#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dm7 n PRO 68 N 0.00 0.57 -1.27 1.61 -0.02 -1.26 -4.87 135.00 129.76 1dm7 n PRO 68 Ca 0.00 0.20 -0.27 0.00 -2.02 0.00 0.00 63.50 61.41 1dm7 n PRO 68 Cb 0.00 -1.40 0.03 0.00 -0.02 0.00 0.00 33.50 32.11 1dm7 n PRO 68 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1dm7 n LYS 69 N 0.82 2.31 -4.34 -0.52 5.02 -1.26 -4.88 118.16 115.31 1dm7 n LYS 69 Ca 0.13 -2.48 -0.17 0.00 -2.02 0.00 0.00 58.31 53.77 1dm7 n LYS 69 Cb 0.33 -2.00 -0.10 0.00 -0.02 0.00 0.00 35.03 33.23 1dm7 n LYS 69 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1dm7 s PHE 70 N -2.68 1.58 0.20 2.13 0.40 -1.26 -5.11 117.98 113.25 1dm7 s PHE 70 Ca 0.49 -1.05 -0.32 0.00 -0.60 0.00 0.00 56.93 55.45 1dm7 s PHE 70 Cb 0.38 -0.95 -0.13 0.00 0.51 0.00 0.00 43.02 42.83 1dm7 s PHE 70 CO -0.10 -0.18 1.66 -2.30 0.70 0.00 0.00 175.22 174.99 1dm7 n PRO 71 N -0.47 2.55 -3.14 0.24 -0.02 -1.25 -4.79 135.00 128.11 1dm7 n PRO 71 Ca -0.02 0.92 -0.40 0.00 -2.02 0.00 0.00 63.50 61.98 1dm7 n PRO 71 Cb 0.65 -2.73 -0.06 0.00 -0.02 0.00 0.00 33.50 31.35 1dm7 n PRO 71 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1dm7 s ARG 72 N 0.87 4.23 -0.17 -0.52 3.52 -1.26 -2.02 118.95 123.60 1dm7 s ARG 72 Ca 0.75 0.59 -0.02 0.00 -0.13 0.00 0.00 55.73 56.92 1dm7 s ARG 72 Cb -0.56 -3.56 -0.01 0.00 -1.56 0.00 0.00 34.95 29.25 1dm7 s ARG 72 CO 0.36 -0.19 -0.09 0.08 -0.81 0.00 0.00 175.30 174.64 1dm7 s VAL 73 N 1.75 3.18 0.11 7.11 1.01 0.57 -4.98 120.40 129.15 1dm7 s VAL 73 Ca 0.28 -0.59 0.09 0.00 0.00 0.00 0.00 61.98 61.76 1dm7 s VAL 73 Cb -0.16 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1dm7 s VAL 73 CO 0.11 0.49 -0.18 -0.75 0.00 0.00 0.00 175.10 174.76 1dm7 s LYS 74 N 0.82 1.81 -0.21 2.72 2.20 -1.26 -0.99 119.74 124.82 1dm7 s LYS 74 Ca -0.03 -1.16 -0.04 0.00 -0.36 0.00 0.00 55.97 54.38 1dm7 s LYS 74 Cb -0.15 -2.12 -0.01 0.00 -1.51 0.00 0.00 37.83 34.04 1dm7 s LYS 74 CO 0.01 0.49 -0.04 1.21 -0.36 0.00 0.00 175.35 176.66 1dm7 s ASN 75 N -2.07 4.36 0.06 1.43 3.84 -0.52 -1.02 114.94 121.02 1dm7 s ASN 75 Ca 0.18 -0.36 0.27 0.00 0.21 0.00 0.00 52.86 53.15 1dm7 s ASN 75 Cb -0.11 -1.75 0.86 0.00 -0.55 0.00 0.00 41.25 39.71 1dm7 s ASN 75 CO 0.10 -0.00 1.70 0.79 -2.79 0.00 0.00 177.10 176.89 1dm7 n TRP 76 N 4.69 0.28 -0.01 0.43 7.02 0.54 -0.59 117.44 129.80 1dm7 n TRP 76 Ca -0.18 0.08 -0.19 0.00 -1.02 0.00 0.00 57.50 56.19 1dm7 n TRP 76 Cb 0.51 -0.56 -0.14 0.00 -2.42 0.00 0.00 31.31 28.70 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 0.17 0.00 -0.99 4.81 -1.95 -3.37 114.58 113.25 1dm7 h GLU 77 Ca 0.00 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1dm7 h GLU 77 Cb 0.59 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1dm7 h GLU 77 CO 0.00 1.14 -0.84 1.28 -0.73 0.00 0.00 179.01 179.86 1dm7 n LEU 78 N -4.25 0.76 0.00 1.64 4.77 -1.24 -4.96 117.00 113.72 1dm7 n LEU 78 Ca -0.17 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 1dm7 n LEU 78 Cb 0.73 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1dm7 n LEU 78 CO 0.40 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1dm7 n GLY 79 N 1.48 0.51 3.82 -0.72 0.00 0.24 -4.99 105.19 105.53 1dm7 n GLY 79 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.41 5.79 0.08 1.61 1.04 -1.19 -4.83 113.70 113.79 1dm7 s SER 80 Ca 0.00 1.69 0.07 0.00 0.48 0.00 0.00 55.95 58.19 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 -1.16 -0.18 -0.63 0.98 0.00 0.00 173.24 172.25 1dm7 s ILE 81 N -2.72 1.45 0.17 -1.02 -1.09 -1.26 -1.44 121.20 115.29 1dm7 s ILE 81 Ca 0.61 -1.36 -0.08 0.00 -2.23 0.00 0.00 60.65 57.58 1dm7 s ILE 81 Cb -0.14 -1.33 -0.01 0.00 -1.58 0.00 0.00 42.46 39.40 1dm7 s ILE 81 CO 0.43 -0.07 0.28 0.42 -1.23 0.00 0.00 174.94 174.77 1dm7 s THR 82 N -1.11 0.06 -0.05 2.92 -4.23 -0.16 -5.00 115.64 108.07 1dm7 s THR 82 Ca 0.03 -1.43 0.04 0.00 -1.18 0.00 0.00 61.69 59.16 1dm7 s THR 82 Cb -0.10 -1.88 -0.00 0.00 1.34 0.00 0.00 72.50 71.86 1dm7 s THR 82 CO 0.03 -0.28 -0.18 -0.31 -0.54 0.00 0.00 174.62 173.34 1dm7 s TYR 83 N -3.98 1.81 -0.36 3.99 1.51 -1.26 -0.32 117.35 118.74 1dm7 s TYR 83 Ca 0.18 -0.53 -0.16 0.00 -1.01 0.00 0.00 57.07 55.55 1dm7 s TYR 83 Cb 0.03 -1.22 -0.00 0.00 -0.11 0.00 0.00 41.96 40.66 1dm7 s TYR 83 CO 0.01 -0.18 0.39 0.34 -1.11 0.00 0.00 175.55 175.00 1dm7 s ASP 84 N 0.04 6.19 0.00 2.29 -1.08 -0.85 -4.70 116.67 118.56 1dm7 s ASP 84 Ca -0.05 -0.33 0.13 0.00 -0.52 0.00 0.00 52.55 51.79 1dm7 s ASP 84 Cb -0.12 -2.21 -0.12 0.00 -1.46 0.00 0.00 42.92 39.01 1dm7 s ASP 84 CO 0.03 -0.41 0.61 0.35 0.52 0.00 0.00 175.17 176.27 1dm7 n THR 85 N 5.30 0.00 0.07 1.71 -2.24 -0.26 -3.93 114.28 114.93 1dm7 n THR 85 Ca -0.08 -0.21 -0.02 0.00 -2.27 0.00 0.00 64.05 61.46 1dm7 n THR 85 Cb 0.49 1.03 0.22 0.00 -2.10 0.00 0.00 70.33 69.97 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 0.29 0.33 -1.67 3.22 5.85 -1.68 -2.76 115.31 118.88 1dm7 h LEU 86 Ca 0.00 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1dm7 h LEU 86 Cb 0.35 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1dm7 h LEU 86 CO 0.00 0.66 0.00 0.00 -0.34 0.00 0.00 178.44 178.76 1dm7 h ALA 88 N 2.02 1.00 0.00 0.00 0.00 -1.79 -2.14 119.26 118.35 1dm7 h ALA 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dm7 h ALA 88 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1dm7 h ALA 88 CO 0.00 0.00 -0.36 1.96 0.00 0.00 0.00 179.25 180.85 1dm7 h GLN 89 N 0.00 0.00 -6.21 0.00 1.08 -0.90 -3.45 115.11 105.63 1dm7 h GLN 89 Ca 0.00 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 56.61 1dm7 h GLN 89 Cb 0.48 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.92 1dm7 h GLN 89 CO 0.00 0.00 1.26 0.45 -0.95 0.00 0.00 178.83 179.59 1dm7 n SER 90 N -2.56 3.51 -1.53 1.46 2.88 -0.81 -4.84 113.62 111.72 1dm7 n SER 90 Ca 0.03 0.73 0.08 0.00 -1.33 0.00 0.00 58.87 58.38 1dm7 n SER 90 Cb 0.49 -1.45 0.35 0.00 -0.75 0.00 0.00 64.21 62.85 1dm7 n SER 90 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dm7 n GLN 91 N 7.55 4.09 -3.82 -1.46 6.02 -1.26 -4.94 117.38 123.57 1dm7 n GLN 91 Ca 0.25 -2.99 -0.12 0.00 -0.01 0.00 0.00 57.00 54.13 1dm7 n GLN 91 Cb 0.36 -2.04 -0.11 0.00 1.02 0.00 0.00 30.24 29.46 1dm7 n GLN 91 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1dm7 s GLN 92 N -2.51 0.35 0.57 -1.09 0.74 -1.26 -5.14 119.66 111.31 1dm7 s GLN 92 Ca 0.50 0.05 -0.09 0.00 0.05 0.00 0.00 55.36 55.87 1dm7 s GLN 92 Cb 0.37 0.16 -0.04 0.00 1.10 0.00 0.00 33.01 34.60 1dm7 s GLN 92 CO 0.16 -0.07 0.93 -0.51 -0.55 0.00 0.00 175.29 175.26 1dm7 s ASP 93 N -0.44 6.23 0.00 6.67 1.01 -1.26 -4.53 116.67 124.35 1dm7 s ASP 93 Ca -0.05 1.22 0.00 0.00 0.71 0.00 0.00 52.55 54.42 1dm7 s ASP 93 Cb -0.04 -2.37 0.00 0.00 1.01 0.00 0.00 42.92 41.52 1dm7 s ASP 93 CO 0.01 -0.76 0.00 0.61 0.21 0.00 0.00 175.17 175.24 1dm7 n GLY 94 N -2.56 5.44 0.08 0.21 0.00 -1.26 -4.73 105.19 102.38 1dm7 n GLY 94 Ca 0.04 -2.06 0.13 0.00 0.00 0.00 0.00 46.02 44.13 1dm7 n GLY 94 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1dm7 n PRO 95 N -0.06 0.23 -2.32 1.61 -0.02 -1.26 -4.93 135.00 128.26 1dm7 n PRO 95 Ca 0.00 0.15 -0.32 0.00 -2.02 0.00 0.00 63.50 61.31 1dm7 n PRO 95 Cb 0.00 -1.73 -0.02 0.00 -0.02 0.00 0.00 33.50 31.72 1dm7 n PRO 95 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dm7 s THR 97 N -2.53 0.06 0.61 0.00 -4.23 -1.10 -5.03 115.64 103.43 1dm7 s THR 97 Ca 0.61 -0.48 0.26 0.00 -1.18 0.00 0.00 61.69 60.91 1dm7 s THR 97 Cb -0.12 -0.84 0.35 0.00 1.34 0.00 0.00 72.50 73.23 1dm7 s THR 97 CO 0.32 -0.26 1.67 -0.65 -0.54 0.00 0.00 174.62 175.15 1dm7 h PRO 98 N 3.35 0.00 -0.01 3.99 0.11 -2.05 -1.53 132.00 135.87 1dm7 h PRO 98 Ca -0.30 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.73 1dm7 h PRO 98 Cb 1.19 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.30 1dm7 h PRO 98 CO 0.42 0.00 -0.28 -0.09 -0.21 0.00 0.00 178.00 177.85 1dm7 h ARG 99 N 0.00 0.20 -2.89 1.05 2.43 -2.01 -3.47 114.38 109.68 1dm7 h ARG 99 Ca 0.25 -0.21 -0.12 0.00 -0.81 0.00 0.00 59.98 59.10 1dm7 h ARG 99 Cb 1.68 0.06 -0.21 0.00 -0.42 0.00 0.00 29.97 31.07 1dm7 h ARG 99 CO -0.00 0.92 -0.24 -0.98 -1.51 0.00 0.00 179.97 178.16 1dm7 s ARG 100 N -3.22 0.63 -0.27 0.20 3.03 -0.57 -5.14 118.95 113.61 1dm7 s ARG 100 Ca -0.15 0.05 -0.15 0.00 2.03 0.00 0.00 55.73 57.50 1dm7 s ARG 100 Cb 0.01 0.29 -0.03 0.00 -1.03 0.00 0.00 34.95 34.19 1dm7 s ARG 100 CO 0.75 -0.16 0.39 0.00 -1.13 0.00 0.00 175.30 175.15 1dm7 n LEU 102 N 5.37 4.52 0.03 0.00 4.77 -1.26 -4.74 117.00 125.68 1dm7 n LEU 102 Ca -0.08 -3.79 0.07 0.00 -0.03 0.00 0.00 56.01 52.18 1dm7 n LEU 102 Cb 0.51 -0.67 0.30 0.00 -2.33 0.00 0.00 43.42 41.23 1dm7 n LEU 102 CO 0.38 1.26 0.71 0.61 -1.33 0.00 0.00 177.39 179.02 1dm7 n GLY 103 N -1.13 -0.94 0.02 -0.72 0.00 -1.26 -2.43 105.19 98.74 1dm7 n GLY 103 Ca 0.37 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.51 1dm7 n GLY 103 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dm7 n SER 104 N -1.68 0.64 -4.73 1.61 3.41 -1.26 -4.91 113.62 106.70 1dm7 n SER 104 Ca 0.02 -0.28 -0.42 0.00 -0.26 0.00 0.00 58.87 57.93 1dm7 n SER 104 Cb 0.14 0.65 -0.03 0.00 -0.26 0.00 0.00 64.21 64.71 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 -3.65 4.37 0.06 1.04 1.02 -1.02 -4.93 118.68 115.59 1dm7 s LEU 105 Ca 0.06 2.66 -0.16 0.00 0.02 0.00 0.00 54.13 56.71 1dm7 s LEU 105 Cb 0.15 -3.60 -0.16 0.00 0.02 0.00 0.00 46.19 42.60 1dm7 s LEU 105 CO 0.78 -0.81 1.27 0.58 0.02 0.00 0.00 176.35 178.20 1dm7 h VAL 106 N 3.84 1.34 -2.11 -1.59 2.07 -1.91 -3.39 116.25 114.51 1dm7 h VAL 106 Ca -0.44 -1.79 -0.58 0.00 0.82 0.00 0.00 66.70 64.71 1dm7 h VAL 106 Cb 1.21 2.06 -0.41 0.00 -1.52 0.00 0.00 31.29 32.63 1dm7 h VAL 106 CO 0.87 0.55 -0.83 0.18 0.02 0.00 0.00 177.57 178.36 1dm7 n LEU 107 N -4.18 2.18 -4.73 2.57 4.77 -1.26 -5.09 117.00 111.25 1dm7 n LEU 107 Ca -0.07 -5.12 -0.41 0.00 -0.03 0.00 0.00 56.01 50.37 1dm7 n LEU 107 Cb 0.61 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 1dm7 n LEU 107 CO 0.47 2.08 0.81 -2.16 -1.33 0.00 0.00 177.39 177.26 1dm7 s PRO 108 N -1.96 4.54 -0.83 3.23 0.04 -1.26 -4.88 135.00 133.88 1dm7 s PRO 108 Ca 0.38 1.70 -0.25 0.00 0.04 0.00 0.00 61.00 62.87 1dm7 s PRO 108 Cb 0.17 -3.31 -0.11 0.00 0.04 0.00 0.00 34.50 31.29 1dm7 s PRO 108 CO -0.06 -0.03 2.24 1.03 0.04 0.00 0.00 177.00 180.22 1dm7 s ARG 109 N 0.17 1.94 0.00 4.56 1.81 -1.26 -4.22 118.95 121.96 1dm7 s ARG 109 Ca 0.52 0.20 0.00 0.00 -1.72 0.00 0.00 55.73 54.73 1dm7 s ARG 109 Cb -0.29 -4.89 0.00 0.00 -0.45 0.00 0.00 34.95 29.33 1dm7 s ARG 109 CO 0.33 -4.07 0.00 1.63 -0.68 0.00 0.00 175.30 172.50 1dm7 n LYS 110 N 8.83 0.00 -0.10 3.54 4.76 -1.26 -4.92 118.16 129.01 1dm7 n LYS 110 Ca 0.44 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.82 1dm7 n LYS 110 Cb 0.44 0.00 0.11 0.00 -1.84 0.00 0.00 35.03 33.75 1dm7 n LYS 110 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1dm7 h LEU 111 N 0.00 0.79 0.00 -0.35 4.07 -1.85 -3.46 115.31 114.51 1dm7 h LEU 111 Ca 0.00 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.72 1dm7 h LEU 111 Cb 0.00 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.53 1dm7 h LEU 111 CO 0.00 0.93 0.00 1.67 -1.08 0.00 0.00 178.44 179.96 1dm7 n GLN 112 N -4.16 0.00 -1.71 1.13 -0.06 -1.26 -4.76 117.38 106.56 1dm7 n GLN 112 Ca 0.01 0.00 -0.40 0.00 -2.00 0.00 0.00 57.00 54.61 1dm7 n GLN 112 Cb 0.38 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.54 1dm7 n GLN 112 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1dm7 n THR 113 N 0.00 4.60 -1.56 1.69 -2.24 -1.09 -4.99 114.28 110.68 1dm7 n THR 113 Ca 0.00 -3.46 -0.39 0.00 -2.27 0.00 0.00 64.05 57.92 1dm7 n THR 113 Cb 0.00 -2.39 0.03 0.00 -2.10 0.00 0.00 70.33 65.88 1dm7 n THR 113 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1dm7 n ARG 114 N 3.14 0.92 -1.64 -0.78 3.00 -1.26 -4.56 116.66 115.49 1dm7 n ARG 114 Ca 0.66 0.35 -0.48 0.00 -0.00 0.00 0.00 57.85 58.38 1dm7 n ARG 114 Cb 0.26 -1.96 -0.05 0.00 0.00 0.00 0.00 32.46 30.72 1dm7 n ARG 114 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1dm7 n PRO 115 N -0.26 1.97 -2.39 -0.14 -0.02 -1.26 -4.85 135.00 128.05 1dm7 n PRO 115 Ca 0.12 0.68 -0.31 0.00 -2.02 0.00 0.00 63.50 61.97 1dm7 n PRO 115 Cb 0.44 -2.68 0.01 0.00 -0.02 0.00 0.00 33.50 31.25 1dm7 n PRO 115 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1dm7 n SER 116 N 7.72 5.44 -0.08 2.55 3.41 -1.26 -4.96 113.62 126.44 1dm7 n SER 116 Ca 0.26 -3.74 -0.02 0.00 -0.26 0.00 0.00 58.87 55.11 1dm7 n SER 116 Cb 0.30 -0.63 -0.02 0.00 -0.26 0.00 0.00 64.21 63.60 1dm7 n SER 116 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1dm7 n PRO 117 N -0.46 -0.08 -1.68 4.33 -0.02 -1.26 -4.32 135.00 131.50 1dm7 n PRO 117 Ca 0.42 0.41 -0.44 0.00 -2.02 0.00 0.00 63.50 61.87 1dm7 n PRO 117 Cb 0.52 -0.60 -0.04 0.00 -0.02 0.00 0.00 33.50 33.36 1dm7 n PRO 117 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dm7 n GLY 118 N -1.05 1.61 2.48 -1.23 0.00 -1.26 -3.51 105.19 102.23 1dm7 n GLY 118 Ca 0.00 0.77 -0.34 0.00 0.00 0.00 0.00 46.02 46.45 1dm7 n GLY 118 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1dm7 n PRO 119 N 6.05 0.00 -1.65 1.61 -0.02 -1.26 -4.91 135.00 134.82 1dm7 n PRO 119 Ca 0.19 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.35 1dm7 n PRO 119 Cb 0.35 -0.74 0.06 0.00 -0.02 0.00 0.00 33.50 33.15 1dm7 n PRO 119 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1dm7 s PRO 120 N -0.74 2.67 -0.32 0.52 0.04 -1.26 -4.90 135.00 131.02 1dm7 s PRO 120 Ca 0.46 1.36 -0.35 0.00 0.04 0.00 0.00 61.00 62.51 1dm7 s PRO 120 Cb -0.60 -1.94 -0.12 0.00 0.04 0.00 0.00 34.50 31.89 1dm7 s PRO 120 CO 0.43 -1.35 2.12 -2.30 0.04 0.00 0.00 177.00 175.95 1dm7 n PRO 121 N -2.64 1.20 -0.21 0.56 -0.02 -1.26 -4.73 135.00 127.90 1dm7 n PRO 121 Ca 0.10 0.35 0.30 0.00 -2.02 0.00 0.00 63.50 62.24 1dm7 n PRO 121 Cb 0.52 -2.46 0.73 0.00 -0.02 0.00 0.00 33.50 32.27 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 11.73 2.90 -0.21 3.55 0.00 -1.90 0.26 119.26 135.58 1dm7 h ALA 122 Ca -0.31 