43 7.02 0.07 0.10 117.44 129.76 1dm7 n TRP 76 Ca -0.09 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.18 1dm7 n TRP 76 Cb 0.43 -0.32 -0.14 0.00 -2.42 0.00 0.00 31.31 28.86 1dm7 n TRP 76 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1dm7 h GLU 77 N 0.00 0.31 -0.00 -0.99 4.81 -1.94 -3.39 114.58 113.37 1dm7 h GLU 77 Ca 0.00 -0.53 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1dm7 h GLU 77 Cb 0.12 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1dm7 h GLU 77 CO 0.00 1.22 -0.45 1.28 -0.73 0.00 0.00 179.01 180.33 1dm7 n LEU 78 N -3.51 0.87 0.00 1.64 4.77 -1.08 -4.99 117.00 114.71 1dm7 n LEU 78 Ca -0.27 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.11 1dm7 n LEU 78 Cb 1.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.15 1dm7 n LEU 78 CO 0.47 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 1dm7 n GLY 79 N 1.18 0.47 3.82 -0.72 0.00 0.12 -5.00 105.19 105.05 1dm7 n GLY 79 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1dm7 n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dm7 s SER 80 N -2.25 5.77 0.04 1.61 1.04 -1.22 -4.83 113.70 113.86 1dm7 s SER 80 Ca 0.00 1.69 0.01 0.00 0.48 0.00 0.00 55.95 58.13 1dm7 s SER 80 Cb 0.00 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.58 1dm7 s SER 80 CO 0.00 -1.17 -0.06 -0.63 0.98 0.00 0.00 173.24 172.36 1dm7 s ILE 81 N -2.74 0.39 0.09 -1.02 1.01 -1.26 -1.56 121.20 116.10 1dm7 s ILE 81 Ca 0.60 -1.19 -0.11 0.00 0.00 0.00 0.00 60.65 59.95 1dm7 s ILE 81 Cb -0.14 -0.71 0.01 0.00 0.01 0.00 0.00 42.46 41.63 1dm7 s ILE 81 CO 0.44 -0.54 0.25 0.42 0.00 0.00 0.00 174.94 175.51 1dm7 s THR 82 N -1.91 0.12 -0.13 2.92 -4.23 -0.02 -4.97 115.64 107.41 1dm7 s THR 82 Ca -0.08 -0.95 -0.00 0.00 -1.18 0.00 0.00 61.69 59.48 1dm7 s THR 82 Cb -0.07 -1.21 -0.02 0.00 1.34 0.00 0.00 72.50 72.55 1dm7 s THR 82 CO -0.02 -0.52 -0.12 -0.31 -0.54 0.00 0.00 174.62 173.10 1dm7 s TYR 83 N -3.57 2.83 -0.43 3.99 1.51 -1.26 0.19 117.35 120.61 1dm7 s TYR 83 Ca 0.02 -0.64 -0.22 0.00 -1.01 0.00 0.00 57.07 55.23 1dm7 s TYR 83 Cb 0.03 -1.86 0.02 0.00 -0.11 0.00 0.00 41.96 40.05 1dm7 s TYR 83 CO -0.10 -0.21 0.70 0.34 -1.11 0.00 0.00 175.55 175.17 1dm7 s ASP 84 N 0.38 6.37 0.00 2.29 -1.08 -0.71 -4.72 116.67 119.20 1dm7 s ASP 84 Ca -0.10 -0.19 0.14 0.00 -0.52 0.00 0.00 52.55 51.88 1dm7 s ASP 84 Cb -0.16 -2.35 -0.13 0.00 -1.46 0.00 0.00 42.92 38.83 1dm7 s ASP 84 CO 0.05 -0.81 0.63 0.35 0.52 0.00 0.00 175.17 175.91 1dm7 n THR 85 N 5.93 0.00 0.02 1.71 -2.24 -0.33 -3.97 114.28 115.40 1dm7 n THR 85 Ca -0.00 -0.19 -0.04 0.00 -2.27 0.00 0.00 64.05 61.55 1dm7 n THR 85 Cb 0.48 1.02 0.19 0.00 -2.10 0.00 0.00 70.33 69.93 1dm7 n THR 85 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1dm7 h LEU 86 N 0.23 0.46 -2.24 3.22 5.85 -1.69 -2.83 115.31 118.31 1dm7 h LEU 86 Ca 0.00 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1dm7 h LEU 86 Cb 0.36 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1dm7 h LEU 86 CO 0.00 0.74 0.12 0.00 -0.34 0.00 0.00 178.44 178.96 1dm7 h ALA 88 N 1.73 1.40 0.00 0.00 0.00 -1.80 -1.20 119.26 119.39 1dm7 h ALA 88 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1dm7 h ALA 88 Cb 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1dm7 h ALA 88 CO 0.00 0.22 0.00 1.04 0.00 0.00 0.00 179.25 180.51 1dm7 n GLN 89 N -3.87 0.03 -1.78 0.00 1.13 0.58 -4.80 117.38 108.67 1dm7 n GLN 89 Ca -0.02 0.08 -0.42 0.00 -1.94 0.00 0.00 57.00 54.70 1dm7 n GLN 89 Cb 0.27 -1.54 -0.03 0.00 0.11 0.00 0.00 30.24 29.05 1dm7 n GLN 89 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1dm7 s SER 90 N -3.18 6.51 0.00 1.08 0.15 -0.45 -4.84 113.70 112.97 1dm7 s SER 90 Ca 0.12 2.56 0.07 0.00 0.70 0.00 0.00 55.95 59.41 1dm7 s SER 90 Cb 0.16 -2.54 0.13 0.00 -1.71 0.00 0.00 66.02 62.07 1dm7 s SER 90 CO 0.48 -1.00 0.97 0.00 1.20 0.00 0.00 173.24 174.89 1dm7 n GLN 91 N 6.97 1.58 -5.14 5.44 1.13 -1.26 -4.97 117.38 121.13 1dm7 n GLN 91 Ca 0.19 -1.43 -0.30 0.00 -1.94 0.00 0.00 57.00 53.51 1dm7 n GLN 91 Cb 0.41 -1.16 -0.16 0.00 0.11 0.00 0.00 30.24 29.44 1dm7 n GLN 91 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1dm7 s GLN 92 N -0.82 2.29 0.30 -1.09 2.00 -1.26 -5.13 119.66 115.94 1dm7 s GLN 92 Ca 0.12 -0.82 -0.18 0.00 -2.00 0.00 0.00 55.36 52.48 1dm7 s GLN 92 Cb 0.07 -1.97 -0.09 0.00 0.80 0.00 0.00 33.01 31.82 1dm7 s GLN 92 CO 0.10 0.35 0.77 -0.51 -0.50 0.00 0.00 175.29 175.50 1dm7 s ASP 93 N -0.14 6.93 0.02 6.67 -0.00 -1.26 -4.32 116.67 124.57 1dm7 s ASP 93 Ca -0.03 1.41 0.00 0.00 -0.00 0.00 0.00 52.55 53.93 1dm7 s ASP 93 Cb -0.13 -2.42 0.00 0.00 -0.00 0.00 0.00 42.92 40.37 1dm7 s ASP 93 CO 0.03 -0.13 0.00 0.61 -0.00 0.00 0.00 175.17 175.68 1dm7 n GLY 94 N 0.07 1.83 0.02 0.21 0.00 -1.26 -4.95 105.19 101.10 1dm7 n GLY 94 Ca 0.02 -2.08 0.12 0.00 0.00 0.00 0.00 46.02 44.08 1dm7 n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dm7 n PRO 95 N -0.57 0.09 -2.63 1.61 -0.04 -1.26 -4.94 135.00 127.25 1dm7 n PRO 95 Ca 0.00 0.02 -0.34 0.00 -0.04 0.00 0.00 63.50 63.14 1dm7 n PRO 95 Cb 0.00 -1.55 -0.05 0.00 -0.04 0.00 0.00 33.50 31.87 1dm7 n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1dm7 s THR 97 N -2.02 0.15 0.59 0.00 -4.23 -1.05 -5.02 115.64 104.07 1dm7 s THR 97 Ca 0.65 -1.27 0.29 0.00 -1.18 0.00 0.00 61.69 60.19 1dm7 s THR 97 Cb -0.14 -1.26 0.36 0.00 1.34 0.00 0.00 72.50 72.80 1dm7 s THR 97 CO 0.18 -0.70 2.07 -0.65 -0.54 0.00 0.00 174.62 174.98 1dm7 h PRO 98 N 3.06 0.00 -0.20 3.99 0.11 -2.05 -2.24 132.00 134.68 1dm7 h PRO 98 Ca -0.34 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.68 1dm7 h PRO 98 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1dm7 h PRO 98 CO 0.56 0.00 -0.25 -0.09 -0.21 0.00 0.00 178.00 178.01 1dm7 h ARG 99 N 0.00 0.52 -2.36 1.05 2.43 -2.01 -3.47 114.38 110.54 1dm7 h ARG 99 Ca 0.10 -0.30 -0.08 0.00 -0.81 0.00 0.00 59.98 58.89 1dm7 h ARG 99 Cb 0.59 0.02 -0.19 0.00 -0.42 0.00 0.00 29.97 29.97 1dm7 h ARG 99 CO -0.00 0.89 0.03 -0.98 -1.51 0.00 0.00 179.97 178.40 1dm7 s ARG 100 N -4.22 0.93 -0.32 0.20 3.03 -0.84 -5.14 118.95 112.58 1dm7 s ARG 100 Ca -0.13 0.10 -0.14 0.00 2.03 0.00 0.00 55.73 57.58 1dm7 s ARG 100 Cb 0.07 0.43 -0.02 0.00 -1.03 0.00 0.00 34.95 34.39 1dm7 s ARG 100 CO 0.79 -0.28 0.33 0.00 -1.13 0.00 0.00 175.30 175.02 1dm7 n LEU 102 N 5.31 5.07 0.29 0.00 4.77 -1.26 -4.71 117.00 126.47 1dm7 n LEU 102 Ca -0.10 -3.27 0.17 0.00 -0.03 0.00 0.00 56.01 52.78 1dm7 n LEU 102 Cb 0.50 -0.67 0.97 0.00 -2.33 0.00 0.00 43.42 41.89 1dm7 n LEU 102 CO 0.38 0.85 1.14 1.23 -1.33 0.00 0.00 177.39 179.67 1dm7 h GLY 103 N 2.10 0.00 1.60 -0.72 0.00 -1.93 -2.17 103.07 101.95 1dm7 h GLY 103 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1dm7 h GLY 103 CO 0.52 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.92 1dm7 n SER 104 N -3.66 0.00 -4.75 0.19 3.41 -1.26 -4.81 113.62 102.74 1dm7 n SER 104 Ca -0.02 -0.06 -0.41 0.00 -0.26 0.00 0.00 58.87 58.12 1dm7 n SER 104 Cb 0.12 -0.30 -0.05 0.00 -0.26 0.00 0.00 64.21 63.72 1dm7 n SER 104 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1dm7 s LEU 105 N -2.60 4.55 -0.03 1.04 1.02 -0.82 -4.99 118.68 116.85 1dm7 s LEU 105 Ca 0.25 2.06 -0.18 0.00 0.02 0.00 0.00 54.13 56.27 1dm7 s LEU 105 Cb 0.18 -3.61 -0.32 0.00 0.02 0.00 0.00 46.19 42.46 1dm7 s LEU 105 CO 0.42 -0.07 0.87 0.58 0.02 0.00 0.00 176.35 178.16 1dm7 h VAL 106 N 3.44 1.33 -3.83 -1.59 2.07 -1.89 -3.47 116.25 112.32 1dm7 h VAL 106 Ca -0.45 -2.57 -0.68 0.00 0.82 0.00 0.00 66.70 63.82 1dm7 h VAL 106 Cb 1.21 3.06 -0.20 0.00 -1.52 0.00 0.00 31.29 33.84 1dm7 h VAL 106 CO 0.70 0.76 -0.75 -0.76 0.02 0.00 0.00 177.57 177.53 1dm7 s LEU 107 N -7.71 2.87 0.14 2.57 1.43 -1.26 -5.11 118.68 111.62 1dm7 s LEU 107 Ca -0.13 -0.26 -0.30 0.00 -1.03 0.00 0.00 54.13 52.41 1dm7 s LEU 107 Cb 0.03 -1.65 -0.07 0.00 0.03 0.00 0.00 46.19 44.52 1dm7 s LEU 107 CO 0.86 0.29 1.13 -2.84 0.23 0.00 0.00 176.35 176.02 1dm7 s PRO 108 N -1.29 4.53 0.20 1.29 0.02 -1.26 -4.94 135.00 133.55 1dm7 s PRO 108 Ca 0.15 1.74 0.04 0.00 0.02 0.00 0.00 61.00 62.95 1dm7 s PRO 108 Cb -0.11 -3.30 0.13 0.00 0.02 0.00 0.00 34.50 31.24 1dm7 s PRO 108 CO 0.05 -0.04 1.47 -0.09 -0.33 0.00 0.00 177.00 178.07 1dm7 h ARG 109 N 5.63 0.22 0.00 5.54 9.65 -2.01 -3.40 114.38 130.01 1dm7 h ARG 109 Ca -0.43 -0.19 0.00 0.00 -1.10 0.00 0.00 59.98 58.26 1dm7 h ARG 109 Cb 1.21 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.83 1dm7 h ARG 109 CO 0.75 0.85 -0.58 1.17 2.80 0.00 0.00 179.97 184.97 1dm7 n LYS 110 N -3.77 2.51 0.00 0.20 3.00 -1.26 -4.77 118.16 114.07 1dm7 n LYS 110 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 1dm7 n LYS 110 Cb 0.71 -0.79 0.00 0.00 0.00 0.00 0.00 35.03 34.95 1dm7 n LYS 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1dm7 n LEU 111 N -0.93 0.53 0.00 3.14 4.32 -1.26 -4.79 117.00 118.00 1dm7 n LEU 111 Ca 0.00 -0.26 0.00 0.00 -0.02 0.00 0.00 56.01 55.73 1dm7 n LEU 111 Cb 0.04 -0.25 0.00 0.00 -1.62 0.00 0.00 43.42 41.59 1dm7 n LEU 111 CO 0.00 0.13 0.00 1.67 -1.22 0.00 0.00 177.39 177.97 1dm7 n GLN 112 N 0.26 1.48 -3.14 3.23 -0.06 -1.26 -4.94 117.38 112.95 1dm7 n GLN 112 Ca 0.00 0.00 -0.17 0.00 -2.00 0.00 0.00 57.00 54.83 1dm7 n GLN 112 Cb 0.13 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.28 1dm7 n GLN 112 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 1dm7 n THR 113 N -0.69 -0.08 -0.85 1.69 -1.04 -1.26 -5.03 114.28 107.02 1dm7 n THR 113 Ca 0.00 -4.44 -0.27 0.00 -2.04 0.00 0.00 64.05 57.29 1dm7 n THR 113 Cb 0.00 -0.17 0.01 0.00 -1.82 0.00 0.00 70.33 68.35 1dm7 n THR 113 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1dm7 n ARG 114 N 0.25 0.00 -0.87 -2.82 5.12 -1.26 -4.82 116.66 112.26 1dm7 n ARG 114 Ca 0.24 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.82 1dm7 n ARG 114 Cb 0.67 -0.72 0.03 0.00 -1.16 0.00 0.00 32.46 31.28 1dm7 n ARG 114 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1dm7 n PRO 115 N 1.28 0.00 -2.88 5.56 -0.02 -1.26 -4.99 135.00 132.69 1dm7 n PRO 115 Ca 0.04 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.33 1dm7 n PRO 115 Cb 0.36 -0.87 -0.01 0.00 -0.02 0.00 0.00 33.50 32.95 1dm7 n PRO 115 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1dm7 n SER 116 N 3.06 2.27 0.10 2.55 2.88 -1.26 -4.88 113.62 118.34 1dm7 n SER 116 Ca -0.02 -3.16 0.01 0.00 -1.33 0.00 0.00 58.87 54.38 1dm7 n SER 116 Cb 0.62 -0.56 -0.02 0.00 -0.75 0.00 0.00 64.21 63.50 1dm7 n SER 116 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1dm7 h PRO 117 N 2.93 0.00 -5.65 -1.46 0.13 -1.89 0.33 132.00 126.40 1dm7 h PRO 117 Ca 0.08 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.73 1dm7 h PRO 117 Cb 0.93 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.84 1dm7 h PRO 117 CO 0.61 0.45 -0.80 0.20 -0.23 0.00 0.00 178.00 178.23 1dm7 s GLY 118 N -4.58 0.98 0.98 1.56 0.00 -1.26 -0.36 107.32 104.64 1dm7 s GLY 118 Ca 0.02 -1.04 -0.14 0.00 0.00 0.00 0.00 44.72 43.56 1dm7 s GLY 118 CO 0.77 -1.03 0.29 -1.55 0.00 0.00 0.00 173.10 171.58 1dm7 n PRO 119 N 1.42 -0.48 -3.50 2.90 -0.04 -1.26 -4.76 135.00 129.28 1dm7 n PRO 119 Ca -0.20 -0.11 -0.37 0.00 -0.04 0.00 0.00 63.50 62.79 1dm7 n PRO 119 Cb 0.54 -1.80 -0.06 0.00 -0.04 0.00 0.00 33.50 32.14 1dm7 n PRO 119 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1dm7 s PRO 120 N -3.54 4.09 -0.38 0.54 0.04 -1.26 -4.96 135.00 129.52 1dm7 s PRO 120 Ca 0.56 0.28 -0.33 0.00 0.04 0.00 0.00 61.00 61.55 1dm7 s PRO 120 Cb -0.19 -3.33 -0.14 0.00 0.04 0.00 0.00 34.50 30.87 1dm7 s PRO 120 CO 0.68 0.43 1.60 -2.30 0.04 0.00 0.00 177.00 177.44 1dm7 n PRO 121 N 2.83 0.00 -0.37 0.56 -0.02 -1.26 -4.62 135.00 132.13 1dm7 n PRO 121 Ca -0.12 0.00 0.29 0.00 -2.02 0.00 0.00 63.50 61.65 1dm7 n PRO 121 Cb 0.52 -1.12 0.59 0.00 -0.02 0.00 0.00 33.50 33.47 1dm7 n PRO 121 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dm7 h ALA 122 N 6.72 2.52 0.18 3.55 0.00 -1.93 0.43 119.26 130.74 1dm7 h ALA 122 Ca -0.07 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1dm7 h ALA 122 Cb 1.06 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1dm7 h ALA 122 CO 0.81 -0.99 -0.33 0.93 0.00 0.00 0.00 179.25 179.67 1dm7 h GLU 123 N 0.24 -0.57 0.02 0.00 4.39 -1.99 0.70 114.58 117.38 1dm7 h GLU 123 Ca 0.67 0.04 -0.00 0.00 0.34 0.00 0.00 59.36 60.40 1dm7 h GLU 123 Cb 1.96 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 30.74 1dm7 h GLU 123 CO -0.30 -0.38 -0.02 0.37 -1.16 0.00 0.00 179.01 177.53 1dm7 h GLN 124 N -0.59 -0.04 -0.89 2.33 5.75 -0.50 -2.38 115.11 118.78 1dm7 h GLN 124 Ca 0.02 0.00 0.21 0.00 -0.15 0.00 0.00 58.65 58.73 1dm7 h GLN 124 Cb 0.60 0.01 -0.16 0.00 1.07 0.00 0.00 27.48 28.99 1dm7 h GLN 124 CO -0.16 -0.02 -0.08 1.25 -2.65 0.00 0.00 178.83 177.17 1dm7 h LEU 125 N -0.04 -0.59 -0.90 -2.39 5.85 -1.30 0.12 115.31 116.06 1dm7 h LEU 125 Ca -0.00 0.25 0.06 0.00 0.84 0.00 0.00 57.88 59.03 1dm7 h LEU 125 Cb 0.03 0.48 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 1dm7 h LEU 125 CO 0.00 -0.28 0.57 0.25 -0.34 0.00 0.00 178.44 178.63 1dm7 h LEU 126 N 0.03 0.90 -0.55 2.25 5.85 -0.81 -0.43 115.31 122.55 1dm7 h LEU 126 Ca 0.48 0.01 -0.16 0.00 0.84 0.00 0.00 57.88 59.06 1dm7 h LEU 126 Cb 0.86 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1dm7 h LEU 126 CO -0.86 0.58 -0.55 0.77 -0.34 0.00 0.00 178.44 178.05 1dm7 h SER 127 N 1.04 0.56 -0.38 1.25 4.64 -0.25 0.18 113.55 120.58 1dm7 h SER 127 Ca 0.39 -0.30 -0.09 0.00 -0.47 0.00 0.00 61.79 61.32 1dm7 h SER 127 Cb 0.15 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1dm7 h SER 127 CO -0.17 0.99 -0.10 1.56 -0.87 0.00 0.00 176.83 178.25 1dm7 h GLN 128 N 0.38 0.74 0.38 4.77 4.20 -1.04 -2.41 115.11 122.13 1dm7 h GLN 128 Ca 0.01 -0.29 -0.02 0.00 0.06 0.00 0.00 58.65 58.41 1dm7 h GLN 128 Cb 1.08 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.82 1dm7 h GLN 128 CO 0.10 0.89 -0.18 0.00 -0.67 0.00 0.00 178.83 178.97 1dm7 h ALA 129 N 0.83 -0.51 -0.97 3.87 0.00 -0.90 -0.01 119.26 121.58 1dm7 h ALA 129 Ca 0.10 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.00 