#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dm8 s PHE 70 N 0.00 3.25 0.25 2.13 0.40 -1.26 -4.99 117.98 117.76 1dm8 s PHE 70 Ca 0.00 0.28 -0.30 0.00 -0.60 0.00 0.00 56.93 56.32 1dm8 s PHE 70 Cb 0.00 -2.46 -0.09 0.00 0.51 0.00 0.00 43.02 40.98 1dm8 s PHE 70 CO 0.00 -0.15 1.24 -1.25 0.70 0.00 0.00 175.22 175.76 1dm8 s PRO 71 N 1.78 4.46 -0.01 0.24 0.04 -1.26 -4.84 135.00 135.41 1dm8 s PRO 71 Ca 0.11 2.01 -0.26 0.00 0.04 0.00 0.00 61.00 62.90 1dm8 s PRO 71 Cb -0.16 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 1dm8 s PRO 71 CO 0.10 -0.10 0.80 0.50 0.04 0.00 0.00 177.00 178.34 1dm8 s ARG 72 N -0.89 4.49 -0.17 4.56 3.52 -1.26 -2.05 118.95 127.15 1dm8 s ARG 72 Ca 0.51 1.08 0.01 0.00 -0.13 0.00 0.00 55.73 57.20 1dm8 s ARG 72 Cb -0.36 -3.42 0.01 0.00 -1.56 0.00 0.00 34.95 29.62 1dm8 s ARG 72 CO 0.42 0.11 -0.19 0.08 -0.81 0.00 0.00 175.30 174.91 1dm8 s VAL 73 N 0.57 2.25 0.05 7.11 1.01 0.16 -4.98 120.40 126.58 1dm8 s VAL 73 Ca 0.42 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.56 1dm8 s VAL 73 Cb -0.20 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1dm8 s VAL 73 CO 0.22 0.53 -0.12 -0.75 0.00 0.00 0.00 175.10 174.98 1dm8 s LYS 74 N 1.12 2.22 -0.27 2.72 2.20 -1.26 -1.00 119.74 125.46 1dm8 s LYS 74 Ca 0.00 -0.92 -0.06 0.00 -0.36 0.00 0.00 55.97 54.63 1dm8 s LYS 74 Cb -0.14 -2.32 -0.00 0.00 -1.51 0.00 0.00 37.83 33.86 1dm8 s LYS 74 CO -0.07 0.55 0.06 1.21 -0.36 0.00 0.00 175.35 176.73 1dm8 s ASN 75 N -1.69 4.98 0.05 1.43 3.84 -0.59 -1.93 114.94 121.03 1dm8 s ASN 75 Ca 0.18 -0.57 0.25 0.00 0.21 0.00 0.00 52.86 52.93 1dm8 s ASN 75 Cb -0.11 -1.86 1.02 0.00 -0.55 0.00 0.00 41.25 39.75 1dm8 s ASN 75 CO 0.09 -0.13 1.79 0.79 -2.79 0.00 0.00 177.10 176.85 1dm8 n TRP 76 N 4.86 0.20 0.09 0.43 7.02 -0.16 -0.55 117.44 129.33 1dm8 n TRP 76 Ca -0.15 0.06 -0.21 0.00 -1.02 0.00 0.00 57.50 56.18 1dm8 n TRP 76 Cb 0.49 -0.60 -0.15 0.00 -2.42 0.00 0.00 31.31 28.63 1dm8 n TRP 76 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1dm8 h GLU 77 N 0.00 0.38 0.00 -0.99 4.81 -1.95 -3.39 114.58 113.44 1dm8 h GLU 77 Ca 0.00 -0.64 -0.14 0.00 -0.13 0.00 0.00 59.36 58.44 1dm8 h GLU 77 Cb 0.48 0.24 -0.03 0.00 0.63 0.00 0.00 28.75 30.07 1dm8 h GLU 77 CO 0.00 1.28 -2.03 1.28 -0.73 0.00 0.00 179.01 178.80 1dm8 n LEU 78 N -3.57 0.00 0.00 1.64 4.77 -1.23 -5.00 117.00 113.61 1dm8 n LEU 78 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1dm8 n LEU 78 Cb 1.07 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 42.35 1dm8 n LEU 78 CO 0.53 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 1dm8 n GLY 79 N 1.62 0.84 3.78 -0.72 0.00 0.29 -5.04 105.19 105.96 1dm8 n GLY 79 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 1dm8 n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dm8 s SER 80 N -3.00 5.55 0.03 1.61 1.04 -1.23 -4.80 113.70 112.89 1dm8 s SER 80 Ca 0.00 2.01 0.03 0.00 0.48 0.00 0.00 55.95 58.47 1dm8 s SER 80 Cb 0.00 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.55 1dm8 s SER 80 CO 0.00 -1.33 -0.09 -0.63 0.98 0.00 0.00 173.24 172.16 1dm8 s ILE 81 N -2.16 0.72 0.16 -1.02 1.01 -1.26 -1.54 121.20 117.11 1dm8 s ILE 81 Ca 0.68 -0.80 -0.06 0.00 0.00 0.00 0.00 60.65 60.47 1dm8 s ILE 81 Cb -0.20 -0.68 -0.02 0.00 0.01 0.00 0.00 42.46 41.56 1dm8 s ILE 81 CO 0.34 -0.09 0.20 0.42 0.00 0.00 0.00 174.94 175.81 1dm8 s THR 82 N -0.82 0.06 -0.10 2.92 -4.23 -0.17 -4.98 115.64 108.33 1dm8 s THR 82 Ca -0.02 -1.64 0.03 0.00 -1.18 0.00 0.00 61.69 58.88 1dm8 s THR 82 Cb -0.07 -2.01 0.01 0.00 1.34 0.00 0.00 72.50 71.76 1dm8 s THR 82 CO 0.01 -0.30 -0.20 -0.31 -0.54 0.00 0.00 174.62 173.28 1dm8 s TYR 83 N -4.02 2.22 -0.43 3.99 1.51 -1.26 0.40 117.35 119.76 1dm8 s TYR 83 Ca 0.22 -0.93 -0.23 0.00 -1.01 0.00 0.00 57.07 55.12 1dm8 s TYR 83 Cb 0.05 -1.52 0.02 0.00 -0.11 0.00 0.00 41.96 40.40 1dm8 s TYR 83 CO 0.03 -0.40 0.81 0.34 -1.11 0.00 0.00 175.55 175.21 1dm8 s ASP 84 N 0.53 6.46 -0.00 2.29 -1.08 -0.87 -4.74 116.67 119.26 1dm8 s ASP 84 Ca -0.16 0.04 0.15 0.00 -0.52 0.00 0.00 52.55 52.07 1dm8 s ASP 84 Cb -0.17 -2.40 -0.17 0.00 -1.46 0.00 0.00 42.92 38.73 1dm8 s ASP 84 CO 0.06 -0.89 0.65 0.35 0.52 0.00 0.00 175.17 175.85 1dm8 n THR 85 N 6.10 0.00 -0.00 1.71 -2.24 -0.39 -3.98 114.28 115.48 1dm8 n THR 85 Ca 0.03 -0.14 -0.07 0.00 -2.27 0.00 0.00 64.05 61.60 1dm8 n THR 85 Cb 0.48 1.00 0.11 0.00 -2.10 0.00 0.00 70.33 69.82 1dm8 n THR 85 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1dm8 h LEU 86 N 0.00 0.58 -2.12 3.22 5.85 -1.71 -3.04 115.31 118.08 1dm8 h LEU 86 Ca 0.00 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.49 1dm8 h LEU 86 Cb 0.36 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 1dm8 h LEU 86 CO 0.00 0.93 0.31 0.00 -0.34 0.00 0.00 178.44 179.33 1dm8 h ALA 88 N 1.50 1.11 -0.00 0.00 0.00 -1.84 -1.72 119.26 118.30 1dm8 h ALA 88 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1dm8 h ALA 88 Cb 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1dm8 h ALA 88 CO -0.00 0.05 -0.03 1.04 0.00 0.00 0.00 179.25 180.31 1dm8 n GLN 89 N -3.30 0.99 -2.30 0.00 1.13 0.59 -4.85 117.38 109.65 1dm8 n GLN 89 Ca -0.01 -0.26 -0.42 0.00 -1.94 0.00 0.00 57.00 54.37 1dm8 n GLN 89 Cb 0.20 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.03 1dm8 n GLN 89 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1dm8 s SER 90 N -2.19 6.95 0.00 1.08 0.15 -0.65 -4.90 113.70 114.14 1dm8 s SER 90 Ca 0.39 2.14 0.04 0.00 0.70 0.00 0.00 55.95 59.21 1dm8 s SER 90 Cb 0.21 -2.58 0.05 0.00 -1.71 0.00 0.00 66.02 61.99 1dm8 s SER 90 CO 0.40 -0.58 0.73 0.00 1.20 0.00 0.00 173.24 175.00 1dm8 n GLN 91 N 4.19 0.33 -5.26 5.44 1.13 -1.26 -4.99 117.38 116.96 1dm8 n GLN 91 Ca 0.11 -0.96 -0.31 0.00 -1.94 0.00 0.00 57.00 53.89 1dm8 n GLN 91 Cb 0.44 -1.08 -0.16 0.00 0.11 0.00 0.00 30.24 29.55 1dm8 n GLN 91 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1dm8 s GLN 92 N -0.49 2.53 0.26 -1.09 2.00 -1.26 -5.13 119.66 116.49 1dm8 s GLN 92 Ca 0.06 -0.90 -0.29 0.00 -2.00 0.00 0.00 55.36 52.22 1dm8 s GLN 92 Cb 0.04 -2.15 -0.09 0.00 0.80 0.00 0.00 33.01 31.60 1dm8 s GLN 92 CO 0.05 0.38 0.96 -0.51 -0.50 0.00 0.00 175.29 175.67 1dm8 s ASP 93 N -0.17 7.56 0.61 6.67 -0.00 -1.26 -4.41 116.67 125.68 1dm8 s ASP 93 Ca -0.03 1.97 -0.01 0.00 -0.00 0.00 0.00 52.55 54.47 1dm8 s ASP 93 Cb -0.14 -2.61 0.07 0.00 -0.00 0.00 0.00 42.92 40.24 1dm8 s ASP 93 CO 0.04 0.10 0.45 0.61 -0.00 0.00 0.00 175.17 176.36 1dm8 n GLY 94 N 1.33 0.37 0.06 0.21 0.00 -1.26 -4.95 105.19 100.96 1dm8 n GLY 94 Ca -0.01 -1.94 0.13 0.00 0.00 0.00 0.00 46.02 44.20 1dm8 n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dm8 n PRO 95 N -1.86 0.18 -2.15 1.61 -0.04 -1.26 -4.93 135.00 126.55 1dm8 n PRO 95 Ca 0.07 0.12 -0.30 0.00 -0.04 0.00 0.00 63.50 63.35 1dm8 n PRO 95 Cb 0.25 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1dm8 n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1dm8 s THR 97 N -3.01 0.05 0.49 0.00 -4.23 -0.95 -5.02 115.64 102.98 1dm8 s THR 97 Ca 0.53 -1.40 0.16 0.00 -1.18 0.00 0.00 61.69 59.80 1dm8 s THR 97 Cb -0.11 -1.92 0.30 0.00 1.34 0.00 0.00 72.50 72.11 1dm8 s THR 97 CO 0.50 -0.23 2.08 -0.65 -0.54 0.00 0.00 174.62 175.79 1dm8 h PRO 98 N 2.49 0.13 -0.15 3.99 0.11 -2.04 -2.68 132.00 133.85 1dm8 h PRO 98 Ca -0.31 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.62 1dm8 h PRO 98 Cb 1.23 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1dm8 h PRO 98 CO 0.46 0.09 -0.62 0.00 -0.21 0.00 0.00 178.00 177.72 1dm8 h ARG 99 N 0.14 0.54 -2.51 1.05 3.08 -2.02 -3.46 114.38 111.19 1dm8 h ARG 99 Ca 0.11 -0.37 -0.09 0.00 0.07 0.00 0.00 59.98 59.70 1dm8 h ARG 99 Cb 0.26 0.06 -0.21 0.00 0.08 0.00 0.00 29.97 30.16 1dm8 h ARG 99 CO -0.02 0.99 -0.08 -0.98 -1.07 0.00 0.00 179.97 178.82 1dm8 s ARG 100 N -3.87 0.74 -0.15 0.04 3.03 -1.01 -5.15 118.95 112.58 1dm8 s ARG 100 Ca -0.07 0.35 -0.13 0.00 2.03 0.00 0.00 55.73 57.90 1dm8 s ARG 100 Cb 0.11 0.35 -0.05 0.00 -1.03 0.00 0.00 34.95 34.33 1dm8 s ARG 100 CO 0.85 -0.17 0.28 0.00 -1.13 0.00 0.00 175.30 175.13 1dm8 n LEU 102 N 3.41 2.57 0.25 0.00 4.77 -1.26 -4.81 117.00 121.93 1dm8 n LEU 102 Ca -0.13 -3.49 0.17 0.00 -0.03 0.00 0.00 56.01 52.54 1dm8 n LEU 102 Cb 0.52 -0.48 0.88 0.00 -2.33 0.00 0.00 43.42 42.01 1dm8 n LEU 102 CO 0.39 1.05 1.14 1.23 -1.33 0.00 0.00 177.39 179.88 1dm8 h GLY 103 N 0.51 0.00 -0.05 -0.72 0.00 -1.93 -1.95 103.07 98.93 1dm8 h GLY 103 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dm8 h GLY 103 CO 0.01 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.41 1dm8 n SER 104 N -3.71 1.05 -4.74 0.19 3.41 -1.26 -4.87 113.62 103.69 1dm8 n SER 104 Ca -0.00 -1.37 -0.41 0.00 -0.26 0.00 0.00 58.87 56.83 1dm8 n SER 104 Cb 0.24 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.14 1dm8 n SER 104 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1dm8 s LEU 105 N -1.97 4.55 -0.05 1.04 1.02 -0.74 -4.99 118.68 117.54 1dm8 s LEU 105 Ca 0.40 1.93 -0.26 0.00 0.02 0.00 0.00 54.13 56.23 1dm8 s LEU 105 Cb 0.21 -3.60 -0.21 0.00 0.02 0.00 0.00 46.19 42.61 1dm8 s LEU 105 CO 0.34 -0.03 1.08 0.58 0.02 0.00 0.00 176.35 178.33 1dm8 h VAL 106 N 3.65 1.37 -3.26 -1.59 2.07 -1.90 -3.46 116.25 113.13 1dm8 h VAL 106 Ca -0.44 -1.40 -0.64 0.00 0.82 0.00 0.00 66.70 65.04 1dm8 h VAL 106 Cb 1.21 2.28 -0.13 0.00 -1.52 0.00 0.00 31.29 33.12 1dm8 h VAL 106 CO 0.71 0.35 -0.70 -0.76 0.02 0.00 0.00 177.57 177.19 1dm8 s LEU 107 N -8.96 3.20 0.59 2.57 1.43 -1.26 -5.12 118.68 111.13 1dm8 s LEU 107 Ca -0.16 -0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 52.41 1dm8 s LEU 107 Cb 0.00 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 1dm8 s LEU 107 CO 0.64 0.14 1.08 -2.84 0.23 0.00 0.00 176.35 175.60 1dm8 s PRO 108 N -2.51 3.21 0.01 1.29 0.02 -1.26 -4.96 135.00 130.80 1dm8 s PRO 108 Ca 0.24 1.34 0.18 0.00 0.02 0.00 0.00 61.00 62.79 1dm8 s PRO 108 Cb -0.10 -2.01 -0.18 0.00 0.02 0.00 0.00 34.50 32.23 1dm8 s PRO 108 CO 0.16 -0.91 0.65 -2.13 -0.33 0.00 0.00 177.00 174.44 1dm8 n ARG 109 N -1.93 0.64 0.00 5.54 3.00 -1.26 -4.70 116.66 117.95 1dm8 n ARG 109 Ca 0.10 0.11 0.00 0.00 -0.00 0.00 0.00 57.85 58.06 1dm8 n ARG 109 Cb 0.52 -1.71 0.00 0.00 0.00 0.00 0.00 32.46 31.27 1dm8 n ARG 109 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1dm8 n LYS 110 N -2.76 0.36 0.00 -0.14 3.00 -1.26 -4.86 118.16 112.50 1dm8 n LYS 110 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.19 1dm8 n LYS 110 Cb 0.84 -0.54 0.00 0.00 0.00 0.00 0.00 35.03 35.32 1dm8 n LYS 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1dm8 n LEU 111 N -0.63 0.18 0.00 3.14 4.32 -1.26 -4.74 117.00 118.00 1dm8 n LEU 111 Ca 0.00 -0.09 0.00 0.00 -0.02 0.00 0.00 56.01 55.90 1dm8 n LEU 111 Cb 0.04 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1dm8 n LEU 111 CO 0.00 0.03 0.00 1.67 -1.22 0.00 0.00 177.39 177.87 1dm8 n GLN 112 N 0.73 -0.42 -3.38 3.23 -0.06 -1.26 -4.91 117.38 111.31 1dm8 n GLN 112 Ca 0.00 0.00 -0.26 0.00 -2.00 0.00 0.00 57.00 54.74 1dm8 n GLN 112 Cb 0.03 0.00 -0.08 0.00 -4.06 0.00 0.00 30.24 26.13 1dm8 n GLN 112 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 1dm8 n THR 113 N -1.92 1.42 -1.08 1.69 -1.04 -1.26 -5.05 114.28 107.04 1dm8 n THR 113 Ca 0.00 -4.84 -0.37 0.00 -2.04 0.00 0.00 64.05 56.81 1dm8 n THR 113 Cb 0.00 -2.06 0.04 0.00 -1.82 0.00 0.00 70.33 66.49 1dm8 n THR 113 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1dm8 n ARG 114 N 1.10 0.01 -0.99 -2.82 5.12 -1.26 -4.77 116.66 113.05 1dm8 n ARG 114 Ca 0.27 0.01 -0.37 0.00 -1.93 0.00 0.00 57.85 55.83 1dm8 n ARG 114 Cb 0.44 -1.15 0.04 0.00 -1.16 0.00 0.00 32.46 30.63 1dm8 n ARG 114 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1dm8 n PRO 115 N 1.58 -0.03 -2.51 5.56 -0.02 -1.26 -4.97 135.00 133.35 1dm8 n PRO 115 Ca 0.03 -0.01 -0.17 0.00 -2.02 0.00 0.00 63.50 61.33 1dm8 n PRO 115 Cb 0.53 -1.03 0.02 0.00 -0.02 0.00 0.00 33.50 33.00 1dm8 n PRO 115 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1dm8 n SER 116 N 3.32 3.29 0.22 2.55 2.88 -1.26 -4.83 113.62 119.79 1dm8 n SER 116 Ca -0.02 -3.19 0.13 0.00 -1.33 0.00 0.00 58.87 54.46 1dm8 n SER 116 Cb 0.62 -0.47 0.25 0.00 -0.75 0.00 0.00 64.21 63.87 1dm8 n SER 116 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1dm8 h PRO 117 N 2.66 0.00 -6.09 -1.46 0.13 -1.90 -1.54 132.00 123.80 