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1dm7 h ALA 122 Cb 1.31 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1dm7 h ALA 122 CO 1.01 -1.21 -0.28 1.49 0.00 0.00 0.00 179.25 180.25 1dm7 h GLU 123 N 0.00 0.56 -0.12 0.00 4.81 -1.99 -2.65 114.58 115.19 1dm7 h GLU 123 Ca 0.46 -0.32 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1dm7 h GLU 123 Cb 1.88 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 31.28 1dm7 h GLU 123 CO -0.00 0.92 -0.08 0.37 -0.73 0.00 0.00 179.01 179.48 1dm7 h GLN 124 N 0.24 0.27 -0.39 1.92 5.75 -0.92 -3.09 115.11 118.89 1dm7 h GLN 124 Ca 0.02 -0.13 0.03 0.00 -0.15 0.00 0.00 58.65 58.43 1dm7 h GLN 124 Cb 0.85 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.38 1dm7 h GLN 124 CO 0.07 0.64 0.26 1.25 -2.65 0.00 0.00 178.83 178.40 1dm7 h LEU 125 N -0.10 0.36 0.21 -2.39 5.85 -1.23 -2.34 115.31 115.67 1dm7 h LEU 125 Ca 0.02 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1dm7 h LEU 125 Cb 0.57 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1dm7 h LEU 125 CO 0.02 0.25 -0.10 0.25 -0.34 0.00 0.00 178.44 178.52 1dm7 h LEU 126 N 0.42 -0.23 -1.62 2.25 7.12 -1.40 0.93 115.31 122.78 1dm7 h LEU 126 Ca 0.16 -0.15 -0.03 0.00 0.13 0.00 0.00 57.88 57.98 1dm7 h LEU 126 Cb 0.12 0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.31 1dm7 h LEU 126 CO -0.04 0.02 -0.13 0.77 -0.13 0.00 0.00 178.44 178.93 1dm7 h SER 127 N -0.49 0.08 0.05 1.25 4.64 -1.42 0.75 113.55 118.41 1dm7 h SER 127 Ca -0.03 -0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 61.10 1dm7 h SER 127 Cb 0.37 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1dm7 h SER 127 CO 0.05 0.22 -0.64 1.56 -0.87 0.00 0.00 176.83 177.14 1dm7 h GLN 128 N 0.08 0.56 -0.01 4.77 4.20 -1.21 -2.16 115.11 121.34 1dm7 h GLN 128 Ca 0.02 -0.40 -0.25 0.00 0.06 0.00 0.00 58.65 58.07 1dm7 h GLN 128 Cb 0.28 0.07 0.02 0.00 0.30 0.00 0.00 27.48 28.14 1dm7 h GLN 128 CO 0.02 1.02 -1.00 0.00 -0.67 0.00 0.00 178.83 178.20 1dm7 h ALA 129 N 0.88 0.20 -0.79 3.87 0.00 0.17 -2.60 119.26 120.99 1dm7 h ALA 129 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1dm7 h ALA 129 Cb 1.21 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1dm7 h ALA 129 CO 0.12 0.72 0.50 0.00 0.00 0.00 0.00 179.25 180.59 1dm7 h ARG 130 N 0.37 1.06 -0.16 0.00 3.08 0.51 -1.62 114.38 117.62 1dm7 h ARG 130 Ca -0.11 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 59.81 1dm7 h ARG 130 Cb 1.64 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 31.46 1dm7 h ARG 130 CO 0.19 0.72 -0.09 0.22 -1.07 0.00 0.00 179.97 179.94 1dm7 h ASP 131 N 1.08 0.35 -0.36 7.04 3.58 -1.38 -2.57 116.42 124.16 1dm7 h ASP 131 Ca 0.29 -0.42 -0.00 0.00 0.42 0.00 0.00 57.03 57.31 1dm7 h ASP 131 Cb -0.09 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 40.85 1dm7 h ASP 131 CO -0.06 0.70 0.21 0.15 -2.88 0.00 0.00 179.24 177.36 1dm7 h PHE 132 N -0.00 0.48 -0.73 0.28 3.57 -1.16 -1.49 116.94 117.88 1dm7 h PHE 132 Ca 0.03 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.59 1dm7 h PHE 132 Cb 0.57 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 1dm7 h PHE 132 CO 0.07 0.35 0.48 0.82 -2.23 0.00 0.00 178.31 177.80 1dm7 h ILE 133 N 0.46 1.04 -0.59 1.41 1.08 -1.33 0.63 117.51 120.21 1dm7 h ILE 133 Ca 0.13 -0.27 -0.08 0.00 -0.39 0.00 0.00 64.86 64.25 1dm7 h ILE 133 Cb 0.02 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 33.93 1dm7 h ILE 133 CO -0.02 0.14 0.06 0.78 -0.69 0.00 0.00 178.15 178.42 1dm7 h ASN 134 N 0.79 0.98 -0.50 1.72 2.35 -0.97 -1.37 115.58 118.58 1dm7 h ASN 134 Ca 0.31 -0.28 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1dm7 h ASN 134 Cb 0.21 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 1dm7 h ASN 134 CO -0.10 1.02 0.16 1.56 -1.65 0.00 0.00 177.43 178.42 1dm7 h GLN 135 N 0.91 0.82 0.13 0.81 4.20 -0.18 0.05 115.11 121.85 1dm7 h GLN 135 Ca 0.18 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1dm7 h GLN 135 Cb 0.48 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1dm7 h GLN 135 CO 0.02 0.72 -0.06 -0.92 -0.67 0.00 0.00 178.83 177.92 1dm7 h TYR 136 N 0.80 -0.16 -0.21 2.96 3.20 -0.51 -0.29 116.97 122.76 1dm7 h TYR 136 Ca 0.18 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 1dm7 h TYR 136 Cb 0.24 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 1dm7 h TYR 136 CO 0.01 0.19 -0.18 1.88 -1.64 0.00 0.00 178.16 178.42 1dm7 h TYR 137 N -0.52 0.39 -0.10 -3.82 -1.99 -1.18 -2.09 116.97 107.66 1dm7 h TYR 137 Ca -0.02 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.65 1dm7 h TYR 137 Cb 0.41 -0.10 -0.00 0.00 2.00 0.00 0.00 36.73 39.03 1dm7 h TYR 137 CO 0.04 0.53 0.06 1.03 -0.00 0.00 0.00 178.16 179.82 1dm7 h SER 138 N 0.33 0.11 -0.33 3.88 0.87 -0.94 0.13 113.55 117.61 1dm7 h SER 138 Ca 0.06 -0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.62 1dm7 h SER 138 Cb 0.51 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 1dm7 h SER 138 CO 0.03 0.11 0.22 0.77 -0.53 0.00 0.00 176.83 177.43 1dm7 h SER 139 N 0.11 0.28 -0.63 6.23 4.64 -0.48 -0.26 113.55 123.43 1dm7 h SER 139 Ca 0.03 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1dm7 h SER 139 Cb 0.01 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1dm7 h SER 139 CO -0.01 0.19 0.00 2.30 -0.87 0.00 0.00 176.83 178.44 1dm7 n ILE 140 N -4.49 2.11 -3.71 0.95 -5.35 -0.84 -4.96 119.36 103.07 1dm7 n ILE 140 Ca 0.03 -1.24 -0.27 0.00 -0.27 0.00 0.00 62.75 61.00 1dm7 n ILE 140 Cb 0.16 -0.00 0.03 0.00 -1.74 0.00 0.00 39.64 38.09 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 1.00 -2.49 -0.50 6.28 4.76 -0.11 -4.89 118.16 122.21 1dm7 n LYS 141 Ca 0.27 0.51 0.00 0.00 -2.87 0.00 0.00 58.31 56.21 1dm7 n LYS 141 Cb 0.99 -4.55 0.00 0.00 -1.84 0.00 0.00 35.03 29.63 1dm7 n LYS 141 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1dm7 n ARG 142 N -4.18 0.00 -1.68 1.97 5.12 0.30 -5.02 116.66 113.17 1dm7 n ARG 142 Ca -0.18 -0.92 -0.44 0.00 -1.93 0.00 0.00 57.85 54.38 1dm7 n ARG 142 Cb 0.63 -0.46 -0.03 0.00 -1.16 0.00 0.00 32.46 31.44 1dm7 n ARG 142 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1dm7 n SER 143 N 0.00 3.01 0.00 0.55 2.88 -1.20 -0.95 113.62 117.91 1dm7 n SER 143 Ca 0.00 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 1dm7 n SER 143 Cb 0.68 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 1dm7 n SER 143 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1dm7 n GLY 144 N 2.42 1.30 3.65 0.46 0.00 -1.26 -5.03 105.19 106.73 1dm7 n GLY 144 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1dm7 n GLY 144 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dm7 s SER 145 N -3.16 1.87 0.18 1.61 1.04 -0.12 -4.86 113.70 110.25 1dm7 s SER 145 Ca 0.00 0.91 -0.02 0.00 0.48 0.00 0.00 55.95 57.31 1dm7 s SER 145 Cb 0.00 -1.38 0.07 0.00 0.10 0.00 0.00 66.02 64.81 1dm7 s SER 145 CO 0.00 -3.57 1.45 -0.61 0.98 0.00 0.00 173.24 171.50 1dm7 h GLN 146 N -2.20 0.47 -0.39 4.02 4.15 -1.96 -2.62 115.11 116.58 1dm7 h GLN 146 Ca -0.50 -0.35 -0.06 0.00 0.77 0.00 0.00 58.65 58.50 1dm7 h GLN 146 Cb 1.32 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 29.05 1dm7 h GLN 146 CO 0.48 0.98 -0.01 0.00 -1.93 0.00 0.00 178.83 178.34 1dm7 h ALA 147 N 0.93 1.25 0.07 3.38 0.00 -1.92 -0.31 119.26 122.66 1dm7 h ALA 147 Ca -0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1dm7 h ALA 147 Cb 1.24 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1dm7 h ALA 147 CO 0.12 0.50 -0.03 1.25 0.00 0.00 0.00 179.25 181.09 1dm7 h HIS 148 N 0.60 -0.09 -0.50 0.00 -0.00 -1.78 0.49 115.15 113.87 1dm7 h HIS 148 Ca 0.12 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.46 1dm7 h HIS 148 Cb 0.39 0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.81 1dm7 h HIS 148 CO 0.02 0.16 0.21 0.93 -0.00 0.00 0.00 177.93 179.24 1dm7 h GLU 149 N -0.33 0.75 -0.28 5.26 4.39 -1.31 0.65 114.58 123.70 1dm7 h GLU 149 Ca -0.01 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 1dm7 h GLU 149 Cb 0.29 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1dm7 h GLU 149 CO 0.02 0.66 0.18 0.93 -1.16 0.00 0.00 179.01 179.63 1dm7 h GLU 150 N 0.67 0.38 -0.40 2.33 5.08 -1.00 0.24 114.58 121.88 1dm7 h GLU 150 Ca 0.17 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1dm7 h GLU 150 Cb 0.18 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1dm7 h GLU 150 CO -0.02 0.28 0.21 -0.09 -1.00 0.00 0.00 179.01 178.40 1dm7 h ARG 151 N 0.36 0.54 0.00 2.33 9.65 -0.67 0.12 114.38 126.71 1dm7 h ARG 151 Ca 0.10 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1dm7 h ARG 151 Cb -0.01 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.46 1dm7 h ARG 151 CO -0.02 0.40 -0.00 -0.07 2.80 0.00 0.00 179.97 183.08 1dm7 h LEU 152 N 0.55 -0.00 -1.25 3.80 3.38 0.62 -2.05 115.31 120.36 1dm7 h LEU 152 Ca 0.14 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1dm7 h LEU 152 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1dm7 h LEU 152 CO -0.02 0.23 0.10 1.56 0.09 0.00 0.00 178.44 180.40 1dm7 h GLN 153 N -0.24 0.62 -0.42 1.13 4.20 -0.03 -2.63 115.11 117.74 1dm7 h GLN 153 Ca -0.00 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 1dm7 h GLN 153 Cb 0.23 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1dm7 h GLN 153 CO 0.00 0.57 0.24 1.49 -0.67 0.00 0.00 178.83 180.46 1dm7 h GLU 154 N 0.61 0.57 -0.24 1.46 4.81 -0.55 -1.10 114.58 120.13 1dm7 h GLU 154 Ca 0.14 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1dm7 h GLU 154 Cb 0.23 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1dm7 h GLU 154 CO -0.00 0.44 0.03 0.28 -0.73 0.00 0.00 179.01 179.02 1dm7 h VAL 155 N 0.55 1.24 -0.13 0.32 2.07 -1.13 -1.88 116.25 117.28 1dm7 h VAL 155 Ca 0.15 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 66.87 1dm7 h VAL 155 Cb 0.02 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1dm7 h VAL 155 CO -0.03 0.26 0.03 -0.33 0.02 0.00 0.00 177.57 177.52 1dm7 h GLU 156 N 0.21 0.08 0.13 1.57 5.08 -1.38 -0.84 114.58 119.43 1dm7 h GLU 156 Ca 0.07 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1dm7 h GLU 156 Cb 0.36 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1dm7 h GLU 156 CO 0.01 0.06 -0.27 0.00 -1.00 0.00 0.00 179.01 177.80 1dm7 h ALA 157 N 1.09 -0.47 -0.44 3.43 0.00 -1.16 0.24 119.26 121.96 1dm7 h ALA 157 Ca 0.06 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1dm7 h ALA 157 Cb 0.05 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1dm7 h ALA 157 CO -0.07 -0.81 0.30 1.49 0.00 0.00 0.00 179.25 180.15 1dm7 h GLU 158 N -0.49 0.30 0.03 0.00 4.81 -1.09 0.85 114.58 119.00 1dm7 h GLU 158 Ca 0.03 -0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 59.02 1dm7 h GLU 158 Cb 0.51 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1dm7 h GLU 158 CO -0.15 0.20 -1.00 0.28 -0.73 0.00 0.00 179.01 177.60 1dm7 h VAL 159 N 0.31 1.57 0.28 0.32 2.07 -0.58 -1.48 116.25 118.74 1dm7 h VAL 159 Ca 0.20 -2.98 -0.01 0.00 0.82 0.00 0.00 66.70 64.72 1dm7 h VAL 159 Cb 0.38 2.70 -0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1dm7 h VAL 159 CO -0.04 0.86 -0.16 0.00 0.02 0.00 0.00 177.57 178.25 1dm7 h ALA 160 N 0.90 -0.40 0.05 1.67 0.00 0.18 0.26 119.26 121.92 1dm7 h ALA 160 Ca -0.05 -0.08 -0.27 0.00 0.00 0.00 0.00 54.91 54.50 1dm7 h ALA 160 Cb 1.70 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 1dm7 h ALA 160 CO 0.15 -0.73 -1.38 0.66 0.00 0.00 0.00 179.25 177.95 1dm7 h SER 161 N -0.41 0.18 0.00 0.00 4.64 -1.32 -3.39 113.55 113.25 1dm7 h SER 161 Ca -0.03 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1dm7 h SER 161 Cb 0.33 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1dm7 h SER 161 CO 0.04 1.20 -0.98 0.35 -0.87 0.00 0.00 176.83 176.57 1dm7 n THR 162 N -3.33 0.00 0.00 2.95 -2.24 -0.56 -5.00 114.28 106.10 1dm7 n THR 162 Ca -0.11 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1dm7 n THR 162 Cb 1.01 0.67 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 1.50 2.15 0.00 3.38 0.00 0.90 -4.96 105.19 108.16 1dm7 n GLY 163 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1dm7 n GLY 163 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1dm7 n THR 164 N -2.00 0.00 -3.77 2.61 5.66 -1.26 -4.88 114.28 110.64 1dm7 n THR 164 Ca 0.00 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.97 1dm7 n THR 164 Cb 0.00 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 1dm7 n THR 164 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1dm7 s TYR 165 N -1.29 -0.07 0.18 1.09 -0.85 -1.26 -2.42 117.35 112.72 1dm7 s TYR 165 Ca 0.00 -0.24 0.08 0.00 -0.52 0.00 0.00 57.07 56.39 1dm7 s TYR 165 Cb 0.00 0.65 -0.04 0.00 0.38 0.00 0.00 41.96 42.94 1dm7 s TYR 165 CO 0.00 -0.80 -0.16 -1.01 -1.52 0.00 0.00 175.55 172.05 1dm7 s HIS 166 N -2.96 1.74 -0.03 -3.49 3.76 -1.26 -5.02 115.29 108.04 1dm7 s HIS 166 Ca 0.15 -0.52 -0.08 0.00 -0.15 0.00 0.00 55.06 54.46 1dm7 s HIS 166 Cb -0.01 -0.85 -0.05 0.00 1.11 0.00 0.00 32.58 32.79 1dm7 s HIS 166 CO 0.02 0.33 0.25 -0.51 -0.85 0.00 0.00 174.74 173.98 1dm7 s LEU 167 N -2.92 4.39 0.65 0.89 1.43 -1.26 -5.05 118.68 116.81 1dm7 s LEU 167 Ca 0.18 0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 53.74 1dm7 s LEU 167 Cb -0.04 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.69 1dm7 s LEU 167 CO 0.06 0.31 1.05 -0.13 0.23 0.00 0.00 176.35 177.88 1dm7 s ARG 168 N -1.45 3.15 0.09 1.70 0.52 -1.26 -4.83 118.95 116.87 1dm7 s ARG 168 Ca 0.23 1.00 -0.20 0.00 -0.52 0.00 0.00 55.73 56.24 1dm7 s ARG 168 Cb -0.13 -2.02 -0.06 0.00 0.52 0.00 0.00 34.95 33.26 1dm7 s ARG 168 CO 0.12 -0.93 1.34 1.49 0.02 0.00 0.00 175.30 177.34 1dm7 h GLU 169 N -0.29 -0.16 -0.73 3.54 4.81 -2.00 -1.10 114.58 118.65 1dm7 h GLU 169 Ca -0.45 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 58.98 1dm7 h GLU 169 Cb 1.21 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.59 1dm7 h GLU 169 CO 0.58 -0.11 0.51 0.66 -0.73 0.00 0.00 179.01 179.92 1dm7 h SER 170 N -0.16 0.15 -0.31 1.04 4.64 -2.00 -0.57 113.55 116.34 1dm7 h SER 170 Ca 0.06 0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.25 1dm7 h SER 170 Cb 0.33 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1dm7 h SER 170 CO -0.44 0.07 -0.35 -0.33 -0.87 0.00 0.00 176.83 174.91 1dm7 h GLU 171 N 0.16 0.85 -0.37 4.77 5.08 -1.58 -1.59 114.58 121.89 1dm7 h GLU 171 Ca 0.35 -0.42 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1dm7 h GLU 171 Cb 1.