1dm7 h ALA 129 Cb 0.61 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.53 1dm7 h ALA 129 CO 0.04 -0.77 0.62 0.00 0.00 0.00 0.00 179.25 179.13 1dm7 h ARG 130 N -0.53 0.93 -0.32 0.00 3.08 -0.98 0.84 114.38 117.40 1dm7 h ARG 130 Ca -0.05 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 1dm7 h ARG 130 Cb 0.41 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1dm7 h ARG 130 CO 0.09 0.62 -0.02 0.22 -1.07 0.00 0.00 179.97 179.80 1dm7 h ASP 131 N 0.96 0.57 -0.14 7.04 3.58 -1.08 -0.45 116.42 126.90 1dm7 h ASP 131 Ca 0.46 -0.33 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 1dm7 h ASP 131 Cb 0.45 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 1dm7 h ASP 131 CO -0.22 0.76 0.06 0.15 -2.88 0.00 0.00 179.24 177.11 1dm7 h PHE 132 N 0.37 0.22 -0.55 0.28 3.57 -0.15 0.17 116.94 120.84 1dm7 h PHE 132 Ca 0.09 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.62 1dm7 h PHE 132 Cb 0.48 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 1dm7 h PHE 132 CO 0.04 0.30 0.28 0.82 -2.23 0.00 0.00 178.31 177.52 1dm7 h ILE 133 N 0.08 0.94 -0.74 1.41 1.08 -0.81 0.36 117.51 119.82 1dm7 h ILE 133 Ca 0.05 -0.18 0.06 0.00 -0.39 0.00 0.00 64.86 64.40 1dm7 h ILE 133 Cb 0.17 0.36 -0.06 0.00 -3.07 0.00 0.00 36.82 34.22 1dm7 h ILE 133 CO -0.00 0.10 0.43 0.78 -0.69 0.00 0.00 178.15 178.77 1dm7 h ASN 134 N 0.54 0.66 -0.03 1.72 2.35 -0.77 -0.62 115.58 119.42 1dm7 h ASN 134 Ca 0.25 0.03 0.01 0.00 -0.55 0.00 0.00 56.30 56.04 1dm7 h ASN 134 Cb 0.16 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1dm7 h ASN 134 CO -0.18 0.42 -0.03 1.56 -1.65 0.00 0.00 177.43 177.55 1dm7 h GLN 135 N 0.79 -0.04 -1.01 0.81 4.20 0.98 -1.98 115.11 118.86 1dm7 h GLN 135 Ca 0.33 0.00 0.07 0.00 0.06 0.00 0.00 58.65 59.11 1dm7 h GLN 135 Cb 0.19 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.91 1dm7 h GLN 135 CO -0.18 -0.03 0.65 -0.92 -0.67 0.00 0.00 178.83 177.68 1dm7 h TYR 136 N -0.04 1.20 0.00 2.96 3.20 0.72 -2.16 116.97 122.86 1dm7 h TYR 136 Ca 0.02 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.82 1dm7 h TYR 136 Cb 0.07 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 37.93 1dm7 h TYR 136 CO -0.12 0.62 -0.49 1.88 -1.64 0.00 0.00 178.16 178.41 1dm7 h TYR 137 N 1.17 0.00 -0.35 -3.82 -1.99 -0.92 -3.09 116.97 107.96 1dm7 h TYR 137 Ca 0.44 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 61.06 1dm7 h TYR 137 Cb 0.18 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.91 1dm7 h TYR 137 CO -0.00 0.49 -0.21 0.77 -0.00 0.00 0.00 178.16 179.21 1dm7 h SER 138 N 0.00 0.80 -0.65 3.88 0.02 -0.84 -1.44 113.55 115.32 1dm7 h SER 138 Ca -0.00 -0.42 0.11 0.00 -0.84 0.00 0.00 61.79 60.63 1dm7 h SER 138 Cb 1.22 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.49 1dm7 h SER 138 CO 0.06 1.05 0.44 0.77 -1.14 0.00 0.00 176.83 178.01 1dm7 h SER 139 N 0.55 0.41 -0.52 3.07 4.64 -1.33 -0.89 113.55 119.48 1dm7 h SER 139 Ca 0.07 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 1dm7 h SER 139 Cb 0.77 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1dm7 h SER 139 CO 0.06 0.24 0.01 2.30 -0.87 0.00 0.00 176.83 178.57 1dm7 n ILE 140 N -4.47 2.69 -3.93 0.95 -5.35 -1.15 -4.97 119.36 103.13 1dm7 n ILE 140 Ca 0.11 -1.52 -0.26 0.00 -0.27 0.00 0.00 62.75 60.81 1dm7 n ILE 140 Cb 0.40 -0.28 -0.01 0.00 -1.74 0.00 0.00 39.64 38.00 1dm7 n ILE 140 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1dm7 n LYS 141 N 0.37 -3.10 -1.72 6.28 5.02 -0.34 -4.87 118.16 119.80 1dm7 n LYS 141 Ca 0.27 0.41 0.02 0.00 -2.02 0.00 0.00 58.31 56.99 1dm7 n LYS 141 Cb 1.15 -4.47 0.02 0.00 -0.02 0.00 0.00 35.03 31.71 1dm7 n LYS 141 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1dm7 n ARG 142 N -4.39 0.32 -2.13 1.97 1.74 -0.56 -5.05 116.66 108.55 1dm7 n ARG 142 Ca -0.29 -2.18 -0.41 0.00 -0.77 0.00 0.00 57.85 54.19 1dm7 n ARG 142 Cb 0.68 -0.24 -0.03 0.00 -1.02 0.00 0.00 32.46 31.85 1dm7 n ARG 142 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1dm7 s SER 143 N -2.23 6.80 0.00 0.55 0.15 -1.17 -1.83 113.70 115.97 1dm7 s SER 143 Ca 0.30 2.53 0.00 0.00 0.70 0.00 0.00 55.95 59.48 1dm7 s SER 143 Cb 0.35 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 1dm7 s SER 143 CO -0.14 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.33 1dm7 n GLY 144 N 2.09 1.40 2.53 9.45 0.00 -1.26 -5.00 105.19 114.41 1dm7 n GLY 144 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 1dm7 n GLY 144 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dm7 n SER 145 N 0.00 -3.34 0.01 1.61 3.41 -0.76 -4.81 113.62 109.74 1dm7 n SER 145 Ca 0.00 -0.76 -0.12 0.00 -0.26 0.00 0.00 58.87 57.74 1dm7 n SER 145 Cb 0.00 -0.78 -0.09 0.00 -0.26 0.00 0.00 64.21 63.08 1dm7 n SER 145 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1dm7 h GLN 146 N 0.00 -0.10 -0.52 4.33 4.15 -1.94 -3.03 115.11 117.99 1dm7 h GLN 146 Ca -0.31 0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.22 1dm7 h GLN 146 Cb 1.03 0.02 -0.10 0.00 0.21 0.00 0.00 27.48 28.64 1dm7 h GLN 146 CO 0.19 0.45 -0.12 0.00 -1.93 0.00 0.00 178.83 177.43 1dm7 h ALA 147 N -0.02 0.36 -0.31 3.38 0.00 -1.92 -0.59 119.26 120.16 1dm7 h ALA 147 Ca -0.01 0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1dm7 h ALA 147 Cb 0.60 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 1dm7 h ALA 147 CO 0.02 -0.43 -0.16 1.25 0.00 0.00 0.00 179.25 179.92 1dm7 h HIS 148 N 0.01 -0.39 -0.82 0.00 -0.00 -1.81 0.13 115.15 112.27 1dm7 h HIS 148 Ca 0.25 0.04 0.01 0.00 -0.00 0.00 0.00 60.37 60.67 1dm7 h HIS 148 Cb 0.39 0.22 -0.04 0.00 -0.00 0.00 0.00 27.41 27.98 1dm7 h HIS 148 CO -0.43 -0.23 0.54 0.93 -0.00 0.00 0.00 177.93 178.73 1dm7 h GLU 149 N -0.12 1.06 0.00 5.26 4.39 -1.12 -1.48 114.58 122.57 1dm7 h GLU 149 Ca 0.16 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1dm7 h GLU 149 Cb 0.36 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1dm7 h GLU 149 CO -0.38 0.70 0.00 0.93 -1.16 0.00 0.00 179.01 179.10 1dm7 h GLU 150 N 1.09 0.00 0.13 2.33 5.08 -0.40 -2.70 114.58 120.11 1dm7 h GLU 150 Ca 0.30 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.46 1dm7 h GLU 150 Cb -0.10 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.17 1dm7 h GLU 150 CO -0.07 0.00 -0.88 -0.09 -1.00 0.00 0.00 179.01 176.97 1dm7 h ARG 151 N 0.00 0.36 -0.98 2.33 9.65 -0.03 -2.50 114.38 123.22 1dm7 h ARG 151 Ca 0.00 -0.57 0.06 0.00 -1.10 0.00 0.00 59.98 58.38 1dm7 h ARG 151 Cb 0.73 0.20 -0.06 0.00 -1.39 0.00 0.00 29.97 29.45 1dm7 h ARG 151 CO 0.00 1.25 0.63 -0.07 2.80 0.00 0.00 179.97 184.59 1dm7 h LEU 152 N -0.24 1.01 -0.81 3.80 3.38 -1.22 -1.36 115.31 119.87 1dm7 h LEU 152 Ca -0.15 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 1dm7 h LEU 152 Cb 1.66 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 1dm7 h LEU 152 CO 0.17 0.65 -0.51 1.56 0.09 0.00 0.00 178.44 180.40 1dm7 h GLN 153 N 1.15 0.22 -0.12 1.13 4.20 -1.52 0.33 115.11 120.50 1dm7 h GLN 153 Ca 0.42 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 1dm7 h GLN 153 Cb 0.15 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 1dm7 h GLN 153 CO -0.16 0.68 0.03 0.93 -0.67 0.00 0.00 178.83 179.64 1dm7 h GLU 154 N 0.17 0.19 -0.46 1.46 5.08 -0.82 0.16 114.58 120.36 1dm7 h GLU 154 Ca 0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1dm7 h GLU 154 Cb 0.96 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 1dm7 h GLU 154 CO 0.08 0.36 0.28 0.28 -1.00 0.00 0.00 179.01 179.00 1dm7 h VAL 155 N -0.01 1.14 -0.30 3.13 2.07 -1.12 0.16 116.25 121.31 1dm7 h VAL 155 Ca 0.04 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.30 1dm7 h VAL 155 Cb 0.25 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 1dm7 h VAL 155 CO 0.00 0.14 0.02 -0.33 0.02 0.00 0.00 177.57 177.42 1dm7 h GLU 156 N 0.61 0.11 -0.07 1.57 4.39 -0.75 -1.58 114.58 118.86 1dm7 h GLU 156 Ca 0.17 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.88 1dm7 h GLU 156 Cb -0.01 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1dm7 h GLU 156 CO -0.03 0.07 -0.04 0.00 -1.16 0.00 0.00 179.01 177.85 1dm7 h ALA 157 N 1.25 0.02 -0.16 3.43 0.00 0.19 -1.71 119.26 122.28 1dm7 h ALA 157 Ca 0.14 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1dm7 h ALA 157 Cb 0.18 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1dm7 h ALA 157 CO -0.23 -0.51 0.05 1.49 0.00 0.00 0.00 179.25 180.04 1dm7 h GLU 158 N -0.04 0.25 0.08 0.00 4.81 -0.57 -2.67 114.58 116.44 1dm7 h GLU 158 Ca 0.04 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1dm7 h GLU 158 Cb 0.10 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 1dm7 h GLU 158 CO -0.09 0.38 -0.25 0.28 -0.73 0.00 0.00 179.01 178.59 1dm7 h VAL 159 N 0.07 0.43 -0.92 0.32 2.07 -1.18 0.41 116.25 117.45 1dm7 h VAL 159 Ca 0.05 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.74 1dm7 h VAL 159 Cb 0.24 0.43 -0.08 0.00 -1.52 0.00 0.00 31.29 30.36 1dm7 h VAL 159 CO -0.00 0.00 0.59 0.00 0.02 0.00 0.00 177.57 178.18 1dm7 h ALA 160 N 0.33 1.88 0.16 1.67 0.00 -1.30 0.30 119.26 122.30 1dm7 h ALA 160 Ca 0.04 0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.63 1dm7 h ALA 160 Cb 0.48 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1dm7 h ALA 160 CO -0.17 -0.16 -1.77 0.77 0.00 0.00 0.00 179.25 177.91 1dm7 h SER 161 N 0.65 0.52 0.00 0.00 0.02 -0.98 -3.42 113.55 110.34 1dm7 h SER 161 Ca 0.48 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1dm7 h SER 161 Cb 0.85 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1dm7 h SER 161 CO -0.23 1.79 -0.90 0.35 -1.14 0.00 0.00 176.83 176.69 1dm7 n THR 162 N -3.62 0.00 -0.46 -2.27 -2.24 0.14 -5.00 114.28 100.82 1dm7 n THR 162 Ca -0.27 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1dm7 n THR 162 Cb 1.04 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 1dm7 n THR 162 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dm7 n GLY 163 N 1.62 0.76 3.84 3.38 0.00 0.10 -5.01 105.19 109.88 1dm7 n GLY 163 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1dm7 n GLY 163 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1dm7 s THR 164 N -2.24 0.00 0.18 2.61 -1.32 -1.26 -4.63 115.64 108.98 1dm7 s THR 164 Ca 0.00 -0.78 -0.00 0.00 -1.21 0.00 0.00 61.69 59.70 1dm7 s THR 164 Cb 0.00 -2.76 0.00 0.00 -1.51 0.00 0.00 72.50 68.23 1dm7 s THR 164 CO 0.00 0.00 0.23 0.00 -2.21 0.00 0.00 174.62 172.64 1dm7 n TYR 165 N -0.60 -0.87 -4.06 9.09 0.18 -1.26 -2.96 117.16 116.68 1dm7 n TYR 165 Ca -0.05 -1.25 -0.13 0.00 1.88 0.00 0.00 57.90 58.35 1dm7 n TYR 165 Cb 0.60 0.26 -0.12 0.00 -0.38 0.00 0.00 39.34 39.70 1dm7 n TYR 165 CO 0.00 0.00 0.00 -1.01 -2.08 0.00 0.00 176.86 173.77 1dm7 s HIS 166 N -3.73 0.59 0.28 -3.48 3.76 -1.26 -5.07 115.29 106.39 1dm7 s HIS 166 Ca 0.16 -0.44 -0.05 0.00 -0.15 0.00 0.00 55.06 54.57 1dm7 s HIS 166 Cb -0.00 -0.36 -0.05 0.00 1.11 0.00 0.00 32.58 33.27 1dm7 s HIS 166 CO 0.11 -0.08 0.55 -0.51 -0.85 0.00 0.00 174.74 173.95 1dm7 s LEU 167 N -1.36 4.07 0.29 0.89 1.43 -1.26 -5.04 118.68 117.70 1dm7 s LEU 167 Ca -0.09 0.71 -0.12 0.00 -1.03 0.00 0.00 54.13 53.60 1dm7 s LEU 167 Cb -0.09 -3.52 -0.08 0.00 0.03 0.00 0.00 46.19 42.53 1dm7 s LEU 167 CO 0.00 -0.18 0.66 -0.13 0.23 0.00 0.00 176.35 176.93 1dm7 s ARG 168 N -3.50 3.89 0.29 1.70 0.52 -1.26 -4.90 118.95 115.68 1dm7 s ARG 168 Ca 0.44 0.47 0.02 0.00 -0.52 0.00 0.00 55.73 56.13 1dm7 s ARG 168 Cb -0.11 -2.52 0.70 0.00 0.52 0.00 0.00 34.95 33.54 1dm7 s ARG 168 CO 0.29 0.20 1.65 1.49 0.02 0.00 0.00 175.30 178.96 1dm7 h GLU 169 N 2.25 0.21 -0.30 3.54 4.81 -1.99 0.43 114.58 123.52 1dm7 h GLU 169 Ca -0.47 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 58.67 1dm7 h GLU 169 Cb 1.17 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1dm7 h GLU 169 CO 0.67 0.14 -0.15 0.66 -0.73 0.00 0.00 179.01 179.60 1dm7 h SER 170 N 0.22 0.51 -0.36 1.04 4.64 -1.99 -0.52 113.55 117.09 1dm7 h SER 170 Ca 0.55 -0.14 -0.10 0.00 -0.47 0.00 0.00 61.79 61.62 1dm7 h SER 170 Cb 1.09 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 1dm7 h SER 170 CO -0.65 0.68 -0.19 -0.33 -0.87 0.00 0.00 176.83 175.48 1dm7 h GLU 171 N 0.48 0.75 -0.30 4.77 5.08 -1.35 -1.79 114.58 122.22 1dm7 h GLU 171 Ca 0.08 -0.34 0.03 0.00 -1.00 0.00 0.00 59.36 58.14 1dm7 h GLU 171 Cb 0.54 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1dm7 h GLU 171 CO 0.03 0.95 0.13 1.25 -1.00 0.00 0.00 179.01 180.37 1dm7 h LEU 172 N 0.54 0.18 -0.63 1.33 5.85 -0.85 0.41 115.31 122.13 1dm7 h LEU 172 Ca 0.08 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.85 1dm7 h LEU 172 Cb 0.73 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 1dm7 h LEU 172 CO 0.05 0.14 0.38 0.58 -0.34 0.00 0.00 178.44 179.25 1dm7 h VAL 173 N 0.28 1.05 -0.19 1.05 2.07 -1.01 0.80 116.25 120.30 1dm7 h VAL 173 Ca 0.13 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1dm7 h VAL 173 Cb 0.07 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1dm7 h VAL 173 CO -0.11 0.13 0.08 0.15 0.02 0.00 0.00 177.57 177.85 1dm7 h PHE 174 N 0.74 0.28 -0.75 1.57 3.57 -0.53 -2.69 116.94 119.13 1dm7 h PHE 174 Ca 0.26 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 1dm7 h PHE 174 Cb 0.06 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 1dm7 h PHE 174 CO -0.06 0.32 0.43 0.78 -2.23 0.00 0.00 178.31 177.55 1dm7 h GLY 175 N 0.16 1.11 0.96 2.40 0.00 0.35 -1.76 103.07 106.30 1dm7 h GLY 175 Ca 0.06 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 46.91 1dm7 h GLY 175 CO -0.01 0.47 0.12 0.00 0.00 0.00 0.00 176.54 177.13 1dm7 h ALA 176 N 1.22 0.26 -0.97 3.60 0.00 -0.81 -0.43 119.26 122.13 1dm7 h ALA 176 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1dm7 h ALA 176 Cb 0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1dm7 h ALA 176 CO -0.05 -0.28 0.61 0.87 0.00 0.00 0.00 179.25 180.41 1dm7 h LYS 177 N 0.25 1.30 -0.27 0.00 1.57 -1.24 -2.27 116.57 115.91 1dm7 h LYS 177 Ca 0.08 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 1dm7 h LYS 177 Cb -0.01 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.01 1dm7 h LYS 177 CO -0.04 0.89 -0.32 1.96 -0.57 0.00 0.00 179.45 181.38 1dm7 h GLN 178 N 1.33 0.57 -0.64 3.15 1.08 -0.95 -1.50 115.11 118.15 1dm7 h GLN 178 Ca 0.35 -0.25 0.01 0.00 -1.45 0.00 0.00 58.65 57.31 1dm7 h GLN 178 Cb -0.10 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.28 1dm7 h GLN 178 CO -0.07 0.82 0.42 0.00 -0.95 0.00 0.00 178.83 179.05 1dm7 h ALA 179 N 1.17 0.82 -0.42 3.87 0.00 -0.51 0.93 119.26 125.12 1dm7 h ALA 179 Ca 0.06 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1dm7 h ALA 179 Cb 0.79 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1dm7 h ALA 179 CO 0.06 0.22 -0.01 2.35 0.00 0.00 0.00 179.25 181.87 1dm7 h TRP 180 N 0.85 0.82 -0.99 0.00 7.01 -1.31 -2.24 115.95 120.09 1dm7 h TRP 180 Ca 0.24 -0.15 0.03 0.00 2.11 0.00 0.00 58.89 61.13 1dm7 h TRP 180 Cb -0.06 -0.21 -0.06 0.00 -2.10 0.00 0.00 29.16 26.73 1dm7 h TRP 180 CO -0.03 0.82 0.65 -0.09 -2.79 0.00 0.00 178.44 177.00 1dm7 h ARG 181 N 0.58 1.24 -0.00 2.65 2.43 -0.68 -1.82 114.38 118.77 1dm7 h ARG 181 Ca 0.12 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1dm7 h ARG 181 Cb 0.50 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1dm7 h ARG 181 CO 0.02 0.82 -0.04 0.09 -1.51 0.00 0.00 179.97 179.35 1dm7 n ASN 182 N -4.43 0.06 -4.56 -3.80 3.02 0.27 -4.81 115.26 101.02 1dm7 n ASN 182 Ca 0.13 0.24 -0.37 0.00 -0.03 0.00 0.00 54.58 54.55 1dm7 n ASN 182 Cb 0.08 -0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 38.85 1dm7 n ASN 182 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dm7 s ALA 183 N -2.87 1.79 0.43 5.41 0.00 -0.69 -4.75 121.76 121.08 1dm7 s ALA 183 Ca 0.18 0.08 0.09 0.00 0.00 0.00 0.00 51.96 52.31 1dm7 s ALA 183 Cb 0.19 -4.31 0.95 0.00 0.00 0.00 0.00 23.12 19.95 1dm7 s ALA 183 CO 0.52 -4.23 2.07 -1.35 0.00 0.00 0.00 175.76 172.77 1dm7 h PRO 184 N 18.78 0.39 -0.09 0.00 0.11 -1.88 -2.71 132.00 146.60 1dm7 h PRO 184 Ca -0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1dm7 h PRO 184 Cb 1.26 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1dm7 h PRO 184 CO 1.14 0.28 0.00 0.54 -0.21 0.00 0.00 178.00 179.74 1dm7 n ARG 185 N -4.47 1.59 -3.52 1.05 1.74 -1.26 -1.18 116.66 110.61 1dm7 n ARG 185 Ca 0.01 -0.87 -0.38 0.00 -0.77 0.00 0.00 57.85 55.84 1dm7 n ARG 185 Cb 0.08 -1.42 -0.10 0.00 -1.02 0.00 0.00 32.46 30.00 1dm7 n ARG 185 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1dm7 h VAL 187 N 5.34 0.00 -0.47 0.00 3.04 -1.89 -3.31 116.25 118.96 1dm7 h VAL 187 Ca -0.34 -0.86 0.00 0.00 -1.01 0.00 0.00 66.70 64.49 1dm7 h VAL 187 Cb 1.18 1.70 0.00 0.00 -2.01 0.00 0.00 31.29 32.16 1dm7 h VAL 187 CO 0.60 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.77 1dm7 n GLY 188 N 1.18 2.66 0.00 3.17 0.00 -1.26 -4.43 105.19 106.51 1dm7 n GLY 188 Ca 0.03 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1dm7 n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dm7 n ARG 189 N 0.53 0.00 0.26 1.61 1.74 -1.25 -2.10 116.66 117.45 1dm7 n ARG 189 Ca 0.22 0.40 0.18 0.00 -0.77 0.00 0.00 57.85 57.88 1dm7 n ARG 189 Cb 0.99 -1.50 0.86 0.00 -1.02 0.00 0.00 32.46 31.80 1dm7 n ARG 189 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1dm7 h ILE 190 N 0.00 0.00 -0.01 0.55 2.10 -1.87 -0.57 117.51 117.70 1dm7 h ILE 190 Ca 0.00 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.75 1dm7 h ILE 190 Cb 0.01 1.07 0.00 0.00 -1.09 0.00 0.00 36.82 36.81 1dm7 h ILE 190 CO 0.00 0.00 -0.07 0.00 -1.08 0.00 0.00 178.15 177.00 1dm7 n GLN 191 N -2.84 1.53 -0.51 2.19 1.13 -0.89 -4.58 117.38 113.41 1dm7 n GLN 191 Ca -0.01 -0.96 0.44 0.00 -1.94 0.00 0.00 57.00 54.53 1dm7 n GLN 191 Cb 0.16 -1.48 0.79 0.00 0.11 0.00 0.00 30.24 29.82 1dm7 n GLN 191 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 1dm7 h TRP 192 N 2.34 0.00 0.00 1.08 5.08 -1.30 0.21 115.95 123.36 1dm7 h TRP 192 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1dm7 h TRP 192 Cb 0.56 -0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.72 1dm7 h TRP 192 CO 0.00 -0.00 0.00 0.41 -1.28 0.00 0.00 178.44 177.57 1dm7 n GLY 193 N -1.84 -1.58 3.13 11.11 0.00 -1.26 -4.40 105.19 110.35 1dm7 n GLY 193 Ca 0.34 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.94 1dm7 n GLY 193 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1dm7 s LYS 194 N -3.06 3.03 -0.05 1.61 2.20 0.73 -5.02 119.74 119.19 1dm7 s LYS 194 Ca 0.12 -2.90 -0.01 0.00 -0.36 0.00 0.00 55.97 52.82 1dm7 s LYS 194 Cb 0.15 -3.92 0.03 0.00 -1.51 0.00 0.00 37.83 32.58 1dm7 s LYS 194 CO 0.55 -1.23 0.01 -1.17 -0.36 0.00 0.00 175.35 173.15 1dm7 s LEU 195 N -0.69 0.76 -0.23 5.43 2.96 -1.26 -4.57 118.68 121.08 1dm7 s LEU 195 Ca 0.22 -0.03 -0.25 0.00 -0.22 0.00 0.00 54.13 53.85 1dm7 s LEU 195 Cb -0.13 -0.30 -0.00 0.00 0.50 0.00 0.00 46.19 46.25 1dm7 s LEU 195 CO -0.08 -0.16 0.85 -1.58 -1.32 0.00 0.00 176.35 174.06 1dm7 s GLN 196 N 1.59 4.21 -0.36 1.98 2.00 -0.85 -4.98 119.66 123.25 1dm7 s GLN 196 Ca -0.02 1.00 -0.09 0.00 -2.00 0.00 0.00 55.36 54.26 1dm7 s GLN 196 Cb -0.13 -3.63 0.03 0.00 0.80 0.00 0.00 33.01 30.08 1dm7 s GLN 196 CO -0.03 -0.50 0.16 0.08 -0.50 0.00 0.00 175.29 174.49 1dm7 s VAL 197 N 2.78 4.19 -0.25 1.34 1.01 -1.26 -1.38 120.40 126.82 1dm7 s VAL 197 Ca 0.36 -0.99 -0.17 0.00 0.00 0.00 0.00 61.98 61.19 1dm7 s VAL 197 Cb -0.15 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1dm7 s VAL 197 CO 0.08 -0.20 0.45 -0.36 0.00 0.00 0.00 175.10 175.07 1dm7 s PHE 198 N 1.48 3.28 -0.41 5.22 0.08 0.08 -5.01 117.98 122.70 1dm7 s PHE 198 Ca 0.00 0.57 -0.26 0.00 0.12 0.00 0.00 56.93 57.36 1dm7 s PHE 198 Cb -0.19 -2.64 0.02 0.00 -0.57 0.00 0.00 43.02 39.64 1dm7 s PHE 198 CO 0.05 -0.21 0.95 0.34 -0.10 0.00 0.00 175.22 176.24 1dm7 s ASP 199 N 1.48 6.61 -0.17 1.36 3.68 -1.26 -1.59 116.67 126.77 1dm7 s ASP 199 Ca 0.19 0.40 0.15 0.00 2.13 0.00 0.00 52.55 55.42 1dm7 s ASP 199 Cb -0.16 -2.47 0.37 0.00 -1.45 0.00 0.00 42.92 39.21 1dm7 s ASP 199 CO 0.09 -0.97 1.21 0.00 0.13 0.00 0.00 175.17 175.63 1dm7 n ALA 200 N 7.03 2.99 0.40 3.66 0.00 0.20 -4.65 120.51 130.15 1dm7 n ALA 200 Ca 0.07 -2.93 0.10 0.00 0.00 0.00 0.00 53.44 50.68 1dm7 n ALA 200 Cb 0.48 -0.40 0.44 0.00 0.00 0.00 0.00 19.45 19.97 1dm7 n ALA 200 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1dm7 n ARG 201 N -1.25 0.14 -2.05 0.00 1.74 -0.91 -3.00 116.66 111.33 1dm7 n ARG 201 Ca 0.18 0.39 -0.39 0.00 -0.77 0.00 0.00 57.85 57.27 1dm7 n ARG 201 Cb 0.69 -1.77 -0.00 0.00 -1.02 0.00 0.00 32.46 30.35 1dm7 n ARG 201 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1dm7 n ASP 202 N -2.03 7.74 -4.03 0.55 3.85 -1.26 -4.49 116.55 116.88 1dm7 n ASP 202 Ca 0.02 -3.27 -0.25 0.00 -0.71 0.00 0.00 54.79 50.58 1dm7 n ASP 202 Cb 0.20 -1.30 -0.17 0.00 -1.35 0.00 0.00 41.12 38.50 1dm7 n ASP 202 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1dm7 n SER 204 N 3.90 0.33 -4.10 0.00 3.41 -1.26 -4.81 113.62 111.09 1dm7 n SER 204 Ca -0.22 -0.65 -0.08 0.00 -0.26 0.00 0.00 58.87 57.67 1dm7 n SER 204 Cb 0.52 0.51 -0.10 0.00 -0.26 0.00 0.00 64.21 64.88 1dm7 n SER 204 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1dm7 s SER 205 N -0.51 0.60 0.37 4.04 1.04 -1.26 -4.97 113.70 113.01 1dm7 s SER 205 Ca 0.00 -0.99 0.13 0.00 0.48 0.00 0.00 55.95 55.57 1dm7 s SER 205 Cb 0.00 0.18 0.73 0.00 0.10 0.00 0.00 66.02 67.02 1dm7 s SER 205 CO 0.00 -0.57 1.83 0.00 0.98 0.00 0.00 173.24 175.48 1dm7 h ALA 206 N 3.16 1.39 -0.14 5.32 0.00 -1.91 -1.72 119.26 125.37 1dm7 h ALA 206 Ca -0.34 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.17 1dm7 h ALA 206 Cb 1.15 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1dm7 h ALA 206 CO 0.65 0.46 -0.23 0.37 0.00 0.00 0.00 179.25 180.49 1dm7 h GLN 207 N 0.01 0.24 -0.02 0.00 4.15 -1.95 -2.33 115.11 115.20 1dm7 h GLN 207 Ca -0.00 -0.07 -0.26 0.00 0.77 0.00 0.00 58.65 59.09 1dm7 h GLN 207 Cb 0.65 -0.02 0.02 0.00 0.21 0.00 0.00 27.48 28.33 1dm7 h GLN 207 CO 0.05 0.47 -1.00 0.93 -1.93 0.00 0.00 178.83 177.34 1dm7 h GLU 208 N 0.22 0.66 -1.00 1.69 5.08 -1.75 -3.03 114.58 116.45 1dm7 h GLU 208 Ca 0.04 -0.69 0.07 0.00 -1.00 0.00 0.00 59.36 57.77 1dm7 h GLU 208 Cb 0.54 0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.91 1dm7 h GLU 208 CO 0.04 1.28 0.64 0.52 -1.00 0.00 0.00 179.01 180.49 1dm7 h MET 209 N 0.38 1.13 -0.79 2.33 2.86 -1.10 -1.34 114.93 118.40 1dm7 h MET 209 Ca -0.11 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.48 1dm7 h MET 209 Cb 1.65 -0.26 -0.04 0.00 0.06 0.00 0.00 31.60 33.01 1dm7 h MET 209 CO 0.19 0.75 0.52 0.35 1.06 0.00 0.00 176.91 179.78 1dm7 h PHE 210 N 1.17 0.98 -0.36 -0.22 -0.00 -1.35 0.40 116.94 117.55 1dm7 h PHE 210 Ca 0.43 0.02 -0.14 0.00 -0.00 0.00 0.00 57.97 58.28 1dm7 h PHE 210 Cb 0.17 -0.33 -0.01 0.00 -0.00 0.00 0.00 35.95 35.78 1dm7 h PHE 210 CO -0.00 0.59 -0.33 1.15 -0.00 0.00 0.00 178.31 179.72 1dm7 h THR 211 N 1.04 1.28 -0.10 4.41 2.02 -1.27 0.20 112.91 120.49 1dm7 h THR 211 Ca 0.30 -1.49 -0.01 0.00 0.77 0.00 0.00 66.41 65.98 1dm7 h THR 211 Cb -0.07 1.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1dm7 h THR 211 CO -0.08 0.49 0.03 1.88 0.37 0.00 0.00 175.52 178.22 1dm7 h TYR 212 N 0.68 0.15 -0.79 3.16 -1.99 -0.71 -0.74 116.97 116.73 1dm7 h TYR 212 Ca 0.07 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.79 1dm7 h TYR 212 Cb 0.89 -0.04 -0.04 0.00 2.00 0.00 0.00 36.73 39.53 1dm7 h TYR 212 CO 0.05 0.28 0.50 0.82 -0.00 0.00 0.00 178.16 179.81 1dm7 h ILE 213 N -0.02 1.21 -0.40 -2.88 2.04 -0.05 0.15 117.51 117.56 1dm7 h ILE 213 Ca 0.03 -0.43 -0.10 0.00 1.00 0.00 0.00 64.86 65.36 1dm7 h ILE 213 Cb 0.20 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 1dm7 h ILE 213 CO -0.00 0.21 -0.17 0.00 0.00 0.00 0.00 178.15 178.20 1dm7 h ASN 215 N 0.66 0.86 0.01 0.00 2.35 -0.35 -1.38 115.58 117.74 1dm7 h ASN 215 Ca 0.10 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1dm7 h ASN 215 Cb 0.65 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 1dm7 h ASN 215 CO 0.05 1.18 -0.02 -0.74 -1.65 0.00 0.00 177.43 176.25 1dm7 h HIS 216 N 0.63 -0.05 -0.39 1.19 2.76 -0.73 -0.32 115.15 118.25 1dm7 h HIS 216 Ca 0.04 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.23 1dm7 h HIS 216 Cb 1.03 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.98 1dm7 h HIS 216 CO 0.06 -0.03 0.23 0.82 -1.30 0.00 0.00 177.93 177.70 1dm7 h ILE 217 N -0.04 1.03 -0.03 6.26 2.04 -1.09 0.29 117.51 125.98 1dm7 h ILE 217 Ca 0.00 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.73 1dm7 h ILE 217 Cb 0.04 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 1dm7 h ILE 217 CO -0.01 0.08 -0.10 0.11 0.00 0.00 0.00 178.15 178.23 1dm7 h LYS 218 N 0.46 -0.16 0.09 2.37 1.57 -0.94 0.37 116.57 120.33 1dm7 h LYS 218 Ca 0.16 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1dm7 h LYS 218 Cb 0.02 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1dm7 h LYS 218 CO -0.08 -0.10 -0.04 -0.92 -0.57 0.00 0.00 179.45 177.74 1dm7 h TYR 219 N -0.16 -0.11 -0.68 -1.35 5.03 -0.78 -1.69 116.97 117.22 1dm7 h TYR 219 Ca 0.05 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.39 1dm7 h TYR 219 Cb 0.22 0.04 -0.05 0.00 1.55 0.00 0.00 36.73 38.49 1dm7 h TYR 219 CO -0.18 0.07 0.42 0.00 -1.32 0.00 0.00 178.16 177.15 1dm7 h ALA 220 N 0.63 0.90 -0.29 1.82 0.00 -0.32 -2.93 119.26 119.08 1dm7 h ALA 220 Ca -0.01 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1dm7 h ALA 220 Cb 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1dm7 h ALA 220 CO 0.02 0.17 -0.19 1.15 0.00 0.00 0.00 179.25 180.39 1dm7 h THR 221 N 0.81 1.30 -7.01 0.00 2.02 -0.88 -1.26 112.91 107.89 1dm7 h THR 221 Ca 0.28 -1.33 -0.61 0.00 0.77 0.00 0.00 66.41 65.53 1dm7 h THR 221 Cb 0.06 1.53 -0.15 0.00 -1.74 0.00 0.00 68.15 67.85 1dm7 h THR 221 CO -0.12 0.42 -0.97 -3.20 0.37 0.00 0.00 175.52 172.01 1dm7 n ASN 222 N -4.36 -0.39 -4.06 4.18 4.05 -0.64 -0.99 115.26 113.05 1dm7 n ASN 222 Ca -0.04 -1.26 -0.32 0.00 0.45 0.00 0.00 54.58 53.41 1dm7 n ASN 222 Cb 0.41 -1.73 -0.01 0.00 1.23 0.00 0.00 39.78 39.68 1dm7 n ASN 222 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1dm7 n ARG 223 N -4.69 -3.96 0.00 1.20 1.74 -1.26 -1.82 116.66 107.87 1dm7 n ARG 223 Ca -0.27 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 1dm7 n ARG 223 Cb 0.67 -5.12 0.00 0.00 -1.02 0.00 0.00 32.46 26.99 1dm7 n ARG 223 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dm7 n GLY 224 N -1.60 3.37 3.09 -0.13 0.00 -0.16 -4.95 105.19 104.82 1dm7 n GLY 224 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1dm7 n GLY 224 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1dm7 n ASN 225 N 0.02 5.79 -4.63 1.61 4.05 -0.75 -0.81 115.26 120.54 1dm7 n ASN 225 Ca 0.00 -3.22 -0.42 0.00 0.45 0.00 0.00 54.58 51.39 1dm7 n ASN 225 Cb 0.00 -1.38 0.00 0.00 1.23 0.00 0.00 39.78 39.63 1dm7 n ASN 225 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1dm7 n LEU 226 N 2.69 2.66 -3.94 1.20 4.32 -1.23 -4.55 117.00 118.14 1dm7 n LEU 226 Ca 0.30 1.11 -0.21 0.00 -0.02 0.00 0.00 56.01 57.19 1dm7 n LEU 226 Cb 0.36 -1.37 -0.16 0.00 -1.62 0.00 0.00 43.42 40.63 1dm7 n LEU 226 CO 0.68 -1.22 -0.43 -0.13 -1.22 0.00 0.00 177.39 175.08 1dm7 s ARG 227 N -1.88 1.08 0.32 3.23 0.52 -0.48 -4.99 118.95 116.76 1dm7 s ARG 227 Ca 0.60 -0.21 -0.29 0.00 -0.52 0.00 0.00 55.73 55.31 1dm7 s ARG 227 Cb -0.59 -0.99 -0.11 0.00 0.52 0.00 0.00 34.95 33.78 1dm7 s ARG 227 CO 0.59 -0.03 1.50 -1.12 0.02 0.00 0.00 175.30 176.26 1dm7 s SER 228 N 0.76 6.45 0.09 0.23 0.01 -1.26 -4.46 113.70 115.51 1dm7 s SER 228 Ca -0.12 2.92 -0.17 0.00 1.31 0.00 0.00 55.95 59.89 1dm7 s SER 228 Cb -0.14 -2.65 0.03 0.00 0.21 0.00 0.00 66.02 63.47 1dm7 s SER 228 CO 0.01 -0.83 0.40 0.00 0.41 0.00 0.00 173.24 173.24 1dm7 s ALA 229 N -0.56 -0.94 -0.04 1.44 0.00 0.33 -2.01 121.76 119.99 1dm7 s ALA 229 Ca 0.57 0.09 -0.06 0.00 0.00 0.00 0.00 51.96 52.56 1dm7 s ALA 229 Cb -0.46 0.53 0.01 0.00 0.00 0.00 0.00 23.12 23.21 1dm7 s ALA 229 CO 0.54 -0.56 0.15 -1.50 0.00 0.00 0.00 175.76 174.39 1dm7 s ILE 230 N -3.21 0.03 -0.11 0.00 2.07 -0.48 0.52 121.20 120.02 1dm7 s ILE 230 Ca -0.01 -0.27 0.02 0.00 -1.41 0.00 0.00 