1dm8 h PRO 117 Ca 0.13 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.67 1dm8 h PRO 117 Cb 1.14 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.13 1dm8 h PRO 117 CO 0.64 0.00 -0.75 0.20 -0.23 0.00 0.00 178.00 177.86 1dm8 s GLY 118 N -4.16 1.86 0.15 1.56 0.00 -1.26 -0.45 107.32 105.02 1dm8 s GLY 118 Ca 0.06 -1.87 -0.30 0.00 0.00 0.00 0.00 44.72 42.61 1dm8 s GLY 118 CO 0.65 -1.95 1.25 2.56 0.00 0.00 0.00 173.10 175.61 1dm8 s PRO 119 N -3.54 4.43 0.24 2.90 0.04 -1.26 -4.69 135.00 133.12 1dm8 s PRO 119 Ca 0.29 1.92 -0.30 0.00 0.04 0.00 0.00 61.00 62.95 1dm8 s PRO 119 Cb -0.04 -3.25 -0.10 0.00 0.04 0.00 0.00 34.50 31.15 1dm8 s PRO 119 CO 0.14 -0.20 1.47 -1.25 0.04 0.00 0.00 177.00 177.20 1dm8 s PRO 120 N 0.23 4.25 -0.38 0.56 0.04 -1.26 -4.80 135.00 133.63 1dm8 s PRO 120 Ca 0.56 2.33 -0.34 0.00 0.04 0.00 0.00 61.00 63.60 1dm8 s PRO 120 Cb -0.33 -3.11 -0.15 0.00 0.04 0.00 0.00 34.50 30.95 1dm8 s PRO 120 CO 0.35 -0.47 1.54 -2.30 0.04 0.00 0.00 177.00 176.15 1dm8 n PRO 121 N 2.61 0.00 -0.36 0.56 -0.02 -1.26 -4.64 135.00 131.89 1dm8 n PRO 121 Ca 0.08 0.00 0.27 0.00 -2.02 0.00 0.00 63.50 61.83 1dm8 n PRO 121 Cb 0.40 -1.14 0.53 0.00 -0.02 0.00 0.00 33.50 33.26 1dm8 n PRO 121 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dm8 h ALA 122 N 6.18 2.23 -0.03 3.55 0.00 -1.91 0.13 119.26 129.41 1dm8 h ALA 122 Ca -0.13 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1dm8 h ALA 122 Cb 1.07 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1dm8 h ALA 122 CO 0.81 -0.78 0.00 0.93 0.00 0.00 0.00 179.25 180.21 1dm8 h GLU 123 N 0.30 0.04 0.30 0.00 4.39 -1.99 -0.44 114.58 117.18 1dm8 h GLU 123 Ca 0.71 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.39 1dm8 h GLU 123 Cb 1.84 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.47 1dm8 h GLU 123 CO -0.46 0.32 -0.21 0.37 -1.16 0.00 0.00 179.01 177.87 1dm8 h GLN 124 N -0.24 -0.48 -0.57 2.33 4.15 -1.20 -2.41 115.11 116.69 1dm8 h GLN 124 Ca 0.01 0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.51 1dm8 h GLN 124 Cb 0.30 0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.05 1dm8 h GLN 124 CO 0.00 -0.32 0.30 1.25 -1.93 0.00 0.00 178.83 178.13 1dm8 h LEU 125 N -0.50 0.45 -0.78 -2.39 5.85 -0.87 -2.57 115.31 114.50 1dm8 h LEU 125 Ca -0.03 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1dm8 h LEU 125 Cb 0.43 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1dm8 h LEU 125 CO 0.01 0.30 0.34 0.25 -0.34 0.00 0.00 178.44 179.00 1dm8 h LEU 126 N 0.58 1.06 -0.66 2.25 5.85 -0.97 -0.35 115.31 123.07 1dm8 h LEU 126 Ca 0.25 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 1dm8 h LEU 126 Cb 0.14 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1dm8 h LEU 126 CO -0.16 0.93 0.14 0.77 -0.34 0.00 0.00 178.44 179.78 1dm8 h SER 127 N 1.13 1.01 -0.41 1.25 4.64 -1.17 0.61 113.55 120.62 1dm8 h SER 127 Ca 0.26 -0.24 -0.12 0.00 -0.47 0.00 0.00 61.79 61.22 1dm8 h SER 127 Cb 0.18 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1dm8 h SER 127 CO -0.03 1.00 -0.19 1.56 -0.87 0.00 0.00 176.83 178.30 1dm8 h GLN 128 N 0.99 0.90 -0.51 4.77 4.20 -1.23 -1.39 115.11 122.84 1dm8 h GLN 128 Ca 0.20 -0.36 -0.08 0.00 0.06 0.00 0.00 58.65 58.47 1dm8 h GLN 128 Cb 0.39 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1dm8 h GLN 128 CO 0.01 1.01 0.01 0.00 -0.67 0.00 0.00 178.83 179.19 1dm8 h ALA 129 N 0.99 0.69 -0.43 3.87 0.00 -0.74 -1.47 119.26 122.16 1dm8 h ALA 129 Ca 0.11 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1dm8 h ALA 129 Cb 0.74 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1dm8 h ALA 129 CO 0.06 0.49 -0.18 0.00 0.00 0.00 0.00 179.25 179.62 1dm8 h ARG 130 N 0.76 0.88 -0.13 0.00 3.08 -0.79 -0.83 114.38 117.36 1dm8 h ARG 130 Ca 0.15 -0.37 0.03 0.00 0.07 0.00 0.00 59.98 59.86 1dm8 h ARG 130 Cb 0.50 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 1dm8 h ARG 130 CO 0.02 1.02 -0.09 0.22 -1.07 0.00 0.00 179.97 180.07 1dm8 h ASP 131 N 0.71 -0.28 -0.23 7.04 3.58 -1.11 0.66 116.42 126.79 1dm8 h ASP 131 Ca 0.10 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.61 1dm8 h ASP 131 Cb 0.73 0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.92 1dm8 h ASP 131 CO 0.06 -0.12 0.14 0.15 -2.88 0.00 0.00 179.24 176.59 1dm8 h PHE 132 N -0.09 0.30 -0.96 0.28 3.57 -1.14 0.01 116.94 118.91 1dm8 h PHE 132 Ca 0.08 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.61 1dm8 h PHE 132 Cb 0.21 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.79 1dm8 h PHE 132 CO -0.21 0.23 0.63 0.82 -2.23 0.00 0.00 178.31 177.54 1dm8 h ILE 133 N 0.29 1.17 -0.32 1.41 1.08 -0.83 0.11 117.51 120.42 1dm8 h ILE 133 Ca 0.08 -0.42 -0.01 0.00 -0.39 0.00 0.00 64.86 64.13 1dm8 h ILE 133 Cb 0.01 -0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 33.59 1dm8 h ILE 133 CO -0.02 0.22 0.17 0.78 -0.69 0.00 0.00 178.15 178.61 1dm8 h ASN 134 N 1.22 0.41 -0.09 1.72 2.35 -0.38 -1.38 115.58 119.43 1dm8 h ASN 134 Ca 0.38 -0.11 0.04 0.00 -0.55 0.00 0.00 56.30 56.07 1dm8 h ASN 134 Cb -0.00 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.22 1dm8 h ASN 134 CO -0.12 0.40 -0.19 1.56 -1.65 0.00 0.00 177.43 177.43 1dm8 h GLN 135 N 0.40 -0.25 -0.17 0.81 4.20 0.25 -1.57 115.11 118.77 1dm8 h GLN 135 Ca 0.11 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.89 1dm8 h GLN 135 Cb 0.09 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 27.87 1dm8 h GLN 135 CO -0.02 -0.17 -0.18 -0.92 -0.67 0.00 0.00 178.83 176.87 1dm8 h TYR 136 N -0.26 -0.48 0.00 2.96 3.20 -0.49 -1.02 116.97 120.89 1dm8 h TYR 136 Ca 0.09 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 1dm8 h TYR 136 Cb 0.38 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 1dm8 h TYR 136 CO -0.28 -0.26 -0.23 1.88 -1.64 0.00 0.00 178.16 177.62 1dm8 h TYR 137 N -0.22 0.00 -0.57 -3.82 -1.99 -1.02 -1.47 116.97 107.89 1dm8 h TYR 137 Ca 0.11 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.75 1dm8 h TYR 137 Cb 0.38 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.09 1dm8 h TYR 137 CO -0.31 0.23 0.02 0.77 -0.00 0.00 0.00 178.16 178.87 1dm8 h SER 138 N 0.00 0.97 -0.49 3.88 0.02 -0.51 -1.10 113.55 116.32 1dm8 h SER 138 Ca -0.00 -0.30 0.06 0.00 -0.84 0.00 0.00 61.79 60.71 1dm8 h SER 138 Cb 0.42 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 1dm8 h SER 138 CO 0.03 1.03 0.33 0.77 -1.14 0.00 0.00 176.83 177.85 1dm8 h SER 139 N 0.88 0.36 -0.59 3.07 4.64 -0.14 -0.86 113.55 120.91 1dm8 h SER 139 Ca 0.16 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.44 1dm8 h SER 139 Cb 0.52 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 1dm8 h SER 139 CO 0.03 0.24 0.06 2.30 -0.87 0.00 0.00 176.83 178.58 1dm8 n ILE 140 N -4.47 2.78 -2.36 0.95 -5.35 -1.02 -4.93 119.36 104.96 1dm8 n ILE 140 Ca 0.07 -1.50 -0.13 0.00 -0.27 0.00 0.00 62.75 60.91 1dm8 n ILE 140 Cb 0.25 -0.29 -0.01 0.00 -1.74 0.00 0.00 39.64 37.85 1dm8 n ILE 140 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1dm8 n LYS 141 N 0.37 -2.12 -1.35 6.28 4.01 -0.33 -4.86 118.16 120.16 1dm8 n LYS 141 Ca 0.30 0.64 -0.10 0.00 -0.51 0.00 0.00 58.31 58.64 1dm8 n LYS 141 Cb 1.22 -5.21 0.11 0.00 -0.51 0.00 0.00 35.03 30.64 1dm8 n LYS 141 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1dm8 n ARG 142 N -2.74 2.64 -1.77 1.97 5.12 -0.45 -5.03 116.66 116.40 1dm8 n ARG 142 Ca -0.15 -3.75 -0.38 0.00 -1.93 0.00 0.00 57.85 51.63 1dm8 n ARG 142 Cb 0.60 -1.96 0.04 0.00 -1.16 0.00 0.00 32.46 29.99 1dm8 n ARG 142 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1dm8 s SER 143 N -3.42 5.18 -1.94 0.55 0.15 -1.19 -1.87 113.70 111.15 1dm8 s SER 143 Ca 0.45 2.76 0.00 0.00 0.70 0.00 0.00 55.95 59.86 1dm8 s SER 143 Cb 0.39 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 1dm8 s SER 143 CO -0.01 -1.63 0.00 0.61 1.20 0.00 0.00 173.24 173.40 1dm8 n GLY 144 N 0.75 1.74 3.93 9.45 0.00 -1.26 -4.96 105.19 114.83 1dm8 n GLY 144 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1dm8 n GLY 144 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dm8 s SER 145 N -2.59 3.33 0.04 1.61 1.04 -0.78 -4.88 113.70 111.46 1dm8 s SER 145 Ca 0.00 0.33 -0.22 0.00 0.48 0.00 0.00 55.95 56.54 1dm8 s SER 145 Cb 0.00 -0.44 -0.15 0.00 0.10 0.00 0.00 66.02 65.53 1dm8 s SER 145 CO 0.00 -2.60 1.43 -0.61 0.98 0.00 0.00 173.24 172.44 1dm8 h GLN 146 N -1.54 0.20 -0.77 4.02 5.75 -1.93 -2.71 115.11 118.13 1dm8 h GLN 146 Ca -0.44 -0.07 0.12 0.00 -0.15 0.00 0.00 58.65 58.10 1dm8 h GLN 146 Cb 1.25 -0.01 -0.08 0.00 1.07 0.00 0.00 27.48 29.70 1dm8 h GLN 146 CO 0.42 0.49 0.38 0.00 -2.65 0.00 0.00 178.83 177.47 1dm8 h ALA 147 N 0.70 1.10 0.16 3.38 0.00 -1.93 -1.50 119.26 121.17 1dm8 h ALA 147 Ca 0.03 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1dm8 h ALA 147 Cb 0.42 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1dm8 h ALA 147 CO 0.01 -0.07 -0.12 1.25 0.00 0.00 0.00 179.25 180.32 1dm8 h HIS 148 N 0.60 -0.32 -0.71 0.00 -0.00 -1.78 0.14 115.15 113.09 1dm8 h HIS 148 Ca 0.40 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.76 1dm8 h HIS 148 Cb 0.49 0.12 -0.03 0.00 -0.00 0.00 0.00 27.41 27.98 1dm8 h HIS 148 CO -0.11 -0.19 0.40 0.93 -0.00 0.00 0.00 177.93 178.96 1dm8 h GLU 149 N -0.29 0.98 -0.15 5.26 5.08 -1.11 -2.05 114.58 122.29 1dm8 h GLU 149 Ca -0.01 -0.10 -0.18 0.00 -1.00 0.00 0.00 59.36 58.07 1dm8 h GLU 149 Cb 0.26 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1dm8 h GLU 149 CO -0.01 0.71 -0.66 0.93 -1.00 0.00 0.00 179.01 178.99 1dm8 h GLU 150 N 0.99 0.56 -0.57 2.33 5.08 -1.05 -2.63 114.58 119.28 1dm8 h GLU 150 Ca 0.25 -0.41 -0.10 0.00 -1.00 0.00 0.00 59.36 58.11 1dm8 h GLU 150 Cb 0.01 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1dm8 h GLU 150 CO -0.04 1.03 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.87 1dm8 h ARG 151 N 0.40 1.01 -0.71 2.33 9.65 -0.66 -1.35 114.38 125.06 1dm8 h ARG 151 Ca -0.02 -0.33 -0.02 0.00 -1.10 0.00 0.00 59.98 58.52 1dm8 h ARG 151 Cb 1.23 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.69 1dm8 h ARG 151 CO 0.12 1.01 0.38 -0.07 2.80 0.00 0.00 179.97 184.22 1dm8 h LEU 152 N 0.92 0.90 -1.00 3.80 3.38 -1.33 -0.93 115.31 121.05 1dm8 h LEU 152 Ca 0.16 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1dm8 h LEU 152 Cb 0.58 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1dm8 h LEU 152 CO 0.03 0.75 -0.18 1.56 0.09 0.00 0.00 178.44 180.69 1dm8 h GLN 153 N 0.99 0.51 0.23 1.13 4.20 -1.17 -0.90 115.11 120.09 1dm8 h GLN 153 Ca 0.25 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1dm8 h GLN 153 Cb 0.06 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1dm8 h GLN 153 CO -0.04 0.67 -0.11 0.93 -0.67 0.00 0.00 178.83 179.61 1dm8 h GLU 154 N 0.46 -0.29 -0.41 1.46 5.08 -0.72 -0.59 114.58 119.57 1dm8 h GLU 154 Ca 0.08 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.54 1dm8 h GLU 154 Cb 0.58 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.83 1dm8 h GLU 154 CO 0.04 -0.04 -0.04 0.28 -1.00 0.00 0.00 179.01 178.25 1dm8 h VAL 155 N -0.51 0.65 -0.71 3.13 2.07 -0.98 0.89 116.25 120.78 1dm8 h VAL 155 Ca -0.03 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1dm8 h VAL 155 Cb 0.38 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1dm8 h VAL 155 CO 0.05 0.01 0.41 -0.33 0.02 0.00 0.00 177.57 177.73 1dm8 h GLU 156 N 0.07 0.98 -0.50 1.57 5.08 -1.12 -1.32 114.58 119.34 1dm8 h GLU 156 Ca 0.20 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1dm8 h GLU 156 Cb 0.30 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1dm8 h GLU 156 CO -0.37 0.72 0.23 0.00 -1.00 0.00 0.00 179.01 178.59 1dm8 h ALA 157 N 1.21 0.64 -0.36 3.43 0.00 -0.14 -1.10 119.26 122.94 1dm8 h ALA 157 Ca 0.25 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1dm8 h ALA 157 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1dm8 h ALA 157 CO -0.04 0.21 -0.08 1.49 0.00 0.00 0.00 179.25 180.82 1dm8 h GLU 158 N 0.66 0.69 -0.27 0.00 4.81 -0.63 -2.81 114.58 117.03 1dm8 h GLU 158 Ca 0.17 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1dm8 h GLU 158 Cb 0.13 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1dm8 h GLU 158 CO -0.02 0.85 0.04 0.28 -0.73 0.00 0.00 179.01 179.43 1dm8 h VAL 159 N 0.49 1.23 -0.85 0.32 2.07 -1.04 0.85 116.25 119.33 1dm8 h VAL 159 Ca 0.09 -0.79 0.12 0.00 0.82 0.00 0.00 66.70 66.94 1dm8 h VAL 