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 1dm7 h GLU 171 CO -0.06 1.06 0.11 1.25 -1.00 0.00 0.00 179.01 180.37 1dm7 h LEU 172 N 0.70 0.55 -0.53 1.33 5.85 -0.57 -0.23 115.31 122.41 1dm7 h LEU 172 Ca 0.07 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1dm7 h LEU 172 Cb 0.91 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 1dm7 h LEU 172 CO 0.08 0.62 0.33 0.58 -0.34 0.00 0.00 178.44 179.71 1dm7 h VAL 173 N 0.46 1.16 -0.92 1.05 2.07 -1.38 -0.20 116.25 118.48 1dm7 h VAL 173 Ca 0.12 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1dm7 h VAL 173 Cb 0.27 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1dm7 h VAL 173 CO -0.00 0.16 0.53 0.15 0.02 0.00 0.00 177.57 178.42 1dm7 h PHE 174 N 0.71 1.24 -0.03 1.57 3.57 -1.00 -2.53 116.94 120.48 1dm7 h PHE 174 Ca 0.19 -0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.45 1dm7 h PHE 174 Cb -0.02 -0.40 0.01 0.00 2.79 0.00 0.00 35.95 38.32 1dm7 h PHE 174 CO -0.03 0.84 -0.90 0.78 -2.23 0.00 0.00 178.31 176.77 1dm7 h GLY 175 N 1.28 0.57 0.99 2.40 0.00 -0.67 -1.78 103.07 105.86 1dm7 h GLY 175 Ca 0.33 -0.93 0.01 0.00 0.00 0.00 0.00 47.33 46.73 1dm7 h GLY 175 CO -0.06 0.83 0.25 0.00 0.00 0.00 0.00 176.54 177.56 1dm7 h ALA 176 N 0.69 0.48 -0.64 3.60 0.00 -0.90 -0.29 119.26 122.19 1dm7 h ALA 176 Ca -0.08 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1dm7 h ALA 176 Cb 1.53 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1dm7 h ALA 176 CO 0.16 -0.07 0.14 0.87 0.00 0.00 0.00 179.25 180.35 1dm7 h LYS 177 N 0.50 1.04 -0.85 0.00 1.57 -1.45 -2.62 116.57 114.76 1dm7 h LYS 177 Ca 0.14 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1dm7 h LYS 177 Cb -0.05 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.09 1dm7 h LYS 177 CO -0.04 0.94 0.45 1.96 -0.57 0.00 0.00 179.45 182.19 1dm7 h GLN 178 N 0.96 1.20 -0.53 3.15 1.08 -0.91 0.14 115.11 120.20 1dm7 h GLN 178 Ca 0.20 -0.15 0.02 0.00 -1.45 0.00 0.00 58.65 57.27 1dm7 h GLN 178 Cb 0.38 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.55 1dm7 h GLN 178 CO 0.00 0.90 0.32 0.00 -0.95 0.00 0.00 178.83 179.10 1dm7 h ALA 179 N 1.24 0.68 -0.03 3.87 0.00 -0.78 0.71 119.26 124.95 1dm7 h ALA 179 Ca 0.30 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1dm7 h ALA 179 Cb 0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1dm7 h ALA 179 CO -0.04 0.03 0.00 2.35 0.00 0.00 0.00 179.25 181.59 1dm7 h TRP 180 N 0.63 0.05 -1.01 0.00 7.01 -1.11 -2.04 115.95 119.49 1dm7 h TRP 180 Ca 0.21 -0.01 0.20 0.00 2.11 0.00 0.00 58.89 61.41 1dm7 h TRP 180 Cb 0.02 -0.01 -0.11 0.00 -2.10 0.00 0.00 29.16 26.95 1dm7 h TRP 180 CO -0.06 0.32 0.61 -0.09 -2.79 0.00 0.00 178.44 176.42 1dm7 h ARG 181 N -0.23 0.70 -0.00 2.65 2.43 -0.02 -0.46 114.38 119.45 1dm7 h ARG 181 Ca 0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1dm7 h ARG 181 Cb 0.30 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1dm7 h ARG 181 CO 0.00 0.46 -0.13 0.09 -1.51 0.00 0.00 179.97 178.89 1dm7 n ASN 182 N -4.79 0.18 -4.60 -3.80 3.02 0.24 -4.87 115.26 100.64 1dm7 n ASN 182 Ca 0.24 0.11 -0.43 0.00 -0.03 0.00 0.00 54.58 54.47 1dm7 n ASN 182 Cb 0.62 -0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 39.51 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 -2.88 2.73 0.40 5.41 0.00 -0.18 -4.69 121.76 122.55 1dm7 s ALA 183 Ca 0.17 0.57 0.27 0.00 0.00 0.00 0.00 51.96 52.96 1dm7 s ALA 183 Cb 0.19 -4.07 1.40 0.00 0.00 0.00 0.00 23.12 20.64 1dm7 s ALA 183 CO 0.55 -2.81 2.05 -1.35 0.00 0.00 0.00 175.76 174.21 1dm7 h PRO 184 N 14.47 0.00 -0.02 0.00 0.11 -1.89 -3.07 132.00 141.61 1dm7 h PRO 184 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1dm7 h PRO 184 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1dm7 h PRO 184 CO 0.99 0.13 -0.17 0.54 -0.21 0.00 0.00 178.00 179.28 1dm7 n ARG 185 N -3.65 1.56 -3.27 1.05 1.74 -1.26 -0.65 116.66 112.18 1dm7 n ARG 185 Ca -0.02 -1.13 -0.40 0.00 -0.77 0.00 0.00 57.85 55.53 1dm7 n ARG 185 Cb 0.25 -1.48 -0.08 0.00 -1.02 0.00 0.00 32.46 30.13 1dm7 n ARG 185 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1dm7 n VAL 187 N 5.20 0.00 -0.93 0.00 3.14 -1.26 -3.95 118.33 120.52 1dm7 n VAL 187 Ca -0.05 -0.03 0.06 0.00 -2.96 0.00 0.00 64.34 61.36 1dm7 n VAL 187 Cb 0.50 -0.02 0.39 0.00 -1.06 0.00 0.00 33.84 33.64 1dm7 n VAL 187 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1dm7 n GLY 188 N 1.42 3.15 0.00 7.55 0.00 -1.26 -4.48 105.19 111.56 1dm7 n GLY 188 Ca 0.09 -0.95 0.03 0.00 0.00 0.00 0.00 46.02 45.20 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 0.46 0.13 0.28 1.61 1.74 -1.25 -2.06 116.66 117.57 1dm7 n ARG 189 Ca 0.29 0.15 0.18 0.00 -0.77 0.00 0.00 57.85 57.69 1dm7 n ARG 189 Cb 1.20 -1.50 0.76 0.00 -1.02 0.00 0.00 32.46 31.90 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 -0.13 0.55 2.10 -1.86 -0.98 117.51 117.19 1dm7 h ILE 190 Ca 0.00 -0.40 0.00 0.00 1.08 0.00 0.00 64.86 65.54 1dm7 h ILE 190 Cb 0.04 1.38 0.00 0.00 -1.09 0.00 0.00 36.82 37.15 1dm7 h ILE 190 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 1dm7 n GLN 191 N -3.02 1.76 -0.33 2.19 1.13 -0.87 -4.58 117.38 113.66 1dm7 n GLN 191 Ca 0.00 -1.14 0.24 0.00 -1.94 0.00 0.00 57.00 54.17 1dm7 n GLN 191 Cb 0.26 -1.43 0.53 0.00 0.11 0.00 0.00 30.24 29.71 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 2.43 0.62 0.00 1.08 5.08 -1.36 0.23 115.95 124.04 1dm7 h TRP 192 Ca 0.00 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.99 1dm7 h TRP 192 Cb 0.53 -0.18 0.00 0.00 -3.00 0.00 0.00 29.16 26.51 1dm7 h TRP 192 CO 0.08 0.04 0.00 0.41 -1.28 0.00 0.00 178.44 177.68 1dm7 n GLY 193 N -1.49 -1.16 2.94 11.11 0.00 -1.26 -4.23 105.19 111.10 1dm7 n GLY 193 Ca 0.26 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1dm7 n GLY 193 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1dm7 n LYS 194 N -1.24 2.39 -4.61 1.61 4.81 0.07 -5.02 118.16 116.16 1dm7 n LYS 194 Ca 0.14 -4.52 -0.24 0.00 -0.87 0.00 0.00 58.31 52.83 1dm7 n LYS 194 Cb 0.20 -2.35 -0.16 0.00 0.02 0.00 0.00 35.03 32.74 1dm7 n LYS 194 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1dm7 s LEU 195 N -1.62 1.76 -0.29 3.14 2.96 -1.26 -4.59 118.68 118.78 1dm7 s LEU 195 Ca 0.28 -0.29 -0.18 0.00 -0.22 0.00 0.00 54.13 53.73 1dm7 s LEU 195 Cb -0.03 -0.80 -0.02 0.00 0.50 0.00 0.00 46.19 45.85 1dm7 s LEU 195 CO -0.12 0.08 0.52 -1.58 -1.32 0.00 0.00 176.35 173.93 1dm7 s GLN 196 N 0.35 3.92 -0.43 1.98 2.00 -0.91 -4.97 119.66 121.60 1dm7 s GLN 196 Ca -0.08 0.17 -0.13 0.00 -2.00 0.00 0.00 55.36 53.32 1dm7 s GLN 196 Cb -0.13 -3.71 0.05 0.00 0.80 0.00 0.00 33.01 30.03 1dm7 s GLN 196 CO 0.02 -0.46 0.31 0.08 -0.50 0.00 0.00 175.29 174.74 1dm7 s VAL 197 N 2.37 4.90 -0.25 1.34 1.01 -1.26 -0.97 120.40 127.53 1dm7 s VAL 197 Ca 0.21 -1.00 -0.21 0.00 0.00 0.00 0.00 61.98 60.98 1dm7 s VAL 197 Cb -0.15 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 1dm7 s VAL 197 CO 0.11 -0.43 0.64 -0.36 0.00 0.00 0.00 175.10 175.05 1dm7 s PHE 198 N 1.59 3.29 -0.50 5.22 0.08 0.10 -4.99 117.98 122.76 1dm7 s PHE 198 Ca 0.04 0.84 -0.22 0.00 0.12 0.00 0.00 56.93 57.70 1dm7 s PHE 198 Cb -0.22 -2.85 0.04 0.00 -0.57 0.00 0.00 43.02 39.42 1dm7 s PHE 198 CO 0.06 -0.32 0.80 0.34 -0.10 0.00 0.00 175.22 176.01 1dm7 s ASP 199 N 1.44 6.33 -0.25 1.36 3.68 -1.26 -0.98 116.67 126.99 1dm7 s ASP 199 Ca 0.27 -0.40 0.09 0.00 2.13 0.00 0.00 52.55 54.64 1dm7 s ASP 199 Cb -0.15 -2.38 0.44 0.00 -1.45 0.00 0.00 42.92 39.38 1dm7 s ASP 199 CO 0.08 -1.03 1.25 0.00 0.13 0.00 0.00 175.17 175.61 1dm7 n ALA 200 N 6.87 4.21 0.97 3.66 0.00 0.39 -4.73 120.51 131.88 1dm7 n ALA 200 Ca -0.00 -3.45 0.09 0.00 0.00 0.00 0.00 53.44 50.08 1dm7 n ALA 200 Cb 0.47 -0.41 0.49 0.00 0.00 0.00 0.00 19.45 20.00 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 -0.99 0.39 0.05 0.00 1.74 -0.77 -1.88 116.66 115.20 1dm7 n ARG 201 Ca 0.29 0.07 0.11 0.00 -0.77 0.00 0.00 57.85 57.55 1dm7 n ARG 201 Cb 0.81 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.74 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 -1.16 0.57 -4.54 0.55 5.75 -1.26 -4.42 116.55 112.04 1dm7 n ASP 202 Ca 0.11 0.01 -0.50 0.00 -0.01 0.00 0.00 54.79 54.40 1dm7 n ASP 202 Cb 0.11 0.89 -0.04 0.00 -1.03 0.00 0.00 41.12 41.05 1dm7 n ASP 202 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1dm7 n SER 204 N 1.87 0.06 -3.54 0.00 3.41 -1.26 -4.76 113.62 109.40 1dm7 n SER 204 Ca 0.16 -2.01 -0.18 0.00 -0.26 0.00 0.00 58.87 56.59 1dm7 n SER 204 Cb 0.23 -0.20 -0.06 0.00 -0.26 0.00 0.00 64.21 63.91 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 -1.03 -0.62 0.44 4.04 1.04 -1.26 -4.99 113.70 111.32 1dm7 s SER 205 Ca 0.01 0.66 0.13 0.00 0.48 0.00 0.00 55.95 57.22 1dm7 s SER 205 Cb 0.01 0.52 1.02 0.00 0.10 0.00 0.00 66.02 67.67 1dm7 s SER 205 CO 0.00 -0.59 2.01 0.00 0.98 0.00 0.00 173.24 175.64 1dm7 h ALA 206 N 3.08 1.96 -0.43 5.32 0.00 -1.93 0.15 119.26 127.40 1dm7 h ALA 206 Ca -0.27 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 1dm7 h ALA 206 Cb 1.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1dm7 h ALA 206 CO 0.39 -0.05 -0.22 0.37 0.00 0.00 0.00 179.25 179.73 1dm7 h GLN 207 N 0.40 0.87 -0.14 0.00 5.75 -1.95 -2.26 115.11 117.78 1dm7 h GLN 207 Ca 0.22 -0.36 -0.17 0.00 -0.15 0.00 0.00 58.65 58.19 1dm7 h GLN 207 Cb 0.37 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 1dm7 h GLN 207 CO -0.06 1.01 -0.62 1.49 -2.65 0.00 0.00 178.83 178.00 1dm7 h GLU 208 N 0.76 0.51 -0.84 1.69 4.81 -1.30 -2.72 114.58 117.48 1dm7 h GLU 208 Ca 0.10 -0.35 0.06 0.00 -0.13 0.00 0.00 59.36 59.04 1dm7 h GLU 208 Cb 0.77 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.14 1dm7 h GLU 208 CO 0.06 0.97 0.52 0.52 -0.73 0.00 0.00 179.01 180.35 1dm7 h MET 209 N 0.37 0.93 -0.13 1.92 2.86 -0.62 -0.97 114.93 119.30 1dm7 h MET 209 Ca -0.01 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1dm7 h MET 209 Cb 1.17 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.61 1dm7 h MET 209 CO 0.11 0.62 -0.09 0.35 1.06 0.00 0.00 176.91 178.96 1dm7 h PHE 210 N 0.96 0.20 -0.09 -0.22 3.04 -1.12 -0.58 116.94 119.13 1dm7 h PHE 210 Ca 0.36 -0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.24 1dm7 h PHE 210 Cb 0.15 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.60 1dm7 h PHE 210 CO -0.03 0.29 -0.16 1.15 -2.02 0.00 0.00 178.31 177.53 1dm7 h THR 211 N 0.19 1.40 -0.48 4.41 2.02 -0.92 -1.91 112.91 117.61 1dm7 h THR 211 Ca 0.04 -1.45 -0.00 0.00 0.77 0.00 0.00 66.41 65.77 1dm7 h THR 211 Cb 0.29 2.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.82 1dm7 h THR 211 CO 0.02 0.41 0.29 1.88 0.37 0.00 0.00 175.52 178.49 1dm7 h TYR 212 N -0.20 0.63 -0.78 3.16 -1.99 -1.05 -0.20 116.97 116.55 1dm7 h TYR 212 Ca 0.00 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.75 1dm7 h TYR 212 Cb 0.75 -0.21 -0.04 0.00 2.00 0.00 0.00 36.73 39.23 1dm7 h TYR 212 CO 0.11 0.43 0.51 0.82 -0.00 0.00 0.00 178.16 180.04 1dm7 h ILE 213 N 0.64 1.19 -0.61 -2.88 2.04 -1.12 0.51 117.51 117.28 1dm7 h ILE 213 Ca 0.17 -0.36 -0.09 0.00 1.00 0.00 0.00 64.86 65.59 1dm7 h ILE 213 Cb -0.02 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.10 1dm7 h ILE 213 CO -0.03 0.19 0.04 0.00 0.00 0.00 0.00 178.15 178.34 1dm7 h ASN 215 N 0.97 1.09 0.47 0.00 2.35 -0.07 -1.32 115.58 119.08 1dm7 h ASN 215 Ca 0.18 -0.24 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 1dm7 h ASN 215 Cb 0.51 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1dm7 h ASN 215 CO 0.02 1.04 -0.23 -0.74 -1.65 0.00 0.00 177.43 175.88 1dm7 h HIS 216 N 1.09 -0.59 -0.87 1.19 2.76 0.56 -1.09 115.15 118.21 1dm7 h HIS 216 Ca 0.22 -0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.48 1dm7 h HIS 216 Cb 0.38 0.20 -0.06 0.00 1.55 0.00 0.00 27.41 29.47 1dm7 h HIS 216 CO 0.03 -0.35 0.56 0.82 -1.30 0.00 0.00 177.93 177.69 1dm7 h ILE 217 N -0.67 0.95 -0.28 6.26 2.04 -0.84 0.41 117.51 125.39 1dm7 h ILE 217 Ca -0.07 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 1dm7 h ILE 217 Cb 0.50 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1dm7 h ILE 217 CO 0.11 0.15 -0.11 0.11 0.00 0.00 0.00 178.15 178.41 1dm7 h LYS 218 N 0.83 0.57 -0.14 2.37 1.57 -1.01 -0.26 116.57 120.50 1dm7 h LYS 218 Ca 0.40 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 58.83 1dm7 h LYS 218 Cb 0.44 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1dm7 h LYS 218 CO -0.17 0.80 -0.33 -0.92 -0.57 0.00 0.00 179.45 178.26 1dm7 h TYR 219 N 0.32 0.61 -0.73 -1.35 5.03 -0.56 -2.37 116.97 117.92 1dm7 h TYR 219 Ca 0.07 -0.23 -0.07 0.00 2.58 0.00 0.00 58.73 61.08 1dm7 h TYR 219 Cb 0.62 -0.11 -0.03 0.00 1.55 0.00 0.00 36.73 38.76 1dm7 h TYR 219 CO 0.06 0.96 0.20 0.00 -1.32 0.00 0.00 178.16 178.05 1dm7 h ALA 220 N 0.54 0.96 -0.07 1.82 0.00 -0.23 -3.18 119.26 119.10 1dm7 h ALA 220 Ca -0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1dm7 h ALA 220 Cb 0.94 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1dm7 h ALA 220 CO 0.07 0.67 -0.14 1.15 0.00 0.00 0.00 179.25 181.00 1dm7 h THR 221 N 1.09 1.41 -6.63 0.00 2.02 -1.10 -1.39 112.91 108.31 1dm7 h THR 221 Ca 0.23 -1.44 -0.53 0.00 0.77 0.00 0.00 66.41 65.45 1dm7 h THR 221 Cb 0.35 2.18 -0.14 0.00 -1.74 0.00 0.00 68.15 68.80 1dm7 h THR 221 CO -0.00 0.40 -0.84 -3.20 0.37 0.00 0.00 175.52 172.25 1dm7 n ASN 222 N -4.61 -2.56 -2.29 4.18 5.15 -0.89 -0.98 115.26 113.26 1dm7 n ASN 222 Ca -0.08 -0.99 -0.16 0.00 -0.60 0.00 0.00 54.58 52.75 1dm7 n ASN 222 Cb 0.37 -2.96 -0.02 0.00 -0.53 0.00 0.00 39.78 36.64 1dm7 n ASN 222 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1dm7 n ARG 223 N -4.43 -1.88 0.00 1.20 1.74 -1.26 -2.17 116.66 109.86 1dm7 n ARG 223 Ca -0.05 0.82 0.00 0.00 -0.77 0.00 0.00 57.85 57.86 1dm7 n ARG 223 Cb 0.55 -5.41 0.00 0.00 -1.02 0.00 0.00 32.46 26.58 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 -0.82 2.10 3.04 -0.13 0.00 -0.15 -4.93 105.19 104.29 1dm7 n GLY 224 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 5.58 -4.65 1.61 5.15 -0.92 -0.70 115.26 121.33 1dm7 n ASN 225 Ca 0.00 -3.18 -0.45 0.00 -0.60 0.00 0.00 54.58 50.35 1dm7 n ASN 225 Cb 0.00 -1.41 -0.02 0.00 -0.53 0.00 0.00 39.78 37.81 1dm7 n ASN 225 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1dm7 n LEU 226 N 3.17 2.83 -4.14 1.20 4.32 -1.23 -4.58 117.00 118.58 1dm7 n LEU 226 Ca 0.33 1.15 -0.29 0.00 -0.02 0.00 0.00 56.01 57.19 1dm7 n LEU 226 Cb 0.36 -1.39 -0.17 0.00 -1.62 0.00 0.00 43.42 40.60 1dm7 n LEU 226 CO 0.73 -0.68 -0.52 -0.13 -1.22 0.00 0.00 177.39 175.57 1dm7 s ARG 227 N -0.69 2.48 0.45 3.23 0.52 -0.52 -4.99 118.95 119.42 1dm7 s ARG 227 Ca 0.66 -0.69 -0.25 0.00 -0.52 0.00 0.00 55.73 54.94 1dm7 s ARG 227 Cb -0.67 -1.93 -0.08 0.00 0.52 0.00 0.00 34.95 32.80 1dm7 s ARG 227 CO 0.52 0.12 1.31 -1.12 0.02 0.00 0.00 175.30 176.16 1dm7 s SER 228 N 0.46 6.03 0.19 0.23 0.01 -1.26 -4.43 113.70 114.92 1dm7 s SER 228 Ca -0.17 2.66 -0.23 0.00 1.31 0.00 0.00 55.95 59.52 1dm7 s SER 228 Cb -0.17 -2.63 0.05 0.00 0.21 0.00 0.00 66.02 63.48 1dm7 s SER 228 CO 0.07 -1.04 0.72 0.00 0.41 0.00 0.00 173.24 173.39 1dm7 s ALA 229 N -1.30 -1.47 -0.15 1.44 0.00 -0.44 -2.13 121.76 117.70 1dm7 s ALA 229 Ca 0.61 0.16 -0.15 0.00 0.00 0.00 0.00 51.96 52.59 1dm7 s ALA 229 Cb -0.38 0.80 0.04 0.00 0.00 0.00 0.00 23.12 23.58 1dm7 s ALA 229 CO 0.48 -0.90 0.42 -1.50 0.00 0.00 0.00 175.76 174.25 1dm7 s ILE 230 N -3.71 0.00 -0.13 0.00 2.07 -0.15 -0.80 121.20 118.48 1dm7 s ILE 230 Ca 0.07 -0.