60.65 58.99 1dm7 s ILE 230 Cb 0.01 -0.30 0.01 0.00 0.13 0.00 0.00 42.46 42.31 1dm7 s ILE 230 CO -0.08 -0.15 -0.17 -0.89 -1.91 0.00 0.00 174.94 171.75 1dm7 s THR 231 N -0.47 1.59 -0.31 4.00 2.01 -0.10 -0.75 115.64 121.62 1dm7 s THR 231 Ca -0.06 -0.70 -0.06 0.00 0.31 0.00 0.00 61.69 61.18 1dm7 s THR 231 Cb -0.04 -1.44 0.03 0.00 0.01 0.00 0.00 72.50 71.06 1dm7 s THR 231 CO 0.01 0.46 0.07 -0.69 -0.69 0.00 0.00 174.62 173.78 1dm7 s VAL 232 N 0.90 3.74 0.74 3.82 1.01 -0.62 -2.59 120.40 127.40 1dm7 s VAL 232 Ca -0.08 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 60.90 1dm7 s VAL 232 Cb -0.15 -3.01 0.10 0.00 0.00 0.00 0.00 36.38 33.31 1dm7 s VAL 232 CO -0.01 -0.03 1.04 -0.36 0.00 0.00 0.00 175.10 175.74 1dm7 s PHE 233 N 1.43 2.32 0.18 5.22 0.08 -0.72 -0.62 117.98 125.87 1dm7 s PHE 233 Ca 0.00 0.17 -0.33 0.00 0.12 0.00 0.00 56.93 56.90 1dm7 s PHE 233 Cb -0.18 -3.25 -0.15 0.00 -0.57 0.00 0.00 43.02 38.87 1dm7 s PHE 233 CO 0.02 -1.65 1.23 -2.30 -0.10 0.00 0.00 175.22 172.42 1dm7 n PRO 234 N -2.98 1.36 -0.69 0.24 -0.02 -1.26 -4.66 135.00 127.00 1dm7 n PRO 234 Ca 0.11 0.49 -0.30 0.00 -2.02 0.00 0.00 63.50 61.78 1dm7 n PRO 234 Cb 0.60 -2.03 0.19 0.00 -0.02 0.00 0.00 33.50 32.25 1dm7 n PRO 234 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1dm7 s GLN 235 N -0.32 0.37 0.45 -0.52 -2.07 -1.26 -4.54 119.66 111.76 1dm7 s GLN 235 Ca 0.73 1.24 -0.24 0.00 -1.82 0.00 0.00 55.36 55.27 1dm7 s GLN 235 Cb -0.81 -1.67 -0.08 0.00 -1.09 0.00 0.00 33.01 29.36 1dm7 s GLN 235 CO 0.51 -2.98 1.19 1.03 -1.32 0.00 0.00 175.29 173.72 1dm7 s ARG 236 N -4.61 3.79 -0.08 9.60 0.52 0.21 -4.92 118.95 123.46 1dm7 s ARG 236 Ca 0.67 1.85 0.02 0.00 -0.52 0.00 0.00 55.73 57.74 1dm7 s ARG 236 Cb -0.23 -2.48 0.02 0.00 0.52 0.00 0.00 34.95 32.78 1dm7 s ARG 236 CO 0.60 -0.54 -0.12 0.00 0.02 0.00 0.00 175.30 175.26 1dm7 s ALA 237 N -1.48 1.34 0.24 2.13 0.00 -1.26 -4.78 121.76 117.95 1dm7 s ALA 237 Ca 0.62 -0.49 -0.29 0.00 0.00 0.00 0.00 51.96 51.80 1dm7 s ALA 237 Cb -0.31 -0.68 -0.15 0.00 0.00 0.00 0.00 23.12 21.98 1dm7 s ALA 237 CO 0.37 -0.04 0.98 -2.30 0.00 0.00 0.00 175.76 174.78 1dm7 n PRO 238 N 4.13 1.09 0.00 0.00 -0.02 -1.24 -1.29 135.00 137.67 1dm7 n PRO 238 Ca -0.20 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1dm7 n PRO 238 Cb 0.51 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1dm7 n PRO 238 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dm7 n GLY 239 N 1.56 1.72 3.89 -1.23 0.00 0.11 -4.84 105.19 106.41 1dm7 n GLY 239 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1dm7 n GLY 239 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1dm7 s ARG 240 N 0.00 3.22 0.78 1.61 3.52 -0.41 -4.92 118.95 122.74 1dm7 s ARG 240 Ca 0.00 -0.75 -0.11 0.00 -0.13 0.00 0.00 55.73 54.74 1dm7 s ARG 240 Cb 0.00 -2.82 0.06 0.00 -1.56 0.00 0.00 34.95 30.63 1dm7 s ARG 240 CO 0.00 0.49 1.09 0.20 -0.81 0.00 0.00 175.30 176.26 1dm7 s GLY 241 N -3.34 1.64 0.22 8.12 0.00 -1.26 -4.59 107.32 108.10 1dm7 s GLY 241 Ca 0.33 -0.10 -0.10 0.00 0.00 0.00 0.00 44.72 44.85 1dm7 s GLY 241 CO 0.27 0.30 0.54 0.99 0.00 0.00 0.00 173.10 175.20 1dm7 s ASP 242 N -3.82 6.65 -0.05 1.64 -0.00 -1.26 -4.48 116.67 115.36 1dm7 s ASP 242 Ca 0.60 0.93 -0.29 0.00 -0.00 0.00 0.00 52.55 53.79 1dm7 s ASP 242 Cb -0.15 -2.23 -0.02 0.00 -0.00 0.00 0.00 42.92 40.52 1dm7 s ASP 242 CO 0.55 -0.05 0.96 -0.36 -0.00 0.00 0.00 175.17 176.27 1dm7 s PHE 243 N -1.77 3.60 0.04 4.23 0.40 -1.26 -3.85 117.98 119.37 1dm7 s PHE 243 Ca 0.46 1.61 0.01 0.00 -0.60 0.00 0.00 56.93 58.41 1dm7 s PHE 243 Cb -0.12 -3.11 -0.03 0.00 0.51 0.00 0.00 43.02 40.28 1dm7 s PHE 243 CO 0.21 -0.08 -0.05 1.03 0.70 0.00 0.00 175.22 177.03 1dm7 s ARG 244 N 1.36 0.48 -0.30 0.44 1.81 -0.48 -3.63 118.95 118.62 1dm7 s ARG 244 Ca 0.49 -0.84 -0.01 0.00 -1.72 0.00 0.00 55.73 53.65 1dm7 s ARG 244 Cb -0.20 -0.01 0.06 0.00 -0.45 0.00 0.00 34.95 34.35 1dm7 s ARG 244 CO 0.23 -0.03 -0.02 0.42 -0.68 0.00 0.00 175.30 175.23 1dm7 s ILE 245 N -2.14 2.79 0.25 1.52 1.01 -1.26 -1.30 121.20 122.07 1dm7 s ILE 245 Ca -0.07 -1.50 -0.06 0.00 0.00 0.00 0.00 60.65 59.02 1dm7 s ILE 245 Cb -0.05 -2.64 0.22 0.00 0.01 0.00 0.00 42.46 40.00 1dm7 s ILE 245 CO -0.03 -0.13 1.87 -0.50 0.00 0.00 0.00 174.94 176.16 1dm7 h TRP 246 N 7.93 1.19 -4.03 3.97 4.06 -1.73 -3.42 115.95 123.93 1dm7 h TRP 246 Ca -0.20 -0.02 -0.54 0.00 2.06 0.00 0.00 58.89 60.19 1dm7 h TRP 246 Cb 1.05 -0.38 0.12 0.00 -1.00 0.00 0.00 29.16 28.95 1dm7 h TRP 246 CO 0.61 0.82 0.59 -0.80 -3.56 0.00 0.00 178.44 176.10 1dm7 s ASN 247 N -6.26 5.57 0.18 -3.49 -0.87 -1.26 -4.93 114.94 103.87 1dm7 s ASN 247 Ca -0.12 2.68 0.05 0.00 -1.57 0.00 0.00 52.86 53.90 1dm7 s ASN 247 Cb 0.17 -2.63 0.03 0.00 -0.02 0.00 0.00 41.25 38.79 1dm7 s ASN 247 CO 0.82 -1.36 1.41 0.77 -2.57 0.00 0.00 177.10 176.17 1dm7 h SER 248 N 1.73 0.13 -4.52 -1.22 4.64 -1.91 -3.35 113.55 109.05 1dm7 h SER 248 Ca -0.50 -0.11 -0.25 0.00 -0.47 0.00 0.00 61.79 60.45 1dm7 h SER 248 Cb 1.28 -0.04 -0.16 0.00 -0.31 0.00 0.00 62.40 63.17 1dm7 h SER 248 CO 0.58 0.92 -0.71 -1.10 -0.87 0.00 0.00 176.83 175.65 1dm7 s GLN 249 N -3.17 0.83 0.43 4.77 -0.21 -1.26 -0.01 119.66 121.03 1dm7 s GLN 249 Ca -0.01 -1.26 0.21 0.00 0.02 0.00 0.00 55.36 54.32 1dm7 s GLN 249 Cb 0.11 -0.31 0.97 0.00 1.00 0.00 0.00 33.01 34.77 1dm7 s GLN 249 CO 0.81 0.01 1.87 -0.07 -2.12 0.00 0.00 175.29 175.79 1dm7 h LEU 250 N 3.20 0.00 -7.64 2.90 3.38 -1.25 -3.40 115.31 112.50 1dm7 h LEU 250 Ca -0.36 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.06 1dm7 h LEU 250 Cb 1.18 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.55 1dm7 h LEU 250 CO 0.60 0.27 -0.80 -0.69 0.09 0.00 0.00 178.44 177.91 1dm7 s VAL 251 N -3.89 1.10 0.00 1.22 1.01 -1.26 -4.94 120.40 113.64 1dm7 s VAL 251 Ca -0.01 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 1dm7 s VAL 251 Cb 0.12 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.27 1dm7 s VAL 251 CO 0.65 0.19 0.14 -0.13 0.00 0.00 0.00 175.10 175.95 1dm7 s ARG 252 N 1.65 0.49 -0.04 2.72 1.81 -1.26 -4.91 118.95 119.41 1dm7 s ARG 252 Ca 0.02 -0.41 -0.15 0.00 -1.72 0.00 0.00 55.73 53.47 1dm7 s ARG 252 Cb -0.15 0.20 -0.05 0.00 -0.45 0.00 0.00 34.95 34.50 1dm7 s ARG 252 CO -0.08 -0.12 0.39 0.71 -0.68 0.00 0.00 175.30 175.53 1dm7 s TYR 253 N -1.41 3.67 0.72 -0.53 2.02 -1.26 -0.61 117.35 119.96 1dm7 s TYR 253 Ca -0.15 0.92 -0.16 0.00 -0.37 0.00 0.00 57.07 57.31 1dm7 s TYR 253 Cb -0.08 -2.30 0.03 0.00 -0.40 0.00 0.00 41.96 39.21 1dm7 s TYR 253 CO 0.02 0.56 1.25 0.00 -1.57 0.00 0.00 175.55 175.81 1dm7 s ALA 254 N -0.73 2.13 -0.26 3.71 0.00 0.10 -4.13 121.76 122.57 1dm7 s ALA 254 Ca 0.23 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.25 1dm7 s ALA 254 Cb -0.16 -3.53 0.07 0.00 0.00 0.00 0.00 23.12 19.50 1dm7 s ALA 254 CO 0.12 -1.92 -0.06 0.20 0.00 0.00 0.00 175.76 174.10 1dm7 s GLY 255 N -1.74 1.48 -0.38 0.00 0.00 -1.25 -1.46 107.32 103.97 1dm7 s GLY 255 Ca 0.78 -1.63 -0.11 0.00 0.00 0.00 0.00 44.72 43.76 1dm7 s GLY 255 CO 0.45 0.83 0.22 -0.19 0.00 0.00 0.00 173.10 174.41 1dm7 s TYR 256 N 1.25 3.25 0.02 1.90 1.51 0.14 -4.19 117.35 121.22 1dm7 s TYR 256 Ca -0.05 -0.95 -0.30 0.00 -1.01 0.00 0.00 57.07 54.76 1dm7 s TYR 256 Cb -0.19 -2.46 -0.07 0.00 -0.11 0.00 0.00 41.96 39.13 1dm7 s TYR 256 CO -0.07 -0.65 1.53 1.03 -1.11 0.00 0.00 175.55 176.28 1dm7 s ARG 257 N 1.56 4.24 0.00 -0.62 0.52 -1.26 -0.37 118.95 123.01 1dm7 s ARG 257 Ca 0.02 2.13 0.00 0.00 -0.52 0.00 0.00 55.73 57.36 1dm7 s ARG 257 Cb -0.19 -3.63 0.00 0.00 0.52 0.00 0.00 34.95 31.65 1dm7 s ARG 257 CO 0.07 -0.67 0.00 1.04 0.02 0.00 0.00 175.30 175.76 1dm7 n GLN 258 N 5.67 2.02 -0.06 3.54 1.13 -0.44 -4.95 117.38 124.29 1dm7 n GLN 258 Ca 0.15 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.19 1dm7 n GLN 258 Cb 0.42 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.77 1dm7 n GLN 258 CO 0.00 0.00 0.00 -0.56 -1.44 0.00 0.00 177.06 175.06 1dm7 h GLN 259 N 0.00 0.00 -2.24 -1.09 -0.00 -1.94 -3.40 115.11 106.44 1dm7 h GLN 259 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 58.65 58.33 1dm7 h GLN 259 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.43 1dm7 h GLN 259 CO 0.00 0.01 0.67 -0.40 -0.00 0.00 0.00 178.83 179.11 1dm7 n ASP 260 N -4.72 6.16 0.00 0.06 5.75 -1.26 -4.77 116.55 117.77 1dm7 n ASP 260 Ca -0.03 -2.54 0.00 0.00 -0.01 0.00 0.00 54.79 52.21 1dm7 n ASP 260 Cb 0.10 -1.44 0.00 0.00 -1.03 0.00 0.00 41.12 38.75 1dm7 n ASP 260 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dm7 n GLY 261 N 2.67 0.47 3.52 6.12 0.00 -1.26 -4.93 105.19 111.77 1dm7 n GLY 261 Ca 0.52 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.25 1dm7 n GLY 261 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dm7 s SER 262 N -0.55 1.26 -0.01 1.61 1.04 -1.26 -4.74 113.70 111.05 1dm7 s SER 262 Ca 0.00 1.52 0.02 0.00 0.48 0.00 0.00 55.95 57.97 1dm7 s SER 262 Cb 0.00 -2.27 -0.00 0.00 0.10 0.00 0.00 66.02 63.85 1dm7 s SER 262 CO 0.00 -4.03 -0.05 -0.69 0.98 0.00 0.00 173.24 169.45 1dm7 s VAL 263 N -2.53 0.46 -0.20 5.02 1.01 -1.26 -1.33 120.40 121.56 1dm7 s VAL 263 Ca 0.68 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 62.35 1dm7 s VAL 263 Cb -0.24 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1dm7 s VAL 263 CO 0.63 0.14 0.09 -0.60 0.00 0.00 0.00 175.10 175.37 1dm7 s ARG 264 N 0.03 3.99 0.01 2.72 3.52 0.50 -4.92 118.95 124.80 1dm7 s ARG 264 Ca 0.00 -0.33 0.00 0.00 -0.13 0.00 0.00 55.73 55.27 1dm7 s ARG 264 Cb -0.04 -3.32 0.00 0.00 -1.56 0.00 0.00 34.95 30.03 1dm7 s ARG 264 CO -0.00 0.18 0.00 0.41 -0.81 0.00 0.00 175.30 175.08 1dm7 n GLY 265 N 3.83 0.68 3.43 8.12 0.00 -1.26 0.26 105.19 120.25 1dm7 n GLY 265 Ca -0.16 -1.70 -0.44 0.00 0.00 0.00 0.00 46.02 43.72 1dm7 n GLY 265 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dm7 s ASP 266 N -4.00 6.21 0.59 1.61 3.68 -0.53 -4.72 116.67 119.50 1dm7 s ASP 266 Ca 0.00 -1.04 0.29 0.00 2.13 0.00 0.00 52.55 53.92 1dm7 s ASP 266 Cb 0.00 -2.27 1.50 0.00 -1.45 0.00 0.00 42.92 40.70 1dm7 s ASP 266 CO 0.00 -0.88 1.92 -0.65 0.13 0.00 0.00 175.17 175.69 1dm7 h PRO 267 N 8.97 0.00 0.00 4.34 0.11 -1.84 0.11 132.00 143.69 1dm7 h PRO 267 Ca -0.28 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 1dm7 h PRO 267 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1dm7 h PRO 267 CO 0.97 0.00 -0.10 0.00 -0.21 0.00 0.00 178.00 178.65 1dm7 h ALA 268 N 1.48 1.05 -0.52 -0.75 0.00 -1.92 -3.08 119.26 115.54 1dm7 h ALA 268 Ca 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1dm7 h ALA 268 Cb 1.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1dm7 h ALA 268 CO -0.00 0.13 0.00 0.09 0.00 0.00 0.00 179.25 179.47 1dm7 n ASN 269 N -3.29 3.65 -0.24 0.00 3.02 0.37 -4.69 115.26 114.08 1dm7 n ASN 269 Ca -0.00 -2.15 -0.02 0.00 -0.03 0.00 0.00 54.58 52.37 1dm7 n ASN 269 Cb 0.33 -0.40 0.04 0.00 -0.61 0.00 0.00 39.78 39.14 1dm7 n ASN 269 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1dm7 h VAL 270 N 3.10 0.19 0.25 2.41 2.07 -1.59 -0.19 116.25 122.49 1dm7 h VAL 270 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1dm7 h VAL 270 Cb 0.99 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1dm7 h VAL 270 CO 0.06 0.00 -0.12 -0.08 0.02 0.00 0.00 177.57 177.44 1dm7 h GLU 271 N -0.08 -0.33 -0.45 1.57 4.81 -1.87 -0.97 114.58 117.27 1dm7 h GLU 271 Ca 0.29 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.53 1dm7 h GLU 271 Cb 0.55 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1dm7 h GLU 271 CO -0.74 -0.21 0.23 0.97 -0.73 0.00 0.00 179.01 178.53 1dm7 h ILE 272 N -0.34 1.15 -0.07 2.32 6.09 -1.80 -0.77 117.51 124.09 1dm7 h ILE 272 Ca -0.03 -0.39 -0.00 0.00 -1.37 0.00 0.00 64.86 63.06 1dm7 h ILE 272 Cb 0.26 0.56 -0.00 0.00 0.47 0.00 0.00 36.82 38.11 1dm7 h ILE 272 CO 0.06 0.17 0.02 0.74 -3.07 0.00 0.00 178.15 176.07 1dm7 h THR 273 N 0.62 1.15 -0.97 2.19 2.02 -0.80 -2.10 112.91 115.03 1dm7 h THR 273 Ca 0.16 -0.46 0.03 0.00 0.77 0.00 0.00 66.41 66.91 1dm7 h THR 273 Cb 0.04 1.34 -0.05 0.00 -1.74 0.00 0.00 68.15 67.74 1dm7 h THR 273 CO -0.02 0.13 0.64 -0.33 0.37 0.00 0.00 175.52 176.30 1dm7 h GLU 274 N -0.07 1.21 -0.61 6.66 5.08 -0.36 -1.53 114.58 124.96 1dm7 h GLU 274 Ca 0.02 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1dm7 h GLU 274 Cb 0.19 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1dm7 h GLU 274 CO -0.00 0.80 0.17 -0.07 -1.00 0.00 0.00 179.01 178.91 1dm7 h LEU 275 N 1.24 0.87 0.23 1.33 3.38 -1.00 -2.11 115.31 119.26 1dm7 h LEU 275 Ca 0.38 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1dm7 h LEU 275 Cb -0.03 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1dm7 h LEU 275 CO -0.11 0.83 -0.11 0.00 0.09 0.00 0.00 178.44 179.14 1dm7 h ILE 277 N -0.46 0.91 0.00 0.00 2.04 -1.30 0.16 117.51 118.86 1dm7 h ILE 277 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1dm7 h ILE 277 Cb 0.35 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1dm7 h ILE 277 CO 0.05 0.00 0.00 1.67 0.00 0.00 0.00 178.15 179.87 1dm7 n GLN 278 N -4.47 0.35 -0.28 2.37 7.27 -0.80 -2.72 117.38 119.10 1dm7 n GLN 278 Ca 0.00 0.06 0.08 0.00 0.07 0.00 0.00 57.00 57.21 1dm7 n GLN 278 Cb 0.21 -1.50 0.17 0.00 2.41 0.00 0.00 30.24 31.53 1dm7 n GLN 278 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1dm7 n HIS 279 N -1.27 0.00 -0.40 3.69 8.25 0.53 -4.96 115.22 121.05 1dm7 n HIS 279 Ca 0.11 -1.20 0.00 0.00 -0.26 0.00 0.00 57.72 56.38 1dm7 n HIS 279 Cb 0.18 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1dm7 n HIS 279 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dm7 n GLY 280 N -1.31 0.76 3.76 -1.41 0.00 -1.10 -4.82 105.19 101.07 1dm7 n GLY 280 Ca 0.17 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 1dm7 n GLY 280 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1dm7 s TRP 281 N -2.00 3.62 -0.50 1.61 -0.00 -0.95 -5.00 118.94 115.72 1dm7 s TRP 281 Ca 0.00 1.03 -0.24 0.00 -0.00 0.00 0.00 56.10 56.89 1dm7 s TRP 281 Cb 0.00 -2.53 0.03 0.00 -0.00 0.00 0.00 33.47 30.97 1dm7 s TRP 281 CO 0.00 0.32 0.89 0.99 -0.00 0.00 0.00 176.95 179.15 1dm7 s THR 282 N 0.01 4.50 0.67 5.86 2.01 -1.26 -4.34 115.64 123.08 1dm7 s THR 282 Ca 0.28 0.43 -0.16 0.00 0.31 0.00 0.00 61.69 62.55 1dm7 s THR 282 Cb -0.17 -4.44 0.00 0.00 0.01 0.00 0.00 72.50 67.90 1dm7 s THR 282 CO 0.14 -0.92 1.15 -2.16 -0.69 0.00 0.00 174.62 172.14 1dm7 s PRO 283 N 3.68 2.65 0.00 4.92 0.04 -1.26 -5.06 135.00 139.96 1dm7 s PRO 283 Ca 0.32 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1dm7 s PRO 283 Cb -0.12 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1dm7 s PRO 283 CO 0.22 -1.40 0.00 0.41 0.04 0.00 0.00 177.00 176.27 1dm7 n GLY 284 N -0.07 1.60 0.86 0.56 0.00 -1.26 -5.06 105.19 101.81 1dm7 n GLY 284 Ca 0.12 -1.88 -0.00 0.00 0.00 0.00 0.00 46.02 44.25 1dm7 n GLY 284 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1dm7 n ASN 285 N 0.00 0.05 -5.01 1.61 6.94 -1.26 -5.10 115.26 112.49 1dm7 n ASN 285 Ca 0.00 -1.76 -0.21 0.00 -0.02 0.00 0.00 54.58 52.59 1dm7 n ASN 285 Cb 0.00 -0.08 0.05 0.00 -2.36 0.00 0.00 39.78 37.39 1dm7 n ASN 285 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1dm7 s GLY 286 N -1.02 1.87 0.26 4.83 0.00 -1.26 -5.03 107.32 106.97 1dm7 s GLY 286 Ca 0.09 -1.95 0.22 0.00 0.00 0.00 0.00 44.72 43.08 1dm7 s GLY 286 CO -0.04 -1.76 1.17 3.21 0.00 0.00 0.00 173.10 175.68 1dm7 h ARG 287 N 0.29 0.00 -1.90 2.90 3.08 -1.92 -3.38 114.38 113.45 1dm7 h ARG 287 Ca -0.31 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.22 1dm7 h ARG 287 Cb 1.29 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.93 1dm7 h ARG 287 CO 0.44 0.02 -0.92 1.19 -1.07 0.00 0.00 179.97 179.63 1dm7 n PHE 288 N -2.80 2.26 -3.11 3.04 3.01 -1.26 -4.20 117.46 114.40 1dm7 n PHE 288 Ca 0.01 -3.64 -0.42 0.00 1.01 0.00 0.00 57.45 54.41 1dm7 n PHE 288 Cb 0.56 -0.39 -0.07 0.00 -0.01 0.00 0.00 39.48 39.58 1dm7 n PHE 288 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1dm7 s ASP 289 N -3.09 6.39 0.03 4.37 1.01 -1.26 -4.94 116.67 119.19 1dm7 s ASP 289 Ca 0.43 0.01 -0.30 0.00 0.71 0.00 0.00 52.55 53.40 1dm7 s ASP 289 Cb 0.35 -2.32 -0.09 0.00 1.01 0.00 0.00 42.92 41.86 1dm7 s ASP 289 CO -0.10 -0.64 1.99 -0.69 0.21 0.00 0.00 175.17 175.93 1dm7 s VAL 290 N 2.74 3.01 0.63 -1.27 1.01 -1.26 -0.72 120.40 124.53 1dm7 s VAL 290 Ca 0.24 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 62.07 1dm7 s VAL 290 Cb -0.14 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 1dm7 s VAL 290 CO 0.16 -0.00 1.10 -0.76 0.00 0.00 0.00 175.10 175.60 1dm7 s LEU 291 N 4.63 3.46 0.72 3.92 1.43 0.22 -4.88 118.68 128.19 1dm7 s LEU 291 Ca 0.89 1.96 -0.07 0.00 -1.03 0.00 0.00 54.13 55.88 1dm7 s LEU 291 Cb -0.42 -4.55 0.07 0.00 0.03 0.00 0.00 46.19 41.31 1dm7 s LEU 291 CO 0.42 -1.45 1.04 -2.16 0.23 0.00 0.00 176.35 174.43 1dm7 s PRO 292 N -4.00 2.15 -0.13 1.29 0.04 -1.26 -4.77 135.00 128.32 1dm7 s PRO 292 Ca 0.67 -0.22 -0.06 0.00 0.04 0.00 0.00 61.00 61.42 1dm7 s PRO 292 Cb -0.19 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 1dm7 s PRO 292 CO 0.38 -1.29 0.09 -0.51 0.04 0.00 0.00 177.00 175.71 1dm7 s LEU 293 N -5.29 4.07 -0.59 -3.56 1.43 0.52 -4.92 118.68 110.33 1dm7 s LEU 293 Ca 0.61 0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 53.92 1dm7 s LEU 293 Cb -0.11 -1.99 0.15 0.00 0.03 0.00 0.00 46.19 44.28 1dm7 s LEU 293 CO 0.45 0.34 0.46 -0.76 0.23 0.00 0.00 176.35 177.08 1dm7 s LEU 294 N -0.62 5.79 0.00 1.79 1.43 -1.26 -1.01 118.68 124.80 1dm7 s LEU 294 Ca 0.12 -2.37 -0.11 0.00 -1.03 0.00 0.00 54.13 50.74 1dm7 s LEU 294 Cb -0.12 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 1dm7 s LEU 294 CO 0.02 -0.57 0.34 -0.76 0.23 0.00 0.00 176.35 175.61 1dm7 s LEU 295 N 0.66 4.41 -0.05 1.79 1.43 -0.32 -1.98 118.68 124.62 1dm7 s LEU 295 Ca 0.12 0.76 0.01 0.00 -1.03 0.00 0.00 54.13 53.99 1dm7 s LEU 295 Cb -0.21 -2.63 0.02 0.00 0.03 0.00 0.00 46.19 43.40 1dm7 s LEU 295 CO -0.03 0.28 -0.07 -1.58 0.23 0.00 0.00 176.35 175.18 1dm7 s GLN 296 N -1.43 1.12 0.26 1.70 0.74 -0.42 0.66 119.66 122.29 1dm7 s GLN 296 Ca 0.26 -0.20 0.01 0.00 0.05 0.00 0.00 55.36 55.48 1dm7 s GLN 296 Cb -0.14 -1.04 -0.04 0.00 1.10 0.00 0.00 33.01 32.89 1dm7 s GLN 296 CO 0.14 -0.06 0.43 0.00 -0.55 0.00 0.00 175.29 175.25 1dm7 s ALA 297 N 0.88 3.82 0.16 1.58 0.00 -1.26 -1.38 121.76 125.55 1dm7 s ALA 297 Ca -0.11 -0.97 -0.30 0.00 0.00 0.00 0.00 51.96 50.58 1dm7 s ALA 297 Cb -0.15 -1.96 -0.17 0.00 0.00 0.00 0.00 23.12 20.84 1dm7 s ALA 297 CO 0.01 0.23 0.61 -2.30 0.00 0.00 0.00 175.76 174.31 1dm7 n PRO 298 N -1.24 0.00 -2.86 0.00 -0.02 -1.25 -2.06 135.00 127.56 1dm7 n PRO 298 Ca -0.06 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.31 1dm7 n PRO 298 Cb 0.55 -1.07 -0.02 0.00 -0.02 0.00 0.00 33.50 32.94 1dm7 n PRO 298 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1dm7 n ASP 299 N 1.85 -1.12 -4.36 2.55 8.00 -1.26 -4.89 116.55 117.32 1dm7 n ASP 299 Ca 0.18 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.48 1dm7 n ASP 299 Cb 0.21 -1.06 -0.10 0.00 -0.02 0.00 0.00 41.12 40.15 1dm7 n ASP 299 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1dm7 s GLU 300 N -5.13 1.37 0.41 -1.24 0.41 -0.87 -5.08 118.70 108.57 1dm7 s GLU 300 Ca 0.22 -1.58 -0.25 0.00 -0.41 0.00 0.00 54.97 52.95 1dm7 s GLU 300 Cb -0.13 -1.26 -0.08 0.00 -1.78 0.00 0.00 34.13 30.88 1dm7 s GLU 300 CO 0.27 0.22 1.13 0.00 -0.49 0.00 0.00 175.26 176.39 1dm7 s ALA 301 N -2.72 3.11 0.65 5.21 0.00 -1.26 -4.61 121.76 122.14 1dm7 s ALA 301 Ca 0.22 0.89 -0.17 0.00 0.00 0.00 0.00 51.96 52.90 1dm7 s ALA 301 Cb -0.02 -3.35 -0.00 0.00 0.00 0.00 0.00 23.12 19.74 1dm7 s ALA 301 CO 0.08 -0.45 1.20 -1.25 0.00 0.00 0.00 175.76 175.34 1dm7 s PRO 302 N -2.39 2.61 0.14 0.00 0.04 -1.26 -4.72 135.00 129.42 1dm7 s PRO 302 Ca 0.58 1.78 0.07 0.00 0.04 0.00 0.00 61.00 63.46 1dm7 s PRO 302 Cb -0.28 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1dm7 s PRO 302 CO 0.35 -1.48 -0.01 -1.21 0.04 0.00 0.00 177.00 174.69 1dm7 s GLU 303 N -3.63 2.41 -0.10 4.56 2.02 0.21 -4.89 118.70 119.29 1dm7 s GLU 303 Ca 0.76 -1.01 -0.10 0.00 0.02 0.00 0.00 54.97 54.64 1dm7 s GLU 303 Cb -0.29 -2.41 -0.05 0.00 0.10 0.00 0.00 34.13 31.48 1dm7 s GLU 303 CO 0.39 0.49 0.21 -1.17 0.02 0.00 0.00 175.26 175.20 1dm7 s LEU 304 N -2.66 4.38 -0.06 1.80 2.96 -1.26 -1.18 118.68 122.66 1dm7 s LEU 304 Ca 0.26 0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 54.71 1dm7 s LEU 304 Cb -0.10 -2.21 0.04 0.00 0.50 0.00 0.00 46.19 44.41 1dm7 s LEU 304 CO 0.18 0.35 0.13 -0.36 -1.32 0.00 0.00 176.35 175.32 1dm7 s PHE 305 N -0.80 -0.13 -0.00 5.38 0.40 -0.18 -4.98 117.98 117.67 1dm7 s PHE 305 Ca 0.16 0.44 -0.15 0.00 -0.60 0.00 0.00 56.93 56.79 1dm7 s PHE 305 Cb -0.13 -0.16 -0.06 0.00 0.51 0.00 0.00 43.02 43.19 1dm7 s PHE 305 CO 0.06 -0.17 0.42 0.08 0.70 0.00 0.00 175.22 176.30 1dm7 s VAL 306 N 1.40 5.02 0.06 -0.44 1.01 -1.26 -0.35 120.40 125.85 1dm7 s VAL 306 Ca -0.06 0.86 -0.26 0.00 0.00 0.00 0.00 61.98 62.52 1dm7 s VAL 306 Cb -0.12 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 1dm7 s VAL 306 CO -0.05 0.56 0.80 -0.76 0.00 0.00 0.00 175.10 175.65 1dm7 s LEU 307 N -0.98 4.47 -0.04 3.92 1.43 -1.26 -4.98 118.68 121.23 1dm7 s LEU 307 Ca 0.24 1.52 -0.30 0.00 -1.03 0.00 0.00 54.13 54.56 1dm7 s LEU 307 Cb -0.17 -3.30 -0.07 0.00 0.03 0.00 0.00 46.19 42.68 1dm7 s LEU 307 CO 0.13 0.01 1.96 -2.84 0.23 0.00 0.00 176.35 175.84 1dm7 s PRO 308 N -0.11 3.93 0.33 1.29 0.02 -1.26 -4.86 135.00 134.34 1dm7 s PRO 308 Ca 0.40 2.39 0.10 0.00 0.02 0.00 0.00 61.00 63.91 1dm7 s PRO 308 Cb -0.21 -4.17 0.97 0.00 0.02 0.00 0.00 34.50 31.11 1dm7 s PRO 308 CO 0.24 -1.18 1.63 -1.35 -0.33 0.00 0.00 177.00 176.01 1dm7 h PRO 309 N 11.33 0.19 0.00 5.54 0.11 -1.94 0.83 132.00 148.07 1dm7 h PRO 309 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1dm7 h PRO 309 Cb 1.23 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1dm7 h PRO 309 CO 0.95 0.13 0.00 -0.85 -0.21 0.00 0.00 178.00 178.02 1dm7 n GLU 310 N -5.19 0.05 0.01 1.05 0.00 -1.26 -1.54 120.64 113.77 1dm7 n GLU 310 Ca 0.28 0.45 0.00 0.00 0.00 0.00 0.00 57.16 57.89 1dm7 n GLU 310 Cb 0.91 -1.64 -0.10 0.00 0.00 0.00 0.00 31.44 30.61 1dm7 n GLU 310 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1dm7 n LEU 311 N -1.75 0.69 -4.38 -1.84 7.94 0.29 -4.70 117.00 113.25 1dm7 n LEU 311 Ca 0.01 0.30 -0.45 0.00 -1.11 0.00 0.00 56.01 54.76 1dm7 n LEU 311 Cb 0.09 0.11 -0.03 0.00 0.53 0.00 0.00 43.42 44.12 1dm7 n LEU 311 CO 0.08 0.16 0.62 -0.69 -1.11 0.00 0.00 177.39 176.46 1dm7 s VAL 312 N -2.94 5.14 0.24 1.96 1.01 -0.59 -4.82 120.40 120.40 1dm7 s VAL 312 Ca -0.04 -1.86 -0.30 0.00 0.00 0.00 0.00 61.98 59.79 1dm7 s VAL 312 Cb 0.09 -4.58 -0.09 0.00 0.00 0.00 0.00 36.38 31.79 1dm7 s VAL 312 CO 0.82 -1.22 1.27 -0.22 0.00 0.00 0.00 175.10 175.75 1dm7 s LEU 313 N 1.57 4.44 0.12 3.92 2.96 -1.26 -4.98 118.68 125.45 1dm7 s LEU 313 Ca 0.22 2.44 0.04 0.00 -0.22 0.00 0.00 54.13 56.61 1dm7 s LEU 313 Cb -0.11 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 1dm7 s LEU 313 CO -0.06 -0.46 -0.10 -1.61 -1.32 0.00 0.00 176.35 172.80 1dm7 s GLU 314 N -0.74 0.95 -0.22 1.98 2.02 -1.26 -2.25 118.70 119.18 1dm7 s GLU 314 Ca 0.53 -1.31 0.01 0.00 0.02 0.00 0.00 54.97 54.23 1dm7 s GLU 314 Cb -0.36 -0.58 0.05 0.00 0.10 0.00 0.00 34.13 33.34 1dm7 s GLU 314 CO 0.42 0.08 -0.11 0.08 0.02 0.00 0.00 175.26 175.75 1dm7 s VAL 315 N -2.89 1.83 0.30 2.63 1.01 0.59 -4.91 120.40 118.96 1dm7 s VAL 315 Ca 0.11 -1.20 -0.29 0.00 0.00 0.00 0.00 61.98 60.60 1dm7 s VAL 315 Cb -0.00 -1.90 -0.10 0.00 0.00 0.00 0.00 36.38 34.38 1dm7 s VAL 315 CO 0.00 0.13 1.23 -2.84 0.00 0.00 0.00 175.10 173.62 1dm7 s PRO 316 N 1.30 4.47 -0.17 2.72 0.02 -1.26 -2.06 135.00 140.01 1dm7 s PRO 316 Ca -0.03 2.05 -0.12 0.00 0.02 0.00 0.00 61.00 62.91 1dm7 s PRO 316 Cb -0.17 -3.13 -0.05 0.00 0.02 0.00 0.00 34.50 31.18 1dm7 s PRO 316 CO -0.08 -0.04 0.23 -0.51 -0.33 0.00 0.00 177.00 176.28 1dm7 s LEU 317 N -1.54 4.23 0.06 -5.54 1.43 0.63 -4.86 118.68 113.10 1dm7 s LEU 317 Ca 0.48 0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 53.96 1dm7 s LEU 317 Cb -0.36 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.55 1dm7 s LEU 317 CO 0.47 0.13 0.01 -1.83 0.23 0.00 0.00 176.35 175.37 1dm7 s GLU 318 N 0.40 0.66 0.01 1.70 -1.05 -1.26 -4.14 118.70 115.02 1dm7 s GLU 318 Ca 0.13 -1.17 -0.01 0.00 -0.15 0.00 0.00 54.97 53.78 1dm7 s GLU 318 Cb -0.12 0.24 -0.04 0.00 -0.44 0.00 0.00 34.13 33.76 1dm7 s GLU 318 CO 0.02 -0.14 0.13 -1.58 0.95 0.00 0.00 175.26 174.63 1dm7 s HIS 319 N -3.91 3.39 0.16 4.83 5.65 -1.26 -4.30 115.29 119.85 1dm7 s HIS 319 Ca 0.07 0.25 -0.20 0.00 0.25 0.00 0.00 55.06 55.42 1dm7 s HIS 319 Cb 0.07 -1.76 0.06 0.00 -1.18 0.00 0.00 32.58 29.78 1dm7 s HIS 319 CO -0.10 0.58 1.64 -1.35 -0.65 0.00 0.00 174.74 174.86 1dm7 h PRO 320 N 3.80 -0.15 0.00 2.88 0.11 -1.92 -3.37 132.00 133.35 1dm7 h PRO 320 Ca -0.48 0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 1dm7 h PRO 320 Cb 1.18 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1dm7 h PRO 320 CO 0.66 -0.10 -1.44 0.25 -0.21 0.00 0.00 178.00 177.16 1dm7 n THR 321 N -5.36 0.44 -2.34 -1.15 -2.24 -1.26 -4.88 114.28 97.49 1dm7 n THR 321 Ca 0.00 -0.25 -0.35 0.00 -2.27 0.00 0.00 64.05 61.18 1dm7 n THR 321 Cb 0.27 -0.82 -0.04 0.00 -2.10 0.00 0.00 70.33 67.64 1dm7 n THR 321 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1dm7 s LEU 322 N -4.64 3.39 0.42 3.22 1.43 -1.26 -4.83 118.68 116.42 1dm7 s LEU 322 Ca -0.04 -1.38 0.27 0.00 -1.03 0.00 0.00 54.13 51.95 1dm7 s LEU 322 Cb 0.02 -2.57 1.37 0.00 0.03 0.00 0.00 46.19 45.04 1dm7 s LEU 322 CO 0.25 -2.05 1.64 1.05 0.23 0.00 0.00 176.35 177.47 1dm7 h GLU 323 N 9.93 0.12 0.00 1.70 -0.00 -1.90 -1.42 114.58 123.02 1dm7 h GLU 323 Ca 0.21 -0.01 -0.12 0.00 -0.00 0.00 0.00 59.36 59.44 1dm7 h GLU 323 Cb 0.98 -0.03 -0.02 0.00 -0.00 0.00 0.00 28.75 29.68 1dm7 h GLU 323 CO 1.34 0.08 -0.56 0.11 -0.00 0.00 0.00 179.01 179.98 1dm7 h TRP 324 N 0.12 0.00 -0.96 2.06 5.08 -1.95 -3.35 115.95 116.95 1dm7 h TRP 324 Ca 0.80 0.00 0.21 0.00 1.08 0.00 0.00 58.89 60.98 1dm7 h TRP 324 Cb 2.39 0.00 -0.18 0.00 -3.00 0.00 0.00 29.16 28.37 1dm7 h TRP 324 CO -0.01 0.56 -0.15 0.35 -1.28 0.00 0.00 178.44 177.92 1dm7 h PHE 325 N 0.00 -0.36 -0.58 0.12 3.57 -1.63 0.63 116.94 118.70 1dm7 h PHE 325 Ca -0.01 0.08 0.17 0.00 3.53 0.00 0.00 57.97 61.74 1dm7 h PHE 325 Cb 1.04 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 40.07 1dm7 h PHE 325 CO 0.00 -0.41 0.44 0.00 -2.23 0.00 0.00 178.31 176.10 1dm7 h ALA 326 N 1.96 2.50 -0.60 2.41 0.00 -1.72 -0.91 119.26 122.90 1dm7 h ALA 326 Ca 0.50 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.49 1dm7 h ALA 326 Cb 0.86 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 1dm7 h ALA 326 CO -0.96 -0.74 0.21 0.00 0.00 0.00 0.00 179.25 177.77 1dm7 h ALA 327 N 1.67 0.77 -0.90 0.00 0.00 0.04 -0.86 119.26 119.98 1dm7 h ALA 327 Ca 0.27 0.09 0.26 0.00 0.00 0.00 0.00 54.91 55.53 1dm7 h ALA 327 Cb 1.15 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1dm7 h ALA 327 CO -0.00 -0.21 1.00 -0.07 0.00 0.00 0.00 179.25 179.97 1dm7 h LEU 328 N 0.38 0.00 0.46 0.00 3.38 -1.26 -3.44 115.31 114.84 1dm7 h LEU 328 Ca 0.31 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 58.00 1dm7 h LEU 328 Cb 0.39 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.19 1dm7 h LEU 328 CO -0.32 0.00 -0.41 0.61 0.09 0.00 0.00 178.44 178.41 1dm7 n GLY 329 N -1.66 -0.12 3.87 0.83 0.00 -0.33 -5.01 105.19 102.77 1dm7 n GLY 329 Ca 0.20 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1dm7 n GLY 329 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dm7 s LEU 330 N -4.66 4.05 0.20 0.99 1.43 -1.26 -4.97 118.68 114.45 1dm7 s LEU 330 Ca 0.21 1.08 -0.20 0.00 -1.03 0.00 0.00 54.13 54.18 1dm7 s LEU 330 Cb -0.09 -3.88 0.04 0.00 0.03 0.00 0.00 46.19 42.28 1dm7 s LEU 330 CO 0.26 -0.20 0.60 0.00 0.23 0.00 0.00 176.35 177.24 1dm7 s ARG 331 N -3.15 1.44 0.06 1.70 1.70 -1.26 -0.27 118.95 119.17 1dm7 s ARG 331 Ca 0.50 -0.75 -0.14 0.00 -0.47 0.00 0.00 55.73 54.87 