159 Cb 0.59 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 1dm8 h VAL 159 CO 0.04 0.25 0.55 0.00 0.02 0.00 0.00 177.57 178.43 1dm8 h ALA 160 N 0.86 1.79 0.00 1.67 0.00 -1.18 0.56 119.26 122.96 1dm8 h ALA 160 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.72 1dm8 h ALA 160 Cb 0.34 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1dm8 h ALA 160 CO 0.01 0.00 -1.98 0.43 0.00 0.00 0.00 179.25 177.71 1dm8 n SER 161 N -4.53 0.39 -0.00 0.00 7.64 -1.06 -4.64 113.62 111.42 1dm8 n SER 161 Ca 0.15 0.18 0.02 0.00 1.01 0.00 0.00 58.87 60.23 1dm8 n SER 161 Cb 0.40 0.66 -0.02 0.00 -1.01 0.00 0.00 64.21 64.23 1dm8 n SER 161 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1dm8 n THR 162 N -2.80 0.00 -0.74 0.44 -2.24 0.28 -5.01 114.28 104.21 1dm8 n THR 162 Ca -0.21 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1dm8 n THR 162 Cb 1.01 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 1dm8 n THR 162 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dm8 n GLY 163 N 1.74 0.68 2.49 3.38 0.00 0.20 -4.98 105.19 108.69 1dm8 n GLY 163 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1dm8 n GLY 163 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1dm8 n THR 164 N -2.59 0.00 -3.84 2.61 5.66 -1.26 -4.66 114.28 110.21 1dm8 n THR 164 Ca 0.00 -0.55 -0.10 0.00 -3.05 0.00 0.00 64.05 60.35 1dm8 n THR 164 Cb 0.00 0.60 0.01 0.00 -1.55 0.00 0.00 70.33 69.39 1dm8 n THR 164 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1dm8 n TYR 165 N -0.40 -2.04 -4.12 1.09 0.18 -1.26 -2.72 117.16 107.89 1dm8 n TYR 165 Ca -0.04 -1.93 -0.15 0.00 1.88 0.00 0.00 57.90 57.65 1dm8 n TYR 165 Cb 0.39 0.78 -0.12 0.00 -0.38 0.00 0.00 39.34 40.01 1dm8 n TYR 165 CO 0.00 0.00 0.00 -1.01 -2.08 0.00 0.00 176.86 173.77 1dm8 s HIS 166 N -2.63 0.94 0.30 -3.48 3.76 -1.26 -5.04 115.29 107.87 1dm8 s HIS 166 Ca 0.19 -0.49 -0.06 0.00 -0.15 0.00 0.00 55.06 54.55 1dm8 s HIS 166 Cb -0.04 -0.54 -0.06 0.00 1.11 0.00 0.00 32.58 33.06 1dm8 s HIS 166 CO 0.14 -0.02 0.59 -0.51 -0.85 0.00 0.00 174.74 174.09 1dm8 s LEU 167 N -1.69 4.03 0.21 0.89 1.43 -1.26 -5.05 118.68 117.24 1dm8 s LEU 167 Ca -0.06 0.80 -0.13 0.00 -1.03 0.00 0.00 54.13 53.72 1dm8 s LEU 167 Cb -0.10 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.42 1dm8 s LEU 167 CO 0.01 -0.22 0.59 -0.13 0.23 0.00 0.00 176.35 176.83 1dm8 s ARG 168 N -3.53 3.93 0.27 1.70 0.52 -1.26 -4.90 118.95 115.68 1dm8 s ARG 168 Ca 0.45 0.46 -0.03 0.00 -0.52 0.00 0.00 55.73 56.10 1dm8 s ARG 168 Cb -0.11 -2.74 0.57 0.00 0.52 0.00 0.00 34.95 33.19 1dm8 s ARG 168 CO 0.29 0.36 1.64 1.49 0.02 0.00 0.00 175.30 179.11 1dm8 h GLU 169 N 2.96 0.15 -0.20 3.54 4.81 -1.99 0.11 114.58 123.97 1dm8 h GLU 169 Ca -0.48 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.71 1dm8 h GLU 169 Cb 1.18 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1dm8 h GLU 169 CO 0.67 0.10 -0.02 0.66 -0.73 0.00 0.00 179.01 179.69 1dm8 h SER 170 N 0.16 0.27 -0.03 1.04 4.64 -1.99 0.69 113.55 118.32 1dm8 h SER 170 Ca 0.48 -0.04 -0.22 0.00 -0.47 0.00 0.00 61.79 61.54 1dm8 h SER 170 Cb 0.91 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.93 1dm8 h SER 170 CO -0.66 0.34 -0.79 -0.33 -0.87 0.00 0.00 176.83 174.53 1dm8 h GLU 171 N 0.29 0.69 -0.51 4.77 5.08 -1.23 -2.02 114.58 121.66 1dm8 h GLU 171 Ca 0.07 -0.58 -0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1dm8 h GLU 171 Cb 0.23 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1dm8 h GLU 171 CO 0.01 1.19 0.30 1.25 -1.00 0.00 0.00 179.01 180.76 1dm8 h LEU 172 N 0.47 0.61 -0.87 1.33 5.85 -0.42 0.15 115.31 122.42 1dm8 h LEU 172 Ca -0.05 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.63 1dm8 h LEU 172 Cb 1.41 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.23 1dm8 h LEU 172 CO 0.16 0.50 0.57 0.58 -0.34 0.00 0.00 178.44 179.90 1dm8 h VAL 173 N 0.68 1.17 -0.39 1.05 2.07 -0.80 -0.12 116.25 119.91 1dm8 h VAL 173 Ca 0.18 -0.38 -0.14 0.00 0.82 0.00 0.00 66.70 67.18 1dm8 h VAL 173 Cb 0.00 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.71 1dm8 h VAL 173 CO -0.03 0.20 -0.30 0.15 0.02 0.00 0.00 177.57 177.61 1dm8 h PHE 174 N 1.12 1.00 -0.36 1.57 3.57 -0.69 -2.79 116.94 120.34 1dm8 h PHE 174 Ca 0.34 -0.26 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 1dm8 h PHE 174 Cb -0.04 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 1dm8 h PHE 174 CO -0.02 1.04 -0.10 0.78 -2.23 0.00 0.00 178.31 177.79 1dm8 h GLY 175 N 0.90 0.77 0.71 2.40 0.00 -0.19 -1.90 103.07 105.76 1dm8 h GLY 175 Ca 0.08 -0.64 0.01 0.00 0.00 0.00 0.00 47.33 46.77 1dm8 h GLY 175 CO 0.08 0.59 -0.23 0.00 0.00 0.00 0.00 176.54 176.97 1dm8 h ALA 176 N 0.82 -0.46 -0.94 3.60 0.00 -1.03 0.14 119.26 121.40 1dm8 h ALA 176 Ca 0.09 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1dm8 h ALA 176 Cb 0.62 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1dm8 h ALA 176 CO 0.04 -0.79 0.61 0.87 0.00 0.00 0.00 179.25 179.98 1dm8 h LYS 177 N -0.48 1.04 -0.19 0.00 1.57 -1.46 -1.52 116.57 115.53 1dm8 h LYS 177 Ca 0.00 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 1dm8 h LYS 177 Cb 0.46 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1dm8 h LYS 177 CO -0.07 0.69 -0.35 1.96 -0.57 0.00 0.00 179.45 181.11 1dm8 h GLN 178 N 1.07 0.40 -0.43 3.15 1.08 -0.89 -1.46 115.11 118.03 1dm8 h GLN 178 Ca 0.41 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.41 1dm8 h GLN 178 Cb 0.21 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 1dm8 h GLN 178 CO -0.16 0.71 0.21 0.00 -0.95 0.00 0.00 178.83 178.64 1dm8 h ALA 179 N 1.28 0.55 0.02 3.87 0.00 0.03 0.39 119.26 125.40 1dm8 h ALA 179 Ca 0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1dm8 h ALA 179 Cb 0.79 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1dm8 h ALA 179 CO 0.06 0.10 -0.01 2.35 0.00 0.00 0.00 179.25 181.76 1dm8 h TRP 180 N 0.55 -0.02 -0.97 0.00 7.01 -1.26 -2.10 115.95 119.16 1dm8 h TRP 180 Ca 0.15 -0.00 0.18 0.00 2.11 0.00 0.00 58.89 61.33 1dm8 h TRP 180 Cb 0.10 0.01 -0.09 0.00 -2.10 0.00 0.00 29.16 27.08 1dm8 h TRP 180 CO -0.01 0.08 0.61 -0.09 -2.79 0.00 0.00 178.44 176.24 1dm8 h ARG 181 N -0.12 0.66 -0.00 2.65 2.43 -0.94 -0.44 114.38 118.63 1dm8 h ARG 181 Ca -0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1dm8 h ARG 181 Cb 0.11 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1dm8 h ARG 181 CO 0.00 0.44 -0.23 0.09 -1.51 0.00 0.00 179.97 178.77 1dm8 n ASN 182 N -4.66 0.56 -4.57 -3.80 3.02 0.10 -4.84 115.26 101.08 1dm8 n ASN 182 Ca 0.21 -0.45 -0.39 0.00 -0.03 0.00 0.00 54.58 53.92 1dm8 n ASN 182 Cb 0.58 0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.73 1dm8 n ASN 182 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dm8 s ALA 183 N -2.67 2.23 0.54 5.41 0.00 -0.17 -4.74 121.76 122.35 1dm8 s ALA 183 Ca 0.22 0.04 0.20 0.00 0.00 0.00 0.00 51.96 52.42 1dm8 s ALA 183 Cb 0.19 -4.22 1.43 0.00 0.00 0.00 0.00 23.12 20.52 1dm8 s ALA 183 CO 0.55 -3.63 2.18 -1.35 0.00 0.00 0.00 175.76 173.50 1dm8 h PRO 184 N 16.18 0.00 -0.17 0.00 0.11 -1.88 -2.73 132.00 143.51 1dm8 h PRO 184 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1dm8 h PRO 184 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1dm8 h PRO 184 CO 1.11 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.44 1dm8 n ARG 185 N -4.34 1.80 -3.50 1.05 1.74 -1.26 -1.48 116.66 110.67 1dm8 n ARG 185 Ca -0.03 -1.20 -0.39 0.00 -0.77 0.00 0.00 57.85 55.46 1dm8 n ARG 185 Cb 0.10 -1.41 -0.10 0.00 -1.02 0.00 0.00 32.46 30.03 1dm8 n ARG 185 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1dm8 n VAL 187 N 5.11 0.37 -0.91 0.00 3.14 -1.26 -3.93 118.33 120.85 1dm8 n VAL 187 Ca -0.12 -0.22 -0.11 0.00 -2.96 0.00 0.00 64.34 60.93 1dm8 n VAL 187 Cb 0.51 -0.30 0.24 0.00 -1.06 0.00 0.00 33.84 33.23 1dm8 n VAL 187 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1dm8 n GLY 188 N 1.36 3.73 0.00 7.55 0.00 -1.26 -4.43 105.19 112.14 1dm8 n GLY 188 Ca 0.05 -0.93 0.06 0.00 0.00 0.00 0.00 46.02 45.20 1dm8 n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dm8 n ARG 189 N -0.40 0.29 0.05 1.61 1.74 -1.25 -2.38 116.66 116.32 1dm8 n ARG 189 Ca 0.43 0.08 0.09 0.00 -0.77 0.00 0.00 57.85 57.68 1dm8 n ARG 189 Cb 1.40 -1.50 0.38 0.00 -1.02 0.00 0.00 32.46 31.72 1dm8 n ARG 189 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 1dm8 n ILE 190 N -1.13 0.92 0.36 0.55 3.06 -1.26 -1.08 119.36 120.78 1dm8 n ILE 190 Ca 0.08 0.24 0.12 0.00 -2.50 0.00 0.00 62.75 60.68 1dm8 n ILE 190 Cb 0.07 -1.06 0.24 0.00 0.54 0.00 0.00 39.64 39.43 1dm8 n ILE 190 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1dm8 n GLN 191 N -1.79 2.46 -0.05 9.51 1.13 -1.00 -4.65 117.38 122.99 1dm8 n GLN 191 Ca 0.03 -2.20 0.25 0.00 -1.94 0.00 0.00 57.00 53.13 1dm8 n GLN 191 Cb 0.20 -1.51 0.71 0.00 0.11 0.00 0.00 30.24 29.75 1dm8 n GLN 191 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 1dm8 h TRP 192 N 4.27 0.00 0.00 1.08 5.08 -1.30 -0.62 115.95 124.46 1dm8 h TRP 192 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1dm8 h TRP 192 Cb 0.94 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.10 1dm8 h TRP 192 CO 0.25 0.00 -0.27 0.41 -1.28 0.00 0.00 178.44 177.55 1dm8 n GLY 193 N -1.60 -1.38 3.14 11.11 0.00 -1.26 -4.53 105.19 110.67 1dm8 n GLY 193 Ca 0.14 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1dm8 n GLY 193 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1dm8 s LYS 194 N -3.01 2.73 -0.08 1.61 2.20 -0.24 -5.02 119.74 117.93 1dm8 s LYS 194 Ca 0.12 -2.48 -0.03 0.00 -0.36 0.00 0.00 55.97 53.22 1dm8 s LYS 194 Cb 0.18 -3.86 0.05 0.00 -1.51 0.00 0.00 37.83 32.69 1dm8 s LYS 194 CO 0.62 -1.19 0.16 -1.17 -0.36 0.00 0.00 175.35 173.41 1dm8 s LEU 195 N 0.05 0.14 -0.22 5.43 2.96 -1.26 -4.63 118.68 121.15 1dm8 s LEU 195 Ca 0.16 0.33 -0.27 0.00 -0.22 0.00 0.00 54.13 54.14 1dm8 s LEU 195 Cb -0.19 0.31 0.00 0.00 0.50 0.00 0.00 46.19 46.82 1dm8 s LEU 195 CO -0.04 -0.22 0.93 -1.58 -1.32 0.00 0.00 176.35 174.12 1dm8 s GLN 196 N 1.98 4.24 -0.31 1.98 2.00 -0.71 -4.97 119.66 123.86 1dm8 s GLN 196 Ca -0.00 1.16 -0.09 0.00 -2.00 0.00 0.00 55.36 54.42 1dm8 s GLN 196 Cb -0.12 -3.63 -0.00 0.00 0.80 0.00 0.00 33.01 30.05 1dm8 s GLN 196 CO -0.06 -0.54 0.14 0.08 -0.50 0.00 0.00 175.29 174.41 1dm8 s VAL 197 N 2.91 4.51 -0.29 1.34 1.01 -1.26 -1.40 120.40 127.22 1dm8 s VAL 197 Ca 0.40 -0.47 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 1dm8 s VAL 197 Cb -0.15 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1dm8 s VAL 197 CO 0.08 0.06 0.28 -0.36 0.00 0.00 0.00 175.10 175.16 1dm8 s PHE 198 N 1.60 3.23 -0.41 5.22 0.08 0.19 -5.00 117.98 122.89 1dm8 s PHE 198 Ca 0.04 0.16 -0.26 0.00 0.12 0.00 0.00 56.93 57.00 1dm8 s PHE 198 Cb -0.17 -2.50 0.02 0.00 -0.57 0.00 0.00 43.02 39.80 1dm8 s PHE 198 CO 0.06 -0.24 0.95 0.34 -0.10 0.00 0.00 175.22 176.22 1dm8 s ASP 199 N 1.71 6.62 -0.18 1.36 3.68 -1.26 -1.26 116.67 127.33 1dm8 s ASP 199 Ca 0.10 0.42 0.14 0.00 2.13 0.00 0.00 52.55 55.34 1dm8 s ASP 199 Cb -0.16 -2.47 0.38 0.00 -1.45 0.00 0.00 42.92 39.22 1dm8 s ASP 199 CO 0.11 -0.96 1.20 0.00 0.13 0.00 0.00 175.17 175.65 1dm8 n ALA 200 N 7.00 3.21 0.91 3.66 0.00 -0.23 -4.70 120.51 130.36 1dm8 n ALA 200 Ca 0.07 -3.08 0.09 0.00 0.00 0.00 0.00 53.44 50.53 1dm8 n ALA 200 Cb 0.48 -0.37 0.47 0.00 0.00 0.00 0.00 19.45 20.04 1dm8 n ALA 200 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1dm8 n ARG 201 N -1.22 0.31 -0.97 0.00 1.74 -1.08 -2.45 116.66 112.99 1dm8 n ARG 201 Ca 0.18 0.10 -0.16 0.00 -0.77 0.00 0.00 57.85 57.20 1dm8 n ARG 201 Cb 0.68 -1.50 0.18 0.00 -1.02 0.00 0.00 32.46 30.80 1dm8 n ARG 201 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1dm8 n ASP 202 N -1.24 3.84 -4.75 0.55 5.68 -1.26 -4.55 116.55 114.82 1dm8 n ASP 202 Ca 0.09 -3.24 -0.36 0.00 -0.50 0.00 0.00 54.79 50.78 1dm8 n ASP 202 Cb 0.13 -0.76 -0.07 0.00 -1.14 0.00 0.00 41.12 39.28 1dm8 n ASP 202 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1dm8 n SER 204 N 3.25 0.90 -3.61 0.00 3.41 -1.26 -4.79 113.62 111.52 1dm8 n SER 204 Ca -0.13 -1.37 -0.12 0.00 -0.26 0.00 0.00 58.87 56.98 1dm8 n SER 204 Cb 0.52 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.42 1dm8 n SER 204 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1dm8 s SER 205 N -0.37 -0.33 0.21 4.04 1.04 -1.26 -4.99 113.70 112.03 1dm8 s