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.31 1dm7 s ILE 230 Cb -0.03 -0.59 -0.00 0.00 0.13 0.00 0.00 42.46 41.97 1dm7 s ILE 230 CO -0.03 -0.00 -0.17 -0.89 -1.91 0.00 0.00 174.94 171.94 1dm7 s THR 231 N 0.20 2.56 -0.27 4.00 2.01 -0.62 0.00 115.64 123.52 1dm7 s THR 231 Ca -0.00 -0.82 -0.06 0.00 0.31 0.00 0.00 61.69 61.12 1dm7 s THR 231 Cb -0.03 -2.05 0.00 0.00 0.01 0.00 0.00 72.50 70.43 1dm7 s THR 231 CO 0.01 0.53 0.05 -0.69 -0.69 0.00 0.00 174.62 173.83 1dm7 s VAL 232 N 0.57 3.81 0.49 3.82 1.01 -0.15 -3.31 120.40 126.64 1dm7 s VAL 232 Ca -0.10 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1dm7 s VAL 232 Cb -0.16 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.32 1dm7 s VAL 232 CO 0.04 0.17 0.71 -0.36 0.00 0.00 0.00 175.10 175.66 1dm7 s PHE 233 N 1.49 3.02 0.01 5.22 0.08 -0.98 -0.46 117.98 126.36 1dm7 s PHE 233 Ca 0.03 0.07 -0.38 0.00 0.12 0.00 0.00 56.93 56.77 1dm7 s PHE 233 Cb -0.16 -2.52 -0.17 0.00 -0.57 0.00 0.00 43.02 39.59 1dm7 s PHE 233 CO 0.01 -0.61 1.32 -2.30 -0.10 0.00 0.00 175.22 173.55 1dm7 n PRO 234 N -2.19 0.85 -0.56 0.24 -0.02 -1.26 -4.72 135.00 127.35 1dm7 n PRO 234 Ca 0.05 0.31 -0.29 0.00 -2.02 0.00 0.00 63.50 61.55 1dm7 n PRO 234 Cb 0.59 -1.92 0.24 0.00 -0.02 0.00 0.00 33.50 32.39 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 0.73 -0.69 0.32 -0.52 -2.07 -1.26 -4.57 119.66 111.60 1dm7 s GLN 235 Ca 0.88 0.94 -0.28 0.00 -1.82 0.00 0.00 55.36 55.08 1dm7 s GLN 235 Cb -1.05 -1.57 -0.09 0.00 -1.09 0.00 0.00 33.01 29.20 1dm7 s GLN 235 CO 0.52 -3.60 1.14 1.03 -1.32 0.00 0.00 175.29 173.06 1dm7 s ARG 236 N -4.48 4.47 0.16 9.60 0.52 0.20 -4.89 118.95 124.53 1dm7 s ARG 236 Ca 0.68 1.86 0.10 0.00 -0.52 0.00 0.00 55.73 57.85 1dm7 s ARG 236 Cb -0.25 -3.04 -0.04 0.00 0.52 0.00 0.00 34.95 32.14 1dm7 s ARG 236 CO 0.64 0.04 -0.20 0.00 0.02 0.00 0.00 175.30 175.79 1dm7 s ALA 237 N -1.24 2.62 -0.28 2.13 0.00 -1.26 -4.81 121.76 118.92 1dm7 s ALA 237 Ca 0.48 -1.52 -0.40 0.00 0.00 0.00 0.00 51.96 50.52 1dm7 s ALA 237 Cb -0.32 -0.48 -0.16 0.00 0.00 0.00 0.00 23.12 22.16 1dm7 s ALA 237 CO 0.42 0.49 1.75 -2.30 0.00 0.00 0.00 175.76 176.12 1dm7 n PRO 238 N 0.43 1.17 -1.40 0.00 -0.02 -1.26 -1.53 135.00 132.39 1dm7 n PRO 238 Ca -0.14 0.43 -0.14 0.00 -2.02 0.00 0.00 63.50 61.63 1dm7 n PRO 238 Cb 0.55 -2.11 -0.06 0.00 -0.02 0.00 0.00 33.50 31.85 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 4.23 1.36 3.71 -1.23 0.00 -1.23 -4.97 105.19 107.06 1dm7 n GLY 239 Ca 0.27 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.17 2.48 0.65 1.61 3.52 -0.58 -5.11 118.95 118.34 1dm7 s ARG 240 Ca 0.00 -1.35 -0.16 0.00 -0.13 0.00 0.00 55.73 54.09 1dm7 s ARG 240 Cb 0.00 -2.27 -0.01 0.00 -1.56 0.00 0.00 34.95 31.11 1dm7 s ARG 240 CO 0.00 0.31 1.13 0.20 -0.81 0.00 0.00 175.30 176.13 1dm7 s GLY 241 N -3.76 2.30 0.33 8.12 0.00 -1.26 -4.62 107.32 108.43 1dm7 s GLY 241 Ca 0.33 0.67 -0.05 0.00 0.00 0.00 0.00 44.72 45.68 1dm7 s GLY 241 CO 0.22 1.04 0.60 0.99 0.00 0.00 0.00 173.10 175.95 1dm7 s ASP 242 N -2.30 6.43 -0.15 1.64 -0.00 -1.26 -4.42 116.67 116.61 1dm7 s ASP 242 Ca 0.70 0.77 -0.23 0.00 -0.00 0.00 0.00 52.55 53.78 1dm7 s ASP 242 Cb -0.23 -2.17 -0.02 0.00 -0.00 0.00 0.00 42.92 40.50 1dm7 s ASP 242 CO 0.39 -0.27 0.73 -0.36 -0.00 0.00 0.00 175.17 175.66 1dm7 s PHE 243 N -2.20 3.44 0.01 4.23 0.40 -1.26 -3.78 117.98 118.82 1dm7 s PHE 243 Ca 0.45 1.14 0.00 0.00 -0.60 0.00 0.00 56.93 57.92 1dm7 s PHE 243 Cb -0.10 -2.89 -0.01 0.00 0.51 0.00 0.00 43.02 40.53 1dm7 s PHE 243 CO 0.32 -0.13 -0.01 1.03 0.70 0.00 0.00 175.22 177.12 1dm7 s ARG 244 N 1.72 0.12 -0.34 0.44 1.81 -0.32 -3.17 118.95 119.21 1dm7 s ARG 244 Ca 0.35 -0.20 -0.06 0.00 -1.72 0.00 0.00 55.73 54.10 1dm7 s ARG 244 Cb -0.17 0.01 0.05 0.00 -0.45 0.00 0.00 34.95 34.39 1dm7 s ARG 244 CO 0.13 -0.01 0.11 0.42 -0.68 0.00 0.00 175.30 175.27 1dm7 s ILE 245 N -0.44 3.73 0.41 1.52 1.01 -1.26 -0.82 121.20 125.35 1dm7 s ILE 245 Ca -0.05 -1.21 0.08 0.00 0.00 0.00 0.00 60.65 59.48 1dm7 s ILE 245 Cb -0.03 -3.15 0.24 0.00 0.01 0.00 0.00 42.46 39.53 1dm7 s ILE 245 CO -0.00 -0.22 2.02 -0.50 0.00 0.00 0.00 174.94 176.24 1dm7 h TRP 246 N 8.21 0.42 -3.96 3.97 4.06 -1.59 -3.42 115.95 123.63 1dm7 h TRP 246 Ca -0.23 -0.00 -0.51 0.00 2.06 0.00 0.00 58.89 60.21 1dm7 h TRP 246 Cb 1.08 -0.14 0.06 0.00 -1.00 0.00 0.00 29.16 29.16 1dm7 h TRP 246 CO 0.59 0.32 0.52 -0.80 -3.56 0.00 0.00 178.44 175.51 1dm7 s ASN 247 N -6.77 6.37 0.21 -3.49 -0.87 -1.26 -4.93 114.94 104.19 1dm7 s ASN 247 Ca -0.07 2.39 0.05 0.00 -1.57 0.00 0.00 52.86 53.65 1dm7 s ASN 247 Cb 0.17 -2.61 0.14 0.00 -0.02 0.00 0.00 41.25 38.92 1dm7 s ASN 247 CO 0.73 -0.79 1.48 0.77 -2.57 0.00 0.00 177.10 176.72 1dm7 h SER 248 N 2.46 0.19 -4.36 -1.22 4.64 -1.89 -3.33 113.55 110.02 1dm7 h SER 248 Ca -0.49 -0.13 -0.29 0.00 -0.47 0.00 0.00 61.79 60.41 1dm7 h SER 248 Cb 1.24 -0.06 -0.25 0.00 -0.31 0.00 0.00 62.40 63.03 1dm7 h SER 248 CO 0.62 0.86 -0.74 -1.10 -0.87 0.00 0.00 176.83 175.60 1dm7 s GLN 249 N -3.43 0.45 0.46 4.77 -0.21 -1.26 -0.04 119.66 120.39 1dm7 s GLN 249 Ca -0.03 -0.47 0.17 0.00 0.02 0.00 0.00 55.36 55.06 1dm7 s GLN 249 Cb 0.11 -0.31 1.14 0.00 1.00 0.00 0.00 33.01 34.95 1dm7 s GLN 249 CO 0.80 0.07 1.98 -0.07 -2.12 0.00 0.00 175.29 175.95 1dm7 h LEU 250 N 5.23 0.26 -7.98 2.90 3.38 -1.59 -3.37 115.31 114.13 1dm7 h LEU 250 Ca -0.32 0.01 -0.64 0.00 0.09 0.00 0.00 57.88 57.02 1dm7 h LEU 250 Cb 1.20 -0.04 -0.35 0.00 0.09 0.00 0.00 40.66 41.55 1dm7 h LEU 250 CO 0.45 0.15 -0.85 -0.69 0.09 0.00 0.00 178.44 177.59 1dm7 s VAL 251 N -5.28 1.85 0.06 1.22 1.01 -1.26 -4.90 120.40 113.10 1dm7 s VAL 251 Ca -0.07 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 61.01 1dm7 s VAL 251 Cb 0.20 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 1dm7 s VAL 251 CO 0.74 0.48 0.15 -0.13 0.00 0.00 0.00 175.10 176.35 1dm7 s ARG 252 N 1.37 0.71 -0.04 2.72 1.81 -1.26 -4.89 118.95 119.37 1dm7 s ARG 252 Ca 0.05 -0.82 -0.03 0.00 -1.72 0.00 0.00 55.73 53.20 1dm7 s ARG 252 Cb -0.13 0.28 -0.04 0.00 -0.45 0.00 0.00 34.95 34.62 1dm7 s ARG 252 CO -0.12 -0.20 0.12 0.71 -0.68 0.00 0.00 175.30 175.13 1dm7 s TYR 253 N -3.13 3.42 0.61 -0.53 2.02 -1.26 -0.73 117.35 117.75 1dm7 s TYR 253 Ca -0.01 0.33 -0.19 0.00 -0.37 0.00 0.00 57.07 56.83 1dm7 s TYR 253 Cb 0.02 -1.82 -0.03 0.00 -0.40 0.00 0.00 41.96 39.73 1dm7 s TYR 253 CO -0.07 0.62 1.25 0.00 -1.57 0.00 0.00 175.55 175.78 1dm7 s ALA 254 N -1.16 2.49 -0.31 3.71 0.00 0.12 -4.45 121.76 122.17 1dm7 s ALA 254 Ca 0.21 1.12 0.01 0.00 0.00 0.00 0.00 51.96 53.30 1dm7 s ALA 254 Cb -0.12 -3.50 0.09 0.00 0.00 0.00 0.00 23.12 19.59 1dm7 s ALA 254 CO 0.12 -1.35 0.05 0.20 0.00 0.00 0.00 175.76 174.77 1dm7 s GLY 255 N -1.47 1.45 -0.24 0.00 0.00 -1.24 -1.43 107.32 104.39 1dm7 s GLY 255 Ca 0.79 -1.94 -0.16 0.00 0.00 0.00 0.00 44.72 43.41 1dm7 s GLY 255 CO 0.37 1.22 0.42 -0.19 0.00 0.00 0.00 173.10 174.92 1dm7 s TYR 256 N 1.30 3.31 -0.12 1.90 4.12 0.42 -4.28 117.35 123.99 1dm7 s TYR 256 Ca 0.07 0.56 -0.30 0.00 0.02 0.00 0.00 57.07 57.42 1dm7 s TYR 256 Cb -0.18 -2.59 -0.02 0.00 -1.52 0.00 0.00 41.96 37.65 1dm7 s TYR 256 CO -0.15 -0.14 1.20 0.50 0.02 0.00 0.00 175.55 176.98 1dm7 s ARG 257 N 1.79 4.30 0.42 -0.62 6.06 -1.26 -0.24 118.95 129.39 1dm7 s ARG 257 Ca 0.18 1.62 -0.01 0.00 -2.50 0.00 0.00 55.73 55.03 1dm7 s ARG 257 Cb -0.15 -3.65 -0.02 0.00 0.06 0.00 0.00 34.95 31.19 1dm7 s ARG 257 CO 0.09 -0.56 0.65 -0.65 -2.50 0.00 0.00 175.30 172.32 1dm7 s GLN 258 N 2.82 3.30 0.08 5.12 -1.52 0.27 -4.96 119.66 124.78 1dm7 s GLN 258 Ca 0.54 -0.31 -0.27 0.00 -1.95 0.00 0.00 55.36 53.37 1dm7 s GLN 258 Cb -0.22 -2.56 -0.17 0.00 -0.22 0.00 0.00 33.01 29.84 1dm7 s GLN 258 CO 0.17 -0.10 1.69 -0.56 -0.25 0.00 0.00 175.29 176.24 1dm7 h GLN 259 N 0.50 -0.37 0.00 2.91 -0.00 -1.95 -0.83 115.11 115.37 1dm7 h GLN 259 Ca -0.48 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.20 1dm7 h GLN 259 Cb 1.23 0.08 0.00 0.00 -0.00 0.00 0.00 27.48 28.80 1dm7 h GLN 259 CO 0.60 -0.24 0.02 -0.40 -0.00 0.00 0.00 178.83 178.80 1dm7 n ASP 260 N -5.25 0.00 0.00 0.06 5.68 -1.26 -4.78 116.55 110.99 1dm7 n ASP 260 Ca -0.10 0.38 0.00 0.00 -0.50 0.00 0.00 54.79 54.57 1dm7 n ASP 260 Cb 0.17 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 39.77 1dm7 n ASP 260 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dm7 n GLY 261 N -1.38 2.51 3.57 6.12 0.00 -0.32 -5.09 105.19 110.61 1dm7 n GLY 261 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.82 0.93 -0.07 1.61 1.04 -1.26 -4.52 113.70 110.61 1dm7 s SER 262 Ca 0.00 0.74 0.05 0.00 0.48 0.00 0.00 55.95 57.22 1dm7 s SER 262 Cb 0.00 -1.07 -0.00 0.00 0.10 0.00 0.00 66.02 65.05 1dm7 s SER 262 CO 0.00 -4.13 -0.21 -0.69 0.98 0.00 0.00 173.24 169.19 1dm7 s VAL 263 N -2.92 1.77 -0.15 5.02 1.01 -1.26 0.98 120.40 124.84 1dm7 s VAL 263 Ca 0.70 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.73 1dm7 s VAL 263 Cb -0.12 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1dm7 s VAL 263 CO 0.57 0.50 0.09 -0.60 0.00 0.00 0.00 175.10 175.66 1dm7 s ARG 264 N 0.15 3.73 0.91 2.72 3.52 0.66 -4.89 118.95 125.75 1dm7 s ARG 264 Ca -0.10 -0.26 0.00 0.00 -0.13 0.00 0.00 55.73 55.24 1dm7 s ARG 264 Cb -0.15 -3.20 0.00 0.00 -1.56 0.00 0.00 34.95 30.05 1dm7 s ARG 264 CO 0.05 0.49 0.00 0.41 -0.81 0.00 0.00 175.30 175.44 1dm7 n GLY 265 N 2.87 0.93 3.44 8.12 0.00 -1.26 -0.44 105.19 118.84 1dm7 n GLY 265 Ca -0.18 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 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 5.97 0.61 1.61 3.68 -0.51 -4.68 116.67 119.34 1dm7 s ASP 266 Ca 0.00 -0.89 0.31 0.00 2.13 0.00 0.00 52.55 54.10 1dm7 s ASP 266 Cb 0.00 -2.11 1.77 0.00 -1.45 0.00 0.00 42.92 41.13 1dm7 s ASP 266 CO 0.00 -0.41 2.13 -0.65 0.13 0.00 0.00 175.17 176.37 1dm7 h PRO 267 N 8.55 0.00 0.00 4.34 0.11 -1.82 -1.94 132.00 141.24 1dm7 h PRO 267 Ca -0.27 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.79 1dm7 h PRO 267 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1dm7 h PRO 267 CO 0.70 0.00 -0.24 0.00 -0.21 0.00 0.00 178.00 178.25 1dm7 h ALA 268 N 1.76 1.35 -0.89 -0.75 0.00 -1.94 -3.16 119.26 115.63 1dm7 h ALA 268 Ca 0.06 -0.22 -0.52 0.00 0.00 0.00 0.00 54.91 54.23 1dm7 h ALA 268 Cb 0.42 -0.04 -0.28 0.00 0.00 0.00 0.00 17.79 17.89 1dm7 h ALA 268 CO -0.00 0.30 0.53 0.09 0.00 0.00 0.00 179.25 180.17 1dm7 n ASN 269 N -3.88 4.83 -0.03 0.00 3.02 -0.73 -4.64 115.26 113.83 1dm7 n ASN 269 Ca -0.02 -3.70 -0.15 0.00 -0.03 0.00 0.00 54.58 50.68 1dm7 n ASN 269 Cb 0.33 -0.82 -0.11 0.00 -0.61 0.00 0.00 39.78 38.57 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 1.07 1.50 0.46 2.41 2.07 -1.70 -2.34 116.25 119.71 1dm7 h VAL 270 Ca 0.55 -1.