1dm7 s ARG 331 Cb -0.11 0.57 0.02 0.00 -0.57 0.00 0.00 34.95 34.86 1dm7 s ARG 331 CO 0.22 -0.63 0.33 -0.46 -1.08 0.00 0.00 175.30 173.68 1dm7 s TRP 332 N -3.84 -0.12 0.28 5.89 -0.11 -0.87 -4.94 118.94 115.22 1dm7 s TRP 332 Ca 0.07 -0.05 -0.17 0.00 1.22 0.00 0.00 56.10 57.17 1dm7 s TRP 332 Cb -0.02 0.13 -0.09 0.00 -1.50 0.00 0.00 33.47 31.99 1dm7 s TRP 332 CO -0.04 -0.55 0.72 1.52 -4.62 0.00 0.00 176.95 173.98 1dm7 s TYR 333 N -2.89 3.49 0.25 5.86 -0.85 -1.26 -0.30 117.35 121.64 1dm7 s TYR 333 Ca -0.03 1.27 0.09 0.00 -0.52 0.00 0.00 57.07 57.88 1dm7 s TYR 333 Cb 0.00 -2.56 0.27 0.00 0.38 0.00 0.00 41.96 40.05 1dm7 s TYR 333 CO -0.05 0.20 1.56 0.00 -1.52 0.00 0.00 175.55 175.74 1dm7 h ALA 334 N 2.75 0.88 -2.49 9.51 0.00 -1.80 -3.44 119.26 124.66 1dm7 h ALA 334 Ca -0.48 -0.60 -0.72 0.00 0.00 0.00 0.00 54.91 53.11 1dm7 h ALA 334 Cb 1.18 -0.10 -0.21 0.00 0.00 0.00 0.00 17.79 18.66 1dm7 h ALA 334 CO 0.65 0.82 -0.42 -1.17 0.00 0.00 0.00 179.25 179.14 1dm7 s LEU 335 N -7.54 5.15 -0.68 0.00 2.96 -1.26 -4.50 118.68 112.80 1dm7 s LEU 335 Ca -0.01 -0.96 -0.21 0.00 -0.22 0.00 0.00 54.13 52.72 1dm7 s LEU 335 Cb 0.12 -2.15 0.09 0.00 0.50 0.00 0.00 46.19 44.74 1dm7 s LEU 335 CO 0.78 -0.47 0.94 -2.16 -1.32 0.00 0.00 176.35 174.11 1dm7 s PRO 336 N 1.67 3.17 -0.38 0.98 0.04 -1.26 -4.67 135.00 134.54 1dm7 s PRO 336 Ca 0.05 -1.06 0.03 0.00 0.04 0.00 0.00 61.00 60.05 1dm7 s PRO 336 Cb -0.20 -4.33 0.11 0.00 0.04 0.00 0.00 34.50 30.12 1dm7 s PRO 336 CO 0.09 -1.76 0.13 0.00 0.04 0.00 0.00 177.00 175.50 1dm7 s ALA 337 N 3.60 2.56 0.21 8.56 0.00 -1.26 -3.40 121.76 132.03 1dm7 s ALA 337 Ca 0.21 -2.49 -0.30 0.00 0.00 0.00 0.00 51.96 49.38 1dm7 s ALA 337 Cb -0.17 -1.92 -0.09 0.00 0.00 0.00 0.00 23.12 20.95 1dm7 s ALA 337 CO 0.07 -1.80 1.35 0.08 0.00 0.00 0.00 175.76 175.45 1dm7 s VAL 338 N 0.75 3.04 0.00 0.00 1.01 -0.59 -0.73 120.40 123.89 1dm7 s VAL 338 Ca 0.13 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.97 1dm7 s VAL 338 Cb -0.21 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1dm7 s VAL 338 CO -0.09 0.13 0.39 -1.54 0.00 0.00 0.00 175.10 173.99 1dm7 n SER 339 N 2.57 0.54 -0.77 3.32 3.41 0.98 -2.05 113.62 121.63 1dm7 n SER 339 Ca 0.06 -1.15 0.07 0.00 -0.26 0.00 0.00 58.87 57.59 1dm7 n SER 339 Cb 0.42 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.53 1dm7 n SER 339 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1dm7 n ASN 340 N -0.08 2.92 -4.95 4.04 2.04 -1.20 -4.49 115.26 113.54 1dm7 n ASN 340 Ca 0.00 -1.88 -0.23 0.00 -0.44 0.00 0.00 54.58 52.03 1dm7 n ASN 340 Cb 0.25 -0.21 0.01 0.00 -2.53 0.00 0.00 39.78 37.30 1dm7 n ASN 340 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 1dm7 s MET 341 N -1.07 3.11 -0.11 -3.83 -1.94 -1.26 -4.32 119.30 109.87 1dm7 s MET 341 Ca 0.26 -0.45 0.00 0.00 -1.71 0.00 0.00 55.69 53.80 1dm7 s MET 341 Cb 0.15 -2.56 -0.02 0.00 2.01 0.00 0.00 34.83 34.41 1dm7 s MET 341 CO 0.20 -0.24 -0.12 -1.17 -0.01 0.00 0.00 175.02 173.68 1dm7 s LEU 342 N -4.55 2.83 -0.24 -0.03 0.20 0.14 -4.34 118.68 112.69 1dm7 s LEU 342 Ca 0.48 -0.25 -0.13 0.00 0.69 0.00 0.00 54.13 54.92 1dm7 s LEU 342 Cb -0.10 -1.63 -0.04 0.00 -0.43 0.00 0.00 46.19 43.99 1dm7 s LEU 342 CO 0.38 0.22 0.29 -0.22 -0.29 0.00 0.00 176.35 176.73 1dm7 s LEU 343 N 0.04 4.10 -0.16 -0.68 2.96 -0.75 -0.20 118.68 124.00 1dm7 s LEU 343 Ca -0.04 0.28 -0.00 0.00 -0.22 0.00 0.00 54.13 54.15 1dm7 s LEU 343 Cb -0.14 -2.31 -0.00 0.00 0.50 0.00 0.00 46.19 44.23 1dm7 s LEU 343 CO 0.04 -0.04 -0.14 -0.70 -1.32 0.00 0.00 176.35 174.18 1dm7 s GLU 344 N 1.41 3.25 -0.04 1.98 -6.30 -0.19 -0.43 118.70 118.38 1dm7 s GLU 344 Ca 0.13 -0.73 -0.01 0.00 -2.50 0.00 0.00 54.97 51.86 1dm7 s GLU 344 Cb -0.15 -2.66 0.03 0.00 0.00 0.00 0.00 34.13 31.35 1dm7 s GLU 344 CO 0.07 0.02 0.03 0.42 0.02 0.00 0.00 175.26 175.82 1dm7 s ILE 345 N 0.83 0.04 -1.54 -3.70 1.01 -0.54 -1.89 121.20 115.42 1dm7 s ILE 345 Ca -0.05 0.24 -0.14 0.00 0.00 0.00 0.00 60.65 60.70 1dm7 s ILE 345 Cb -0.15 -0.21 0.11 0.00 0.01 0.00 0.00 42.46 42.21 1dm7 s ILE 345 CO -0.00 0.16 0.80 0.61 0.00 0.00 0.00 174.94 176.50 1dm7 n GLY 346 N 4.65 -0.48 3.03 6.18 0.00 -1.26 -0.11 105.19 117.20 1dm7 n GLY 346 Ca -0.17 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1dm7 n GLY 346 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dm7 n GLY 347 N -1.46 2.91 3.81 -0.02 0.00 -1.26 -3.81 105.19 105.36 1dm7 n GLY 347 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1dm7 n GLY 347 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dm7 s LEU 348 N 0.00 4.42 -0.13 0.99 1.43 0.85 -5.02 118.68 121.22 1dm7 s LEU 348 Ca 0.00 1.46 0.01 0.00 -1.03 0.00 0.00 54.13 54.57 1dm7 s LEU 348 Cb 0.00 -3.45 -0.01 0.00 0.03 0.00 0.00 46.19 42.77 1dm7 s LEU 348 CO 0.00 0.10 -0.18 -1.61 0.23 0.00 0.00 176.35 174.89 1dm7 s GLU 349 N -1.69 3.22 -0.58 1.70 2.02 -1.26 -1.47 118.70 120.64 1dm7 s GLU 349 Ca 0.40 -0.77 -0.06 0.00 0.02 0.00 0.00 54.97 54.56 1dm7 s GLU 349 Cb -0.18 -2.51 0.15 0.00 0.10 0.00 0.00 34.13 31.69 1dm7 s GLU 349 CO 0.22 0.15 0.42 -0.06 0.02 0.00 0.00 175.26 176.02 1dm7 s PHE 350 N 0.46 3.49 0.01 1.61 0.08 0.42 0.67 117.98 124.72 1dm7 s PHE 350 Ca -0.12 -2.41 0.31 0.00 0.12 0.00 0.00 56.93 54.83 1dm7 s PHE 350 Cb -0.16 -3.34 1.47 0.00 -0.57 0.00 0.00 43.02 40.41 1dm7 s PHE 350 CO 0.05 -0.91 1.93 0.66 -0.10 0.00 0.00 175.22 176.85 1dm7 h SER 351 N 7.58 0.00 -2.88 1.36 4.64 -1.82 -1.99 113.55 120.45 1dm7 h SER 351 Ca -0.06 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.67 1dm7 h SER 351 Cb 1.00 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.70 1dm7 h SER 351 CO 0.75 0.00 -0.82 0.00 -0.87 0.00 0.00 176.83 175.89 1dm7 s ALA 352 N -3.66 1.41 -0.46 5.18 0.00 -1.24 -4.69 121.76 118.30 1dm7 s ALA 352 Ca -0.00 -2.18 0.07 0.00 0.00 0.00 0.00 51.96 49.85 1dm7 s ALA 352 Cb 0.09 -1.70 0.24 0.00 0.00 0.00 0.00 23.12 21.75 1dm7 s ALA 352 CO 0.40 -2.08 0.54 0.00 0.00 0.00 0.00 175.76 174.62 1dm7 n ALA 353 N 3.75 2.87 -1.70 0.00 0.00 -1.26 -1.76 120.51 122.42 1dm7 n ALA 353 Ca 0.12 -3.70 -0.43 0.00 0.00 0.00 0.00 53.44 49.43 1dm7 n ALA 353 Cb 0.37 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 1dm7 n ALA 353 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1dm7 n PRO 354 N 1.49 2.60 -4.23 0.00 -0.04 -1.07 -4.66 135.00 129.09 1dm7 n PRO 354 Ca 0.24 0.94 -0.18 0.00 -0.04 0.00 0.00 63.50 64.46 1dm7 n PRO 354 Cb 0.49 -2.77 -0.11 0.00 -0.04 0.00 0.00 33.50 31.07 1dm7 n PRO 354 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1dm7 s PHE 355 N 1.24 1.37 0.09 0.54 -0.12 -0.87 -0.92 117.98 119.31 1dm7 s PHE 355 Ca 0.77 -0.54 -0.17 0.00 -0.05 0.00 0.00 56.93 56.93 1dm7 s PHE 355 Cb -0.55 -0.73 0.04 0.00 -0.63 0.00 0.00 43.02 41.15 1dm7 s PHE 355 CO 0.34 0.13 0.41 -1.54 -0.05 0.00 0.00 175.22 174.51 1dm7 s SER 356 N -2.34 -0.26 0.00 1.98 1.04 0.19 -1.54 113.70 112.77 1dm7 s SER 356 Ca 0.07 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.33 1dm7 s SER 356 Cb -0.06 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1dm7 s SER 356 CO 0.03 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.09 1dm7 n GLY 357 N 0.09 4.67 3.17 7.32 0.00 -1.22 -0.51 105.19 118.71 1dm7 n GLY 357 Ca -0.17 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 1dm7 n GLY 357 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1dm7 s TRP 358 N 3.51 0.92 0.44 1.61 -2.14 -1.26 -4.52 118.94 117.50 1dm7 s TRP 358 Ca 0.00 -1.08 -0.21 0.00 2.66 0.00 0.00 56.10 57.48 1dm7 s TRP 358 Cb 0.00 -0.54 -0.11 0.00 -3.10 0.00 0.00 33.47 29.72 1dm7 s TRP 358 CO 0.00 -0.33 0.96 0.71 -2.66 0.00 0.00 176.95 175.64 1dm7 s TYR 359 N -3.82 3.26 -0.20 1.66 2.02 -1.26 -4.93 117.35 114.08 1dm7 s TYR 359 Ca 0.19 1.60 -0.08 0.00 -0.37 0.00 0.00 57.07 58.41 1dm7 s TYR 359 Cb 0.07 -2.88 -0.04 0.00 -0.40 0.00 0.00 41.96 38.70 1dm7 s TYR 359 CO -0.01 -0.22 0.08 1.41 -1.57 0.00 0.00 175.55 175.24 1dm7 s MET 360 N -3.20 3.97 0.39 -0.62 -2.45 -1.26 -1.21 119.30 114.93 1dm7 s MET 360 Ca 0.63 -0.34 0.24 0.00 -1.25 0.00 0.00 55.69 54.97 1dm7 s MET 360 Cb -0.10 -3.30 1.36 0.00 1.25 0.00 0.00 34.83 34.04 1dm7 s MET 360 CO 0.14 0.19 1.60 0.66 1.05 0.00 0.00 175.02 178.66 1dm7 h SER 361 N 7.00 0.31 0.09 1.11 4.64 -1.05 -1.55 113.55 124.10 1dm7 h SER 361 Ca -0.37 0.21 -0.05 0.00 -0.47 0.00 0.00 61.79 61.10 1dm7 h SER 361 Cb 1.17 0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 1dm7 h SER 361 CO 0.69 -0.31 -0.17 0.71 -0.87 0.00 0.00 176.83 176.87 1dm7 h THR 362 N 0.06 1.18 -0.84 2.95 1.35 -1.94 -0.93 112.91 114.74 1dm7 h THR 362 Ca 0.84 -0.83 0.09 0.00 -0.55 0.00 0.00 66.41 65.96 1dm7 h THR 362 Cb 2.36 1.30 -0.06 0.00 -1.73 0.00 0.00 68.15 70.02 1dm7 h THR 362 CO -0.62 0.25 0.55 -0.33 -0.25 0.00 0.00 175.52 175.12 1dm7 h GLU 363 N 0.16 0.80 0.00 4.72 5.08 -1.69 0.04 114.58 123.69 1dm7 h GLU 363 Ca 0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1dm7 h GLU 363 Cb 0.41 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1dm7 h GLU 363 CO 0.03 0.53 -0.34 0.82 -1.00 0.00 0.00 179.01 179.04 1dm7 h ILE 364 N 0.82 0.00 -0.30 3.13 2.04 -1.63 -0.60 117.51 120.96 1dm7 h ILE 364 Ca 0.38 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 1dm7 h ILE 364 Cb 0.40 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 1dm7 h ILE 364 CO -0.15 0.00 0.18 1.23 0.00 0.00 0.00 178.15 179.41 1dm7 h GLY 365 N -0.87 0.43 0.00 5.37 0.00 -1.21 -1.35 103.07 105.43 1dm7 h GLY 365 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1dm7 h GLY 365 CO 0.00 0.16 -0.74 2.41 0.00 0.00 0.00 176.54 178.38 1dm7 n THR 366 N -4.47 1.23 0.27 4.70 -1.04 -0.06 -4.24 114.28 110.66 1dm7 n THR 366 Ca 0.01 0.22 -0.11 0.00 -2.04 0.00 0.00 64.05 62.13 1dm7 n THR 366 Cb 0.08 -2.13 -0.05 0.00 -1.82 0.00 0.00 70.33 66.41 1dm7 n THR 366 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1dm7 h ARG 367 N -0.74 -0.70 -0.57 -2.82 2.47 -1.47 -0.82 114.38 109.73 1dm7 h ARG 367 Ca 0.00 0.05 -0.06 0.00 -1.26 0.00 0.00 59.98 58.70 1dm7 h ARG 367 Cb 0.74 0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 29.19 1dm7 h ARG 367 CO 0.00 -0.47 0.10 -0.91 0.56 0.00 0.00 179.97 179.25 1dm7 h ASN 368 N -1.14 0.87 0.37 7.04 2.35 -1.11 -2.00 115.58 121.97 1dm7 h ASN 368 Ca -0.07 -0.18 -0.16 0.00 -0.55 0.00 0.00 56.30 55.33 1dm7 h ASN 368 Cb 0.56 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.67 1dm7 h ASN 368 CO 0.12 0.87 -1.77 0.18 -1.65 0.00 0.00 177.43 175.18 1dm7 n LEU 369 N -4.24 0.43 -0.00 1.61 4.77 -0.51 -2.50 117.00 116.56 1dm7 n LEU 369 Ca 0.04 0.19 0.06 0.00 -0.03 0.00 0.00 56.01 56.26 1dm7 n LEU 369 Cb 0.26 0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 41.43 1dm7 n LEU 369 CO 0.41 0.17 -0.26 0.00 -1.33 0.00 0.00 177.39 176.38 1dm7 n ASP 371 N -1.51 2.60 -0.29 0.00 10.43 -0.75 -4.51 116.55 122.51 1dm7 n ASP 371 Ca 0.00 1.12 -0.00 0.00 2.57 0.00 0.00 54.79 58.48 1dm7 n ASP 371 Cb 0.23 -1.50 0.19 0.00 1.84 0.00 0.00 41.12 41.88 1dm7 n ASP 371 CO 0.00 0.00 0.00 1.55 -1.07 0.00 0.00 177.20 177.68 1dm7 h PRO 372 N 2.14 1.12 -0.44 -0.24 0.13 -1.94 -1.85 132.00 130.91 1dm7 h PRO 372 Ca -0.48 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1dm7 h PRO 372 Cb 1.29 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1dm7 h PRO 372 CO 0.60 0.74 0.00 -2.39 -0.23 0.00 0.00 178.00 176.72 1dm7 n HIS 373 N -4.41 0.59 -0.77 1.56 1.44 -1.26 -4.57 115.22 107.80 1dm7 n HIS 373 Ca 0.10 -0.28 0.00 0.00 -2.01 0.00 0.00 57.72 55.53 1dm7 n HIS 373 Cb 0.04 -0.03 0.00 0.00 0.12 0.00 0.00 29.99 30.12 1dm7 n HIS 373 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1dm7 n ARG 374 N 0.65 3.42 0.32 -1.40 5.12 -0.74 -4.30 116.66 119.73 1dm7 n ARG 374 Ca 0.14 0.00 0.20 0.00 -1.93 0.00 0.00 57.85 56.26 1dm7 n ARG 374 Cb 0.38 0.00 1.09 0.00 -1.16 0.00 0.00 32.46 32.77 1dm7 n ARG 374 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1dm7 h TYR 375 N 0.00 0.00 -6.97 -1.55 -1.99 -1.65 -3.44 116.97 101.37 1dm7 h TYR 375 Ca 0.00 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 60.13 1dm7 h TYR 375 Cb 0.00 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 38.62 1dm7 h TYR 375 CO 0.00 0.00 -0.99 -1.71 -0.00 0.00 0.00 178.16 175.46 1dm7 n ASN 376 N -3.32 -1.55 -0.56 3.88 5.15 -0.94 -4.83 115.26 113.09 1dm7 n ASN 376 Ca -0.03 -1.27 0.10 0.00 -0.60 0.00 0.00 54.58 52.78 1dm7 n ASN 376 Cb 0.11 -1.74 0.36 0.00 -0.53 0.00 0.00 39.78 37.98 1dm7 n ASN 376 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1dm7 n ILE 377 N -4.79 0.23 -0.06 -1.44 -5.35 -0.22 -4.54 119.36 103.20 1dm7 n ILE 377 Ca -0.22 -0.35 -0.08 0.00 -0.27 0.00 0.00 62.75 61.82 1dm7 n ILE 377 Cb 0.63 0.36 -0.02 0.00 -1.74 0.00 0.00 39.64 38.88 1dm7 n ILE 377 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1dm7 h LEU 378 N 2.19 -0.84 -0.82 7.28 5.85 -1.85 -2.72 115.31 124.40 1dm7 h LEU 378 Ca 0.00 0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 1dm7 h LEU 378 Cb 0.48 0.40 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 1dm7 h LEU 378 CO 0.00 -0.29 0.07 -0.08 -0.34 0.00 0.00 178.44 177.79 1dm7 h GLU 379 N -0.26 0.96 -0.18 1.25 4.81 -1.98 -2.31 114.58 116.86 1dm7 h GLU 379 Ca 0.14 -0.25 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1dm7 h GLU 379 Cb 0.48 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1dm7 h GLU 379 CO -0.41 0.90 0.08 -0.44 -0.73 0.00 0.00 179.01 178.41 1dm7 h ASP 380 N 0.90 0.11 -0.53 1.04 3.32 -1.83 -0.83 116.42 118.60 1dm7 h ASP 380 Ca 0.18 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1dm7 h ASP 380 Cb 0.43 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1dm7 h ASP 380 CO 0.01 0.09 0.28 0.58 -1.72 0.00 0.00 179.24 178.48 1dm7 h VAL 381 N 0.17 1.19 -0.53 -1.35 2.07 -1.41 -1.60 116.25 114.79 1dm7 h VAL 381 Ca 0.07 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.13 1dm7 h VAL 381 Cb 0.03 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1dm7 h VAL 381 CO -0.06 0.20 0.32 0.00 0.02 0.00 0.00 177.57 178.05 1dm7 h ALA 382 N 1.12 0.67 -0.73 1.67 0.00 -1.14 