SER 205 Ca 0.00 -0.09 -0.10 0.00 0.48 0.00 0.00 55.95 56.25 1dm8 s SER 205 Cb 0.00 0.48 0.15 0.00 0.10 0.00 0.00 66.02 66.75 1dm8 s SER 205 CO 0.00 -0.79 1.84 0.00 0.98 0.00 0.00 173.24 175.27 1dm8 h ALA 206 N 2.59 0.97 -0.85 5.32 0.00 -1.92 -1.29 119.26 124.08 1dm8 h ALA 206 Ca -0.33 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.53 1dm8 h ALA 206 Cb 1.24 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1dm8 h ALA 206 CO 0.44 0.46 0.56 0.37 0.00 0.00 0.00 179.25 181.07 1dm8 h GLN 207 N 1.04 0.97 -0.35 0.00 5.75 -1.96 -0.08 115.11 120.47 1dm8 h GLN 207 Ca 0.27 -0.06 -0.15 0.00 -0.15 0.00 0.00 58.65 58.56 1dm8 h GLN 207 Cb -0.00 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.32 1dm8 h GLN 207 CO -0.05 0.64 -0.38 0.93 -2.65 0.00 0.00 178.83 177.32 1dm8 h GLU 208 N 0.99 0.84 -0.87 1.69 5.08 -1.77 -2.57 114.58 117.97 1dm8 h GLU 208 Ca 0.35 -0.43 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1dm8 h GLU 208 Cb 0.13 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 1dm8 h GLU 208 CO -0.12 1.07 0.57 0.52 -1.00 0.00 0.00 179.01 180.05 1dm8 h MET 209 N 0.69 1.08 -0.80 2.33 2.86 -0.05 -1.05 114.93 119.98 1dm8 h MET 209 Ca 0.06 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1dm8 h MET 209 Cb 0.95 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 32.33 1dm8 h MET 209 CO 0.09 0.72 0.42 0.35 1.06 0.00 0.00 176.91 179.55 1dm8 h PHE 210 N 1.12 1.10 -0.26 -0.22 3.04 -0.79 0.14 116.94 121.07 1dm8 h PHE 210 Ca 0.34 -0.03 -0.07 0.00 3.98 0.00 0.00 57.97 62.19 1dm8 h PHE 210 Cb -0.02 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 38.13 1dm8 h PHE 210 CO -0.02 0.77 -0.13 1.15 -2.02 0.00 0.00 178.31 178.07 1dm8 h THR 211 N 1.12 1.30 0.10 4.41 2.02 -1.01 -0.51 112.91 120.35 1dm8 h THR 211 Ca 0.28 -1.22 0.01 0.00 0.77 0.00 0.00 66.41 66.25 1dm8 h THR 211 Cb 0.05 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1dm8 h THR 211 CO -0.04 0.38 -0.12 1.88 0.37 0.00 0.00 175.52 177.99 1dm8 h TYR 212 N 0.27 -0.31 -0.87 3.16 -1.99 -0.77 -1.59 116.97 114.86 1dm8 h TYR 212 Ca 0.06 0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.88 1dm8 h TYR 212 Cb 0.64 0.13 -0.06 0.00 2.00 0.00 0.00 36.73 39.44 1dm8 h TYR 212 CO 0.06 -0.19 0.56 0.82 -0.00 0.00 0.00 178.16 179.42 1dm8 h ILE 213 N -0.26 0.97 -0.57 -2.88 2.04 -0.65 -0.57 117.51 115.60 1dm8 h ILE 213 Ca 0.01 -0.30 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 1dm8 h ILE 213 Cb 0.26 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 1dm8 h ILE 213 CO -0.05 0.16 0.01 0.00 0.00 0.00 0.00 178.15 178.27 1dm8 h ASN 215 N 0.88 1.04 -0.46 0.00 2.35 -0.30 -1.76 115.58 117.33 1dm8 h ASN 215 Ca 0.16 -0.33 0.03 0.00 -0.55 0.00 0.00 56.30 55.62 1dm8 h ASN 215 Cb 0.53 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.58 1dm8 h ASN 215 CO 0.03 1.13 0.25 -0.74 -1.65 0.00 0.00 177.43 176.44 1dm8 h HIS 216 N 0.95 0.46 -0.52 1.19 2.76 -0.90 -0.98 115.15 118.11 1dm8 h HIS 216 Ca 0.16 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.33 1dm8 h HIS 216 Cb 0.63 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.43 1dm8 h HIS 216 CO 0.04 0.24 0.27 0.82 -1.30 0.00 0.00 177.93 178.01 1dm8 h ILE 217 N 0.49 1.18 -0.75 6.26 2.04 -1.00 0.34 117.51 126.08 1dm8 h ILE 217 Ca 0.19 -0.49 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 1dm8 h ILE 217 Cb 0.07 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 1dm8 h ILE 217 CO -0.12 0.20 0.23 0.11 0.00 0.00 0.00 178.15 178.58 1dm8 h LYS 218 N 0.69 1.16 0.05 2.37 1.57 -0.91 -1.00 116.57 120.50 1dm8 h LYS 218 Ca 0.18 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1dm8 h LYS 218 Cb 0.08 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1dm8 h LYS 218 CO -0.03 0.99 -0.02 -0.92 -0.57 0.00 0.00 179.45 178.90 1dm8 h TYR 219 N 1.11 -0.06 -0.55 -1.35 5.03 -0.96 -2.58 116.97 117.61 1dm8 h TYR 219 Ca 0.24 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.53 1dm8 h TYR 219 Cb 0.31 0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.58 1dm8 h TYR 219 CO 0.03 0.33 0.26 0.00 -1.32 0.00 0.00 178.16 177.46 1dm8 h ALA 220 N 0.45 0.71 -0.19 1.82 0.00 -0.89 -3.09 119.26 118.07 1dm8 h ALA 220 Ca -0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1dm8 h ALA 220 Cb 0.42 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1dm8 h ALA 220 CO 0.01 0.28 0.01 1.15 0.00 0.00 0.00 179.25 180.70 1dm8 h THR 221 N 0.75 1.24 -6.67 0.00 2.02 -1.26 -1.49 112.91 107.50 1dm8 h THR 221 Ca 0.19 -0.80 -0.53 0.00 0.77 0.00 0.00 66.41 66.03 1dm8 h THR 221 Cb 0.12 1.41 -0.10 0.00 -1.74 0.00 0.00 68.15 67.84 1dm8 h THR 221 CO -0.02 0.24 -0.91 -3.20 0.37 0.00 0.00 175.52 172.00 1dm8 n ASN 222 N -4.73 -0.05 -2.12 4.18 4.05 -0.97 -1.01 115.26 114.62 1dm8 n ASN 222 Ca -0.05 -1.08 -0.16 0.00 0.45 0.00 0.00 54.58 53.74 1dm8 n ASN 222 Cb 0.21 -2.64 -0.03 0.00 1.23 0.00 0.00 39.78 38.55 1dm8 n ASN 222 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1dm8 n ARG 223 N -4.45 -1.80 0.00 1.20 5.12 -1.26 -1.70 116.66 113.77 1dm8 n ARG 223 Ca -0.30 0.82 0.00 0.00 -1.93 0.00 0.00 57.85 56.43 1dm8 n ARG 223 Cb 0.68 -5.34 0.00 0.00 -1.16 0.00 0.00 32.46 26.64 1dm8 n ARG 223 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1dm8 n GLY 224 N -0.70 2.12 2.85 -0.13 0.00 -0.18 -4.92 105.19 104.24 1dm8 n GLY 224 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1dm8 n GLY 224 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1dm8 n ASN 225 N 0.00 6.59 -4.49 1.61 4.05 -0.69 -1.23 115.26 121.10 1dm8 n ASN 225 Ca 0.00 -3.42 -0.46 0.00 0.45 0.00 0.00 54.58 51.15 1dm8 n ASN 225 Cb 0.00 -1.28 -0.02 0.00 1.23 0.00 0.00 39.78 39.71 1dm8 n ASN 225 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1dm8 n LEU 226 N 1.37 0.19 -3.93 1.20 4.32 -1.20 -4.60 117.00 114.35 1dm8 n LEU 226 Ca 0.36 1.13 -0.20 0.00 -0.02 0.00 0.00 56.01 57.28 1dm8 n LEU 226 Cb 0.31 -1.11 -0.16 0.00 -1.62 0.00 0.00 43.42 40.84 1dm8 n LEU 226 CO 0.69 -2.29 -0.42 -0.13 -1.22 0.00 0.00 177.39 174.03 1dm8 s ARG 227 N -1.30 0.88 0.24 3.23 0.52 -0.56 -5.00 118.95 116.96 1dm8 s ARG 227 Ca 0.61 -0.17 -0.30 0.00 -0.52 0.00 0.00 55.73 55.36 1dm8 s ARG 227 Cb -0.80 -0.85 -0.09 0.00 0.52 0.00 0.00 34.95 33.73 1dm8 s ARG 227 CO 0.58 -0.02 1.34 -1.12 0.02 0.00 0.00 175.30 176.10 1dm8 s SER 228 N 0.68 6.81 0.17 0.23 0.01 -1.26 -4.44 113.70 115.90 1dm8 s SER 228 Ca -0.10 2.54 -0.15 0.00 1.31 0.00 0.00 55.95 59.55 1dm8 s SER 228 Cb -0.13 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.51 1dm8 s SER 228 CO 0.01 -0.57 0.44 0.00 0.41 0.00 0.00 173.24 173.52 1dm8 s ALA 229 N -0.20 -0.77 -0.09 1.44 0.00 0.33 -1.74 121.76 120.73 1dm8 s ALA 229 Ca 0.56 -0.28 -0.11 0.00 0.00 0.00 0.00 51.96 52.13 1dm8 s ALA 229 Cb -0.39 0.80 0.03 0.00 0.00 0.00 0.00 23.12 23.56 1dm8 s ALA 229 CO 0.43 -0.72 0.30 -1.50 0.00 0.00 0.00 175.76 174.26 1dm8 s ILE 230 N -3.87 0.01 -0.09 0.00 2.07 -0.49 -0.06 121.20 118.78 1dm8 s ILE 230 Ca 0.08 -0.12 0.04 0.00 -1.41 0.00 0.00 60.65 59.25 1dm8 s ILE 230 Cb 0.01 -0.46 -0.00 0.00 0.13 0.00 0.00 42.46 42.13 1dm8 s ILE 230 CO -0.06 -0.07 -0.24 -0.89 -1.91 0.00 0.00 174.94 171.78 1dm8 s THR 231 N -0.19 2.08 -0.30 4.00 2.01 -0.44 -0.63 115.64 122.17 1dm8 s THR 231 Ca -0.03 -1.02 -0.04 0.00 0.31 0.00 0.00 61.69 60.90 1dm8 s THR 231 Cb -0.03 -1.78 0.03 0.00 0.01 0.00 0.00 72.50 70.73 1dm8 s THR 231 CO 0.01 0.56 0.04 -0.69 -0.69 0.00 0.00 174.62 173.85 1dm8 s VAL 232 N 0.21 3.43 0.68 3.82 1.01 -0.39 -2.93 120.40 126.22 1dm8 s VAL 232 Ca -0.15 -1.07 -0.05 0.00 0.00 0.00 0.00 61.98 60.70 1dm8 s VAL 232 Cb -0.17 -2.87 0.06 0.00 0.00 0.00 0.00 36.38 33.40 1dm8 s VAL 232 CO 0.08 -0.02 0.98 -0.36 0.00 0.00 0.00 175.10 175.77 1dm8 s PHE 233 N 1.37 2.90 0.16 5.22 0.08 -0.15 -1.06 117.98 126.49 1dm8 s PHE 233 Ca -0.01 0.37 -0.33 0.00 0.12 0.00 0.00 56.93 57.08 1dm8 s PHE 233 Cb -0.18 -3.13 -0.16 0.00 -0.57 0.00 0.00 43.02 38.97 1dm8 s PHE 233 CO 0.00 -1.34 1.09 -2.30 -0.10 0.00 0.00 175.22 172.58 1dm8 n PRO 234 N -2.84 0.95 -0.87 0.24 -0.02 -1.26 -4.70 135.00 126.50 1dm8 n PRO 234 Ca 0.08 0.34 -0.31 0.00 -2.02 0.00 0.00 63.50 61.59 1dm8 n PRO 234 Cb 0.60 -1.78 0.15 0.00 -0.02 0.00 0.00 33.50 32.45 1dm8 n PRO 234 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1dm8 s GLN 235 N -0.44 1.24 0.67 -0.52 -2.07 -1.26 -4.54 119.66 112.74 1dm8 s GLN 235 Ca 0.74 1.36 -0.15 0.00 -1.82 0.00 0.00 55.36 55.49 1dm8 s GLN 235 Cb -0.90 -1.77 0.01 0.00 -1.09 0.00 0.00 33.01 29.26 1dm8 s GLN 235 CO 0.53 -2.41 1.12 1.03 -1.32 0.00 0.00 175.29 174.24 1dm8 s ARG 236 N -4.72 2.72 -0.00 9.60 0.52 0.96 -4.93 118.95 123.09 1dm8 s ARG 236 Ca 0.65 1.40 0.01 0.00 -0.52 0.00 0.00 55.73 57.27 1dm8 s ARG 236 Cb -0.21 -1.94 -0.00 0.00 0.52 0.00 0.00 34.95 33.32 1dm8 s ARG 236 CO 0.58 -1.32 -0.02 0.00 0.02 0.00 0.00 175.30 174.56 1dm8 s ALA 237 N -2.35 0.20 0.16 2.13 0.00 -1.26 -4.81 121.76 115.83 1dm8 s ALA 237 Ca 0.67 -0.09 -0.34 0.00 0.00 0.00 0.00 51.96 52.21 1dm8 s ALA 237 Cb -0.21 -0.06 -0.15 0.00 0.00 0.00 0.00 23.12 22.70 1dm8 s ALA 237 CO 0.43 0.04 1.39 -2.30 0.00 0.00 0.00 175.76 175.32 1dm8 n PRO 238 N 3.08 1.65 -0.68 0.00 -0.02 -1.25 -2.07 135.00 135.70 1dm8 n PRO 238 Ca -0.13 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1dm8 n PRO 238 Cb 0.59 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1dm8 n PRO 238 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dm8 n GLY 239 N 2.59 0.54 3.40 -1.23 0.00 0.41 -4.88 105.19 106.02 1dm8 n GLY 239 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1dm8 n GLY 239 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1dm8 s ARG 240 N -0.49 1.88 0.91 1.61 3.52 -0.88 -4.97 118.95 120.53 1dm8 s ARG 240 Ca 0.00 -1.08 -0.10 0.00 -0.13 0.00 0.00 55.73 54.42 1dm8 s ARG 240 Cb 0.00 -2.07 0.14 0.00 -1.56 0.00 0.00 34.95 31.46 1dm8 s ARG 240 CO 0.00 0.52 1.15 0.20 -0.81 0.00 0.00 175.30 176.35 1dm8 s GLY 241 N -1.44 1.69 0.38 8.12 0.00 -1.26 -4.49 107.32 110.32 1dm8 s GLY 241 Ca 0.13 0.58 -0.10 0.00 0.00 0.00 0.00 44.72 45.33 1dm8 s GLY 241 CO 0.04 0.99 0.74 0.99 0.00 0.00 0.00 173.10 175.87 1dm8 s ASP 242 N -2.70 6.54 0.06 1.64 -0.00 -1.26 -4.52 116.67 116.43 1dm8 s ASP 242 Ca 0.67 1.10 -0.26 0.00 -0.00 0.00 0.00 52.55 54.06 1dm8 s ASP 242 Cb -0.23 -2.31 -0.06 0.00 -0.00 0.00 0.00 42.92 40.33 1dm8 s ASP 242 CO 0.58 -0.35 0.81 -0.36 -0.00 0.00 0.00 175.17 175.85 1dm8 s PHE 243 N -2.29 3.76 0.03 4.23 0.40 -1.26 -3.88 117.98 118.96 1dm8 s PHE 243 Ca 0.51 1.55 -0.09 0.00 -0.60 0.00 0.00 56.93 58.30 1dm8 s PHE 243 Cb -0.10 -2.87 0.00 0.00 0.51 0.00 0.00 43.02 40.56 1dm8 s PHE 243 CO 0.29 0.26 0.18 1.03 0.70 0.00 0.00 175.22 177.68 1dm8 s ARG 244 N -0.07 0.64 -0.28 0.44 1.81 -0.44 -3.71 118.95 117.34 1dm8 s ARG 244 Ca 0.40 -0.58 -0.01 0.00 -1.72 0.00 0.00 55.73 53.82 1dm8 s ARG 244 Cb -0.21 0.26 0.04 0.00 -0.45 0.00 0.00 34.95 34.59 1dm8 s ARG 244 CO 0.25 -0.17 -0.03 0.42 -0.68 0.00 0.00 175.30 175.08 1dm8 s ILE 245 N -2.26 2.90 0.20 1.52 1.01 -1.26 -1.01 121.20 122.30 1dm8 s ILE 245 Ca -0.07 -1.25 -0.09 0.00 0.00 0.00 0.00 60.65 59.24 1dm8 s ILE 245 Cb -0.03 -2.59 0.13 0.00 0.01 0.00 0.00 42.46 39.99 1dm8 s ILE 245 CO -0.02 0.02 1.75 -0.50 0.00 0.00 0.00 174.94 176.19 1dm8 h TRP 246 N 7.99 1.17 -3.97 3.97 4.06 -1.65 -3.42 115.95 124.09 1dm8 h TRP 246 Ca -0.26 -0.11 -0.54 0.00 2.06 0.00 0.00 58.89 60.05 1dm8 h TRP 246 Cb 1.08 -0.34 0.10 0.00 -1.00 0.00 0.00 29.16 29.00 1dm8 h TRP 246 CO 0.60 0.91 0.67 -0.80 -3.56 0.00 0.00 178.44 176.26 1dm8 s ASN 247 N -6.35 6.06 0.30 -3.49 -0.87 -1.26 -4.93 114.94 104.40 1dm8 s ASN 247 Ca -0.12 2.81 0.12 0.00 -1.57 0.00 0.00 52.86 54.10 1dm8 s ASN 247 Cb 0.15 -2.65 0.44 0.00 -0.02 0.00 0.00 41.25 39.17 1dm8 s ASN 247 CO 0.84 -1.04 1.65 0.77 -2.57 0.00 0.00 177.10 176.74 1dm8 h SER 248 N 2.47 0.00 -4.98 -1.22 4.64 -1.90 -3.36 113.55 109.21 1dm8 h SER 248 Ca -0.50 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.64 1dm8 h SER 248 Cb 1.26 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.15 1dm8 h SER 248 CO 0.62 0.56 -0.70 -1.10 -0.87 0.00 0.00 176.83 175.33 1dm8 s GLN 249 N -3.62 0.45 0.34 4.77 -0.21 -1.26 -0.46 119.66 119.66 1dm8 s GLN 249 Ca -0.01 -0.82 0.06 0.00 0.02 0.00 0.00 55.36 54.61 1dm8 s GLN 249 Cb 0.12 0.04 0.62 0.00 1.00 0.00 0.00 33.01 