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 1dm7 h VAL 270 Cb 1.98 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 34.30 1dm7 h VAL 270 CO 1.13 0.48 -0.32 -0.08 0.02 0.00 0.00 177.57 178.81 1dm7 h GLU 271 N -0.42 -0.73 -0.09 1.57 4.81 -1.87 -1.30 114.58 116.55 1dm7 h GLU 271 Ca -0.02 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1dm7 h GLU 271 Cb 0.90 0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 1dm7 h GLU 271 CO 0.04 -0.48 0.06 0.97 -0.73 0.00 0.00 179.01 178.87 1dm7 h ILE 272 N -0.75 0.95 -0.24 2.32 6.09 -1.90 -0.42 117.51 123.56 1dm7 h ILE 272 Ca -0.05 0.00 -0.07 0.00 -1.37 0.00 0.00 64.86 63.37 1dm7 h ILE 272 Cb 0.63 0.96 -0.01 0.00 0.47 0.00 0.00 36.82 38.87 1dm7 h ILE 272 CO 0.02 0.00 -0.13 0.74 -3.07 0.00 0.00 178.15 175.71 1dm7 h THR 273 N 0.00 1.30 -0.47 2.19 2.02 -0.83 -2.14 112.91 114.98 1dm7 h THR 273 Ca 0.04 -1.22 -0.13 0.00 0.77 0.00 0.00 66.41 65.87 1dm7 h THR 273 Cb 0.17 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1dm7 h THR 273 CO -0.00 0.38 -0.21 -0.33 0.37 0.00 0.00 175.52 175.73 1dm7 h GLU 274 N 0.23 0.96 -0.58 6.66 5.08 -0.64 -2.59 114.58 123.70 1dm7 h GLU 274 Ca 0.05 -0.40 0.07 0.00 -1.00 0.00 0.00 59.36 58.08 1dm7 h GLU 274 Cb 0.64 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1dm7 h GLU 274 CO 0.04 1.07 0.39 -0.07 -1.00 0.00 0.00 179.01 179.43 1dm7 h LEU 275 N 0.83 0.45 -0.20 1.33 3.38 -0.98 0.19 115.31 120.31 1dm7 h LEU 275 Ca 0.11 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 1dm7 h LEU 275 Cb 0.77 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1dm7 h LEU 275 CO 0.06 0.29 -0.39 0.00 0.09 0.00 0.00 178.44 178.49 1dm7 h ILE 277 N 0.29 0.84 0.00 0.00 2.04 -0.81 0.25 117.51 120.12 1dm7 h ILE 277 Ca 0.01 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1dm7 h ILE 277 Cb 0.99 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1dm7 h ILE 277 CO 0.09 0.01 0.00 1.56 0.00 0.00 0.00 178.15 179.81 1dm7 h GLN 278 N 0.07 0.00 -0.44 2.37 4.20 -0.64 -0.97 115.11 119.70 1dm7 h GLN 278 Ca 0.10 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.68 1dm7 h GLN 278 Cb 0.13 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.83 1dm7 h GLN 278 CO -0.18 0.00 0.07 0.72 -0.67 0.00 0.00 178.83 178.77 1dm7 n HIS 279 N -2.32 1.45 -0.37 2.96 8.25 0.79 -4.95 115.22 121.03 1dm7 n HIS 279 Ca -0.01 -1.22 0.00 0.00 -0.26 0.00 0.00 57.72 56.22 1dm7 n HIS 279 Cb 0.05 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 30.67 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 -0.65 0.72 3.73 -1.41 0.00 -0.37 -4.79 105.19 102.42 1dm7 n GLY 280 Ca 0.31 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.54 3.71 -0.70 1.61 -0.00 -0.62 -4.96 118.94 115.44 1dm7 s TRP 281 Ca 0.00 1.70 -0.23 0.00 -0.00 0.00 0.00 56.10 57.57 1dm7 s TRP 281 Cb 0.00 -3.15 0.07 0.00 -0.00 0.00 0.00 33.47 30.38 1dm7 s TRP 281 CO 0.00 -0.16 1.04 0.99 -0.00 0.00 0.00 176.95 178.82 1dm7 s THR 282 N 0.03 4.23 0.61 5.86 2.01 -1.26 -4.36 115.64 122.76 1dm7 s THR 282 Ca 0.49 -0.31 -0.19 0.00 0.31 0.00 0.00 61.69 61.98 1dm7 s THR 282 Cb -0.26 -4.74 -0.03 0.00 0.01 0.00 0.00 72.50 67.49 1dm7 s THR 282 CO 0.31 -1.55 1.30 -2.16 -0.69 0.00 0.00 174.62 171.83 1dm7 s PRO 283 N 4.30 2.78 0.00 4.92 0.04 -1.26 -5.05 135.00 140.72 1dm7 s PRO 283 Ca 0.26 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1dm7 s PRO 283 Cb -0.14 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1dm7 s PRO 283 CO 0.09 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 176.12 1dm7 n GLY 284 N 0.79 1.86 1.52 0.56 0.00 -1.26 -5.08 105.19 103.58 1dm7 n GLY 284 Ca 0.14 -1.91 -0.04 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.56 -4.71 1.61 2.04 -1.26 -5.07 115.26 107.31 1dm7 n ASN 285 Ca 0.00 -2.04 -0.23 0.00 -0.44 0.00 0.00 54.58 51.87 1dm7 n ASN 285 Cb 0.00 0.21 0.11 0.00 -2.53 0.00 0.00 39.78 37.57 1dm7 n ASN 285 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 1dm7 s GLY 286 N -1.39 1.74 0.08 4.83 0.00 -1.26 -5.01 107.32 106.31 1dm7 s GLY 286 Ca 0.10 -1.93 0.22 0.00 0.00 0.00 0.00 44.72 43.11 1dm7 s GLY 286 CO -0.06 -1.33 0.88 -2.13 0.00 0.00 0.00 173.10 170.46 1dm7 n ARG 287 N -2.78 0.48 -3.01 2.90 0.63 -1.26 -4.37 116.66 109.25 1dm7 n ARG 287 Ca 0.17 -0.02 -0.19 0.00 -0.92 0.00 0.00 57.85 56.89 1dm7 n ARG 287 Cb 0.61 -1.65 -0.02 0.00 0.45 0.00 0.00 32.46 31.85 1dm7 n ARG 287 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1dm7 n PHE 288 N -2.26 1.42 -3.04 -0.14 3.01 -1.26 -4.13 117.46 111.05 1dm7 n PHE 288 Ca -0.00 -3.67 -0.41 0.00 1.01 0.00 0.00 57.45 54.38 1dm7 n PHE 288 Cb 0.51 -0.41 -0.06 0.00 -0.01 0.00 0.00 39.48 39.51 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 -2.84 6.65 -0.01 4.37 1.01 -1.26 -4.91 116.67 119.68 1dm7 s ASP 289 Ca 0.41 0.80 -0.30 0.00 0.71 0.00 0.00 52.55 54.17 1dm7 s ASP 289 Cb 0.35 -2.37 -0.05 0.00 1.01 0.00 0.00 42.92 41.86 1dm7 s ASP 289 CO -0.08 -0.41 1.45 -0.69 0.21 0.00 0.00 175.17 175.64 1dm7 s VAL 290 N 2.61 3.67 0.71 -1.27 1.01 -1.26 0.12 120.40 125.98 1dm7 s VAL 290 Ca 0.29 1.02 -0.11 0.00 0.00 0.00 0.00 61.98 63.17 1dm7 s VAL 290 Cb -0.15 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.59 1dm7 s VAL 290 CO 0.08 -0.02 1.07 -0.76 0.00 0.00 0.00 175.10 175.47 1dm7 s LEU 291 N 2.70 3.14 0.46 3.92 1.43 0.09 -4.89 118.68 125.54 1dm7 s LEU 291 Ca 0.65 1.70 -0.02 0.00 -1.03 0.00 0.00 54.13 55.44 1dm7 s LEU 291 Cb -0.32 -4.51 -0.01 0.00 0.03 0.00 0.00 46.19 41.38 1dm7 s LEU 291 CO 0.27 -1.59 0.71 -2.16 0.23 0.00 0.00 176.35 173.80 1dm7 s PRO 292 N -4.89 3.22 -0.08 1.29 0.04 -1.26 -4.72 135.00 128.60 1dm7 s PRO 292 Ca 0.60 -0.24 -0.13 0.00 0.04 0.00 0.00 61.00 61.27 1dm7 s PRO 292 Cb -0.15 -2.50 -0.05 0.00 0.04 0.00 0.00 34.50 31.84 1dm7 s PRO 292 CO 0.53 -0.24 0.32 -0.51 0.04 0.00 0.00 177.00 177.14 1dm7 s LEU 293 N -4.61 4.39 -0.46 -3.56 1.43 0.93 -4.90 118.68 111.90 1dm7 s LEU 293 Ca 0.47 0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 54.18 1dm7 s LEU 293 Cb -0.10 -2.41 0.09 0.00 0.03 0.00 0.00 46.19 43.80 1dm7 s LEU 293 CO 0.40 0.28 0.34 -0.76 0.23 0.00 0.00 176.35 176.84 1dm7 s LEU 294 N -0.60 5.50 -0.19 1.79 1.43 -1.26 -1.64 118.68 123.71 1dm7 s LEU 294 Ca 0.20 -1.55 -0.07 0.00 -1.03 0.00 0.00 54.13 51.68 1dm7 s LEU 294 Cb -0.15 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 1dm7 s LEU 294 CO 0.08 -0.63 0.05 -0.76 0.23 0.00 0.00 176.35 175.32 1dm7 s LEU 295 N 1.50 3.66 -0.24 1.79 1.43 -0.60 -1.50 118.68 124.72 1dm7 s LEU 295 Ca 0.04 0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.16 1dm7 s LEU 295 Cb -0.25 -1.93 0.05 0.00 0.03 0.00 0.00 46.19 44.09 1dm7 s LEU 295 CO 0.03 0.14 -0.12 -1.58 0.23 0.00 0.00 176.35 175.05 1dm7 s GLN 296 N 0.54 2.48 0.53 1.70 0.74 0.00 -0.60 119.66 125.06 1dm7 s GLN 296 Ca 0.02 -1.19 -0.07 0.00 0.05 0.00 0.00 55.36 54.18 1dm7 s GLN 296 Cb -0.13 -2.83 -0.03 0.00 1.10 0.00 0.00 33.01 31.12 1dm7 s GLN 296 CO 0.01 -0.47 0.87 0.00 -0.55 0.00 0.00 175.29 175.15 1dm7 s ALA 297 N 1.17 3.31 -0.19 1.58 0.00 -1.26 -1.17 121.76 125.19 1dm7 s ALA 297 Ca -0.05 -0.42 -0.40 0.00 0.00 0.00 0.00 51.96 51.09 1dm7 s ALA 297 Cb -0.18 -2.72 -0.17 0.00 0.00 0.00 0.00 23.12 20.05 1dm7 s ALA 297 CO -0.07 -0.51 1.54 -2.30 0.00 0.00 0.00 175.76 174.43 1dm7 n PRO 298 N -2.44 0.82 -3.31 0.00 -0.02 -1.25 -2.18 135.00 126.63 1dm7 n PRO 298 Ca 0.02 0.30 -0.24 0.00 -2.02 0.00 0.00 63.50 61.57 1dm7 n PRO 298 Cb 0.55 -1.92 0.04 0.00 -0.02 0.00 0.00 33.50 32.15 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 3.96 -5.69 -3.99 2.55 8.00 -1.26 -4.80 116.55 115.31 1dm7 n ASP 299 Ca 0.24 -0.42 -0.09 0.00 0.71 0.00 0.00 54.79 55.23 1dm7 n ASP 299 Cb 0.11 -4.57 -0.11 0.00 -0.02 0.00 0.00 41.12 36.52 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 -6.00 0.34 0.60 -1.24 2.02 -0.93 -5.06 118.70 108.44 1dm7 s GLU 300 Ca 0.43 -0.64 -0.18 0.00 0.02 0.00 0.00 54.97 54.60 1dm7 s GLU 300 Cb -0.20 0.08 -0.03 0.00 0.10 0.00 0.00 34.13 34.08 1dm7 s GLU 300 CO 0.53 -0.04 1.18 0.00 0.02 0.00 0.00 175.26 176.94 1dm7 s ALA 301 N -1.51 2.53 0.51 5.21 0.00 -1.26 -4.46 121.76 122.78 1dm7 s ALA 301 Ca -0.15 0.91 -0.21 0.00 0.00 0.00 0.00 51.96 52.51 1dm7 s ALA 301 Cb -0.10 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 1dm7 s ALA 301 CO -0.01 -1.15 1.20 -1.25 0.00 0.00 0.00 175.76 174.55 1dm7 s PRO 302 N -3.45 3.44 0.23 0.00 0.04 -1.26 -4.70 135.00 129.30 1dm7 s PRO 302 Ca 0.75 1.82 0.07 0.00 0.04 0.00 0.00 61.00 63.68 1dm7 s PRO 302 Cb -0.28 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 1dm7 s PRO 302 CO 0.33 -0.82 0.18 -1.21 0.04 0.00 0.00 177.00 175.52 1dm7 s GLU 303 N -2.96 2.91 -0.08 4.56 2.02 0.23 -4.87 118.70 120.50 1dm7 s GLU 303 Ca 0.69 -1.01 -0.04 0.00 0.02 0.00 0.00 54.97 54.63 1dm7 s GLU 303 Cb -0.30 -2.58 -0.04 0.00 0.10 0.00 0.00 34.13 31.32 1dm7 s GLU 303 CO 0.35 0.42 0.11 -1.17 0.02 0.00 0.00 175.26 174.99 1dm7 s LEU 304 N -3.63 4.15 -0.07 1.80 2.96 -1.26 -1.55 118.68 121.07 1dm7 s LEU 304 Ca 0.32 0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 54.53 1dm7 s LEU 304 Cb -0.08 -2.11 0.03 0.00 0.50 0.00 0.00 46.19 44.53 1dm7 s LEU 304 CO 0.24 0.37 0.17 -0.36 -1.32 0.00 0.00 176.35 175.45 1dm7 s PHE 305 N -1.06 -0.20 -0.21 5.38 0.40 -0.65 -4.99 117.98 116.65 1dm7 s PHE 305 Ca 0.17 0.53 -0.08 0.00 -0.60 0.00 0.00 56.93 56.95 1dm7 s PHE 305 Cb -0.12 -0.01 -0.04 0.00 0.51 0.00 0.00 43.02 43.36 1dm7 s PHE 305 CO 0.07 -0.16 0.09 0.08 0.70 0.00 0.00 175.22 176.01 1dm7 s VAL 306 N 0.87 4.87 0.02 -0.44 1.01 -1.26 -0.05 120.40 125.43 1dm7 s VAL 306 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 1dm7 s VAL 306 Cb -0.08 -3.24 -0.06 0.00 0.00 0.00 0.00 36.38 33.00 1dm7 s VAL 306 CO -0.05 0.40 1.36 -0.76 0.00 0.00 0.00 175.10 176.05 1dm7 s LEU 307 N 0.85 4.33 -0.39 3.92 1.43 -1.26 -4.91 118.68 122.64 1dm7 s LEU 307 Ca 0.05 2.12 -0.32 0.00 -1.03 0.00 0.00 54.13 54.95 1dm7 s LEU 307 Cb -0.13 -3.57 -0.10 0.00 0.03 0.00 0.00 46.19 42.42 1dm7 s LEU 307 CO 0.03 -0.67 2.28 -2.65 0.23 0.00 0.00 176.35 175.57 1dm7 n PRO 308 N 4.93 1.20 -0.28 1.29 -0.02 -1.26 -4.78 135.00 136.08 1dm7 n PRO 308 Ca 0.12 0.27 0.27 0.00 -2.02 0.00 0.00 63.50 62.15 1dm7 n PRO 308 Cb 0.44 -2.75 0.50 0.00 -0.02 0.00 0.00 33.50 31.67 1dm7 n PRO 308 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1dm7 n PRO 309 N 8.50 -0.05 0.27 0.52 -0.02 -1.26 0.15 135.00 143.12 1dm7 n PRO 309 Ca 0.40 1.14 0.13 0.00 -2.02 0.00 0.00 63.50 63.15 1dm7 n PRO 309 Cb 0.32 -2.07 0.77 0.00 -0.02 0.00 0.00 33.50 32.51 1dm7 n PRO 309 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1dm7 h GLU 310 N 0.00 0.00 0.01 -0.52 9.09 -2.03 -2.32 114.58 118.80 1dm7 h GLU 310 Ca 0.71 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.91 1dm7 h GLU 310 Cb 1.92 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 29.00 1dm7 h GLU 310 CO -0.62 0.09 -0.97 -0.07 0.05 0.00 0.00 179.01 177.49 1dm7 h LEU 311 N 0.00 0.06 -8.19 3.06 3.38 0.11 -3.42 115.31 110.32 1dm7 h LEU 311 Ca -0.00 -0.06 -0.61 0.00 0.09 0.00 0.00 57.88 57.29 1dm7 h LEU 311 Cb 0.24 -0.02 -0.12 0.00 0.09 0.00 0.00 40.66 40.85 1dm7 h LEU 311 CO 0.01 1.00 0.98 -0.69 0.09 0.00 0.00 178.44 179.83 1dm7 s VAL 312 N -2.84 4.14 -0.01 1.22 1.01 -0.88 -4.86 120.40 118.19 1dm7 s VAL 312 Ca -0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 1dm7 s VAL 312 Cb 0.10 -4.86 -0.04 0.00 0.00 0.00 0.00 36.38 31.58 1dm7 s VAL 312 CO 0.82 -1.70 1.21 -0.22 0.00 0.00 0.00 175.10 175.21 1dm7 s LEU 313 N 4.46 4.32 0.17 3.92 2.96 -1.26 -4.99 118.68 128.26 1dm7 s LEU 313 Ca 0.34 1.90 0.09 0.00 -0.22 0.00 0.00 54.13 56.23 1dm7 s LEU 313 Cb -0.08 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 1dm7 s LEU 313 CO 0.02 -0.54 -0.19 -1.61 -1.32 0.00 0.00 176.35 172.72 1dm7 s GLU 314 N 1.78 1.31 -0.20 1.98 2.02 -1.26 -1.41 118.70 122.92 1dm7 s GLU 314 Ca 0.57 -1.43 0.01 0.00 0.02 0.00 0.00 54.97 54.14 1dm7 s GLU 314 Cb -0.27 -1.38 0.04 0.00 0.10 0.00 0.00 34.13 32.62 1dm7 s GLU 314 CO 0.25 0.28 -0.13 0.08 0.02 0.00 0.00 175.26 175.76 1dm7 s VAL 315 N -2.04 1.80 0.35 2.63 1.01 0.64 -4.90 120.40 119.88 1dm7 s VAL 315 Ca 0.17 -1.03 -0.27 0.00 0.00 0.00 0.00 61.98 60.85 1dm7 s VAL 315 Cb -0.06 -1.79 -0.09 0.00 0.00 0.00 0.00 36.38 34.44 1dm7 s VAL 315 CO 0.07 0.26 1.12 -2.84 0.00 0.00 0.00 175.10 173.72 1dm7 s PRO 316 N 1.34 4.33 -0.17 2.72 0.02 -1.26 -2.05 135.00 139.92 1dm7 s PRO 316 Ca -0.00 1.77 -0.13 0.00 0.02 0.00 0.00 61.00 62.66 1dm7 s PRO 316 Cb -0.16 -2.87 -0.05 0.00 0.02 0.00 0.00 34.50 31.45 1dm7 s PRO 316 CO -0.09 -0.06 0.24 -0.51 -0.33 0.00 0.00 177.00 176.25 1dm7 s LEU 317 N -2.08 4.23 0.10 -5.54 1.43 0.36 -4.87 118.68 112.31 1dm7 s LEU 317 Ca 0.52 0.42 0.02 0.00 -1.03 0.00 0.00 54.13 54.06 1dm7 s LEU 317 Cb -0.30 -2.29 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 1dm7 s LEU 317 CO 0.38 0.12 -0.07 -1.83 0.23 0.00 0.00 176.35 175.18 1dm7 s GLU 318 N 0.45 0.82 0.03 1.70 -1.05 -1.26 -4.12 118.70 115.26 1dm7 s GLU 318 Ca 0.14 -1.29 -0.00 0.00 -0.15 0.00 0.00 54.97 53.67 1dm7 s GLU 318 Cb -0.12 -0.24 -0.04 0.00 -0.44 0.00 0.00 34.13 33.29 1dm7 s GLU 318 CO 0.02 -0.01 0.15 -1.58 0.95 0.00 0.00 175.26 174.79 1dm7 s HIS 319 N -3.40 3.41 0.48 4.83 5.65 -1.26 -4.35 115.29 120.65 1dm7 s HIS 319 Ca 0.10 0.24 0.17 0.00 0.25 0.00 0.00 55.06 55.82 1dm7 s HIS 319 Cb 0.04 -1.75 1.18 0.00 -1.18 0.00 0.00 32.58 30.86 1dm7 s HIS 319 CO -0.04 0.59 2.06 -1.00 -0.65 0.00 0.00 174.74 175.70 1dm7 h PRO 320 N 3.59 0.00 0.00 2.88 0.13 -1.91 -3.36 132.00 133.33 1dm7 h PRO 320 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1dm7 h PRO 320 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1dm7 h PRO 320 CO 0.69 0.11 -0.26 0.25 -0.23 0.00 0.00 178.00 178.56 1dm7 n THR 321 N -4.30 0.00 -3.04 1.56 -2.24 -1.26 -4.95 114.28 100.05 1dm7 n THR 321 Ca -0.03 -0.09 -0.44 0.00 -2.27 0.00 0.00 64.05 61.22 1dm7 n THR 321 Cb 0.19 0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 68.92 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 -1.14 5.23 0.55 3.22 1.43 -1.26 -4.90 118.68 121.82 1dm7 s LEU 322 Ca 0.00 -1.59 0.24 0.00 -1.03 0.00 0.00 54.13 51.75 1dm7 s LEU 322 Cb 0.00 -2.34 1.48 0.00 0.03 0.00 0.00 46.19 45.36 1dm7 s LEU 322 CO 0.00 -1.12 2.08 -0.33 0.23 0.00 0.00 176.35 177.21 1dm7 h GLU 323 N 9.06 0.00 0.00 1.70 5.08 -1.92 -2.28 114.58 126.22 1dm7 h GLU 323 Ca -0.16 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1dm7 h GLU 323 Cb 1.