0.17 119.26 121.02 1dm7 h ALA 382 Ca 0.19 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1dm7 h ALA 382 Cb 0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1dm7 h ALA 382 CO -0.03 0.04 0.20 0.28 0.00 0.00 0.00 179.25 179.74 1dm7 h VAL 383 N 0.64 1.26 -0.17 0.00 2.07 -0.89 -0.44 116.25 118.72 1dm7 h VAL 383 Ca 0.21 -0.95 -0.07 0.00 0.82 0.00 0.00 66.70 66.71 1dm7 h VAL 383 Cb 0.01 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1dm7 h VAL 383 CO -0.09 0.37 -0.22 0.00 0.02 0.00 0.00 177.57 177.65 1dm7 n MET 385 N -4.18 0.75 -3.61 0.00 2.81 0.55 -4.89 117.12 108.55 1dm7 n MET 385 Ca -0.01 0.01 -0.21 0.00 -1.81 0.00 0.00 57.70 55.68 1dm7 n MET 385 Cb 0.35 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.41 1dm7 n MET 385 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1dm7 n ASP 386 N -1.10 -2.08 -4.96 7.83 4.64 0.37 -4.99 116.55 116.26 1dm7 n ASP 386 Ca 0.19 -0.79 -0.22 0.00 -1.38 0.00 0.00 54.79 52.59 1dm7 n ASP 386 Cb 0.14 -4.30 -0.02 0.00 -1.04 0.00 0.00 41.12 35.91 1dm7 n ASP 386 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1dm7 s LEU 387 N -6.49 4.28 -0.97 -2.67 1.43 -0.43 -5.02 118.68 108.80 1dm7 s LEU 387 Ca 0.08 0.15 -0.24 0.00 -1.03 0.00 0.00 54.13 53.09 1dm7 s LEU 387 Cb -0.02 -2.94 0.05 0.00 0.03 0.00 0.00 46.19 43.30 1dm7 s LEU 387 CO 0.79 -0.08 1.41 -0.62 0.23 0.00 0.00 176.35 178.09 1dm7 s ASP 388 N -3.84 6.44 -0.05 2.29 2.15 -1.26 -4.75 116.67 117.65 1dm7 s ASP 388 Ca 0.35 -1.28 0.06 0.00 0.43 0.00 0.00 52.55 52.12 1dm7 s ASP 388 Cb -0.09 -2.57 0.27 0.00 -0.30 0.00 0.00 42.92 40.23 1dm7 s ASP 388 CO 0.30 -1.56 1.04 0.35 -0.17 0.00 0.00 175.17 175.12 1dm7 n THR 389 N 6.78 0.74 0.11 1.71 -2.24 -1.26 -3.87 114.28 116.25 1dm7 n THR 389 Ca 0.27 -0.44 -0.22 0.00 -2.27 0.00 0.00 64.05 61.40 1dm7 n THR 389 Cb 0.51 -0.19 -0.14 0.00 -2.10 0.00 0.00 70.33 68.41 1dm7 n THR 389 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1dm7 h ARG 390 N 1.46 0.54 -5.78 -0.78 3.08 -2.04 -3.47 114.38 107.38 1dm7 h ARG 390 Ca 0.00 -0.79 -0.53 0.00 0.07 0.00 0.00 59.98 58.73 1dm7 h ARG 390 Cb 0.77 0.28 -0.14 0.00 0.08 0.00 0.00 29.97 30.95 1dm7 h ARG 390 CO 0.11 1.36 -0.72 -0.08 -1.07 0.00 0.00 179.97 179.57 1dm7 s THR 391 N -2.83 1.99 0.03 2.04 -1.32 -1.25 -5.06 115.64 109.25 1dm7 s THR 391 Ca -0.08 -2.25 -0.06 0.00 -1.21 0.00 0.00 61.69 58.08 1dm7 s THR 391 Cb 0.05 -2.27 -0.30 0.00 -1.51 0.00 0.00 72.50 68.48 1dm7 s THR 391 CO 0.93 -0.43 0.98 0.71 -2.21 0.00 0.00 174.62 174.59 1dm7 h THR 392 N 2.35 1.29 0.00 5.08 1.35 -1.90 -3.33 112.91 117.76 1dm7 h THR 392 Ca -0.39 -2.86 0.00 0.00 -0.55 0.00 0.00 66.41 62.60 1dm7 h THR 392 Cb 1.24 2.88 0.00 0.00 -1.73 0.00 0.00 68.15 70.54 1dm7 h THR 392 CO 0.63 0.85 0.00 -1.54 -0.25 0.00 0.00 175.52 175.21 1dm7 n SER 393 N -3.53 0.00 0.00 5.36 3.41 -1.26 -0.92 113.62 116.67 1dm7 n SER 393 Ca -0.14 0.49 0.13 0.00 -0.26 0.00 0.00 58.87 59.10 1dm7 n SER 393 Cb 1.05 -0.50 0.60 0.00 -0.26 0.00 0.00 64.21 65.11 1dm7 n SER 393 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1dm7 n SER 394 N -1.50 0.00 -3.81 4.04 3.41 -1.25 -4.90 113.62 109.62 1dm7 n SER 394 Ca 0.01 0.45 -0.28 0.00 -0.26 0.00 0.00 58.87 58.79 1dm7 n SER 394 Cb 0.04 -0.48 0.04 0.00 -0.26 0.00 0.00 64.21 63.54 1dm7 n SER 394 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1dm7 n LEU 395 N -1.48 -2.76 0.01 1.04 4.77 -0.10 -4.87 117.00 113.61 1dm7 n LEU 395 Ca 0.07 -0.70 -0.03 0.00 -0.03 0.00 0.00 56.01 55.32 1dm7 n LEU 395 Cb 0.32 -2.69 0.20 0.00 -2.33 0.00 0.00 43.42 38.92 1dm7 n LEU 395 CO 0.25 0.51 0.74 4.11 -1.33 0.00 0.00 177.39 181.68 1dm7 h TRP 396 N -2.23 0.54 -0.15 -1.77 5.08 -1.83 -1.25 115.95 114.34 1dm7 h TRP 396 Ca -0.57 -0.11 -0.01 0.00 1.08 0.00 0.00 58.89 59.27 1dm7 h TRP 396 Cb 1.37 -0.13 -0.01 0.00 -3.00 0.00 0.00 29.16 27.39 1dm7 h TRP 396 CO 0.55 0.69 0.04 0.87 -1.28 0.00 0.00 178.44 179.32 1dm7 h LYS 397 N 0.43 0.24 -0.79 0.12 1.57 -1.89 -1.02 116.57 115.23 1dm7 h LYS 397 Ca 0.07 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1dm7 h LYS 397 Cb 0.65 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.89 1dm7 h LYS 397 CO 0.05 0.37 0.43 -0.44 -0.57 0.00 0.00 179.45 179.29 1dm7 h ASP 398 N 0.06 0.99 -0.50 0.86 5.19 -1.91 -0.19 116.42 120.93 1dm7 h ASP 398 Ca 0.05 -0.10 -0.09 0.00 -0.62 0.00 0.00 57.03 56.27 1dm7 h ASP 398 Cb 0.24 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.48 1dm7 h ASP 398 CO -0.00 0.81 -0.04 0.11 -3.12 0.00 0.00 179.24 177.00 1dm7 h LYS 399 N 1.10 0.91 -0.04 3.56 1.57 -1.12 -2.65 116.57 119.90 1dm7 h LYS 399 Ca 0.28 -0.31 -0.17 0.00 -1.87 0.00 0.00 60.65 58.58 1dm7 h LYS 399 Cb 0.04 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1dm7 h LYS 399 CO -0.04 0.96 -0.72 0.00 -0.57 0.00 0.00 179.45 179.07 1dm7 h ALA 400 N 0.92 0.70 -0.76 3.86 0.00 -0.97 -2.97 119.26 120.04 1dm7 h ALA 400 Ca 0.14 -0.62 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1dm7 h ALA 400 Cb 0.57 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1dm7 h ALA 400 CO 0.03 0.81 0.28 0.00 0.00 0.00 0.00 179.25 180.36 1dm7 h ALA 401 N 1.09 1.05 -0.77 0.00 0.00 -0.97 -2.15 119.26 117.51 1dm7 h ALA 401 Ca -0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1dm7 h ALA 401 Cb 1.28 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1dm7 h ALA 401 CO 0.11 0.66 0.33 0.28 0.00 0.00 0.00 179.25 180.63 1dm7 h VAL 402 N 1.11 1.25 -0.30 0.00 2.07 -1.37 -2.02 116.25 116.99 1dm7 h VAL 402 Ca 0.25 -0.76 -0.17 0.00 0.82 0.00 0.00 66.70 66.84 1dm7 h VAL 402 Cb 0.25 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1dm7 h VAL 402 CO -0.02 0.31 -0.48 -0.33 0.02 0.00 0.00 177.57 177.08 1dm7 h GLU 403 N 1.10 0.82 -0.74 1.57 4.39 -1.34 -1.82 114.58 118.56 1dm7 h GLU 403 Ca 0.26 -0.48 -0.04 0.00 0.34 0.00 0.00 59.36 59.44 1dm7 h GLU 403 Cb 0.18 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1dm7 h GLU 403 CO -0.03 1.11 0.29 0.82 -1.16 0.00 0.00 179.01 180.04 1dm7 h ILE 404 N 0.65 1.25 -0.48 3.13 2.04 -1.25 0.11 117.51 122.96 1dm7 h ILE 404 Ca 0.03 -0.80 -0.10 0.00 1.00 0.00 0.00 64.86 64.98 1dm7 h ILE 404 Cb 1.06 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1dm7 h ILE 404 CO 0.11 0.32 -0.11 0.78 0.00 0.00 0.00 178.15 179.25 1dm7 h ASN 405 N 1.06 0.88 -0.81 1.72 4.21 -1.31 -1.97 115.58 119.36 1dm7 h ASN 405 Ca 0.24 -0.28 -0.04 0.00 1.21 0.00 0.00 56.30 57.44 1dm7 h ASN 405 Cb 0.22 -0.24 -0.04 0.00 -1.12 0.00 0.00 38.32 37.15 1dm7 h ASN 405 CO -0.02 1.01 0.37 0.25 -1.29 0.00 0.00 177.43 177.75 1dm7 h LEU 406 N 0.79 1.08 -0.94 1.61 5.85 -0.63 -2.29 115.31 120.79 1dm7 h LEU 406 Ca 0.13 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1dm7 h LEU 406 Cb 0.64 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1dm7 h LEU 406 CO 0.04 0.93 0.23 0.00 -0.34 0.00 0.00 178.44 179.30 1dm7 h ALA 407 N 1.20 1.15 -0.14 1.25 0.00 -0.48 0.33 119.26 122.56 1dm7 h ALA 407 Ca 0.28 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1dm7 h ALA 407 Cb 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1dm7 h ALA 407 CO -0.03 0.60 0.03 0.28 0.00 0.00 0.00 179.25 180.13 1dm7 h VAL 408 N 0.97 1.21 0.20 0.00 2.07 -0.95 0.13 116.25 119.88 1dm7 h VAL 408 Ca 0.22 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1dm7 h VAL 408 Cb 0.24 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1dm7 h VAL 408 CO -0.01 0.20 -0.17 -0.07 0.02 0.00 0.00 177.57 177.54 1dm7 h LEU 409 N 0.03 -0.43 -0.04 2.57 3.38 -1.24 -0.05 115.31 119.52 1dm7 h LEU 409 Ca 0.04 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1dm7 h LEU 409 Cb 0.27 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1dm7 h LEU 409 CO 0.00 -0.25 -0.17 -0.74 0.09 0.00 0.00 178.44 177.37 1dm7 h HIS 410 N -0.38 -0.45 -0.94 1.13 2.76 -0.90 -0.87 115.15 115.51 1dm7 h HIS 410 Ca -0.01 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.21 1dm7 h HIS 410 Cb 0.34 0.20 -0.05 0.00 1.55 0.00 0.00 27.41 29.46 1dm7 h HIS 410 CO -0.12 -0.25 0.62 0.77 -1.30 0.00 0.00 177.93 177.65 1dm7 h SER 411 N -0.26 1.04 -0.29 3.26 0.02 -0.56 0.10 113.55 116.86 1dm7 h SER 411 Ca 0.07 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.85 1dm7 h SER 411 Cb 0.35 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 1dm7 h SER 411 CO -0.19 0.73 -0.42 -0.26 -1.14 0.00 0.00 176.83 175.55 1dm7 h PHE 412 N 1.22 0.99 -0.54 3.45 0.04 -0.75 -2.09 116.94 119.25 1dm7 h PHE 412 Ca 0.37 -0.33 -0.05 0.00 2.80 0.00 0.00 57.97 60.75 1dm7 h PHE 412 Cb -0.05 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 37.89 1dm7 h PHE 412 CO -0.01 1.13 0.13 1.96 -0.60 0.00 0.00 178.31 180.92 1dm7 h GLN 413 N 0.57 0.87 -0.60 1.51 4.20 -0.89 -0.71 115.11 120.06 1dm7 h GLN 413 Ca 0.03 -0.21 0.01 0.00 0.06 0.00 0.00 58.65 58.54 1dm7 h GLN 413 Cb 1.02 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.65 1dm7 h GLN 413 CO 0.10 0.82 0.38 1.25 -0.67 0.00 0.00 178.83 180.72 1dm7 h LEU 414 N 0.77 0.65 0.00 1.46 5.85 -0.96 -1.30 115.31 121.78 1dm7 h LEU 414 Ca 0.17 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1dm7 h LEU 414 Cb 0.35 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1dm7 h LEU 414 CO 0.00 0.46 0.00 0.00 -0.34 0.00 0.00 178.44 178.57 1dm7 n ALA 415 N -2.27 2.62 -3.74 1.25 0.00 -0.79 -4.91 120.51 112.67 1dm7 n ALA 415 Ca 0.05 -0.14 -0.23 0.00 0.00 0.00 0.00 53.44 53.11 1dm7 n ALA 415 Cb 0.04 -1.37 0.03 0.00 0.00 0.00 0.00 19.45 18.16 1dm7 n ALA 415 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1dm7 n LYS 416 N -0.86 -5.20 -5.13 0.00 4.76 -0.49 -4.97 118.16 106.28 1dm7 n LYS 416 Ca 0.17 0.63 -0.32 0.00 -2.87 0.00 0.00 58.31 55.92 1dm7 n LYS 416 Cb 0.08 -5.29 -0.16 0.00 -1.84 0.00 0.00 35.03 27.82 1dm7 n LYS 416 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1dm7 s VAL 417 N -3.56 2.37 0.30 -0.18 1.01 -0.37 -4.37 120.40 115.60 1dm7 s VAL 417 Ca 0.18 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 1dm7 s VAL 417 Cb -0.09 -1.90 -0.12 0.00 0.00 0.00 0.00 36.38 34.27 1dm7 s VAL 417 CO 0.81 0.57 1.45 0.41 0.00 0.00 0.00 175.10 178.34 1dm7 n THR 418 N 2.95 1.38 -3.53 3.92 -1.04 0.01 -4.41 114.28 113.56 1dm7 n THR 418 Ca -0.18 -0.34 -0.13 0.00 -2.04 0.00 0.00 64.05 61.36 1dm7 n THR 418 Cb 0.52 -1.72 -0.04 0.00 -1.82 0.00 0.00 70.33 67.27 1dm7 n THR 418 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1dm7 s ILE 419 N -0.45 0.00 -0.04 12.58 2.07 -1.26 -4.38 121.20 129.72 1dm7 s ILE 419 Ca 0.62 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.87 1dm7 s ILE 419 Cb -0.56 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.05 1dm7 s ILE 419 CO 0.54 0.00 -0.07 0.54 -1.91 0.00 0.00 174.94 174.04 1dm7 s VAL 420 N -1.84 0.68 0.76 4.00 0.11 -0.35 -4.97 120.40 118.80 1dm7 s VAL 420 Ca -0.03 -0.25 -0.11 0.00 -2.93 0.00 0.00 61.98 58.66 1dm7 s VAL 420 Cb -0.00 -0.65 0.05 0.00 -1.53 0.00 0.00 36.38 34.24 1dm7 s VAL 420 CO 0.01 0.24 1.09 1.51 -3.33 0.00 0.00 175.10 174.61 1dm7 s ASP 421 N 0.61 4.82 0.49 3.54 -4.77 -1.26 -0.42 116.67 119.68 1dm7 s ASP 421 Ca -0.09 1.36 0.26 0.00 -3.30 0.00 0.00 52.55 50.79 1dm7 s ASP 421 Cb -0.12 -2.14 1.22 0.00 -1.09 0.00 0.00 42.92 40.78 1dm7 s ASP 421 CO 0.01 -1.77 1.96 1.12 0.70 0.00 0.00 175.17 177.19 1dm7 h HIS 422 N -0.95 0.00 0.01 2.11 2.07 -1.97 0.36 115.15 116.79 1dm7 h HIS 422 Ca -0.46 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.06 1dm7 h HIS 422 Cb 1.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.23 1dm7 h HIS 422 CO 0.51 0.17 -0.01 0.45 -3.07 0.00 0.00 177.93 175.98 1dm7 h HIS 423 N 0.00 -0.02 -0.50 6.12 3.86 -1.98 -2.02 115.15 120.62 1dm7 h HIS 423 Ca -0.00 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1dm7 h HIS 423 Cb 0.53 0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.99 1dm7 h HIS 423 CO 0.00 0.64 0.20 0.00 0.86 0.00 0.00 177.93 179.63 1dm7 h ALA 424 N 0.26 0.65 -0.55 2.45 0.00 -1.92 -1.99 119.26 118.16 1dm7 h ALA 424 Ca -0.00 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1dm7 h ALA 424 Cb 0.67 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1dm7 h ALA 424 CO 0.00 0.26 0.35 0.00 0.00 0.00 0.00 179.25 179.87 1dm7 h ALA 425 N 1.05 0.70 0.00 0.00 0.00 -0.99 -1.88 119.26 118.14 1dm7 h ALA 425 Ca 0.17 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1dm7 h ALA 425 Cb 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1dm7 h ALA 425 CO -0.01 0.10 -0.51 1.79 0.00 0.00 0.00 179.25 180.61 1dm7 h THR 426 N 0.71 1.17 -0.23 0.00 1.35 -1.25 -1.79 112.91 112.87 1dm7 h THR 426 Ca 0.21 -1.89 -0.03 0.00 -0.55 0.00 0.00 66.41 64.15 1dm7 h THR 426 Cb -0.04 2.08 -0.01 0.00 -1.73 0.00 0.00 68.15 68.44 1dm7 h THR 426 CO -0.06 0.50 0.03 0.58 -0.25 0.00 0.00 175.52 176.32 1dm7 h VAL 427 N 0.00 1.23 -0.21 6.82 2.07 -1.02 -2.00 116.25 123.14 1dm7 h VAL 427 Ca -0.01 -0.77 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 1dm7 h VAL 427 Cb 1.03 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1dm7 h VAL 427 CO 0.07 0.24 -0.13 0.77 0.02 0.00 0.00 177.57 178.54 1dm7 h SER 428 N 0.19 0.32 -0.22 0.57 4.64 -1.18 -2.30 113.55 115.57 1dm7 h SER 428 Ca 0.07 -0.07 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1dm7 h SER 428 Cb 0.33 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1dm7 h SER 428 CO 0.01 0.49 -0.16 0.15 -0.87 0.00 0.00 176.83 176.45 1dm7 h PHE 429 N 0.32 0.71 -0.95 4.77 3.57 -1.07 -1.81 116.94 122.47 1dm7 h PHE 429 Ca 0.06 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 1dm7 h PHE 429 Cb 0.43 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 1dm7 h PHE 429 CO 0.01 0.76 0.59 0.52 -2.23 0.00 0.00 178.31 177.96 1dm7 h MET 430 N 0.58 1.27 -0.65 1.11 2.86 -0.80 -0.51 114.93 118.79 1dm7 h MET 430 Ca 0.10 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1dm7 h MET 430 Cb 0.60 -0.27 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 1dm7 h MET 430 CO 0.04 0.88 0.24 0.87 1.06 0.00 0.00 176.91 179.99 1dm7 h LYS 431 N 1.30 1.00 -0.87 1.72 1.57 -1.21 -2.45 116.57 117.63 1dm7 h LYS 431 Ca 0.34 