34.79 1dm8 s GLN 249 CO 0.74 -0.04 1.84 -0.07 -2.12 0.00 0.00 175.29 175.64 1dm8 h LEU 250 N 4.18 0.35 -8.33 2.90 3.38 -1.59 -3.39 115.31 112.81 1dm8 h LEU 250 Ca -0.33 -0.09 -0.67 0.00 0.09 0.00 0.00 57.88 56.88 1dm8 h LEU 250 Cb 1.19 -0.09 -0.31 0.00 0.09 0.00 0.00 40.66 41.54 1dm8 h LEU 250 CO 0.48 0.53 -0.80 -0.69 0.09 0.00 0.00 178.44 178.05 1dm8 s VAL 251 N -4.67 2.65 -0.06 1.22 1.01 -1.26 -4.92 120.40 114.37 1dm8 s VAL 251 Ca -0.06 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 1dm8 s VAL 251 Cb 0.15 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.42 1dm8 s VAL 251 CO 0.76 0.51 0.23 -0.13 0.00 0.00 0.00 175.10 176.47 1dm8 s ARG 252 N 0.95 0.37 -0.09 2.72 1.81 -1.26 -4.93 118.95 118.51 1dm8 s ARG 252 Ca -0.03 0.13 -0.15 0.00 -1.72 0.00 0.00 55.73 53.96 1dm8 s ARG 252 Cb -0.15 0.17 -0.05 0.00 -0.45 0.00 0.00 34.95 34.47 1dm8 s ARG 252 CO -0.02 -0.07 0.38 0.71 -0.68 0.00 0.00 175.30 175.61 1dm8 s TYR 253 N -0.35 3.57 0.66 -0.53 2.02 -1.26 -1.17 117.35 120.29 1dm8 s TYR 253 Ca -0.05 0.81 -0.17 0.00 -0.37 0.00 0.00 57.07 57.29 1dm8 s TYR 253 Cb -0.03 -2.36 -0.01 0.00 -0.40 0.00 0.00 41.96 39.15 1dm8 s TYR 253 CO 0.01 0.38 1.10 0.00 -1.57 0.00 0.00 175.55 175.47 1dm8 n ALA 254 N 2.95 0.45 -3.84 3.71 0.00 0.24 -4.11 120.51 119.91 1dm8 n ALA 254 Ca -0.12 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 52.97 1dm8 n ALA 254 Cb 0.52 -2.20 -0.16 0.00 0.00 0.00 0.00 19.45 17.61 1dm8 n ALA 254 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1dm8 s GLY 255 N -1.44 1.09 -0.25 0.00 0.00 -1.25 -1.39 107.32 104.08 1dm8 s GLY 255 Ca 0.78 -1.26 -0.10 0.00 0.00 0.00 0.00 44.72 44.14 1dm8 s GLY 255 CO 0.45 1.23 0.16 -0.19 0.00 0.00 0.00 173.10 174.75 1dm8 s TYR 256 N 1.57 3.26 -0.31 1.90 1.51 0.10 -4.21 117.35 121.17 1dm8 s TYR 256 Ca -0.00 0.13 -0.29 0.00 -1.01 0.00 0.00 57.07 55.90 1dm8 s TYR 256 Cb -0.18 -2.30 0.01 0.00 -0.11 0.00 0.00 41.96 39.38 1dm8 s TYR 256 CO -0.11 -0.04 1.25 1.03 -1.11 0.00 0.00 175.55 176.57 1dm8 s ARG 257 N 1.31 3.93 0.00 -0.62 0.52 -1.26 -0.58 118.95 122.24 1dm8 s ARG 257 Ca 0.07 1.17 0.00 0.00 -0.52 0.00 0.00 55.73 56.45 1dm8 s ARG 257 Cb -0.14 -3.85 0.00 0.00 0.52 0.00 0.00 34.95 31.47 1dm8 s ARG 257 CO 0.06 -1.10 0.00 1.04 0.02 0.00 0.00 175.30 175.33 1dm8 n GLN 258 N 7.26 2.22 0.00 3.54 6.02 -0.98 -4.98 117.38 130.45 1dm8 n GLN 258 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1dm8 n GLN 258 Cb 0.47 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.73 1dm8 n GLN 258 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1dm8 n GLN 259 N -0.31 0.00 -0.85 -1.09 6.02 -1.26 -2.57 117.38 117.32 1dm8 n GLN 259 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 1dm8 n GLN 259 Cb 0.00 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.25 1dm8 n GLN 259 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1dm8 n ASP 260 N 0.00 5.99 0.00 1.08 5.75 -1.26 -4.74 116.55 123.37 1dm8 n ASP 260 Ca 0.00 -2.81 0.00 0.00 -0.01 0.00 0.00 54.79 51.97 1dm8 n ASP 260 Cb 0.00 -1.14 0.00 0.00 -1.03 0.00 0.00 41.12 38.95 1dm8 n ASP 260 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dm8 n GLY 261 N 1.00 1.99 3.61 6.12 0.00 -1.06 -5.02 105.19 111.83 1dm8 n GLY 261 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 1dm8 n GLY 261 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dm8 s SER 262 N -3.46 2.13 -0.04 1.61 1.04 -1.26 -4.82 113.70 108.91 1dm8 s SER 262 Ca 0.00 1.48 0.03 0.00 0.48 0.00 0.00 55.95 57.93 1dm8 s SER 262 Cb 0.00 -2.17 0.01 0.00 0.10 0.00 0.00 66.02 63.96 1dm8 s SER 262 CO 0.00 -3.48 -0.10 -0.69 0.98 0.00 0.00 173.24 169.95 1dm8 s VAL 263 N -2.72 0.92 -0.19 5.02 1.01 -1.26 -2.32 120.40 120.85 1dm8 s VAL 263 Ca 0.66 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 62.11 1dm8 s VAL 263 Cb -0.21 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 1dm8 s VAL 263 CO 0.60 0.29 0.22 -0.60 0.00 0.00 0.00 175.10 175.62 1dm8 s ARG 264 N 0.34 4.20 0.22 2.72 3.52 0.25 -4.91 118.95 125.29 1dm8 s ARG 264 Ca -0.06 -0.06 0.00 0.00 -0.13 0.00 0.00 55.73 55.47 1dm8 s ARG 264 Cb -0.11 -3.45 0.00 0.00 -1.56 0.00 0.00 34.95 29.83 1dm8 s ARG 264 CO 0.01 0.20 0.00 0.41 -0.81 0.00 0.00 175.30 175.12 1dm8 n GLY 265 N 3.64 0.19 3.51 8.12 0.00 -1.26 0.03 105.19 119.42 1dm8 n GLY 265 Ca -0.13 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 1dm8 n GLY 265 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dm8 s ASP 266 N -4.00 6.27 0.64 1.61 3.68 -0.48 -4.77 116.67 119.62 1dm8 s ASP 266 Ca 0.00 -0.45 0.34 0.00 2.13 0.00 0.00 52.55 54.57 1dm8 s ASP 266 Cb 0.00 -2.27 1.88 0.00 -1.45 0.00 0.00 42.92 41.07 1dm8 s ASP 266 CO 0.00 -0.66 2.11 -0.65 0.13 0.00 0.00 175.17 176.10 1dm8 h PRO 267 N 8.77 0.00 0.00 4.34 0.11 -1.81 -1.07 132.00 142.34 1dm8 h PRO 267 Ca -0.26 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.81 1dm8 h PRO 267 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1dm8 h PRO 267 CO 0.84 0.00 -0.19 0.00 -0.21 0.00 0.00 178.00 178.43 1dm8 h ALA 268 N 1.68 0.95 -0.57 -0.75 0.00 -1.93 -3.24 119.26 115.41 1dm8 h ALA 268 Ca 0.04 -0.18 -0.28 0.00 0.00 0.00 0.00 54.91 54.49 1dm8 h ALA 268 Cb 0.43 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.02 1dm8 h ALA 268 CO -0.00 0.24 0.17 0.09 0.00 0.00 0.00 179.25 179.75 1dm8 n ASN 269 N -3.26 3.05 0.16 0.00 3.02 -0.40 -4.68 115.26 113.14 1dm8 n ASN 269 Ca 0.01 -3.67 -0.14 0.00 -0.03 0.00 0.00 54.58 50.76 1dm8 n ASN 269 Cb 0.48 -0.70 -0.08 0.00 -0.61 0.00 0.00 39.78 38.87 1dm8 n ASN 269 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1dm8 h VAL 270 N 1.13 0.77 0.14 2.41 2.07 -1.66 -1.48 116.25 119.63 1dm8 h VAL 270 Ca 0.34 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1dm8 h VAL 270 Cb 2.06 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 1dm8 h VAL 270 CO 0.62 0.07 -0.24 -0.08 0.02 0.00 0.00 177.57 177.97 1dm8 h GLU 271 N -0.55 -0.43 -0.57 1.57 4.81 -1.88 -0.39 114.58 117.15 1dm8 h GLU 271 Ca -0.04 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1dm8 h GLU 271 Cb 0.40 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1dm8 h GLU 271 CO 0.06 -0.29 0.25 0.97 -0.73 0.00 0.00 179.01 179.28 1dm8 h ILE 272 N -0.45 1.19 -0.77 2.32 6.09 -1.89 -0.94 117.51 123.07 1dm8 h ILE 272 Ca 0.02 -0.57 -0.02 0.00 -1.37 0.00 0.00 64.86 62.92 1dm8 h ILE 272 Cb 0.46 0.49 -0.04 0.00 0.47 0.00 0.00 36.82 38.20 1dm8 h ILE 272 CO -0.12 0.23 0.40 0.74 -3.07 0.00 0.00 178.15 176.34 1dm8 h THR 273 N 0.80 1.24 -0.40 2.19 2.02 -0.87 -1.49 112.91 116.40 1dm8 h THR 273 Ca 0.20 -0.62 -0.09 0.00 0.77 0.00 0.00 66.41 66.67 1dm8 h THR 273 Cb 0.11 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 1dm8 h THR 273 CO -0.02 0.27 -0.12 -0.33 0.37 0.00 0.00 175.52 175.69 1dm8 h GLU 274 N 1.07 0.70 -0.37 6.66 5.08 -0.05 -2.49 114.58 125.18 1dm8 h GLU 274 Ca 0.27 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 1dm8 h GLU 274 Cb 0.07 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1dm8 h GLU 274 CO -0.04 0.80 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.62 1dm8 h LEU 275 N 0.64 0.71 -0.82 1.33 3.38 -0.81 -1.84 115.31 117.89 1dm8 h LEU 275 Ca 0.11 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.76 1dm8 h LEU 275 Cb 0.57 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1dm8 h LEU 275 CO 0.04 0.90 0.52 0.00 0.09 0.00 0.00 178.44 179.99 1dm8 h ILE 277 N 1.00 1.21 -0.01 0.00 2.04 -1.32 -0.54 117.51 119.90 1dm8 h ILE 277 Ca 0.34 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1dm8 h ILE 277 Cb 0.05 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1dm8 h ILE 277 CO -0.13 0.24 0.01 -0.61 0.00 0.00 0.00 178.15 177.65 1dm8 h GLN 278 N 0.36 0.00 -0.85 2.37 4.15 -0.74 -1.26 115.11 119.15 1dm8 h GLN 278 Ca 0.10 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.31 1dm8 h GLN 278 Cb 0.27 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 27.84 1dm8 h GLN 278 CO -0.00 0.00 0.27 0.72 -1.93 0.00 0.00 178.83 177.89 1dm8 n HIS 279 N -4.49 2.00 -0.06 3.99 8.25 -0.45 -4.90 115.22 119.56 1dm8 n HIS 279 Ca -0.03 -1.07 0.00 0.00 -0.26 0.00 0.00 57.72 56.36 1dm8 n HIS 279 Cb 0.10 -0.61 0.00 0.00 1.12 0.00 0.00 29.99 30.59 1dm8 n HIS 279 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dm8 n GLY 280 N -0.18 0.46 3.73 -1.41 0.00 -0.48 -4.82 105.19 102.50 1dm8 n GLY 280 Ca 0.34 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 1dm8 n GLY 280 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1dm8 s TRP 281 N -2.15 3.41 -0.59 1.61 -0.00 -0.25 -4.96 118.94 116.00 1dm8 s TRP 281 Ca 0.00 1.34 -0.22 0.00 -0.00 0.00 0.00 56.10 57.22 1dm8 s TRP 281 Cb 0.00 -3.45 0.06 0.00 -0.00 0.00 0.00 33.47 30.08 1dm8 s TRP 281 CO 0.00 -1.35 0.87 0.99 -0.00 0.00 0.00 176.95 177.46 1dm8 s THR 282 N 0.36 4.49 0.87 5.86 2.01 -1.26 -4.40 115.64 123.57 1dm8 s THR 282 Ca 0.56 -0.26 -0.11 0.00 0.31 0.00 0.00 61.69 62.18 1dm8 s THR 282 Cb -0.32 -4.56 0.12 0.00 0.01 0.00 0.00 72.50 67.76 1dm8 s THR 282 CO 0.34 -1.21 1.17 -2.16 -0.69 0.00 0.00 174.62 172.07 1dm8 s PRO 283 N 3.64 1.23 0.00 4.92 0.04 -1.26 -5.07 135.00 138.51 1dm8 s PRO 283 Ca 0.22 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1dm8 s PRO 283 Cb -0.17 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1dm8 s PRO 283 CO 0.13 -2.49 0.00 0.41 0.04 0.00 0.00 177.00 175.09 1dm8 n GLY 284 N 0.33 2.33 1.40 0.56 0.00 -1.26 -5.07 105.19 103.48 1dm8 n GLY 284 Ca 0.13 -2.08 0.02 0.00 0.00 0.00 0.00 46.02 44.09 1dm8 n GLY 284 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1dm8 n ASN 285 N -1.19 0.67 -3.63 1.61 0.23 -1.26 -5.07 115.26 106.61 1dm8 n ASN 285 Ca 0.00 -2.00 -0.11 0.00 -0.53 0.00 0.00 54.58 51.94 1dm8 n ASN 285 Cb 0.00 -0.20 0.04 0.00 -2.08 0.00 0.00 39.78 37.53 1dm8 n ASN 285 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1dm8 n GLY 286 N 0.41 2.01 0.05 4.83 0.00 -1.26 -5.04 105.19 106.19 1dm8 n GLY 286 Ca 0.01 -2.19 0.11 0.00 0.00 0.00 0.00 46.02 43.95 1dm8 n GLY 286 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1dm8 n ARG 287 N -1.67 0.63 -2.73 1.61 0.63 -1.26 -4.22 116.66 109.65 1dm8 n ARG 287 Ca 0.08 -0.08 -0.18 0.00 -0.92 0.00 0.00 57.85 56.76 1dm8 n ARG 287 Cb 0.33 -1.63 0.00 0.00 0.45 0.00 0.00 32.46 31.62 1dm8 n ARG 287 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1dm8 n PHE 288 N -2.40 1.95 -2.90 -0.14 3.01 -1.26 -4.28 117.46 111.43 1dm8 n PHE 288 Ca -0.02 -3.19 -0.42 0.00 1.01 0.00 0.00 57.45 54.82 1dm8 n PHE 288 Cb 0.56 -0.31 -0.05 0.00 -0.01 0.00 0.00 39.48 39.67 1dm8 n PHE 288 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1dm8 s ASP 289 N -3.16 6.67 0.06 4.37 1.01 -1.26 -4.92 116.67 119.44 1dm8 s ASP 289 Ca 0.38 0.64 -0.31 0.00 0.71 0.00 0.00 52.55 53.97 1dm8 s ASP 289 Cb 0.40 -2.42 -0.08 0.00 1.01 0.00 0.00 42.92 41.83 1dm8 s ASP 289 CO -0.07 -0.68 1.63 -0.69 0.21 0.00 0.00 175.17 175.57 1dm8 s VAL 290 N 3.09 3.12 0.65 -1.27 1.01 -1.26 -0.59 120.40 125.15 1dm8 s VAL 290 Ca 0.34 0.55 -0.11 0.00 0.00 0.00 0.00 61.98 62.75 1dm8 s VAL 290 Cb -0.14 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 1dm8 s VAL 290 CO 0.14 -0.00 1.04 -0.76 0.00 0.00 0.00 175.10 175.52 1dm8 s LEU 291 N 2.67 3.22 0.51 3.92 1.43 -0.31 -4.89 118.68 125.23 1dm8 s LEU 291 Ca 0.73 1.55 -0.03 0.00 -1.03 0.00 0.00 54.13 55.35 1dm8 s LEU 291 Cb -0.39 -4.49 -0.00 0.00 0.03 0.00 0.00 46.19 41.34 1dm8 s LEU 291 CO 0.32 -1.16 0.78 -2.16 0.23 0.00 0.00 176.35 174.36 1dm8 s PRO 292 N -4.99 3.07 0.05 1.29 0.04 -1.26 -4.76 135.00 128.45 1dm8 s PRO 292 Ca 0.57 -0.20 -0.09 0.00 0.04 0.00 0.00 61.00 61.33 1dm8 s PRO 292 Cb -0.13 -2.42 -0.05 0.00 0.04 0.00 0.00 34.50 31.94 1dm8 s PRO 292 CO 0.52 -0.44 0.36 -0.51 0.04 0.00 0.00 177.00 176.98 1dm8 s LEU 293 N -4.76 4.36 -0.46 -3.56 1.43 0.17 -4.90 118.68 110.97 1dm8 s LEU 293 Ca 0.50 0.73 -0.04 0.00 -1.03 0.00 0.00 54.13 54.29 1dm8 s LEU 293 Cb -0.10 -2.86 0.12 0.00 0.03 0.00 0.00 46.19 43.37 1dm8 s LEU 293 CO 0.42 0.21 0.27 -0.76 0.23 0.00 0.00 176.35 176.71 1dm8 s LEU 294 N -1.82 5.33 -0.12 1.79 1.43 -1.26 -1.25 118.68 122.78 1dm8 s LEU 294 Ca 0.31 -2.16 -0.10 0.00 -1.03 0.00 0.00 54.13 51.15 1dm8 s LEU 294 Cb -0.14 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 1dm8 s LEU 294 CO 0.17 -0.54 0.22 -0.76 0.23 0.00 0.00 176.35 175.67 