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 1dm7 h GLU 323 CO 1.09 0.00 -0.01 0.11 -1.00 0.00 0.00 179.01 179.20 1dm7 h TRP 324 N 0.00 0.00 -0.85 4.33 5.08 -1.96 -3.32 115.95 119.23 1dm7 h TRP 324 Ca 0.12 0.00 0.07 0.00 1.08 0.00 0.00 58.89 60.16 1dm7 h TRP 324 Cb 0.53 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.63 1dm7 h TRP 324 CO 0.00 0.01 0.52 0.35 -1.28 0.00 0.00 178.44 178.04 1dm7 h PHE 325 N 0.00 0.96 -0.02 0.12 3.57 -1.79 -0.24 116.94 119.54 1dm7 h PHE 325 Ca -0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1dm7 h PHE 325 Cb 0.93 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.36 1dm7 h PHE 325 CO 0.00 0.47 0.02 0.00 -2.23 0.00 0.00 178.31 176.57 1dm7 h ALA 326 N 1.42 1.84 0.00 2.41 0.00 -1.72 -0.72 119.26 122.49 1dm7 h ALA 326 Ca 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1dm7 h ALA 326 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1dm7 h ALA 326 CO -0.19 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.03 1dm7 h ALA 327 N 1.98 1.00 0.00 0.00 0.00 -1.24 -2.96 119.26 118.04 1dm7 h ALA 327 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1dm7 h ALA 327 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1dm7 h ALA 327 CO -0.00 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.18 1dm7 h LEU 328 N 0.00 0.00 1.73 0.00 4.07 -1.12 -3.46 115.31 116.53 1dm7 h LEU 328 Ca 0.00 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.64 1dm7 h LEU 328 Cb 0.45 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.14 1dm7 h LEU 328 CO 0.00 0.00 -0.36 0.61 -1.08 0.00 0.00 178.44 177.61 1dm7 n GLY 329 N -0.41 0.36 3.84 0.83 0.00 -1.12 -4.99 105.19 103.69 1dm7 n GLY 329 Ca 0.01 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 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 -4.18 4.10 0.27 0.99 1.43 -1.26 -4.98 118.68 115.05 1dm7 s LEU 330 Ca 0.00 1.36 -0.19 0.00 -1.03 0.00 0.00 54.13 54.26 1dm7 s LEU 330 Cb 0.00 -4.04 0.02 0.00 0.03 0.00 0.00 46.19 42.19 1dm7 s LEU 330 CO 0.00 -0.18 0.66 0.00 0.23 0.00 0.00 176.35 177.06 1dm7 s ARG 331 N -2.81 1.72 -0.01 1.70 1.70 -1.26 -0.49 118.95 119.50 1dm7 s ARG 331 Ca 0.53 -1.02 -0.21 0.00 -0.47 0.00 0.00 55.73 54.55 1dm7 s ARG 331 Cb -0.11 0.58 0.04 0.00 -0.57 0.00 0.00 34.95 34.89 1dm7 s ARG 331 CO 0.18 -0.77 0.47 -0.46 -1.08 0.00 0.00 175.30 173.63 1dm7 s TRP 332 N -3.93 -0.37 0.44 5.89 -0.11 -0.87 -4.95 118.94 115.03 1dm7 s TRP 332 Ca 0.13 0.55 -0.20 0.00 1.22 0.00 0.00 56.10 57.80 1dm7 s TRP 332 Cb -0.05 0.24 -0.10 0.00 -1.50 0.00 0.00 33.47 32.06 1dm7 s TRP 332 CO 0.07 -0.52 0.94 1.52 -4.62 0.00 0.00 176.95 174.34 1dm7 s TYR 333 N -1.61 3.34 -0.23 5.86 -0.85 -1.26 -0.26 117.35 122.34 1dm7 s TYR 333 Ca -0.10 1.56 0.18 0.00 -0.52 0.00 0.00 57.07 58.18 1dm7 s TYR 333 Cb -0.02 -2.82 0.10 0.00 0.38 0.00 0.00 41.96 39.60 1dm7 s TYR 333 CO 0.04 -0.15 1.39 0.00 -1.52 0.00 0.00 175.55 175.32 1dm7 h ALA 334 N 1.74 0.74 -2.50 9.51 0.00 -1.58 -3.45 119.26 123.72 1dm7 h ALA 334 Ca -0.49 -0.36 -0.72 0.00 0.00 0.00 0.00 54.91 53.34 1dm7 h ALA 334 Cb 1.18 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.74 1dm7 h ALA 334 CO 0.61 0.46 -0.42 -1.17 0.00 0.00 0.00 179.25 178.74 1dm7 s LEU 335 N -6.25 5.19 -0.43 0.00 2.96 -1.26 -4.52 118.68 114.36 1dm7 s LEU 335 Ca 0.04 -1.02 -0.23 0.00 -0.22 0.00 0.00 54.13 52.70 1dm7 s LEU 335 Cb 0.07 -2.15 0.02 0.00 0.50 0.00 0.00 46.19 44.64 1dm7 s LEU 335 CO 0.74 -0.49 0.76 -2.16 -1.32 0.00 0.00 176.35 173.88 1dm7 s PRO 336 N 1.65 3.45 -0.40 0.98 0.04 -1.26 -4.74 135.00 134.72 1dm7 s PRO 336 Ca 0.04 -0.08 0.01 0.00 0.04 0.00 0.00 61.00 61.02 1dm7 s PRO 336 Cb -0.20 -3.92 0.13 0.00 0.04 0.00 0.00 34.50 30.55 1dm7 s PRO 336 CO 0.09 -1.05 0.19 0.00 0.04 0.00 0.00 177.00 176.27 1dm7 s ALA 337 N 3.17 1.94 0.18 8.56 0.00 -1.26 -3.16 121.76 131.20 1dm7 s ALA 337 Ca 0.29 -2.32 -0.32 0.00 0.00 0.00 0.00 51.96 49.61 1dm7 s ALA 337 Cb -0.13 -1.81 -0.11 0.00 0.00 0.00 0.00 23.12 21.08 1dm7 s ALA 337 CO 0.21 -1.96 1.63 0.08 0.00 0.00 0.00 175.76 175.72 1dm7 s VAL 338 N 0.74 2.40 0.00 0.00 1.01 -0.65 -1.58 120.40 122.32 1dm7 s VAL 338 Ca 0.15 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1dm7 s VAL 338 Cb -0.22 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1dm7 s VAL 338 CO -0.06 0.02 0.64 -1.54 0.00 0.00 0.00 175.10 174.16 1dm7 n SER 339 N 3.98 0.99 -0.26 3.32 3.41 0.94 -1.64 113.62 124.36 1dm7 n SER 339 Ca 0.15 -1.41 0.03 0.00 -0.26 0.00 0.00 58.87 57.38 1dm7 n SER 339 Cb 0.37 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.36 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 -0.20 1.67 -4.88 4.04 2.04 -1.20 -4.47 115.26 112.26 1dm7 n ASN 340 Ca 0.00 -1.38 -0.29 0.00 -0.44 0.00 0.00 54.58 52.47 1dm7 n ASN 340 Cb 0.28 -0.02 -0.02 0.00 -2.53 0.00 0.00 39.78 37.49 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 -0.59 3.69 -0.20 -3.83 -1.94 -1.26 -4.40 119.30 110.77 1dm7 s MET 341 Ca 0.08 0.41 -0.10 0.00 -1.71 0.00 0.00 55.69 54.37 1dm7 s MET 341 Cb 0.05 -2.36 -0.05 0.00 2.01 0.00 0.00 34.83 34.48 1dm7 s MET 341 CO 0.08 -0.13 0.13 -1.17 -0.01 0.00 0.00 175.02 173.91 1dm7 s LEU 342 N -4.23 4.16 -0.30 -0.03 0.20 0.17 -4.47 118.68 114.18 1dm7 s LEU 342 Ca 0.50 0.20 -0.16 0.00 0.69 0.00 0.00 54.13 55.36 1dm7 s LEU 342 Cb -0.10 -2.08 -0.02 0.00 -0.43 0.00 0.00 46.19 43.55 1dm7 s LEU 342 CO 0.37 0.16 0.43 -0.22 -0.29 0.00 0.00 176.35 176.80 1dm7 s LEU 343 N 0.45 4.19 -0.15 -0.68 2.96 -0.77 -0.07 118.68 124.62 1dm7 s LEU 343 Ca 0.07 0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 54.12 1dm7 s LEU 343 Cb -0.11 -2.49 -0.01 0.00 0.50 0.00 0.00 46.19 44.08 1dm7 s LEU 343 CO -0.01 -0.30 -0.12 -0.70 -1.32 0.00 0.00 176.35 173.90 1dm7 s GLU 344 N 2.18 3.35 -0.05 1.98 -6.30 0.40 -0.34 118.70 119.92 1dm7 s GLU 344 Ca 0.16 -0.69 0.00 0.00 -2.50 0.00 0.00 54.97 51.95 1dm7 s GLU 344 Cb -0.16 -2.70 0.02 0.00 0.00 0.00 0.00 34.13 31.29 1dm7 s GLU 344 CO 0.11 0.09 -0.02 0.42 0.02 0.00 0.00 175.26 175.88 1dm7 s ILE 345 N 0.67 0.41 -0.57 -3.70 1.01 -0.67 -1.15 121.20 117.20 1dm7 s ILE 345 Ca -0.06 -0.00 -0.03 0.00 0.00 0.00 0.00 60.65 60.55 1dm7 s ILE 345 Cb -0.15 -0.49 0.03 0.00 0.01 0.00 0.00 42.46 41.86 1dm7 s ILE 345 CO 0.02 0.22 0.11 0.61 0.00 0.00 0.00 174.94 175.90 1dm7 n GLY 346 N 4.38 -0.49 0.25 6.18 0.00 -1.26 -0.04 105.19 114.20 1dm7 n GLY 346 Ca -0.20 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.70 2.98 3.77 -0.02 0.00 -1.26 -2.94 105.19 107.01 1dm7 n GLY 347 Ca -0.03 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 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 4.43 -0.21 0.99 1.43 0.94 -5.01 118.68 121.25 1dm7 s LEU 348 Ca 0.00 2.65 -0.02 0.00 -1.03 0.00 0.00 54.13 55.73 1dm7 s LEU 348 Cb 0.00 -3.64 0.01 0.00 0.03 0.00 0.00 46.19 42.58 1dm7 s LEU 348 CO 0.00 -0.52 -0.09 -1.61 0.23 0.00 0.00 176.35 174.35 1dm7 s GLU 349 N -1.62 3.17 -0.74 1.70 2.02 -1.26 -1.66 118.70 120.31 1dm7 s GLU 349 Ca 0.50 -0.74 -0.13 0.00 0.02 0.00 0.00 54.97 54.61 1dm7 s GLU 349 Cb -0.39 -2.87 0.19 0.00 0.10 0.00 0.00 34.13 31.16 1dm7 s GLU 349 CO 0.51 -0.23 0.67 -0.06 0.02 0.00 0.00 175.26 176.16 1dm7 s PHE 350 N 1.40 3.62 0.48 1.61 0.08 0.53 -0.63 117.98 125.07 1dm7 s PHE 350 Ca 0.05 -1.95 0.35 0.00 0.12 0.00 0.00 56.93 55.50 1dm7 s PHE 350 Cb -0.14 -3.73 1.84 0.00 -0.57 0.00 0.00 43.02 40.41 1dm7 s PHE 350 CO -0.06 -0.98 2.19 0.66 -0.10 0.00 0.00 175.22 176.93 1dm7 h SER 351 N 7.92 0.00 -3.29 1.36 4.64 -1.82 -2.04 113.55 120.33 1dm7 h SER 351 Ca 0.01 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 1dm7 h SER 351 Cb 1.04 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.76 1dm7 h SER 351 CO 0.80 0.04 -0.80 0.00 -0.87 0.00 0.00 176.83 176.01 1dm7 s ALA 352 N -4.16 1.49 -0.43 5.18 0.00 -1.19 -4.69 121.76 117.96 1dm7 s ALA 352 Ca -0.03 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.18 1dm7 s ALA 352 Cb 0.13 -1.08 0.29 0.00 0.00 0.00 0.00 23.12 22.46 1dm7 s ALA 352 CO 0.51 -0.69 1.12 0.00 0.00 0.00 0.00 175.76 176.71 1dm7 n ALA 353 N 4.88 -1.73 -1.71 0.00 0.00 -1.26 -2.32 120.51 118.36 1dm7 n ALA 353 Ca -0.12 -1.11 -0.43 0.00 0.00 0.00 0.00 53.44 51.77 1dm7 n ALA 353 Cb 0.48 -1.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.09 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 0.89 2.38 -4.26 0.00 -0.04 -1.21 -4.65 135.00 128.11 1dm7 n PRO 354 Ca 0.04 0.85 -0.18 0.00 -0.04 0.00 0.00 63.50 64.17 1dm7 n PRO 354 Cb 0.69 -2.56 -0.11 0.00 -0.04 0.00 0.00 33.50 31.48 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 -0.10 1.45 0.01 0.54 -0.12 -0.65 -1.58 117.98 117.52 1dm7 s PHE 355 Ca 0.65 -0.56 -0.14 0.00 -0.05 0.00 0.00 56.93 56.83 1dm7 s PHE 355 Cb -0.57 -0.75 0.02 0.00 -0.63 0.00 0.00 43.02 41.10 1dm7 s PHE 355 CO 0.50 0.17 0.31 -1.54 -0.05 0.00 0.00 175.22 174.61 1dm7 s SER 356 N -2.55 -0.16 0.00 1.98 1.04 0.02 -1.63 113.70 112.38 1dm7 s SER 356 Ca 0.11 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1dm7 s SER 356 Cb -0.04 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1dm7 s SER 356 CO 0.03 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.36 1dm7 n GLY 357 N 1.02 4.23 3.06 7.32 0.00 -1.19 -1.32 105.19 118.31 1dm7 n GLY 357 Ca -0.21 -0.53 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 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 3.72 0.07 0.73 1.61 -2.14 -1.26 -4.50 118.94 117.17 1dm7 s TRP 358 Ca 0.00 -0.17 -0.15 0.00 2.66 0.00 0.00 56.10 58.44 1dm7 s TRP 358 Cb 0.00 -0.07 0.04 0.00 -3.10 0.00 0.00 33.47 30.34 1dm7 s TRP 358 CO 0.00 -0.24 1.21 0.71 -2.66 0.00 0.00 176.95 175.97 1dm7 s TYR 359 N -1.22 2.03 -0.19 1.66 2.02 -1.26 -4.89 117.35 115.50 1dm7 s TYR 359 Ca -0.13 1.60 -0.04 0.00 -0.37 0.00 0.00 57.07 58.13 1dm7 s TYR 359 Cb -0.07 -3.49 -0.02 0.00 -0.40 0.00 0.00 41.96 37.98 1dm7 s TYR 359 CO 0.01 -2.65 -0.04 1.41 -1.57 0.00 0.00 175.55 172.71 1dm7 s MET 360 N -3.90 3.54 0.34 -0.62 -2.45 -1.26 -2.01 119.30 112.94 1dm7 s MET 360 Ca 0.75 -0.57 0.15 0.00 -1.25 0.00 0.00 55.69 54.77 1dm7 s MET 360 Cb -0.30 -2.97 1.14 0.00 1.25 0.00 0.00 34.83 33.96 1dm7 s MET 360 CO 0.45 0.04 1.50 -1.13 1.05 0.00 0.00 175.02 176.93 1dm7 n SER 361 N 4.12 0.22 0.24 1.11 3.41 -0.07 -0.66 113.62 121.99 1dm7 n SER 361 Ca -0.18 1.59 0.09 0.00 -0.26 0.00 0.00 58.87 60.11 1dm7 n SER 361 Cb 0.52 -0.72 0.61 0.00 -0.26 0.00 0.00 64.21 64.36 1dm7 n SER 361 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1dm7 h THR 362 N 0.00 0.86 -0.54 6.66 1.35 -1.94 0.18 112.91 119.48 1dm7 h THR 362 Ca 0.75 -0.60 0.05 0.00 -0.55 0.00 0.00 66.41 66.06 1dm7 h THR 362 Cb 1.89 1.35 -0.05 0.00 -1.73 0.00 0.00 68.15 69.61 1dm7 h THR 362 CO -0.77 0.16 0.26 -0.33 -0.25 0.00 0.00 175.52 174.58 1dm7 h GLU 363 N 0.00 0.48 0.00 4.72 5.08 -1.30 0.15 114.58 123.71 1dm7 h GLU 363 Ca -0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1dm7 h GLU 363 Cb 0.34 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1dm7 h GLU 363 CO 0.02 0.32 -0.21 0.82 -1.00 0.00 0.00 179.01 178.96 1dm7 h ILE 364 N 0.50 0.44 -0.55 3.13 2.04 -1.60 -0.91 117.51 120.56 1dm7 h ILE 364 Ca 0.24 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.73 1dm7 h ILE 364 Cb 0.18 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1dm7 h ILE 364 CO -0.18 0.15 0.36 1.23 0.00 0.00 0.00 178.15 179.71 1dm7 h GLY 365 N -1.00 0.78 0.00 5.37 0.00 -0.66 -1.24 103.07 106.31 1dm7 h GLY 365 Ca -0.03 -0.29 -0.31 0.00 0.00 0.00 0.00 47.33 46.69 1dm7 h GLY 365 CO -0.02 0.29 -2.07 2.41 0.00 0.00 0.00 176.54 177.15 1dm7 n THR 366 N -4.45 1.06 -0.05 4.70 -1.04 0.46 -4.29 114.28 110.66 1dm7 n THR 366 Ca 0.05 -0.30 -0.03 0.00 -2.04 0.00 0.00 64.05 61.74 1dm7 n THR 366 Cb 0.05 -1.63 -0.03 0.00 -1.82 0.00 0.00 70.33 66.90 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 -0.55 0.00 -0.35 -2.82 2.47 -1.42 -2.65 114.38 109.06 1dm7 h ARG 367 Ca -0.47 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.24 1dm7 h ARG 367 Cb 1.47 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.77 1dm7 h ARG 367 CO -0.25 0.19 0.19 -0.91 0.56 0.00 0.00 179.97 179.75 1dm7 h ASN 368 N -1.00 0.44 0.82 7.04 2.35 -1.13 -1.53 115.58 122.57 1dm7 h ASN 368 Ca -0.00 -0.10 -0.13 0.00 -0.55 0.00 0.00 56.30 55.53 1dm7 h ASN 368 Cb 0.20 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1dm7 h ASN 368 CO -0.00 0.41 -1.26 -0.07 -1.65 0.00 0.00 177.43 174.86 1dm7 h LEU 369 N 0.44 0.00 0.00 1.61 3.38 -1.43 -2.99 115.31 116.32 1dm7 h LEU 369 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1dm7 h LEU 369 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1dm7 h LEU 369 CO -0.02 0.44 -0.49 0.00 0.09 0.00 0.00 178.44 178.46 1dm7 n ASP 371 N -1.25 2.36 -0.04 0.00 10.43 -0.58 -4.50 116.55 122.97 1dm7 n ASP 371 Ca 0.01 0.99 0.05 0.00 2.57 0.00 0.00 54.79 58.41 1dm7 n ASP 371 Cb 0.14 -1.53 0.42 0.00 1.84 0.00 0.00 41.12 41.99 1dm7 n ASP 371 CO 0.00 0.00 0.00 -0.65 -1.07 0.00 0.00 177.20 175.48 1dm7 h PRO 372 N 1.48 0.57 -0.65 -0.24 0.11 -1.95 -1.97 132.00 129.35 1dm7 h PRO 372 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1dm7 h PRO 372 Cb 1.31 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1dm7 h PRO 372 CO 0.57 0.38 0.00 -2.39 -0.21 0.00 0.00 178.00 176.34 1dm7 n HIS 373 N -4.47 1.43 0.00 0.65 1.44 -1.26 -4.65 115.22 108.36 1dm7 n HIS 373 Ca 0.05 -0.52 0.00 0.00 -2.01 0.00 0.00 57.72 55.24 1dm7 n HIS 373 Cb 0.10 -0.33 0.00 0.00 0.12 0.00 0.00 29.99 29.89 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 0.64 2.03 0.27 -1.40 5.12 -0.76 -4.27 116.66 118.30 1dm7 n ARG 374 Ca 0.21 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 56.27 1dm7 n ARG 374 Cb 0.88 0.00 0.79 0.00 -1.16 0.00 0.00 32.46 32.97 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 -6.62 -1.55 -1.99 -1.70 -3.42 116.97 101.69 1dm7 h TYR 375 Ca 0.00 0.00 -0.52 0.00 2.00 0.00 0.00 58.73 60.21 1dm7 h TYR 375 Cb 0.00 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.71 1dm7 h TYR 375 CO 0.00 0.08 -0.95 -1.71 -0.00 0.00 0.00 178.16 175.58 1dm7 n ASN 376 N -3.71 -2.61 -0.44 3.88 4.05 -0.95 -4.87 115.26 110.61 1dm7 n ASN 376 Ca -0.02 -1.13 0.13 0.00 0.45 0.00 0.00 54.58 54.01 1dm7 n ASN 376 Cb 0.18 -2.57 0.41 0.00 1.23 0.00 0.00 39.78 39.04 1dm7 n ASN 376 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 1dm7 n ILE 377 N -4.54 0.00 -0.18 -1.44 -5.35 -0.22 -4.53 119.36 103.10 1dm7 n ILE 377 Ca -0.20 -0.23 -0.09 0.00 -0.27 0.00 0.00 62.75 61.96 1dm7 n ILE 377 Cb 0.63 0.58 -0.04 0.00 -1.74 0.00 0.00 39.64 39.07 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 2.17 -1.47 -0.59 7.28 5.85 -1.86 -1.60 115.31 125.08 1dm7 h LEU 378 Ca 0.00 0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.98 1dm7 h LEU 378 Cb 0.56 0.66 -0.04 0.00 0.37 0.00 0.00 40.66 42.21 1dm7 h LEU 378 CO 0.00 -0.35 0.37 -0.08 -0.34 0.00 0.00 178.44 178.04 1dm7 h GLU 379 N -0.26 0.71 -0.81 1.25 4.81 -1.98 -0.95 114.58 117.36 1dm7 h GLU 379 Ca 0.16 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1dm7 h GLU 379 Cb 0.57 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 1dm7 h GLU 379 CO -0.65 0.47 0.51 -0.44 -0.73 0.00 0.00 179.01 178.18 1dm7 h ASP 380 N 0.74 0.96 -0.36 1.04 3.32 -1.71 0.09 116.42 120.50 1dm7 h ASP 380 Ca 0.23 -0.05 -0.16 0.00 0.02 0.00 0.00 57.03 57.07 1dm7 h ASP 380 Cb -0.02 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 1dm7 h ASP 380 CO -0.08 0.73 -0.41 0.58 -1.72 0.00 0.00 179.24 178.33 1dm7 h VAL 381 N 1.11 1.27 -0.37 -1.35 2.07 -1.02 -2.20 116.25 115.77 1dm7 h VAL 381 Ca 0.29 -1.59 -0.08 0.00 0.82 0.00 0.00 66.70 66.15 1dm7 h VAL 381 Cb -0.08 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1dm7 h VAL 381 CO -0.06 0.53 -0.09 0.00 0.02 0.00 0.00 177.57 177.97 1dm7 h ALA 382 N 0.74 1.16 -0.50 1.67 0.00 -0.86 -0.03 119.26 121.44 1dm7 h ALA 382 Ca 0.05 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1dm7 h ALA 382 Cb 1.