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1dm7 h LYS 431 Cb -0.08 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.03 1dm7 h LYS 431 CO -0.07 0.85 0.57 1.25 -0.57 0.00 0.00 179.45 181.49 1dm7 h HIS 432 N 0.93 1.10 -0.15 -1.35 2.76 -0.50 0.22 115.15 118.16 1dm7 h HIS 432 Ca 0.21 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.43 1dm7 h HIS 432 Cb 0.25 -0.37 -0.02 0.00 1.55 0.00 0.00 27.41 28.82 1dm7 h HIS 432 CO 0.02 0.69 0.03 -0.07 -1.30 0.00 0.00 177.93 177.30 1dm7 h LEU 433 N 1.18 0.01 -0.22 0.26 3.38 -0.80 0.24 115.31 119.35 1dm7 h LEU 433 Ca 0.32 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1dm7 h LEU 433 Cb -0.13 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1dm7 h LEU 433 CO -0.07 0.03 0.14 -0.78 0.09 0.00 0.00 178.44 177.85 1dm7 h ASP 434 N 0.09 0.26 -0.96 -0.43 1.82 -0.97 0.33 116.42 116.56 1dm7 h ASP 434 Ca 0.07 -0.03 0.08 0.00 -0.39 0.00 0.00 57.03 56.75 1dm7 h ASP 434 Cb 0.06 -0.07 -0.07 0.00 0.68 0.00 0.00 39.33 39.94 1dm7 h ASP 434 CO -0.09 0.22 0.62 0.78 -1.61 0.00 0.00 179.24 179.16 1dm7 h ASN 435 N 0.29 0.95 1.09 2.28 2.35 -0.16 -2.10 115.58 120.28 1dm7 h ASN 435 Ca 0.08 0.02 -0.17 0.00 -0.55 0.00 0.00 56.30 55.68 1dm7 h ASN 435 Cb -0.00 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 1dm7 h ASN 435 CO -0.02 0.59 -0.80 -0.33 -1.65 0.00 0.00 177.43 175.22 1dm7 h GLU 436 N 1.07 0.00 -0.62 0.81 4.39 0.02 -2.14 114.58 118.11 1dm7 h GLU 436 Ca 0.43 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.12 1dm7 h GLU 436 Cb 0.25 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 1dm7 h GLU 436 CO -0.18 0.80 0.37 0.37 -1.16 0.00 0.00 179.01 179.22 1dm7 h GLN 437 N 0.00 0.85 -0.05 2.33 5.75 0.31 0.97 115.11 125.26 1dm7 h GLN 437 Ca -0.01 -0.08 -0.22 0.00 -0.15 0.00 0.00 58.65 58.19 1dm7 h GLN 437 Cb 1.56 -0.18 0.02 0.00 1.07 0.00 0.00 27.48 29.95 1dm7 h GLN 437 CO 0.10 0.61 -0.83 0.87 -2.65 0.00 0.00 178.83 176.93 1dm7 h LYS 438 N 0.84 0.65 -0.12 1.69 1.57 -1.49 -0.04 116.57 119.68 1dm7 h LYS 438 Ca 0.22 -0.63 -0.19 0.00 -1.87 0.00 0.00 60.65 58.18 1dm7 h LYS 438 Cb -0.02 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 1dm7 h LYS 438 CO -0.04 1.24 -0.71 0.00 -0.57 0.00 0.00 179.45 179.37 1dm7 h ALA 439 N 0.43 0.55 0.00 3.86 0.00 -1.24 -3.40 119.26 119.46 1dm7 h ALA 439 Ca -0.09 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1dm7 h ALA 439 Cb 1.49 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1dm7 h ALA 439 CO 0.17 0.73 0.00 0.54 0.00 0.00 0.00 179.25 180.69 1dm7 n ARG 440 N -3.88 0.59 -1.63 0.00 1.74 0.30 -5.02 116.66 108.76 1dm7 n ARG 440 Ca -0.05 -0.11 -0.00 0.00 -0.77 0.00 0.00 57.85 56.92 1dm7 n ARG 440 Cb 0.70 -0.49 -0.00 0.00 -1.02 0.00 0.00 32.46 31.65 1dm7 n ARG 440 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dm7 n GLY 441 N 0.11 0.37 0.00 -0.13 0.00 -0.03 -4.21 105.19 101.31 1dm7 n GLY 441 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1dm7 n GLY 441 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dm7 n GLY 442 N -1.74 2.41 3.06 -0.02 0.00 -1.20 -1.18 105.19 106.52 1dm7 n GLY 442 Ca -0.00 -1.18 -0.08 0.00 0.00 0.00 0.00 46.02 44.76 1dm7 n GLY 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dm7 s PRO 444 N 2.60 4.21 -0.06 0.00 0.04 -1.26 -4.58 135.00 135.95 1dm7 s PRO 444 Ca 0.09 2.32 -0.09 0.00 0.04 0.00 0.00 61.00 63.36 1dm7 s PRO 444 Cb -0.14 -3.41 0.02 0.00 0.04 0.00 0.00 34.50 31.01 1dm7 s PRO 444 CO -0.15 -0.66 0.23 0.00 0.04 0.00 0.00 177.00 176.45 1dm7 s ALA 445 N 1.97 -0.56 -0.47 8.56 0.00 0.07 -4.25 121.76 127.09 1dm7 s ALA 445 Ca 0.72 0.44 -0.09 0.00 0.00 0.00 0.00 51.96 53.02 1dm7 s ALA 445 Cb -0.41 -0.21 0.11 0.00 0.00 0.00 0.00 23.12 22.61 1dm7 s ALA 445 CO 0.32 -0.15 0.34 0.34 0.00 0.00 0.00 175.76 176.60 1dm7 s ASP 446 N -0.42 5.71 0.19 0.00 3.68 -0.32 -3.60 116.67 121.91 1dm7 s ASP 446 Ca -0.05 -1.85 -0.17 0.00 2.13 0.00 0.00 52.55 52.61 1dm7 s ASP 446 Cb -0.03 -2.02 0.17 0.00 -1.45 0.00 0.00 42.92 39.59 1dm7 s ASP 446 CO 0.01 -0.68 1.61 -0.25 0.13 0.00 0.00 175.17 175.99 1dm7 h TRP 447 N 8.46 -0.61 -0.49 -5.34 7.01 -1.91 0.37 115.95 123.45 1dm7 h TRP 447 Ca -0.22 0.06 0.11 0.00 2.11 0.00 0.00 58.89 60.96 1dm7 h TRP 447 Cb 1.08 0.35 -0.02 0.00 -2.10 0.00 0.00 29.16 28.46 1dm7 h TRP 447 CO 0.64 -0.32 0.34 0.00 -2.79 0.00 0.00 178.44 176.30 1dm7 h ALA 448 N 1.28 2.24 0.00 2.65 0.00 -1.94 -0.91 119.26 122.58 1dm7 h ALA 448 Ca 0.26 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.98 1dm7 h ALA 448 Cb 0.50 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1dm7 h ALA 448 CO -0.63 -0.37 -1.55 0.91 0.00 0.00 0.00 179.25 177.61 1dm7 n TRP 449 N -4.44 0.83 0.10 0.00 7.02 -0.46 -4.34 117.44 116.16 1dm7 n TRP 449 Ca 0.08 0.28 -0.18 0.00 -1.02 0.00 0.00 57.50 56.66 1dm7 n TRP 449 Cb 0.45 -1.04 -0.12 0.00 -2.42 0.00 0.00 31.31 28.17 1dm7 n TRP 449 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1dm7 h ILE 450 N 0.00 1.42 -3.42 -0.99 1.08 -0.19 -3.44 117.51 111.96 1dm7 h ILE 450 Ca -0.19 -2.80 -0.53 0.00 -0.39 0.00 0.00 64.86 60.95 1dm7 h ILE 450 Cb 1.61 2.83 -0.01 0.00 -3.07 0.00 0.00 36.82 38.18 1dm7 h ILE 450 CO 0.04 0.83 0.45 -0.69 -0.69 0.00 0.00 178.15 178.09 1dm7 s VAL 451 N -2.81 4.31 0.72 1.67 1.01 -0.42 -4.95 120.40 119.93 1dm7 s VAL 451 Ca -0.06 1.78 -0.15 0.00 0.00 0.00 0.00 61.98 63.56 1dm7 s VAL 451 Cb 0.07 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.34 1dm7 s VAL 451 CO 0.90 0.21 1.19 -2.84 0.00 0.00 0.00 175.10 174.55 1dm7 s PRO 452 N 0.48 2.25 0.03 2.72 0.02 -1.26 -4.91 135.00 134.33 1dm7 s PRO 452 Ca 0.52 1.68 0.10 0.00 0.02 0.00 0.00 61.00 63.32 1dm7 s PRO 452 Cb -0.26 -1.86 0.43 0.00 0.02 0.00 0.00 34.50 32.84 1dm7 s PRO 452 CO 0.30 -1.73 1.31 -0.35 -0.33 0.00 0.00 177.00 176.20 1dm7 n PRO 453 N -2.68 0.02 -4.09 5.54 -0.04 -1.26 -4.19 135.00 128.30 1dm7 n PRO 453 Ca 0.13 0.37 -0.07 0.00 -0.04 0.00 0.00 63.50 63.89 1dm7 n PRO 453 Cb 0.51 -1.54 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 1dm7 n PRO 453 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1dm7 s ILE 454 N -3.04 0.24 -1.23 0.52 -4.36 -1.26 -4.87 121.20 107.20 1dm7 s ILE 454 Ca 0.04 -1.79 -0.09 0.00 -0.26 0.00 0.00 60.65 58.55 1dm7 s ILE 454 Cb 0.06 -1.49 0.08 0.00 1.25 0.00 0.00 42.46 42.36 1dm7 s ILE 454 CO 0.17 -0.98 0.44 -1.20 0.24 0.00 0.00 174.94 173.62 1dm7 n SER 455 N 0.15 -3.40 0.00 4.36 7.64 -1.26 -4.88 113.62 116.23 1dm7 n SER 455 Ca -0.14 -0.37 0.00 0.00 1.01 0.00 0.00 58.87 59.37 1dm7 n SER 455 Cb 0.61 -2.84 0.00 0.00 -1.01 0.00 0.00 64.21 60.97 1dm7 n SER 455 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dm7 n GLY 456 N -1.11 -3.20 0.00 0.23 0.00 -1.26 -1.56 105.19 98.29 1dm7 n GLY 456 Ca -0.01 0.53 0.03 0.00 0.00 0.00 0.00 46.02 46.57 1dm7 n GLY 456 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dm7 n SER 457 N -2.10 0.00 -0.04 1.61 3.41 -1.26 -1.19 113.62 114.05 1dm7 n SER 457 Ca 0.00 0.07 0.14 0.00 -0.26 0.00 0.00 58.87 58.83 1dm7 n SER 457 Cb 0.00 -0.20 0.68 0.00 -0.26 0.00 0.00 64.21 64.42 1dm7 n SER 457 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1dm7 n LEU 458 N -1.20 0.18 -4.72 1.04 4.77 -0.60 -4.81 117.00 111.65 1dm7 n LEU 458 Ca 0.04 0.20 -0.25 0.00 -0.03 0.00 0.00 56.01 55.97 1dm7 n LEU 458 Cb 0.05 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 40.80 1dm7 n LEU 458 CO 0.05 0.03 -0.27 0.42 -1.33 0.00 0.00 177.39 176.29 1dm7 s THR 459 N -2.60 3.97 0.43 -5.08 -4.23 -0.33 -5.04 115.64 102.76 1dm7 s THR 459 Ca 0.27 -1.46 0.15 0.00 -1.18 0.00 0.00 61.69 59.46 1dm7 s THR 459 Cb 0.20 -3.06 0.17 0.00 1.34 0.00 0.00 72.50 71.15 1dm7 s THR 459 CO 0.48 -0.22 1.96 1.55 -0.54 0.00 0.00 174.62 177.85 1dm7 h PRO 460 N 2.19 0.00 -0.10 3.99 0.13 -1.87 -3.13 132.00 133.20 1dm7 h PRO 460 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 1dm7 h PRO 460 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1dm7 h PRO 460 CO 0.60 0.22 -0.21 -0.39 -0.23 0.00 0.00 178.00 177.99 1dm7 h VAL 461 N 0.00 1.20 -0.85 1.56 -1.51 -1.90 -2.80 116.25 111.95 1dm7 h VAL 461 Ca -0.00 -0.92 0.06 0.00 -1.23 0.00 0.00 66.70 64.61 1dm7 h VAL 461 Cb 0.39 1.35 -0.06 0.00 -2.13 0.00 0.00 31.29 30.84 1dm7 h VAL 461 CO 0.03 0.28 0.53 0.15 -1.23 0.00 0.00 177.57 177.32 1dm7 h PHE 462 N 0.16 0.97 -0.11 5.19 3.57 -1.76 -1.90 116.94 123.06 1dm7 h PHE 462 Ca 0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1dm7 h PHE 462 Cb 0.46 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.89 1dm7 h PHE 462 CO 0.01 0.49 0.00 0.72 -2.23 0.00 0.00 178.31 177.29 1dm7 n HIS 463 N -4.63 0.15 -3.97 0.41 8.25 -1.06 -4.79 115.22 109.58 1dm7 n HIS 463 Ca 0.12 -0.07 -0.35 0.00 -0.26 0.00 0.00 57.72 57.16 1dm7 n HIS 463 Cb 0.18 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.16 1dm7 n HIS 463 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1dm7 s GLN 464 N -1.85 3.50 0.64 -0.41 2.00 -0.72 -0.75 119.66 122.06 1dm7 s GLN 464 Ca 0.18 -0.57 -0.15 0.00 -2.00 0.00 0.00 55.36 52.82 1dm7 s GLN 464 Cb 0.09 -3.07 -0.01 0.00 0.80 0.00 0.00 33.01 30.82 1dm7 s GLN 464 CO 0.14 -0.12 1.08 -1.21 -0.50 0.00 0.00 175.29 174.68 1dm7 s GLU 465 N 1.31 3.02 0.02 1.67 2.02 -0.33 -4.99 118.70 121.43 1dm7 s GLU 465 Ca 0.04 1.27 -0.04 0.00 0.02 0.00 0.00 54.97 56.26 1dm7 s GLU 465 Cb -0.15 -1.99 -0.01 0.00 0.10 0.00 0.00 34.13 32.09 1dm7 s GLU 465 CO -0.00 -1.06 0.07 -1.64 0.02 0.00 0.00 175.26 172.65 1dm7 s MET 466 N -4.17 0.46 -0.13 1.61 -1.94 -1.26 -4.77 119.30 109.09 1dm7 s MET 466 Ca 0.65 -0.57 -0.01 0.00 -1.71 0.00 0.00 55.69 54.05 1dm7 s MET 466 Cb -0.18 0.18 -0.02 0.00 2.01 0.00 0.00 34.83 36.82 1dm7 s MET 466 CO 0.41 -0.10 -0.12 0.08 -0.01 0.00 0.00 175.02 175.28 1dm7 s VAL 467 N -1.76 3.17 -0.10 -6.03 1.01 -1.26 -4.91 120.40 110.51 1dm7 s VAL 467 Ca -0.12 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 1dm7 s VAL 467 Cb -0.06 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1dm7 s VAL 467 CO -0.01 0.52 -0.09 0.21 0.00 0.00 0.00 175.10 175.74 1dm7 s ASN 468 N 0.32 4.45 -0.08 3.32 2.47 -1.24 -0.75 114.94 123.43 1dm7 s ASN 468 Ca -0.10 -0.14 -0.30 0.00 0.42 0.00 0.00 52.86 52.74 1dm7 s ASN 468 Cb -0.16 -1.38 0.11 0.00 -1.45 0.00 0.00 41.25 38.38 1dm7 s ASN 468 CO 0.05 0.27 0.95 -0.72 -3.72 0.00 0.00 177.10 173.93 1dm7 s TYR 469 N -0.24 -0.34 -0.24 0.43 -0.85 -1.26 -4.97 117.35 109.88 1dm7 s TYR 469 Ca 0.03 0.39 -0.19 0.00 -0.52 0.00 0.00 57.07 56.78 1dm7 s TYR 469 Cb -0.13 0.50 -0.03 0.00 0.38 0.00 0.00 41.96 42.68 1dm7 s TYR 469 CO 0.03 -0.43 0.56 0.42 -1.52 0.00 0.00 175.55 174.60 1dm7 s ILE 470 N -2.20 5.05 0.14 -3.49 1.01 -1.26 -4.85 121.20 115.59 1dm7 s ILE 470 Ca 0.02 1.01 0.10 0.00 0.00 0.00 0.00 60.65 61.78 1dm7 s ILE 470 Cb -0.01 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 1dm7 s ILE 470 CO -0.04 0.09 -0.23 -0.76 0.00 0.00 0.00 174.94 174.00 1dm7 s LEU 471 N 2.17 2.49 0.03 2.97 1.43 -1.26 -4.00 118.68 122.50 1dm7 s LEU 471 Ca 0.24 -0.70 0.09 0.00 -1.03 0.00 0.00 54.13 52.73 1dm7 s LEU 471 Cb -0.16 -1.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 1dm7 s LEU 471 CO 0.09 0.17 -0.25 -0.55 0.23 0.00 0.00 176.35 176.04 1dm7 s SER 472 N -2.20 3.26 0.79 2.29 0.15 -1.26 -4.07 113.70 112.65 1dm7 s SER 472 Ca 0.17 -0.54 -0.15 0.00 0.70 0.00 0.00 55.95 56.13 1dm7 s SER 472 Cb -0.10 -0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 63.85 1dm7 s SER 472 CO 0.08 0.27 0.58 -2.65 1.20 0.00 0.00 173.24 172.73 1dm7 n PRO 473 N 1.88 0.16 -3.48 5.44 -0.02 -1.26 -5.02 135.00 132.69 1dm7 n PRO 473 Ca -0.17 0.10 -0.15 0.00 -2.02 0.00 0.00 63.50 61.26 1dm7 n PRO 473 Cb 0.52 -1.92 -0.04 0.00 -0.02 0.00 0.00 33.50 32.04 1dm7 n PRO 473 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dm7 s ALA 474 N -2.04 -1.70 -0.15 3.55 0.00 -0.79 -4.12 121.76 116.50 1dm7 s ALA 474 Ca 0.64 0.99 -0.12 0.00 0.00 0.00 0.00 51.96 53.47 1dm7 s ALA 474 Cb -0.31 0.36 -0.05 0.00 0.00 0.00 0.00 23.12 23.12 1dm7 s ALA 474 CO 0.59 -0.53 0.23 -0.06 0.00 0.00 0.00 175.76 175.99 1dm7 s PHE 475 N -2.24 3.49 0.09 0.00 0.40 -1.26 -1.02 117.98 117.45 1dm7 s PHE 475 Ca -0.06 0.54 0.03 0.00 -0.60 0.00 0.00 56.93 56.84 1dm7 s PHE 475 Cb -0.00 -2.22 -0.04 0.00 0.51 0.00 0.00 43.02 41.27 1dm7 s PHE 475 CO 0.00 0.37 -0.09 1.03 0.70 0.00 0.00 175.22 177.24 1dm7 s ARG 476 N 0.04 0.81 0.51 0.44 0.52 0.72 -4.94 118.95 117.05 1dm7 s ARG 476 Ca 0.14 -1.16 -0.18 0.00 -0.52 0.00 0.00 55.73 54.01 1dm7 s ARG 476 Cb -0.13 -0.42 -0.08 0.00 0.52 0.00 0.00 34.95 34.85 1dm7 s ARG 476 CO 0.03 0.05 1.01 0.71 0.02 0.00 0.00 175.30 177.12 1dm7 s TYR 477 N -2.64 3.21 0.04 -0.53 2.02 -1.26 0.25 117.35 118.44 1dm7 s TYR 477 Ca 0.05 1.53 -0.02 0.00 -0.37 0.00 0.00 57.07 58.27 1dm7 s TYR 477 Cb -0.01 -2.92 -0.03 0.00 -0.40 0.00 0.00 41.96 38.60 1dm7 s TYR 477 CO -0.01 -0.58 -0.01 1.14 -1.57 0.00 0.00 175.55 174.52 1dm7 s GLN 478 N -3.67 0.54 0.89 -0.62 -2.07 -1.26 -4.46 119.66 109.01 1dm7 s GLN 478 Ca 0.63 -1.00 -0.12 0.00 -1.82 0.00 0.00 55.36 53.04 1dm7 s GLN 478 Cb -0.12 0.19 0.08 0.00 -1.09 0.00 0.00 33.01 32.06 1dm7 s GLN 478 CO 0.26 -0.10 0.81 -2.30 -1.32 0.00 0.00 175.29 172.63 1dm7 n PRO 479 N 0.56 -0.21 -2.78 9.60 -0.02 -1.26 -4.95 135.00 135.95 1dm7 n PRO 479 Ca -0.17 -0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.89 1dm7 n PRO 479 Cb 0.59 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.90 1dm7 n PRO 479 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1dm7 s ASP 480 N -2.19 7.33 0.59 2.55 -0.00 -1.26 -4.95 116.67 118.75 1dm7 s ASP 480 Ca 0.64 1.60 0.29 0.00 -0.00 0.00 0.00 52.55 55.09 1dm7 s ASP 480 Cb -0.24 -2.54 1.59 0.00 -0.00 0.00 0.00 42.92 41.72 1dm7 s ASP 480 CO 0.60 -0.19 1.88 1.55 -0.00 0.00 0.00 175.17 179.02 1dm7 h PRO 481 N 6.50 0.00 -0.02 8.23 0.13 -1.95 -3.55 132.00 141.34 1dm7 h PRO 481 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1dm7 h PRO 481 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1dm7 h PRO 481 CO 0.74 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.84