1dm8 s LEU 295 N 0.96 4.34 -0.12 1.79 1.43 -0.40 -1.68 118.68 125.01 1dm8 s LEU 295 Ca 0.09 0.52 0.02 0.00 -1.03 0.00 0.00 54.13 53.74 1dm8 s LEU 295 Cb -0.23 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 43.78 1dm8 s LEU 295 CO -0.04 0.29 -0.17 -1.58 0.23 0.00 0.00 176.35 175.08 1dm8 s GLN 296 N -0.48 2.45 0.38 1.70 0.74 -0.18 -0.11 119.66 124.16 1dm8 s GLN 296 Ca 0.16 -0.65 -0.03 0.00 0.05 0.00 0.00 55.36 54.89 1dm8 s GLN 296 Cb -0.13 -2.04 -0.04 0.00 1.10 0.00 0.00 33.01 31.90 1dm8 s GLN 296 CO 0.05 -0.04 0.63 0.00 -0.55 0.00 0.00 175.29 175.37 1dm8 s ALA 297 N 0.92 3.58 0.08 1.58 0.00 -1.26 -1.33 121.76 125.32 1dm8 s ALA 297 Ca -0.07 -0.68 -0.37 0.00 0.00 0.00 0.00 51.96 50.85 1dm8 s ALA 297 Cb -0.15 -2.32 -0.18 0.00 0.00 0.00 0.00 23.12 20.47 1dm8 s ALA 297 CO -0.01 -0.06 1.20 -2.30 0.00 0.00 0.00 175.76 174.59 1dm8 n PRO 298 N -1.71 0.77 -3.12 0.00 -0.02 -1.25 -2.38 135.00 127.28 1dm8 n PRO 298 Ca -0.02 0.28 -0.20 0.00 -2.02 0.00 0.00 63.50 61.54 1dm8 n PRO 298 Cb 0.55 -1.83 -0.00 0.00 -0.02 0.00 0.00 33.50 32.20 1dm8 n PRO 298 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1dm8 n ASP 299 N 2.12 -3.65 -4.15 2.55 8.00 -1.26 -4.87 116.55 115.29 1dm8 n ASP 299 Ca 0.18 -0.22 -0.17 0.00 0.71 0.00 0.00 54.79 55.29 1dm8 n ASP 299 Cb 0.17 -3.05 -0.12 0.00 -0.02 0.00 0.00 41.12 38.10 1dm8 n ASP 299 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1dm8 s GLU 300 N -5.75 0.75 0.54 -1.24 0.41 -1.00 -5.08 118.70 107.33 1dm8 s GLU 300 Ca 0.29 -0.92 -0.21 0.00 -0.41 0.00 0.00 54.97 53.72 1dm8 s GLU 300 Cb -0.16 -0.68 -0.05 0.00 -1.78 0.00 0.00 34.13 31.47 1dm8 s GLU 300 CO 0.36 0.14 1.22 0.00 -0.49 0.00 0.00 175.26 176.50 1dm8 s ALA 301 N -1.39 2.74 0.68 5.21 0.00 -1.26 -4.55 121.76 123.19 1dm8 s ALA 301 Ca -0.03 1.05 -0.16 0.00 0.00 0.00 0.00 51.96 52.82 1dm8 s ALA 301 Cb -0.09 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.59 1dm8 s ALA 301 CO 0.02 -1.03 1.18 -1.25 0.00 0.00 0.00 175.76 174.67 1dm8 s PRO 302 N -3.05 2.50 0.11 0.00 0.04 -1.26 -4.74 135.00 128.60 1dm8 s PRO 302 Ca 0.72 1.67 0.07 0.00 0.04 0.00 0.00 61.00 63.50 1dm8 s PRO 302 Cb -0.32 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1dm8 s PRO 302 CO 0.36 -1.54 -0.07 -1.21 0.04 0.00 0.00 177.00 174.59 1dm8 s GLU 303 N -3.83 2.26 -0.23 4.56 2.02 0.84 -4.89 118.70 119.42 1dm8 s GLU 303 Ca 0.73 -0.98 -0.11 0.00 0.02 0.00 0.00 54.97 54.62 1dm8 s GLU 303 Cb -0.27 -2.37 -0.05 0.00 0.10 0.00 0.00 34.13 31.54 1dm8 s GLU 303 CO 0.41 0.51 0.20 -1.17 0.02 0.00 0.00 175.26 175.24 1dm8 s LEU 304 N -2.30 4.12 -0.07 1.80 2.96 -1.26 -1.28 118.68 122.65 1dm8 s LEU 304 Ca 0.23 0.18 0.02 0.00 -0.22 0.00 0.00 54.13 54.34 1dm8 s LEU 304 Cb -0.11 -2.18 0.02 0.00 0.50 0.00 0.00 46.19 44.42 1dm8 s LEU 304 CO 0.15 0.04 -0.10 -0.36 -1.32 0.00 0.00 176.35 174.76 1dm8 s PHE 305 N 1.12 1.32 -0.17 5.38 0.40 -0.38 -4.97 117.98 120.68 1dm8 s PHE 305 Ca 0.10 -0.49 -0.17 0.00 -0.60 0.00 0.00 56.93 55.76 1dm8 s PHE 305 Cb -0.14 -1.01 -0.04 0.00 0.51 0.00 0.00 43.02 42.35 1dm8 s PHE 305 CO 0.05 -0.29 0.45 0.08 0.70 0.00 0.00 175.22 176.21 1dm8 s VAL 306 N 0.84 5.18 0.13 -0.44 1.01 -1.26 -0.66 120.40 125.21 1dm8 s VAL 306 Ca -0.12 0.84 -0.30 0.00 0.00 0.00 0.00 61.98 62.40 1dm8 s VAL 306 Cb -0.15 -3.78 -0.07 0.00 0.00 0.00 0.00 36.38 32.38 1dm8 s VAL 306 CO 0.02 0.28 1.18 -0.76 0.00 0.00 0.00 175.10 175.82 1dm8 s LEU 307 N 1.04 4.42 0.05 3.92 1.43 -1.26 -4.95 118.68 123.33 1dm8 s LEU 307 Ca 0.23 2.12 -0.31 0.00 -1.03 0.00 0.00 54.13 55.13 1dm8 s LEU 307 Cb -0.15 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.38 1dm8 s LEU 307 CO 0.09 -0.39 1.94 -2.65 0.23 0.00 0.00 176.35 175.56 1dm8 n PRO 308 N 3.12 2.81 -0.19 1.29 -0.02 -1.26 -4.81 135.00 135.94 1dm8 n PRO 308 Ca 0.06 1.03 0.30 0.00 -2.02 0.00 0.00 63.50 62.87 1dm8 n PRO 308 Cb 0.46 -2.96 0.72 0.00 -0.02 0.00 0.00 33.50 31.70 1dm8 n PRO 308 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1dm8 h PRO 309 N 9.98 0.00 0.00 0.52 0.11 -1.94 0.42 132.00 141.09 1dm8 h PRO 309 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1dm8 h PRO 309 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1dm8 h PRO 309 CO 0.94 0.00 -0.05 1.05 -0.21 0.00 0.00 178.00 179.73 1dm8 h GLU 310 N 0.00 0.00 0.00 1.05 9.09 -2.04 -2.89 114.58 119.79 1dm8 h GLU 310 Ca 0.45 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.75 1dm8 h GLU 310 Cb 1.92 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 29.01 1dm8 h GLU 310 CO -0.00 0.05 -0.73 -0.07 0.05 0.00 0.00 179.01 178.31 1dm8 h LEU 311 N 0.00 0.00 -7.94 3.06 4.07 -0.52 -3.42 115.31 110.57 1dm8 h LEU 311 Ca -0.00 0.00 -0.75 0.00 0.08 0.00 0.00 57.88 57.21 1dm8 h LEU 311 Cb 0.54 0.00 -0.22 0.00 1.08 0.00 0.00 40.66 42.06 1dm8 h LEU 311 CO 0.01 0.46 0.31 -0.69 -1.08 0.00 0.00 178.44 177.45 1dm8 s VAL 312 N -2.99 5.21 0.10 1.22 1.01 -1.09 -4.82 120.40 119.04 1dm8 s VAL 312 Ca 0.02 -1.94 -0.31 0.00 0.00 0.00 0.00 61.98 59.75 1dm8 s VAL 312 Cb 0.08 -4.56 -0.07 0.00 0.00 0.00 0.00 36.38 31.82 1dm8 s VAL 312 CO 0.76 -1.18 1.32 -0.22 0.00 0.00 0.00 175.10 175.77 1dm8 s LEU 313 N 1.37 4.37 0.17 3.92 2.96 -1.26 -5.00 118.68 125.22 1dm8 s LEU 313 Ca 0.21 2.22 0.07 0.00 -0.22 0.00 0.00 54.13 56.41 1dm8 s LEU 313 Cb -0.11 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1dm8 s LEU 313 CO -0.06 -0.58 -0.15 -1.61 -1.32 0.00 0.00 176.35 172.63 1dm8 s GLU 314 N 1.00 1.23 -0.22 1.98 2.02 -1.26 -1.59 118.70 121.86 1dm8 s GLU 314 Ca 0.62 -1.46 0.02 0.00 0.02 0.00 0.00 54.97 54.16 1dm8 s GLU 314 Cb -0.34 -1.09 0.05 0.00 0.10 0.00 0.00 34.13 32.85 1dm8 s GLU 314 CO 0.30 0.19 -0.12 0.08 0.02 0.00 0.00 175.26 175.74 1dm8 s VAL 315 N -2.61 1.88 0.21 2.63 1.01 0.33 -4.89 120.40 118.96 1dm8 s VAL 315 Ca 0.18 -1.23 -0.30 0.00 0.00 0.00 0.00 61.98 60.63 1dm8 s VAL 315 Cb -0.02 -1.94 -0.09 0.00 0.00 0.00 0.00 36.38 34.33 1dm8 s VAL 315 CO 0.05 0.15 1.22 -2.16 0.00 0.00 0.00 175.10 174.36 1dm8 s PRO 316 N 1.28 4.48 -0.13 2.72 0.04 -1.26 -2.19 135.00 139.93 1dm8 s PRO 316 Ca -0.03 1.93 -0.18 0.00 0.04 0.00 0.00 61.00 62.76 1dm8 s PRO 316 Cb -0.17 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 1dm8 s PRO 316 CO -0.08 -0.09 0.48 -0.51 0.04 0.00 0.00 177.00 176.84 1dm8 s LEU 317 N -0.47 4.25 0.10 -3.56 1.43 0.22 -4.87 118.68 115.79 1dm8 s LEU 317 Ca 0.52 0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 54.40 1dm8 s LEU 317 Cb -0.34 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.16 1dm8 s LEU 317 CO 0.39 -0.02 0.01 -1.83 0.23 0.00 0.00 176.35 175.12 1dm8 s GLU 318 N 0.77 0.80 -0.01 1.70 -1.05 -1.26 -4.19 118.70 115.47 1dm8 s GLU 318 Ca 0.25 -1.35 0.02 0.00 -0.15 0.00 0.00 54.97 53.74 1dm8 s GLU 318 Cb -0.15 0.16 -0.03 0.00 -0.44 0.00 0.00 34.13 33.67 1dm8 s GLU 318 CO 0.10 -0.17 -0.03 -1.58 0.95 0.00 0.00 175.26 174.53 1dm8 s HIS 319 N -3.94 3.01 0.58 4.83 5.65 -1.26 -4.31 115.29 119.85 1dm8 s HIS 319 Ca 0.16 0.04 0.28 0.00 0.25 0.00 0.00 55.06 55.80 1dm8 s HIS 319 Cb 0.07 -1.66 1.76 0.00 -1.18 0.00 0.00 32.58 31.57 1dm8 s HIS 319 CO -0.03 0.42 2.24 -1.00 -0.65 0.00 0.00 174.74 175.72 1dm8 h PRO 320 N 4.53 0.00 0.00 2.88 0.13 -1.92 -3.34 132.00 134.28 1dm8 h PRO 320 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1dm8 h PRO 320 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1dm8 h PRO 320 CO 0.55 0.00 -0.43 0.25 -0.23 0.00 0.00 178.00 178.15 1dm8 n THR 321 N -3.93 0.00 -2.71 1.56 -2.24 -1.26 -4.97 114.28 100.72 1dm8 n THR 321 Ca -0.03 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 1dm8 n THR 321 Cb 0.08 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.13 1dm8 n THR 321 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1dm8 s LEU 322 N -1.85 4.02 0.25 3.22 1.43 -1.25 -4.90 118.68 119.60 1dm8 s LEU 322 Ca 0.00 -1.34 -0.11 0.00 -1.03 0.00 0.00 54.13 51.64 1dm8 s LEU 322 Cb 0.00 -2.49 0.35 0.00 0.03 0.00 0.00 46.19 44.08 1dm8 s LEU 322 CO 0.00 -1.44 1.58 1.05 0.23 0.00 0.00 176.35 177.78 1dm8 h GLU 323 N 9.54 -0.01 0.00 1.70 -0.00 -1.94 -2.09 114.58 121.78 1dm8 h GLU 323 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.37 1dm8 h GLU 323 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.78 1dm8 h GLU 323 CO 1.27 -0.01 0.00 0.11 -0.00 0.00 0.00 179.01 180.38 1dm8 h TRP 324 N -0.01 0.00 -0.70 2.06 5.08 -1.96 -3.29 115.95 117.12 1dm8 h TRP 324 Ca 0.40 0.00 0.13 0.00 1.08 0.00 0.00 58.89 60.49 1dm8 h TRP 324 Cb 0.62 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 26.69 1dm8 h TRP 324 CO -0.68 0.00 0.26 0.35 -1.28 0.00 0.00 178.44 177.10 1dm8 h PHE 325 N 0.00 0.45 -0.54 0.12 3.57 -1.76 -0.62 116.94 118.17 1dm8 h PHE 325 Ca 0.00 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.65 1dm8 h PHE 325 Cb 0.33 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 1dm8 h PHE 325 CO 0.00 0.06 0.37 0.00 -2.23 0.00 0.00 178.31 176.51 1dm8 h ALA 326 N 1.51 2.23 0.00 2.41 0.00 -1.73 0.11 119.26 123.80 1dm8 h ALA 326 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1dm8 h ALA 326 Cb 0.55 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1dm8 h ALA 326 CO -0.38 -0.37 0.00 0.00 0.00 0.00 0.00 179.25 178.49 1dm8 n ALA 327 N -2.57 1.43 0.56 0.00 0.00 -0.24 -1.93 120.51 117.76 1dm8 n ALA 327 Ca 0.09 0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.73 1dm8 n ALA 327 Cb 0.47 -1.35 0.34 0.00 0.00 0.00 0.00 19.45 18.92 1dm8 n ALA 327 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1dm8 n LEU 328 N -2.20 0.00 -2.98 0.00 4.77 0.03 -4.88 117.00 111.74 1dm8 n LEU 328 Ca 0.01 0.50 -0.22 0.00 -0.03 0.00 0.00 56.01 56.26 1dm8 n LEU 328 Cb 0.15 -0.50 0.03 0.00 -2.33 0.00 0.00 43.42 40.78 1dm8 n LEU 328 CO 0.15 -0.22 -0.02 0.61 -1.33 0.00 0.00 177.39 176.58 1dm8 n GLY 329 N 0.16 -0.52 3.89 -0.72 0.00 -0.81 -4.99 105.19 102.19 1dm8 n GLY 329 Ca 0.04 0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1dm8 n GLY 329 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dm8 s LEU 330 N -6.66 3.98 0.08 0.99 1.43 -1.26 -5.00 118.68 112.25 1dm8 s LEU 330 Ca 0.28 0.87 -0.27 0.00 -1.03 0.00 0.00 54.13 53.98 1dm8 s LEU 330 Cb -0.13 -3.71 0.08 0.00 0.03 0.00 0.00 46.19 42.47 1dm8 s LEU 330 CO 0.35 -0.27 0.93 0.00 0.23 0.00 0.00 176.35 177.59 1dm8 s ARG 331 N -3.64 1.02 -0.02 1.70 1.70 -1.26 -0.61 118.95 117.83 1dm8 s ARG 331 Ca 0.47 -0.50 -0.24 0.00 -0.47 0.00 0.00 55.73 54.99 1dm8 s ARG 331 Cb -0.11 0.39 0.05 0.00 -0.57 0.00 0.00 34.95 34.72 1dm8 s ARG 331 CO 0.30 -0.46 0.53 -0.46 -1.08 0.00 0.00 175.30 174.13 1dm8 s TRP 332 N -3.21 -0.46 0.52 5.89 -0.11 -0.93 -4.93 118.94 115.71 1dm8 s TRP 332 Ca 0.09 0.74 -0.18 0.00 1.22 0.00 0.00 56.10 57.96 1dm8 s TRP 332 Cb -0.01 0.29 -0.07 0.00 -1.50 0.00 0.00 33.47 32.18 1dm8 s TRP 332 CO -0.03 -0.54 1.03 1.52 -4.62 0.00 0.00 176.95 174.31 1dm8 s TYR 333 N -1.40 3.11 0.13 5.86 -0.85 -1.26 -0.51 117.35 122.42 1dm8 s TYR 333 Ca -0.11 1.54 -0.01 0.00 -0.52 0.00 0.00 57.07 57.96 1dm8 s TYR 333 Cb -0.02 -2.98 -0.09 0.00 0.38 0.00 0.00 41.96 39.25 1dm8 s TYR 333 CO 0.06 -0.76 1.31 0.00 -1.52 0.00 0.00 175.55 174.64 1dm8 h ALA 334 N 1.13 0.39 -2.37 9.51 0.00 -1.64 -3.45 119.26 122.82 1dm8 h ALA 334 Ca -0.48 -0.74 -0.69 0.00 0.00 0.00 0.00 54.91 52.99 1dm8 h ALA 334 Cb 1.21 -0.04 -0.19 0.00 0.00 0.00 0.00 17.79 18.77 1dm8 h ALA 334 CO 0.59 0.89 -0.21 -1.17 0.00 0.00 0.00 179.25 179.35 1dm8 s LEU 335 N -7.50 4.88 -0.61 0.00 2.96 -1.26 -4.56 118.68 112.58 1dm8 s LEU 335 Ca -0.04 -0.69 -0.21 0.00 -0.22 0.00 0.00 54.13 52.97 1dm8 s LEU 335 Cb 0.09 -2.38 0.08 0.00 0.50 0.00 0.00 46.19 44.48 1dm8 s LEU 335 CO 0.85 -0.58 0.82 -2.16 -1.32 0.00 0.00 176.35 173.96 1dm8 s PRO 336 N 2.12 3.09 -0.33 0.98 0.04 -1.26 -4.67 135.00 134.96 1dm8 s PRO 336 Ca 0.12 -1.04 0.02 0.00 0.04 0.00 0.00 61.00 60.14 1dm8 s PRO 336 Cb -0.17 -4.23 0.10 0.00 0.04 0.00 0.00 34.50 30.24 1dm8 s PRO 336 CO 0.13 -1.64 0.07 0.00 0.04 0.00 0.00 177.00 175.60 1dm8 s ALA 337 N 3.33 2.44 0.18 8.56 0.00 -1.26 -3.48 121.76 131.53 1dm8 s ALA 337 Ca 0.17 -2.26 -0.30 0.00 0.00 0.00 0.00 51.96 49.57 1dm8 s ALA 337 Cb -0.20 -1.86 -0.09 0.00 0.00 0.00 0.00 23.12 20.98 1dm8 s ALA 337 CO 0.09 -1.69 1.36 0.08 0.00 0.00 0.00 175.76 175.59 1dm8 s VAL 338 N 1.12 3.16 0.00 0.00 1.01 -0.52 -1.55 120.40 123.62 1dm8 s VAL 338 Ca 