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1dm7 h ALA 382 CO 0.10 0.54 0.08 0.28 0.00 0.00 0.00 179.25 180.24 1dm7 h VAL 383 N 0.58 1.25 0.00 0.00 2.07 -0.88 0.08 116.25 119.34 1dm7 h VAL 383 Ca 0.11 -0.95 -0.06 0.00 0.82 0.00 0.00 66.70 66.62 1dm7 h VAL 383 Cb 0.50 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1dm7 h VAL 383 CO 0.03 0.34 -0.28 0.00 0.02 0.00 0.00 177.57 177.68 1dm7 n MET 385 N -4.15 0.63 -3.29 0.00 2.81 -0.08 -4.92 117.12 108.13 1dm7 n MET 385 Ca -0.02 -0.13 -0.17 0.00 -1.81 0.00 0.00 57.70 55.57 1dm7 n MET 385 Cb 0.33 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.42 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 -1.07 -3.59 -4.92 7.83 2.03 -0.13 -5.01 116.55 111.69 1dm7 n ASP 386 Ca 0.15 -0.49 -0.28 0.00 0.52 0.00 0.00 54.79 54.69 1dm7 n ASP 386 Cb 0.25 -4.35 -0.03 0.00 -0.72 0.00 0.00 41.12 36.27 1dm7 n ASP 386 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1dm7 s LEU 387 N -5.92 4.16 -0.90 -2.67 1.43 -0.09 -5.02 118.68 109.67 1dm7 s LEU 387 Ca 0.21 0.54 -0.25 0.00 -1.03 0.00 0.00 54.13 53.61 1dm7 s LEU 387 Cb -0.09 -3.33 0.04 0.00 0.03 0.00 0.00 46.19 42.84 1dm7 s LEU 387 CO 0.61 -0.10 1.39 -0.62 0.23 0.00 0.00 176.35 177.86 1dm7 s ASP 388 N -3.12 6.32 -0.06 2.29 2.15 -1.26 -4.72 116.67 118.27 1dm7 s ASP 388 Ca 0.41 -0.99 0.05 0.00 0.43 0.00 0.00 52.55 52.44 1dm7 s ASP 388 Cb -0.11 -2.57 0.25 0.00 -0.30 0.00 0.00 42.92 40.20 1dm7 s ASP 388 CO 0.29 -1.68 0.96 0.35 -0.17 0.00 0.00 175.17 174.92 1dm7 n THR 389 N 6.69 0.76 0.31 1.71 -2.24 -1.26 -3.77 114.28 116.48 1dm7 n THR 389 Ca 0.20 -0.42 0.08 0.00 -2.27 0.00 0.00 64.05 61.64 1dm7 n THR 389 Cb 0.50 -0.30 0.12 0.00 -2.10 0.00 0.00 70.33 68.56 1dm7 n THR 389 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1dm7 n ARG 390 N 0.20 1.82 -3.71 -0.78 1.74 -1.26 -4.91 116.66 109.75 1dm7 n ARG 390 Ca 0.09 -1.77 -0.14 0.00 -0.77 0.00 0.00 57.85 55.26 1dm7 n ARG 390 Cb 0.48 -1.33 -0.14 0.00 -1.02 0.00 0.00 32.46 30.44 1dm7 n ARG 390 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1dm7 s THR 391 N -1.20 -0.14 0.25 0.55 -1.32 -1.25 -5.04 115.64 107.51 1dm7 s THR 391 Ca 0.24 0.23 -0.05 0.00 -1.21 0.00 0.00 61.69 60.91 1dm7 s THR 391 Cb 0.15 -0.29 0.25 0.00 -1.51 0.00 0.00 72.50 71.10 1dm7 s THR 391 CO 0.21 0.10 1.90 0.71 -2.21 0.00 0.00 174.62 175.32 1dm7 h THR 392 N 6.14 1.16 0.00 5.08 1.35 -1.91 -2.94 112.91 121.80 1dm7 h THR 392 Ca -0.32 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 1dm7 h THR 392 Cb 1.13 -0.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 1dm7 h THR 392 CO 0.31 0.22 0.00 -1.54 -0.25 0.00 0.00 175.52 174.27 1dm7 n SER 393 N -4.47 0.00 -0.24 5.36 3.41 -1.26 -1.36 113.62 115.07 1dm7 n SER 393 Ca 0.13 0.08 0.13 0.00 -0.26 0.00 0.00 58.87 58.95 1dm7 n SER 393 Cb 0.10 -0.15 0.45 0.00 -0.26 0.00 0.00 64.21 64.35 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 -1.15 0.93 -4.00 4.04 3.41 -1.11 -4.92 113.62 110.81 1dm7 n SER 394 Ca 0.02 -0.87 -0.32 0.00 -0.26 0.00 0.00 58.87 57.44 1dm7 n SER 394 Cb 0.02 0.07 0.01 0.00 -0.26 0.00 0.00 64.21 64.05 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 -0.65 -2.30 0.04 1.04 4.77 -0.47 -4.85 117.00 114.58 1dm7 n LEU 395 Ca 0.13 -0.86 -0.02 0.00 -0.03 0.00 0.00 56.01 55.24 1dm7 n LEU 395 Cb 0.33 -2.41 0.25 0.00 -2.33 0.00 0.00 43.42 39.27 1dm7 n LEU 395 CO 0.24 0.41 0.78 4.11 -1.33 0.00 0.00 177.39 181.60 1dm7 h TRP 396 N -1.89 0.45 -0.27 -1.77 5.08 -1.84 -1.54 115.95 114.18 1dm7 h TRP 396 Ca -0.59 -0.08 -0.04 0.00 1.08 0.00 0.00 58.89 59.26 1dm7 h TRP 396 Cb 1.38 -0.12 -0.01 0.00 -3.00 0.00 0.00 29.16 27.41 1dm7 h TRP 396 CO 0.58 0.60 0.01 0.87 -1.28 0.00 0.00 178.44 179.23 1dm7 h LYS 397 N 0.37 0.46 -0.59 0.12 1.57 -1.90 -2.17 116.57 114.43 1dm7 h LYS 397 Ca 0.06 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1dm7 h LYS 397 Cb 0.59 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 1dm7 h LYS 397 CO 0.04 0.61 0.39 -0.44 -0.57 0.00 0.00 179.45 179.48 1dm7 h ASP 398 N 0.25 0.67 -0.34 0.86 5.19 -1.87 -1.22 116.42 119.97 1dm7 h ASP 398 Ca 0.08 -0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.44 1dm7 h ASP 398 Cb 0.40 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.72 1dm7 h ASP 398 CO 0.01 0.49 0.09 0.11 -3.12 0.00 0.00 179.24 176.82 1dm7 h LYS 399 N 0.80 0.53 -0.21 3.56 1.57 -1.25 -2.46 116.57 119.10 1dm7 h LYS 399 Ca 0.21 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 1dm7 h LYS 399 Cb -0.09 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1dm7 h LYS 399 CO -0.05 0.58 -0.33 0.00 -0.57 0.00 0.00 179.45 179.09 1dm7 h ALA 400 N 0.93 1.04 -0.60 3.86 0.00 -1.22 -2.81 119.26 120.46 1dm7 h ALA 400 Ca 0.11 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 1dm7 h ALA 400 Cb 0.28 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1dm7 h ALA 400 CO -0.00 0.59 0.03 0.00 0.00 0.00 0.00 179.25 179.87 1dm7 h ALA 401 N 1.27 0.94 0.66 0.00 0.00 -1.13 -1.20 119.26 119.81 1dm7 h ALA 401 Ca 0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1dm7 h ALA 401 Cb 0.76 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1dm7 h ALA 401 CO 0.06 0.65 -0.32 0.28 0.00 0.00 0.00 179.25 179.92 1dm7 h VAL 402 N 0.94 0.31 -0.98 0.00 2.07 -1.26 -1.74 116.25 115.59 1dm7 h VAL 402 Ca 0.18 -0.12 0.11 0.00 0.82 0.00 0.00 66.70 67.69 1dm7 h VAL 402 Cb 0.49 0.35 -0.08 0.00 -1.52 0.00 0.00 31.29 30.54 1dm7 h VAL 402 CO 0.02 0.01 0.63 -0.33 0.02 0.00 0.00 177.57 177.92 1dm7 h GLU 403 N -0.97 0.97 -0.47 1.57 4.39 -1.43 0.17 114.58 118.80 1dm7 h GLU 403 Ca -0.09 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.51 1dm7 h GLU 403 Cb 0.71 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 1dm7 h GLU 403 CO 0.15 0.64 0.14 0.82 -1.16 0.00 0.00 179.01 179.60 1dm7 h ILE 404 N 1.00 1.23 -0.54 3.13 2.04 -1.11 0.17 117.51 123.44 1dm7 h ILE 404 Ca 0.47 -0.77 -0.07 0.00 1.00 0.00 0.00 64.86 65.49 1dm7 h ILE 404 Cb 0.43 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1dm7 h ILE 404 CO -0.23 0.28 0.04 0.78 0.00 0.00 0.00 178.15 179.02 1dm7 h ASN 405 N 0.62 0.84 -0.55 1.72 2.35 -0.34 -1.23 115.58 119.00 1dm7 h ASN 405 Ca 0.15 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1dm7 h ASN 405 Cb 0.28 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 1dm7 h ASN 405 CO -0.00 0.88 0.22 0.25 -1.65 0.00 0.00 177.43 177.13 1dm7 h LEU 406 N 0.82 0.75 -0.48 1.61 5.85 -0.27 -1.98 115.31 121.61 1dm7 h LEU 406 Ca 0.16 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1dm7 h LEU 406 Cb 0.43 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 1dm7 h LEU 406 CO 0.02 0.71 0.25 0.00 -0.34 0.00 0.00 178.44 179.07 1dm7 h ALA 407 N 1.07 0.61 -0.12 1.25 0.00 -0.01 0.22 119.26 122.28 1dm7 h ALA 407 Ca 0.18 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1dm7 h ALA 407 Cb 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1dm7 h ALA 407 CO -0.02 -0.09 0.08 0.28 0.00 0.00 0.00 179.25 179.49 1dm7 h VAL 408 N 0.49 1.02 0.21 0.00 2.07 -0.88 0.12 116.25 119.28 1dm7 h VAL 408 Ca 0.21 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 1dm7 h VAL 408 Cb 0.10 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1dm7 h VAL 408 CO -0.14 0.03 -0.16 -0.07 0.02 0.00 0.00 177.57 177.25 1dm7 h LEU 409 N 0.16 -0.41 -0.99 2.57 3.38 -1.06 -2.05 115.31 116.90 1dm7 h LEU 409 Ca 0.05 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.12 1dm7 h LEU 409 Cb -0.01 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 1dm7 h LEU 409 CO -0.02 -0.25 0.63 -0.74 0.09 0.00 0.00 178.44 178.16 1dm7 h HIS 410 N -0.38 1.17 -0.04 1.13 2.76 -0.83 -1.59 115.15 117.38 1dm7 h HIS 410 Ca -0.01 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.07 1dm7 h HIS 410 Cb 0.34 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 1dm7 h HIS 410 CO -0.11 0.58 -0.51 0.77 -1.30 0.00 0.00 177.93 177.36 1dm7 h SER 411 N 1.12 0.12 0.11 3.26 0.02 -0.48 -1.84 113.55 115.86 1dm7 h SER 411 Ca 0.44 -0.06 -0.25 0.00 -0.84 0.00 0.00 61.79 61.08 1dm7 h SER 411 Cb 0.23 -0.03 0.03 0.00 0.14 0.00 0.00 62.40 62.76 1dm7 h SER 411 CO -0.19 0.61 -1.05 -0.26 -1.14 0.00 0.00 176.83 174.80 1dm7 h PHE 412 N 0.09 0.84 -0.56 3.45 0.04 -0.99 -2.29 116.94 117.52 1dm7 h PHE 412 Ca 0.00 -0.54 -0.01 0.00 2.80 0.00 0.00 57.97 60.22 1dm7 h PHE 412 Cb 0.93 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.99 1dm7 h PHE 412 CO 0.01 1.39 0.31 1.96 -0.60 0.00 0.00 178.31 181.38 1dm7 h GLN 413 N 0.06 0.78 -0.60 1.51 4.20 -1.27 0.21 115.11 119.99 1dm7 h GLN 413 Ca -0.16 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.46 1dm7 h GLN 413 Cb 1.76 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 29.36 1dm7 h GLN 413 CO 0.20 0.60 0.37 -0.07 -0.67 0.00 0.00 178.83 179.26 1dm7 h LEU 414 N 0.76 0.71 0.00 1.46 3.38 -1.39 -0.94 115.31 119.29 1dm7 h LEU 414 Ca 0.20 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1dm7 h LEU 414 Cb 0.04 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1dm7 h LEU 414 CO -0.03 0.55 0.00 0.00 0.09 0.00 0.00 178.44 179.05 1dm7 n ALA 415 N -2.28 2.55 -3.76 1.53 0.00 -0.86 -4.90 120.51 112.78 1dm7 n ALA 415 Ca 0.04 -0.17 -0.24 0.00 0.00 0.00 0.00 53.44 53.07 1dm7 n ALA 415 Cb 0.04 -1.47 0.03 0.00 0.00 0.00 0.00 19.45 18.05 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 -1.05 -5.07 -4.92 0.00 4.76 0.55 -4.97 118.16 107.46 1dm7 n LYS 416 Ca 0.20 0.61 -0.33 0.00 -2.87 0.00 0.00 58.31 55.93 1dm7 n LYS 416 Cb 0.12 -5.25 -0.15 0.00 -1.84 0.00 0.00 35.03 27.91 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 -3.58 2.75 0.30 -0.18 1.01 -0.16 -4.40 120.40 116.14 1dm7 s VAL 417 Ca 0.19 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 61.10 1dm7 s VAL 417 Cb -0.09 -2.12 -0.13 0.00 0.00 0.00 0.00 36.38 34.03 1dm7 s VAL 417 CO 0.82 0.54 1.25 0.41 0.00 0.00 0.00 175.10 178.12 1dm7 n THR 418 N 3.42 1.68 -3.53 3.92 -1.04 0.12 -4.42 114.28 114.43 1dm7 n THR 418 Ca -0.18 -0.42 -0.10 0.00 -2.04 0.00 0.00 64.05 61.31 1dm7 n THR 418 Cb 0.53 -1.39 -0.03 0.00 -1.82 0.00 0.00 70.33 67.61 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 -0.78 0.00 -0.03 12.58 2.07 -1.26 -4.52 121.20 129.27 1dm7 s ILE 419 Ca 0.60 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.85 1dm7 s ILE 419 Cb -0.63 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 40.98 1dm7 s ILE 419 CO 0.58 0.00 -0.02 0.54 -1.91 0.00 0.00 174.94 174.13 1dm7 s VAL 420 N -2.33 0.31 0.71 4.00 0.11 -0.85 -5.00 120.40 117.36 1dm7 s VAL 420 Ca 0.02 -0.05 -0.11 0.00 -2.93 0.00 0.00 61.98 58.91 1dm7 s VAL 420 Cb -0.01 -0.35 0.02 0.00 -1.53 0.00 0.00 36.38 34.51 1dm7 s VAL 420 CO -0.04 0.15 1.07 1.51 -3.33 0.00 0.00 175.10 174.45 1dm7 s ASP 421 N 0.65 5.26 0.62 3.54 -4.77 -1.26 -0.90 116.67 119.82 1dm7 s ASP 421 Ca -0.07 1.57 0.38 0.00 -3.30 0.00 0.00 52.55 51.13 1dm7 s ASP 421 Cb -0.10 -2.43 2.06 0.00 -1.09 0.00 0.00 42.92 41.36 1dm7 s ASP 421 CO -0.01 -1.51 2.26 1.12 0.70 0.00 0.00 175.17 177.73 1dm7 h HIS 422 N -0.77 0.00 0.02 2.11 2.07 -1.97 -0.63 115.15 115.99 1dm7 h HIS 422 Ca -0.44 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.08 1dm7 h HIS 422 Cb 1.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.20 1dm7 h HIS 422 CO 0.60 0.02 -0.01 0.45 -3.07 0.00 0.00 177.93 175.91 1dm7 h HIS 423 N 0.00 -0.03 -0.36 6.12 3.86 -1.98 -2.57 115.15 120.20 1dm7 h HIS 423 Ca -0.00 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1dm7 h HIS 423 Cb 0.11 0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.56 1dm7 h HIS 423 CO 0.00 0.67 0.16 0.00 0.86 0.00 0.00 177.93 179.62 1dm7 h ALA 424 N -0.21 0.44 0.08 2.45 0.00 -1.89 -1.76 119.26 118.36 1dm7 h ALA 424 Ca -0.00 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1dm7 h ALA 424 Cb 0.70 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1dm7 h ALA 424 CO 0.00 -0.22 -0.28 0.00 0.00 0.00 0.00 179.25 178.75 1dm7 h ALA 425 N 1.20 -0.46 -0.30 0.00 0.00 -1.22 -1.73 119.26 116.76 1dm7 h ALA 425 Ca 0.16 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1dm7 h ALA 425 Cb 0.09 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1dm7 h ALA 425 CO -0.13 -0.81 -0.06 1.79 0.00 0.00 0.00 179.25 180.04 1dm7 h THR 426 N -0.48 1.20 -0.50 0.00 1.35 -1.30 -1.43 112.91 111.75 1dm7 h THR 426 Ca 0.04 -0.86 -0.01 0.00 -0.55 0.00 0.00 66.41 65.03 1dm7 h THR 426 Cb 0.52 1.04 -0.02 0.00 -1.73 0.00 0.00 68.15 67.96 1dm7 h THR 426 CO -0.19 0.29 0.28 0.58 -0.25 0.00 0.00 175.52 176.22 1dm7 h VAL 427 N 0.46 1.17 0.00 6.82 2.07 -0.99 -1.32 116.25 124.46 1dm7 h VAL 427 Ca 0.09 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 1dm7 h VAL 427 Cb 0.39 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1dm7 h VAL 427 CO 0.02 0.19 -0.28 0.77 0.02 0.00 0.00 177.57 178.28 1dm7 h SER 428 N 0.67 0.00 0.60 0.57 4.64 -0.87 -1.90 113.55 117.26 1dm7 h SER 428 Ca 0.18 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.38 1dm7 h SER 428 Cb 0.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1dm7 h SER 428 CO -0.03 0.28 -0.58 0.15 -0.87 0.00 0.00 176.83 175.78 1dm7 h PHE 429 N 0.00 0.00 -0.21 4.77 3.57 -0.43 -0.99 116.94 123.65 1dm7 h PHE 429 Ca -0.00 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 1dm7 h PHE 429 Cb 0.68 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1dm7 h PHE 429 CO 0.00 0.58 -0.33 0.52 -2.23 0.00 0.00 178.31 176.86 1dm7 h MET 430 N 0.00 0.43 -0.46 1.11 2.86 -0.47 -0.63 114.93 117.77 1dm7 h MET 430 Ca -0.01 -0.18 -0.11 0.00 -2.06 0.00 0.00 59.70 57.34 1dm7 h MET 430 Cb 1.04 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.67 1dm7 h MET 430 CO 0.08 0.71 -0.13 -0.22 1.06 0.00 0.00 176.91 178.40 1dm7 h LYS 431 N 0.37 0.90 -0.72 1.72 1.63 -1.07 -2.65 116.57 116.75 1dm7 h LYS 431 Ca 0.05 -0.35 -0.05 0.00 -0.85 0.00 0.00 60.65 59.44 1dm7 h LYS 431 Cb 0.75 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.31 1dm7 h LYS 431 CO 0.06 1.00 0.24 1.25 -3.45 0.00 0.00 179.45 178.55 1dm7 h HIS 432 N 0.73 1.12 -0.70 1.91 2.76 -0.68 -1.27 115.15 119.04 1dm7 h HIS 432 Ca 0.11 -0.10 -0.04 0.00 -2.20 0.00 0.00 60.37 58.14 1dm7 h HIS 432 Cb 0.69 -0.33 -0.03 0.00 1.55 0.00 0.00 27.41 29.28 1dm7 h HIS 432 CO 0.05 0.88 0.28 -0.07 -1.30 0.00 0.00 177.93 177.77 1dm7 h LEU 433 N 1.06 0.94 -0.28 0.26 3.38 -0.99 -0.44 115.31 119.23 1dm7 h LEU 433 Ca 0.23 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1dm7 h LEU 433 Cb 0.27 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1dm7 h LEU 433 CO -0.01 0.84 -0.13 -0.78 0.09 0.00 0.00 178.44 178.44 1dm7 h ASP 434 N 1.01 0.60 -0.33 -0.43 3.58 -1.10 -0.65 116.42 119.09 1dm7 h ASP 434 Ca 0.23 -0.41 0.02 0.00 0.42 0.00 0.00 57.03 57.30 1dm7 h ASP 434 Cb 0.19 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.05 1dm7 h ASP 434 CO -0.02 0.88 0.18 0.78 -2.88 0.00 0.00 179.24 178.17 1dm7 h ASN 435 N 0.33 0.27 0.37 2.28 2.35 -0.90 -2.80 115.58 117.48 1dm7 h ASN 435 Ca 0.06 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 1dm7 h ASN 435 Cb 0.65 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 1dm7 h ASN 435 CO 0.04 0.20 -0.41 -0.33 -1.65 0.00 0.00 177.43 175.28 1dm7 h GLU 436 N 0.36 0.05 -0.39 0.81 4.39 -1.02 -0.93 114.58 117.85 1dm7 h GLU 436 Ca 0.14 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 1dm7 h GLU 436 Cb 0.03 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1dm7 h GLU 436 CO -0.08 0.45 0.23 0.37 -1.16 0.00 0.00 179.01 178.81 1dm7 h GLN 437 N 0.04 0.54 -0.15 2.33 5.75 -0.86 0.13 115.11 122.89 1dm7 h GLN 437 Ca 0.00 -0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 58.40 1dm7 h GLN 437 Cb 0.74 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.17 1dm7 h GLN 437 CO 0.05 0.41 -0.12 0.87 -2.65 0.00 0.00 178.83 177.39 1dm7 h LYS 438 N 0.51 0.34 0.00 1.69 1.57 -1.32 0.97 116.57 120.33 1dm7 h LYS 438 Ca 0.14 -0.17 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 1dm7 h LYS 438 Cb 0.01 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1dm7 h LYS 438 CO -0.03 0.71 -0.66 0.00 -0.57 0.00 0.00 179.45 178.91 1dm7 h ALA 439 N 0.62 0.79 0.00 3.86 0.00 -1.07 -3.39 119.26 120.07 1dm7 h ALA 439 Ca 0.03 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1dm7 h ALA 439 Cb 0.64 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1dm7 h ALA 439 CO 0.03 0.82 0.00 0.54 0.00 0.00 0.00 179.25 180.64 1dm7 n ARG 440 N -3.57 0.14 -1.29 0.00 1.74 0.40 -5.02 116.66 109.06 1dm7 n ARG 440 Ca -0.00 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1dm7 n ARG 440 Cb 0.69 -0.40 0.00 0.00 -1.02 0.00 0.00 32.46 31.73 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 0.03 0.38 0.00 -0.13 0.00 0.33 -4.06 105.19 101.75 1dm7 n GLY 441 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.42 -1.79 3.46 -0.02 0.00 -1.14 -1.10 105.19 102.18 1dm7 n GLY 442 Ca 0.00 -1.48 -0.01 0.00 0.00 0.00 0.00 46.02 44.53 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 2.84 4.21 -0.09 0.00 0.04 -1.26 -4.63 135.00 136.11 1dm7 s PRO 444 Ca 0.01 2.32 -0.07 0.00 0.04 0.00 0.00 61.00 63.30 1dm7 s PRO 444 Cb -0.13 -3.43 0.03 0.00 0.04 0.00 0.00 34.50 31.01 1dm7 s PRO 444 CO -0.19 -0.67 0.22 0.00 0.04 0.00 0.00 177.00 176.41 1dm7 s ALA 445 N 2.04 -0.54 -0.59 8.56 0.00 -0.46 -4.20 121.76 126.58 1dm7 s ALA 445 Ca 0.72 0.74 -0.16 0.00 0.00 0.00 0.00 51.96 53.26 1dm7 s ALA 445 Cb -0.41 -0.45 0.14 0.00 0.00 0.00 0.00 23.12 22.41 1dm7 s ALA 445 CO 0.32 -0.13 0.55 0.34 0.00 0.00 0.00 175.76 176.83 1dm7 s ASP 446 N 0.51 6.29 0.15 0.00 -1.08 0.18 -3.60 116.67 119.12 1dm7 s ASP 446 Ca -0.03 -1.93 -0.29 0.00 -0.52 0.00 0.00 52.55 49.77 1dm7 s ASP 446 Cb -0.05 -2.21 -0.04 0.00 -1.46 0.00 0.00 42.92 39.16 1dm7 s ASP 446 CO -0.03 -0.82 1.55 -0.25 0.52 0.00 0.00 175.17 176.15 1dm7 h TRP 447 N 8.72 -1.56 -0.96 -5.34 7.01 -1.89 0.34 115.95 122.26 1dm7 h TRP 447 Ca -0.23 0.09 0.24 0.00 2.11 0.00 0.00 58.89 61.10 1dm7 h TRP 447 Cb 1.09 0.76 -0.06 0.00 -2.10 0.00 0.00 29.16 28.85 1dm7 h TRP 447 CO 0.78 -0.44 0.65 0.00 -2.79 0.00 0.00 178.44 176.64 1dm7 h ALA 448 N 0.34 2.44 0.00 2.65 0.00 -1.92 -0.46 119.26 122.32 1dm7 h ALA 448 Ca 0.14 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 1dm7 h ALA 448 Cb 0.55 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1dm7 h ALA 448 CO -0.70 -0.76 -1.15 -1.49 0.00 0.00 0.00 179.25 175.15 1dm7 h TRP 449 N 0.27 0.00 0.15 0.00 4.06 -1.43 -3.37 115.95 115.63 1dm7 h TRP 449 Ca 0.50 0.00 -0.29 0.00 2.06 0.00 0.00 58.89 61.16 1dm7 h TRP 449 Cb 1.47 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 29.65 1dm7 h TRP 449 CO -0.00 0.57 -1.28 0.82 -3.56 0.00 0.00 178.44 174.99 1dm7 h ILE 450 N 0.00 1.42 -3.38 1.49 1.08 0.53 -3.45 117.51 115.20 1dm7 h ILE 450 Ca -0.11 -2.87 -0.52 0.00 -0.39 0.00 0.00 64.86 60.96 1dm7 h ILE 450 Cb 1.54 2.91 0.01 0.00 -3.07 0.00 0.00 36.82 38.21 1dm7 h ILE 450 CO 0.05 0.85 0.55 -0.69 -0.69 0.00 0.00 178.15 178.22 1dm7 s VAL 451 N -2.72 3.78 0.67 1.67 1.01 -0.47 -4.95 120.40 119.39 1dm7 s VAL 451 Ca -0.06 1.41 -0.16 0.00 0.00 0.00 0.00 61.98 63.17 1dm7 s VAL 451 Cb 0.06 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1dm7 s VAL 451 CO 0.90 0.18 1.17 -2.84 0.00 0.00 0.00 175.10 174.52 1dm7 s PRO 452 N 0.24 2.60 0.00 2.72 0.02 -1.26 -4.93 135.00 134.39 1dm7 s PRO 452 Ca 0.55 1.66 0.10 0.00 0.02 0.00 0.00 61.00 63.33 1dm7 s PRO 452 Cb -0.31 -1.90 0.45 0.00 0.02 0.00 0.00 34.50 32.76 1dm7 s PRO 452 CO 0.33 -1.46 1.31 -0.35 -0.33 0.00 0.00 177.00 176.51 1dm7 n PRO 453 N -2.27 0.02 -3.97 5.54 -0.04 -1.26 -4.20 135.00 128.82 1dm7 n PRO 453 Ca 0.12 0.30 -0.09 0.00 -0.04 0.00 0.00 63.50 63.79 1dm7 n PRO 453 Cb 0.51 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.93 0.11 -1.42 0.52 -4.36 -1.26 -4.88 121.20 106.98 1dm7 s ILE 454 Ca 0.06 -0.94 -0.09 0.00 -0.26 0.00 0.00 60.65 59.42 1dm7 s ILE 454 Cb 0.07 -0.36 0.05 0.00 1.25 0.00 0.00 42.46 43.47 1dm7 s ILE 454 CO 0.18 -0.52 0.64 -1.20 0.24 0.00 0.00 174.94 174.29 1dm7 n SER 455 N 1.49 -4.80 -0.02 4.36 7.64 -1.26 -4.91 113.62 116.11 1dm7 n SER 455 Ca -0.23 -0.43 -0.01 0.00 1.01 0.00 0.00 58.87 59.20 1dm7 n SER 455 Cb 0.55 -3.90 -0.01 0.00 -1.01 0.00 0.00 64.21 59.85 1dm7 n SER 455 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1dm7 h GLY 456 N -1.37 -2.07 2.00 0.23 0.00 -1.90 -0.83 103.07 99.12 1dm7 h GLY 456 Ca -0.49 0.92 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1dm7 h GLY 456 CO 0.57 -0.76 0.00 -1.14 0.00 0.00 0.00 176.54 175.21 1dm7 n SER 457 N -3.03 0.02 0.03 0.19 3.41 -1.26 -0.75 113.62 112.23 1dm7 n SER 457 Ca -0.00 0.51 0.13 0.00 -0.26 0.00 0.00 58.87 59.25 1dm7 n SER 457 Cb 0.03 -0.51 0.50 0.00 -0.26 0.00 0.00 64.21 63.97 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 -1.53 0.29 -4.87 1.04 4.77 -0.33 -4.80 117.00 111.57 1dm7 n LEU 458 Ca 0.00 0.45 -0.28 0.00 -0.03 0.00 0.00 56.01 56.15 1dm7 n LEU 458 Cb 0.03 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 40.66 1dm7 n LEU 458 CO 0.02 -0.03 -0.17 0.42 -1.33 0.00 0.00 177.39 176.30 1dm7 s THR 459 N -3.03 5.00 0.40 -5.08 -4.23 0.07 -5.03 115.64 103.74 1dm7 s THR 459 Ca 0.12 -0.71 0.23 0.00 -1.18 0.00 0.00 61.69 60.15 1dm7 s THR 459 Cb 0.17 -3.50 0.24 0.00 1.34 0.00 0.00 72.50 70.75 1dm7 s THR 459 CO 0.57 0.01 2.01 1.55 -0.54 0.00 0.00 174.62 178.23 1dm7 h PRO 460 N 2.67 0.00 0.00 3.99 0.13 -1.87 -3.14 132.00 133.79 1dm7 h PRO 460 Ca -0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 1dm7 h PRO 460 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1dm7 h PRO 460 CO 0.69 0.17 -0.25 -0.39 -0.23 0.00 0.00 178.00 177.99 1dm7 h VAL 461 N 0.00 0.97 -0.79 1.56 -1.51 -1.89 -2.98 116.25 111.62 1dm7 h VAL 461 Ca -0.00 -0.93 0.10 0.00 -1.23 0.00 0.00 66.70 64.63 1dm7 h VAL 461 Cb 0.40 1.53 -0.07 0.00 -2.13 0.00 0.00 31.29 31.02 1dm7 h VAL 461 CO 0.02 0.25 0.43 0.15 -1.23 0.00 0.00 177.57 177.19 1dm7 h PHE 462 N 0.00 0.78 -0.11 5.19 3.57 -1.76 -2.05 116.94 122.56 1dm7 h PHE 462 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1dm7 h PHE 462 Cb 0.51 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1dm7 h PHE 462 CO 0.00 0.31 0.00 0.72 -2.23 0.00 0.00 178.31 177.11 1dm7 n HIS 463 N -4.78 0.14 -3.67 0.41 8.25 -1.12 -4.76 115.22 109.69 1dm7 n HIS 463 Ca 0.13 -0.07 -0.39 0.00 -0.26 0.00 0.00 57.72 57.13 1dm7 n HIS 463 Cb 0.28 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.27 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 -1.86 3.13 0.76 -0.41 2.00 -0.77 -0.34 119.66 122.17 1dm7 s GLN 464 Ca 0.26 -0.86 -0.13 0.00 -2.00 0.00 0.00 55.36 52.63 1dm7 s GLN 464 Cb 0.13 -3.55 0.06 0.00 0.80 0.00 0.00 33.01 30.44 1dm7 s GLN 464 CO 0.20 -0.50 1.14 -1.21 -0.50 0.00 0.00 175.29 174.42 1dm7 s GLU 465 N 1.56 2.07 -0.06 1.67 2.02 -0.19 -4.99 118.70 120.78 1dm7 s GLU 465 Ca 0.03 1.49 -0.05 0.00 0.02 0.00 0.00 54.97 56.45 1dm7 s GLU 465 Cb -0.18 -1.85 0.02 0.00 0.10 0.00 0.00 34.13 32.22 1dm7 s GLU 465 CO 0.05 -1.83 0.16 -1.64 0.02 0.00 0.00 175.26 172.02 1dm7 s MET 466 N -4.35 0.18 -0.19 1.61 -1.94 -1.26 -4.75 119.30 108.60 1dm7 s MET 466 Ca 0.68 0.22 -0.09 0.00 -1.71 0.00 0.00 55.69 54.79 1dm7 s MET 466 Cb -0.23 0.08 -0.05 0.00 2.01 0.00 0.00 34.83 36.65 1dm7 s MET 466 CO 0.50 -0.02 0.11 0.08 -0.01 0.00 0.00 175.02 175.67 1dm7 s VAL 467 N 0.10 5.25 -0.12 -6.03 1.01 -1.26 -4.88 120.40 114.47 1dm7 s VAL 467 Ca -0.00 0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.11 1dm7 s VAL 467 Cb -0.01 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1dm7 s VAL 467 CO 0.00 0.47 -0.11 0.21 0.00 0.00 0.00 175.10 175.66 1dm7 s ASN 468 N 0.20 4.17 0.20 3.32 3.04 -1.24 -1.35 114.94 123.28 1dm7 s ASN 468 Ca 0.08 -0.27 -0.23 0.00 0.04 0.00 0.00 52.86 52.48 1dm7 s ASN 468 Cb -0.11 -1.54 0.05 0.00 -1.54 0.00 0.00 41.25 38.10 1dm7 s ASN 468 CO -0.01 0.19 0.80 -0.72 -3.04 0.00 0.00 177.10 174.32 1dm7 s TYR 469 N 0.19 -0.23 -0.23 0.43 -0.85 -1.26 -4.95 117.35 110.44 1dm7 s TYR 469 Ca -0.07 -0.12 -0.08 0.00 -0.52 0.00 0.00 57.07 56.29 1dm7 s TYR 469 Cb -0.15 0.65 -0.03 0.00 0.38 0.00 0.00 41.96 42.81 1dm7 s TYR 469 CO 0.05 -1.00 0.08 0.42 -1.52 0.00 0.00 175.55 173.58 1dm7 s ILE 470 N -3.62 4.55 0.12 -3.49 1.01 -1.26 -4.83 121.20 113.68 1dm7 s ILE 470 Ca 0.10 -0.10 0.09 0.00 0.00 0.00 0.00 60.65 60.74 1dm7 s ILE 470 Cb -0.03 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 1dm7 s ILE 470 CO 0.01 0.37 -0.18 -0.76 0.00 0.00 0.00 174.94 174.38 1dm7 s LEU 471 N 1.24 2.69 0.05 2.97 1.43 -1.26 -4.02 118.68 121.77 1dm7 s LEU 471 Ca 0.05 -0.58 0.08 0.00 -1.03 0.00 0.00 54.13 52.65 1dm7 s LEU 471 Cb -0.14 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 1dm7 s LEU 471 CO 0.04 0.17 -0.22 -0.55 0.23 0.00 0.00 176.35 176.02 1dm7 s SER 472 N -2.19 2.65 0.75 2.29 0.15 -1.26 -4.18 113.70 111.91 1dm7 s SER 472 Ca 0.18 -0.56 -0.17 0.00 0.70 0.00 0.00 55.95 56.11 1dm7 s SER 472 Cb -0.10 -0.22 -0.09 0.00 -1.71 0.00 0.00 66.02 63.90 1dm7 s SER 472 CO 0.10 0.17 0.04 -2.65 1.20 0.00 0.00 173.24 172.11 1dm7 n PRO 473 N 1.74 0.10 -3.48 5.44 -0.02 -1.26 -4.97 135.00 132.56 1dm7 n PRO 473 Ca -0.17 0.06 -0.14 0.00 -2.02 0.00 0.00 63.50 61.22 1dm7 n PRO 473 Cb 0.53 -1.43 -0.04 0.00 -0.02 0.00 0.00 33.50 32.54 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 -2.00 -1.71 -0.23 3.55 0.00 -0.30 -4.11 121.76 116.97 1dm7 s ALA 474 Ca 0.57 0.95 -0.12 0.00 0.00 0.00 0.00 51.96 53.36 1dm7 s ALA 474 Cb -0.33 0.38 -0.05 0.00 0.00 0.00 0.00 23.12 23.11 1dm7 s ALA 474 CO 0.67 -0.56 0.21 -0.06 0.00 0.00 0.00 175.76 176.01 1dm7 s PHE 475 N -2.44 3.34 0.22 0.00 0.40 -1.26 -0.45 117.98 117.79 1dm7 s PHE 475 Ca -0.04 0.32 0.08 0.00 -0.60 0.00 0.00 56.93 56.69 1dm7 s PHE 475 Cb -0.01 -2.31 -0.05 0.00 0.51 0.00 0.00 43.02 41.17 1dm7 s PHE 475 CO -0.02 0.08 -0.13 1.03 0.70 0.00 0.00 175.22 176.88 1dm7 s ARG 476 N 1.00 1.37 0.49 0.44 0.52 0.90 -4.94 118.95 118.74 1dm7 s ARG 476 Ca 0.10 -1.62 -0.15 0.00 -0.52 0.00 0.00 55.73 53.54 1dm7 s ARG 476 Cb -0.13 -1.15 -0.07 0.00 0.52 0.00 0.00 34.95 34.11 1dm7 s ARG 476 CO 0.04 0.17 0.93 0.71 0.02 0.00 0.00 175.30 177.18 1dm7 s TYR 477 N -2.96 3.46 0.03 -0.53 2.02 -1.26 0.44 117.35 118.56 1dm7 s TYR 477 Ca 0.24 1.35 -0.02 0.00 -0.37 0.00 0.00 57.07 58.27 1dm7 s TYR 477 Cb -0.00 -2.70 -0.02 0.00 -0.40 0.00 0.00 41.96 38.84 1dm7 s TYR 477 CO 0.08 -0.31 0.01 1.14 -1.57 0.00 0.00 175.55 174.90 1dm7 s GLN 478 N -4.06 0.46 0.72 -0.62 -2.07 -1.26 -2.67 119.66 110.15 1dm7 s GLN 478 Ca 0.57 -0.77 -0.15 0.00 -1.82 0.00 0.00 55.36 53.18 1dm7 s GLN 478 Cb -0.10 0.17 0.03 0.00 -1.09 0.00 0.00 33.01 32.02 1dm7 s GLN 478 CO 0.32 -0.09 1.20 -2.14 -1.32 0.00 0.00 175.29 173.26 1dm7 s PRO 479 N -2.31 2.21 0.33 9.60 0.02 -1.26 -4.95 135.00 138.63 1dm7 s PRO 479 Ca -0.08 1.73 -0.28 0.00 0.02 0.00 0.00 61.00 62.39 1dm7 s PRO 479 Cb -0.03 -1.84 -0.10 0.00 0.02 0.00 0.00 34.50 32.54 1dm7 s PRO 479 CO -0.04 -1.78 1.26 -0.51 -0.33 0.00 0.00 177.00 175.60 1dm7 s ASP 480 N -2.07 6.82 0.62 2.53 1.01 -1.26 -4.91 116.67 119.41 1dm7 s ASP 480 Ca 0.74 2.58 0.34 0.00 0.71 0.00 0.00 52.55 56.92 1dm7 s ASP 480 Cb -0.28 -2.64 1.95 0.00 1.01 0.00 0.00 42.92 42.95 1dm7 s ASP 480 CO 0.45 -0.49 2.23 1.55 0.21 0.00 0.00 175.17 179.12 1dm7 h PRO 481 N 3.37 0.00 -0.02 8.23 0.13 -1.94 -3.52 132.00 138.24 1dm7 h PRO 481 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1dm7 h PRO 481 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1dm7 h PRO 481 CO 0.65 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.75