0.11 0.91 0.00 0.00 0.00 0.00 0.00 61.98 63.00 1dm8 s VAL 338 Cb -0.19 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1dm8 s VAL 338 CO -0.14 0.11 0.61 -1.54 0.00 0.00 0.00 175.10 174.15 1dm8 n SER 339 N 3.07 0.89 -0.42 3.32 3.41 0.39 -1.91 113.62 122.37 1dm8 n SER 339 Ca 0.08 -1.36 0.05 0.00 -0.26 0.00 0.00 58.87 57.38 1dm8 n SER 339 Cb 0.42 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.43 1dm8 n SER 339 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1dm8 n ASN 340 N -0.18 1.98 -4.89 4.04 2.04 -1.22 -4.47 115.26 112.55 1dm8 n ASN 340 Ca 0.00 -1.50 -0.29 0.00 -0.44 0.00 0.00 54.58 52.35 1dm8 n ASN 340 Cb 0.29 -0.03 -0.03 0.00 -2.53 0.00 0.00 39.78 37.48 1dm8 n ASN 340 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 1dm8 s MET 341 N -0.84 3.68 -0.15 -3.83 -1.94 -1.26 -4.42 119.30 110.53 1dm8 s MET 341 Ca 0.13 0.17 -0.08 0.00 -1.71 0.00 0.00 55.69 54.20 1dm8 s MET 341 Cb 0.08 -2.55 -0.04 0.00 2.01 0.00 0.00 34.83 34.34 1dm8 s MET 341 CO 0.12 0.11 0.12 -1.17 -0.01 0.00 0.00 175.02 174.19 1dm8 s LEU 342 N -3.71 4.20 -0.29 -0.03 0.20 0.53 -4.41 118.68 115.17 1dm8 s LEU 342 Ca 0.47 0.32 -0.10 0.00 0.69 0.00 0.00 54.13 55.50 1dm8 s LEU 342 Cb -0.10 -2.05 -0.03 0.00 -0.43 0.00 0.00 46.19 43.58 1dm8 s LEU 342 CO 0.31 0.30 0.17 -0.22 -0.29 0.00 0.00 176.35 176.62 1dm8 s LEU 343 N -0.35 4.05 -0.24 -0.68 2.96 -0.63 -0.42 118.68 123.37 1dm8 s LEU 343 Ca 0.11 -0.24 -0.05 0.00 -0.22 0.00 0.00 54.13 53.73 1dm8 s LEU 343 Cb -0.12 -2.07 -0.00 0.00 0.50 0.00 0.00 46.19 44.50 1dm8 s LEU 343 CO 0.01 -0.12 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.21 1dm8 s GLU 344 N 1.70 3.32 -0.08 1.98 -6.30 -0.10 -0.15 118.70 119.05 1dm8 s GLU 344 Ca 0.06 -0.68 0.02 0.00 -2.50 0.00 0.00 54.97 51.87 1dm8 s GLU 344 Cb -0.16 -3.11 0.02 0.00 0.00 0.00 0.00 34.13 30.87 1dm8 s GLU 344 CO 0.09 -0.26 -0.12 0.42 0.02 0.00 0.00 175.26 175.41 1dm8 s ILE 345 N 1.49 1.17 -1.75 -3.70 1.01 -0.47 -1.63 121.20 117.32 1dm8 s ILE 345 Ca 0.05 -0.47 -0.17 0.00 0.00 0.00 0.00 60.65 60.06 1dm8 s ILE 345 Cb -0.15 -1.09 0.16 0.00 0.01 0.00 0.00 42.46 41.39 1dm8 s ILE 345 CO -0.01 0.37 0.57 0.61 0.00 0.00 0.00 174.94 176.48 1dm8 n GLY 346 N 4.10 -0.37 2.28 6.18 0.00 -1.26 -0.13 105.19 115.99 1dm8 n GLY 346 Ca -0.20 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1dm8 n GLY 346 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dm8 n GLY 347 N -1.44 3.16 3.82 -0.02 0.00 -1.26 -3.66 105.19 105.78 1dm8 n GLY 347 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1dm8 n GLY 347 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dm8 s LEU 348 N 0.00 4.08 -0.12 0.99 1.43 0.81 -5.05 118.68 120.83 1dm8 s LEU 348 Ca 0.00 1.58 0.03 0.00 -1.03 0.00 0.00 54.13 54.70 1dm8 s LEU 348 Cb 0.00 -4.23 0.01 0.00 0.03 0.00 0.00 46.19 42.00 1dm8 s LEU 348 CO 0.00 -0.23 -0.20 -1.61 0.23 0.00 0.00 176.35 174.54 1dm8 s GLU 349 N -2.81 2.74 -0.52 1.70 2.02 -1.26 -1.37 118.70 119.21 1dm8 s GLU 349 Ca 0.56 -0.76 -0.07 0.00 0.02 0.00 0.00 54.97 54.72 1dm8 s GLU 349 Cb -0.12 -2.21 0.13 0.00 0.10 0.00 0.00 34.13 32.04 1dm8 s GLU 349 CO 0.17 0.01 0.36 -0.06 0.02 0.00 0.00 175.26 175.76 1dm8 s PHE 350 N 0.76 3.49 0.37 1.61 0.08 0.78 -0.03 117.98 125.04 1dm8 s PHE 350 Ca -0.10 -2.19 0.34 0.00 0.12 0.00 0.00 56.93 55.10 1dm8 s PHE 350 Cb -0.16 -3.40 1.66 0.00 -0.57 0.00 0.00 43.02 40.55 1dm8 s PHE 350 CO 0.01 -0.96 2.11 0.66 -0.10 0.00 0.00 175.22 176.94 1dm8 h SER 351 N 8.01 0.00 -3.32 1.36 4.64 -1.82 -1.68 113.55 120.74 1dm8 h SER 351 Ca -0.13 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.61 1dm8 h SER 351 Cb 1.04 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.73 1dm8 h SER 351 CO 0.78 0.05 -0.76 0.00 -0.87 0.00 0.00 176.83 176.04 1dm8 s ALA 352 N -3.98 1.69 -0.43 5.18 0.00 -1.24 -4.68 121.76 118.30 1dm8 s ALA 352 Ca -0.02 -1.58 0.08 0.00 0.00 0.00 0.00 51.96 50.44 1dm8 s ALA 352 Cb 0.12 -1.57 0.28 0.00 0.00 0.00 0.00 23.12 21.94 1dm8 s ALA 352 CO 0.53 -1.52 0.77 0.00 0.00 0.00 0.00 175.76 175.54 1dm8 n ALA 353 N 4.78 0.60 -1.73 0.00 0.00 -1.26 -0.98 120.51 121.92 1dm8 n ALA 353 Ca -0.04 -2.45 -0.42 0.00 0.00 0.00 0.00 53.44 50.53 1dm8 n ALA 353 Cb 0.43 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.81 1dm8 n ALA 353 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1dm8 n PRO 354 N 1.12 2.50 -4.23 0.00 -0.04 -1.15 -4.66 135.00 128.53 1dm8 n PRO 354 Ca 0.15 0.89 -0.19 0.00 -0.04 0.00 0.00 63.50 64.31 1dm8 n PRO 354 Cb 0.61 -2.62 -0.12 0.00 -0.04 0.00 0.00 33.50 31.33 1dm8 n PRO 354 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1dm8 s PHE 355 N -0.18 1.27 0.04 0.54 -0.12 -0.80 -1.32 117.98 117.39 1dm8 s PHE 355 Ca 0.64 -0.43 -0.11 0.00 -0.05 0.00 0.00 56.93 56.98 1dm8 s PHE 355 Cb -0.54 -0.72 0.01 0.00 -0.63 0.00 0.00 43.02 41.14 1dm8 s PHE 355 CO 0.51 0.06 0.24 -1.54 -0.05 0.00 0.00 175.22 174.44 1dm8 s SER 356 N -1.58 -0.03 0.00 1.98 1.04 0.91 -1.44 113.70 114.57 1dm8 s SER 356 Ca -0.00 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1dm8 s SER 356 Cb -0.09 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1dm8 s SER 356 CO 0.02 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1dm8 n GLY 357 N 0.64 3.32 3.25 7.32 0.00 -1.23 -0.51 105.19 117.98 1dm8 n GLY 357 Ca -0.19 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 1dm8 n GLY 357 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1dm8 s TRP 358 N 2.36 0.29 0.36 1.61 -2.14 -1.26 -4.63 118.94 115.53 1dm8 s TRP 358 Ca 0.00 -0.70 -0.23 0.00 2.66 0.00 0.00 56.10 57.83 1dm8 s TRP 358 Cb 0.00 -0.09 -0.10 0.00 -3.10 0.00 0.00 33.47 30.17 1dm8 s TRP 358 CO 0.00 -0.60 0.92 0.71 -2.66 0.00 0.00 176.95 175.32 1dm8 s TYR 359 N -3.91 3.51 -0.22 1.66 2.02 -1.26 -4.93 117.35 114.22 1dm8 s TYR 359 Ca 0.11 1.65 -0.09 0.00 -0.37 0.00 0.00 57.07 58.36 1dm8 s TYR 359 Cb 0.05 -2.85 -0.04 0.00 -0.40 0.00 0.00 41.96 38.72 1dm8 s TYR 359 CO -0.06 0.08 0.12 1.41 -1.57 0.00 0.00 175.55 175.52 1dm8 s MET 360 N -2.58 3.99 0.39 -0.62 -2.45 -1.26 -1.69 119.30 115.09 1dm8 s MET 360 Ca 0.55 -0.32 0.24 0.00 -1.25 0.00 0.00 55.69 54.91 1dm8 s MET 360 Cb -0.14 -3.41 1.36 0.00 1.25 0.00 0.00 34.83 33.89 1dm8 s MET 360 CO 0.19 0.10 1.59 0.66 1.05 0.00 0.00 175.02 178.61 1dm8 h SER 361 N 7.33 0.31 0.09 1.11 4.64 -1.46 -1.10 113.55 124.48 1dm8 h SER 361 Ca -0.38 0.22 -0.02 0.00 -0.47 0.00 0.00 61.79 61.14 1dm8 h SER 361 Cb 1.17 0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1dm8 h SER 361 CO 0.66 -0.34 -0.08 0.71 -0.87 0.00 0.00 176.83 176.92 1dm8 h THR 362 N 0.05 0.96 -0.98 2.95 1.35 -1.94 0.14 112.91 115.44 1dm8 h THR 362 Ca 0.84 -0.28 0.03 0.00 -0.55 0.00 0.00 66.41 66.46 1dm8 h THR 362 Cb 2.35 1.15 -0.06 0.00 -1.73 0.00 0.00 68.15 69.87 1dm8 h THR 362 CO -0.64 0.08 0.64 -0.33 -0.25 0.00 0.00 175.52 175.02 1dm8 h GLU 363 N 0.00 1.21 0.00 4.72 5.08 -1.61 0.45 114.58 124.44 1dm8 h GLU 363 Ca -0.00 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1dm8 h GLU 363 Cb 0.15 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1dm8 h GLU 363 CO 0.01 0.80 -0.48 0.82 -1.00 0.00 0.00 179.01 179.16 1dm8 h ILE 364 N 1.25 0.27 0.00 3.13 2.04 -1.54 -1.19 117.51 121.47 1dm8 h ILE 364 Ca 0.39 -1.29 -0.05 0.00 1.00 0.00 0.00 64.86 64.91 1dm8 h ILE 364 Cb -0.01 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1dm8 h ILE 364 CO -0.12 0.09 -0.23 1.23 0.00 0.00 0.00 178.15 179.12 1dm8 h GLY 365 N -1.00 0.00 0.00 5.37 0.00 -1.06 -1.70 103.07 104.68 1dm8 h GLY 365 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.19 1dm8 h GLY 365 CO -0.04 0.00 -1.09 2.41 0.00 0.00 0.00 176.54 177.82 1dm8 n THR 366 N -4.23 1.36 0.02 4.70 -1.04 0.11 -4.22 114.28 110.97 1dm8 n THR 366 Ca -0.02 0.09 -0.11 0.00 -2.04 0.00 0.00 64.05 61.97 1dm8 n THR 366 Cb 0.29 -2.06 -0.08 0.00 -1.82 0.00 0.00 70.33 66.65 1dm8 n THR 366 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1dm8 h ARG 367 N -0.74 -0.14 -0.38 -2.82 2.47 -1.48 -2.13 114.38 109.15 1dm8 h ARG 367 Ca -0.13 0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.54 1dm8 h ARG 367 Cb 0.92 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.26 1dm8 h ARG 367 CO -0.08 0.37 0.02 -0.91 0.56 0.00 0.00 179.97 179.93 1dm8 h ASN 368 N -0.84 0.64 0.45 7.04 2.35 -1.25 -1.92 115.58 122.05 1dm8 h ASN 368 Ca -0.01 -0.29 -0.29 0.00 -0.55 0.00 0.00 56.30 55.15 1dm8 h ASN 368 Cb 0.57 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.72 1dm8 h ASN 368 CO 0.02 0.78 -1.76 0.18 -1.65 0.00 0.00 177.43 175.00 1dm8 n LEU 369 N -4.49 0.78 -0.16 1.61 4.77 -0.64 -2.55 117.00 116.32 1dm8 n LEU 369 Ca -0.01 0.37 0.09 0.00 -0.03 0.00 0.00 56.01 56.42 1dm8 n LEU 369 Cb 0.27 0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 1dm8 n LEU 369 CO 0.40 0.38 0.08 0.00 -1.33 0.00 0.00 177.39 176.92 1dm8 s ASP 371 N -2.43 6.48 0.48 0.00 -0.00 -0.72 -4.60 116.67 115.88 1dm8 s ASP 371 Ca 0.10 2.91 0.14 0.00 -0.00 0.00 0.00 52.55 55.70 1dm8 s ASP 371 Cb 0.14 -2.65 1.14 0.00 -0.00 0.00 0.00 42.92 41.55 1dm8 s ASP 371 CO 0.62 -0.79 2.11 1.55 -0.00 0.00 0.00 175.17 178.66 1dm8 h PRO 372 N 3.67 0.18 -0.65 8.23 0.13 -1.93 -1.39 132.00 140.24 1dm8 h PRO 372 Ca -0.49 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1dm8 h PRO 372 Cb 1.23 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1dm8 h PRO 372 CO 0.69 0.12 0.00 -2.39 -0.23 0.00 0.00 178.00 176.19 1dm8 n HIS 373 N -4.51 1.53 0.00 1.56 1.44 -1.26 -4.58 115.22 109.40 1dm8 n HIS 373 Ca 0.00 -0.56 0.00 0.00 -2.01 0.00 0.00 57.72 55.15 1dm8 n HIS 373 Cb 0.13 -0.34 0.00 0.00 0.12 0.00 0.00 29.99 29.89 1dm8 n HIS 373 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1dm8 n ARG 374 N 0.71 0.87 0.26 -1.40 5.12 -0.56 -4.40 116.66 117.26 1dm8 n ARG 374 Ca 0.23 0.00 0.16 0.00 -1.93 0.00 0.00 57.85 56.31 1dm8 n ARG 374 Cb 0.92 0.00 0.64 0.00 -1.16 0.00 0.00 32.46 32.86 1dm8 n ARG 374 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1dm8 h TYR 375 N 0.00 0.00 -6.94 -1.55 -1.99 -1.63 -3.42 116.97 101.44 1dm8 h TYR 375 Ca 0.00 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 60.13 1dm8 h TYR 375 Cb 0.00 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 38.66 1dm8 h TYR 375 CO 0.00 0.00 -1.00 -1.71 -0.00 0.00 0.00 178.16 175.45 1dm8 n ASN 376 N -2.98 -2.62 -0.61 3.88 5.15 -0.71 -4.86 115.26 112.52 1dm8 n ASN 376 Ca 0.01 -1.28 0.12 0.00 -0.60 0.00 0.00 54.58 52.83 1dm8 n ASN 376 Cb 0.31 -1.76 0.40 0.00 -0.53 0.00 0.00 39.78 38.19 1dm8 n ASN 376 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1dm8 n ILE 377 N -4.88 0.14 -0.00 -1.44 -5.35 -0.26 -4.59 119.36 102.98 1dm8 n ILE 377 Ca -0.18 -0.36 -0.12 0.00 -0.27 0.00 0.00 62.75 61.82 1dm8 n ILE 377 Cb 0.61 0.56 -0.06 0.00 -1.74 0.00 0.00 39.64 39.01 1dm8 n ILE 377 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1dm8 h LEU 378 N 2.67 -1.28 -0.47 7.28 5.85 -1.87 -2.12 115.31 125.37 1dm8 h LEU 378 Ca 0.00 0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1dm8 h LEU 378 Cb 0.58 0.52 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 1dm8 h LEU 378 CO 0.00 -0.42 0.29 -0.08 -0.34 0.00 0.00 178.44 177.89 1dm8 h GLU 379 N -0.48 0.58 -0.43 1.25 4.81 -1.99 -1.19 114.58 117.13 1dm8 h GLU 379 Ca 0.08 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.35 1dm8 h GLU 379 Cb 0.62 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.80 1dm8 h GLU 379 CO -0.39 0.38 0.05 -0.44 -0.73 0.00 0.00 179.01 177.88 1dm8 h ASP 380 N 0.59 -0.08 -0.48 1.04 3.32 -1.81 0.11 116.42 119.11 1dm8 h ASP 380 Ca 0.18 0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.22 1dm8 h ASP 380 Cb -0.03 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1dm8 h ASP 380 CO -0.06 -0.00 -0.04 0.58 -1.72 0.00 0.00 179.24 178.00 1dm8 h VAL 381 N 0.17 1.26 -0.25 -1.35 2.07 -1.20 -1.67 116.25 115.28 1dm8 h VAL 381 Ca 0.21 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1dm8 h VAL 381 Cb 0.29 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1dm8 h VAL 381 CO -0.31 0.40 0.12 0.00 0.02 0.00 0.00 177.57 177.80 1dm8 h ALA 382 N 1.10 0.33 -0.59 1.67 0.00 -0.45 -0.82 119.26 120.51 1dm8 h ALA 382 Ca 0.15 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1dm8 h ALA 382 Cb 0.56 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1dm8 h ALA 382 CO 0.03 -0.11 0.22 0.28 0.00 0.00 0.00 179.25 179.68 1dm8 h VAL 383 N 0.27 1.21 -0.08 0.00 2.07 -0.64 -0.54 116.25 118.55 1dm8 h VAL 383 Ca 0.09 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.84 1dm8 h VAL 383 Cb 0.13 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1dm8 h VAL 383 CO -0.01 0.27 -0.33 0.00 0.02 0.00 0.00 177.57 177.52 1dm8 n MET 385 N -4.11 0.19 -3.22 0.00 2.81 -0.34 -4.92 117.12 107.54 1dm8 n MET 385 Ca -0.01 -0.02 -0.16 0.00 -1.81 0.00 0.00 57.70 55.69 1dm8 n MET 385 Cb 0.41 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.47 1dm8 n MET 385 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1dm8 n ASP 386 N -1.38 -4.53 -4.92 7.83 4.64 -0.32 -5.02 116.55 112.86 1dm8 n ASP 386 Ca 0.10 -0.39 -0.26 0.00 -1.38 0.00 0.00 54.79 52.86 1dm8 n ASP 386 Cb 0.30 -3.68 0.00 0.00 -1.04 0.00 0.00 41.12 36.70 1dm8 n ASP 386 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1dm8 s LEU 387 N -5.35 3.64 -0.89 -2.67 1.43 -0.57 -5.00 118.68 109.27 1dm8 s LEU 387 Ca 0.34 0.78 -0.23 0.00 -1.03 0.00 0.00 54.13 53.99 1dm8 s LEU 387 Cb -0.15 -3.69 0.07 0.00 0.03 0.00 0.00 46.19 42.45 1dm8 s LEU 387 CO 0.51 -0.60 1.26 -0.62 0.23 0.00 0.00 176.35 177.12 1dm8 s ASP 388 N -4.13 6.42 -0.01 2.29 2.15 -1.26 -4.75 116.67 117.39 1dm8 s ASP 388 Ca 0.47 -1.35 0.03 0.00 0.43 0.00 0.00 52.55 52.13 1dm8 s ASP 388 Cb -0.10 -2.50 0.10 0.00 -0.30 0.00 0.00 42.92 40.12 1dm8 s ASP 388 CO 0.43 -1.44 1.01 0.35 -0.17 0.00 0.00 175.17 175.35 1dm8 n THR 389 N 6.28 0.19 0.11 1.71 -2.24 -1.26 -3.86 114.28 115.20 1dm8 n THR 389 Ca 0.19 -0.15 -0.04 0.00 -2.27 0.00 0.00 64.05 61.78 1dm8 n THR 389 Cb 0.49 -0.02 0.11 0.00 -2.10 0.00 0.00 70.33 68.82 1dm8 n THR 389 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1dm8 h ARG 390 N 0.62 0.12 -4.03 -0.78 3.08 -2.04 -3.46 114.38 107.88 1dm8 h ARG 390 Ca 0.00 -0.09 -0.16 0.00 0.07 0.00 0.00 59.98 59.80 1dm8 h ARG 390 Cb 0.24 0.02 -0.19 0.00 0.08 0.00 0.00 29.97 30.11 1dm8 h ARG 390 CO 0.01 0.74 -0.69 -0.08 -1.07 0.00 0.00 179.97 178.88 1dm8 s THR 391 N -3.57 0.14 0.21 2.04 -1.32 -1.25 -5.05 115.64 106.84 1dm8 s THR 391 Ca -0.02 -1.13 -0.06 0.00 -1.21 0.00 0.00 61.69 59.27 1dm8 s THR 391 Cb 0.12 -0.58 0.07 0.00 -1.51 0.00 0.00 72.50 70.60 1dm8 s THR 391 CO 0.79 -0.62 1.67 0.71 -2.21 0.00 0.00 174.62 174.95 1dm8 h THR 392 N 4.27 1.26 0.00 5.08 1.35 -1.89 -3.16 112.91 119.82 1dm8 h THR 392 Ca -0.32 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.37 1dm8 h THR 392 Cb 1.19 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1dm8 h THR 392 CO 0.47 0.41 0.03 -1.54 -0.25 0.00 0.00 175.52 174.64 1dm8 n SER 393 N -4.17 0.37 -0.01 5.36 3.41 -1.26 -1.19 113.62 116.13 1dm8 n SER 393 Ca 0.02 0.66 0.14 0.00 -0.26 0.00 0.00 58.87 59.43 1dm8 n SER 393 Cb 0.36 -0.70 0.58 0.00 -0.26 0.00 0.00 64.21 64.19 1dm8 n SER 393 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1dm8 n SER 394 N -2.00 0.11 -3.24 4.04 3.41 -1.19 -4.90 113.62 109.85 1dm8 n SER 394 Ca -0.01 0.23 -0.23 0.00 -0.26 0.00 0.00 58.87 58.59 1dm8 n SER 394 Cb 0.05 -0.33 0.04 0.00 -0.26 0.00 0.00 64.21 63.71 1dm8 n SER 394 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1dm8 n LEU 395 N -1.43 -2.74 -0.30 1.04 4.77 -0.34 -4.89 117.00 113.11 1dm8 n LEU 395 Ca 0.08 -0.38 -0.05 0.00 -0.03 0.00 0.00 56.01 55.63 1dm8 n LEU 395 Cb 0.32 -2.90 0.08 0.00 -2.33 0.00 0.00 43.42 38.60 1dm8 n LEU 395 CO 0.27 0.34 1.09 4.11 -1.33 0.00 0.00 177.39 181.87 1dm8 h TRP 396 N -1.70 1.21 0.15 -1.77 5.08 -1.83 -1.48 115.95 115.61 1dm8 h TRP 396 Ca -0.54 -0.07 -0.01 0.00 1.08 0.00 0.00 58.89 59.36 1dm8 h TRP 396 Cb 1.36 -0.37 0.00 0.00 -3.00 0.00 0.00 29.16 27.15 1dm8 h TRP 396 CO 0.54 0.89 -0.07 0.87 -1.28 0.00 0.00 178.44 179.39 1dm8 h LYS 397 N 1.18 -0.19 -0.72 0.12 1.57 -1.90 -0.76 116.57 115.88 1dm8 h LYS 397 Ca 0.28 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.15 1dm8 h LYS 397 Cb 0.16 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.45 1dm8 h LYS 397 CO -0.03 -0.09 0.39 -0.44 -0.57 0.00 0.00 179.45 178.71 1dm8 h ASP 398 N -0.24 0.56 -0.36 0.86 5.19 -1.91 -0.73 116.42 119.80 1dm8 h ASP 398 Ca -0.02 0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.40 1dm8 h ASP 398 Cb 0.19 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 1dm8 h ASP 398 CO 0.03 0.35 0.09 0.11 -3.12 0.00 0.00 179.24 176.70 1dm8 h LYS 399 N 0.70 0.58 -0.50 3.56 1.57 -0.96 -2.45 116.57 119.07 1dm8 h LYS 399 Ca 0.33 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.88 1dm8 h LYS 399 Cb 0.27 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1dm8 h LYS 399 CO -0.22 0.61 -0.08 0.00 -0.57 0.00 0.00 179.45 179.20 1dm8 h ALA 400 N 0.94 0.68 -0.95 3.86 0.00 -0.85 -2.97 119.26 119.97 1dm8 h ALA 400 Ca 0.11 -0.33 0.08 0.00 0.00 0.00 0.00 54.91 54.77 1dm8 h ALA 400 Cb 0.29 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 1dm8 h ALA 400 CO 0.00 0.56 0.60 0.00 0.00 0.00 0.00 179.25 180.41 1dm8 h ALA 401 N 0.91 1.34 -0.61 0.00 0.00 -1.02 -1.17 119.26 118.71 1dm8 h ALA 401 Ca 0.13 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1dm8 h ALA 401 Cb 0.62 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1dm8 h ALA 401 CO 0.04 0.34 0.04 0.28 0.00 0.00 0.00 179.25 179.94 1dm8 h VAL 402 N 1.06 1.26 -0.14 0.00 2.07 -1.31 -1.84 116.25 117.35 1dm8 h VAL 402 Ca 0.43 -1.09 -0.14 0.00 0.82 0.00 0.00 66.70 66.72 1dm8 h VAL 402 Cb 0.24 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1dm8 h VAL 402 CO -0.19 0.40 -0.50 -0.33 0.02 0.00 0.00 177.57 176.97 1dm8 h GLU 403 N 0.96 0.37 -0.44 1.57 4.39 -1.23 -1.20 114.58 119.00 1dm8 h GLU 403 Ca 0.18 -0.21 -0.11 0.00 0.34 0.00 0.00 59.36 59.55 1dm8 h GLU 403 Cb 0.50 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1dm8 h GLU 403 CO 0.02 0.78 -0.17 0.82 -1.16 0.00 0.00 179.01 179.31 1dm8 h ILE 404 N 0.29 1.27 -0.33 3.13 2.04 -1.07 0.19 117.51 123.04 1dm8 h ILE 404 Ca 0.01 -1.31 -0.11 0.00 1.00 0.00 0.00 64.86 64.46 1dm8 h ILE 404 Cb 0.98 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 1dm8 h ILE 404 CO 0.08 0.45 -0.23 0.78 0.00 0.00 0.00 178.15 179.23 1dm8 h ASN 405 N 0.73 0.66 -0.16 1.72 4.21 -1.21 -1.56 115.58 119.97 1dm8 h ASN 405 Ca 0.10 -0.23 -0.01 0.00 1.21 0.00 0.00 56.30 57.38 1dm8 h ASN 405 Cb 0.73 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.74 1dm8 h ASN 405 CO 0.06 0.88 0.08 0.25 -1.29 0.00 0.00 177.43 177.40 1dm8 h LEU 406 N 0.57 0.21 -0.82 1.61 5.85 -0.83 -1.97 115.31 119.94 1dm8 h LEU 406 Ca 0.08 -0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.78 1dm8 h LEU 406 Cb 0.70 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.60 1dm8 h LEU 406 CO 0.05 0.27 0.46 0.00 -0.34 0.00 0.00 178.44 178.88 1dm8 h ALA 407 N 0.95 1.16 -0.05 1.25 0.00 -0.32 0.18 119.26 122.44 1dm8 h ALA 407 Ca 0.06 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1dm8 h ALA 407 Cb 0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1dm8 h ALA 407 CO -0.01 0.08 0.03 0.28 0.00 0.00 0.00 179.25 179.63 1dm8 h VAL 408 N 0.77 1.07 -0.31 0.00 2.07 -0.92 -0.14 116.25 118.80 1dm8 h VAL 408 Ca 0.40 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.71 1dm8 h VAL 408 Cb 0.38 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1dm8 h VAL 408 CO -0.25 0.06 0.19 -0.07 0.02 0.00 0.00 177.57 177.52 1dm8 h LEU 409 N -0.00 0.37 0.28 2.57 3.38 -0.72 -0.90 115.31 120.29 1dm8 h LEU 409 Ca 0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1dm8 h LEU 409 Cb 0.07 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1dm8 h LEU 409 CO -0.00 0.30 -0.18 -0.74 0.09 0.00 0.00 178.44 177.91 1dm8 h HIS 410 N 0.41 -0.46 -0.42 1.13 2.76 -0.90 -1.13 115.15 116.54 1dm8 h HIS 410 Ca 0.11 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.33 1dm8 h HIS 410 Cb -0.01 0.16 -0.05 0.00 1.55 0.00 0.00 27.41 29.07 1dm8 h HIS 410 CO -0.05 -0.27 0.13 0.77 -1.30 0.00 0.00 177.93 177.21 1dm8 h SER 411 N -0.44 0.12 -0.22 3.26 0.02 -0.88 0.18 113.55 115.59 1dm8 h SER 411 Ca -0.03 0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 1dm8 h SER 411 Cb 0.37 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1dm8 h SER 411 CO 0.02 0.10 -0.07 -0.26 -1.14 0.00 0.00 176.83 175.48 1dm8 h PHE 412 N 0.28 0.62 -0.36 3.45 0.04 -1.07 -1.01 116.94 118.91 1dm8 h PHE 412 Ca 0.20 -0.09 -0.14 0.00 2.80 0.00 0.00 57.97 60.74 1dm8 h PHE 412 Cb 0.20 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 1dm8 h PHE 412 CO -0.16 0.65 -0.34 1.96 -0.60 0.00 0.00 178.31 179.81 1dm8 h GLN 413 N 0.54 0.81 -0.46 1.51 4.20 -0.43 -1.05 115.11 120.23 1dm8 h GLN 413 Ca 0.10 -0.39 -0.06 0.00 0.06 0.00 0.00 58.65 58.36 1dm8 h GLN 413 Cb 0.46 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 1dm8 h GLN 413 CO 0.02 1.02 0.05 1.25 -0.67 0.00 0.00 178.83 180.50 1dm8 h LEU 414 N 0.67 0.75 0.00 1.46 5.85 -0.25 -2.49 115.31 121.31 1dm8 h LEU 414 Ca 0.07 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1dm8 h LEU 414 Cb 0.89 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1dm8 h LEU 414 CO 0.08 0.84 0.00 0.00 -0.34 0.00 0.00 178.44 179.02 1dm8 n ALA 415 N -2.40 2.58 -3.58 1.25 0.00 -0.42 -4.90 120.51 113.04 1dm8 n ALA 415 Ca 0.00 -0.13 -0.20 0.00 0.00 0.00 0.00 53.44 53.11 1dm8 n ALA 415 Cb 0.27 -1.35 0.05 0.00 0.00 0.00 0.00 19.45 18.42 1dm8 n ALA 415 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1dm8 n LYS 416 N -0.85 -4.67 -4.98 0.00 4.76 -0.90 -4.96 118.16 106.55 1dm8 n LYS 416 Ca 0.16 0.69 -0.28 0.00 -2.87 0.00 0.00 58.31 56.01 1dm8 n LYS 416 Cb 0.07 -5.33 -0.16 0.00 -1.84 0.00 0.00 35.03 27.77 1dm8 n LYS 416 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1dm8 s VAL 417 N -3.54 1.67 0.33 -0.18 1.01 -0.45 -4.41 120.40 114.82 1dm8 s VAL 417 Ca 0.10 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 1dm8 s VAL 417 Cb -0.02 -1.44 -0.12 0.00 0.00 0.00 0.00 36.38 34.80 1dm8 s VAL 417 CO 0.79 0.47 1.42 0.41 0.00 0.00 0.00 175.10 178.19 1dm8 n THR 418 N 3.26 1.71 -3.56 3.92 -1.04 -0.37 -4.46 114.28 113.74 1dm8 n THR 418 Ca -0.19 -0.43 -0.11 0.00 -2.04 0.00 0.00 64.05 61.29 1dm8 n THR 418 Cb 0.53 -1.75 -0.05 0.00 -1.82 0.00 0.00 70.33 67.24 1dm8 n THR 418 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1dm8 s ILE 419 N -0.79 0.00 -0.05 12.58 2.07 -1.26 -4.48 121.20 129.26 1dm8 s ILE 419 Ca 0.58 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.83 1dm8 s ILE 419 Cb -0.54 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.07 1dm8 s ILE 419 CO 0.59 0.00 -0.08 0.54 -1.91 0.00 0.00 174.94 174.08 1dm8 s VAL 420 N -1.36 0.83 0.76 4.00 0.11 -0.68 -4.98 120.40 119.08 1dm8 s VAL 420 Ca -0.02 -0.30 -0.11 0.00 -2.93 0.00 0.00 61.98 58.62 1dm8 s VAL 420 Cb -0.00 -0.80 0.04 0.00 -1.53 0.00 0.00 36.38 34.09 1dm8 s VAL 420 CO 0.01 0.29 1.08 1.51 -3.33 0.00 0.00 175.10 174.66 1dm8 s ASP 421 N 0.78 4.84 0.57 3.54 -4.77 -1.26 -1.16 116.67 119.22 1dm8 s ASP 421 Ca -0.13 1.46 0.34 0.00 -3.30 0.00 0.00 52.55 50.93 1dm8 s ASP 421 Cb -0.15 -2.26 1.71 0.00 -1.09 0.00 0.00 42.92 41.13 1dm8 s ASP 421 CO 0.02 -1.77 2.13 1.12 0.70 0.00 0.00 175.17 177.38 1dm8 h HIS 422 N -0.94 0.00 0.09 2.11 2.07 -1.97 -1.23 115.15 115.28 1dm8 h HIS 422 Ca -0.46 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.06 1dm8 h HIS 422 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 1dm8 h HIS 422 CO 0.53 0.05 -0.04 0.45 -3.07 0.00 0.00 177.93 175.85 1dm8 h HIS 423 N 0.00 -0.11 -0.72 6.12 3.86 -1.97 -2.54 115.15 119.79 1dm8 h HIS 423 Ca -0.00 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.26 1dm8 h HIS 423 Cb 0.30 0.04 -0.05 0.00 1.06 0.00 0.00 27.41 28.75 1dm8 h HIS 423 CO 0.00 0.34 0.42 0.00 0.86 0.00 0.00 177.93 179.56 1dm8 h ALA 424 N -0.43 0.96 -0.25 2.45 0.00 -1.93 -1.55 119.26 118.51 1dm8 h ALA 424 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1dm8 h ALA 424 Cb 0.51 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1dm8 h ALA 424 CO 0.02 0.13 0.16 0.00 0.00 0.00 0.00 179.25 179.56 1dm8 h ALA 425 N 1.35 0.31 0.00 0.00 0.00 -1.31 -2.24 119.26 117.38 1dm8 h ALA 425 Ca 0.31 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 1dm8 h ALA 425 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1dm8 h ALA 425 CO -0.16 -0.22 -0.54 1.79 0.00 0.00 0.00 179.25 180.12 1dm8 h THR 426 N 0.33 1.36 -0.44 0.00 1.35 -1.20 -1.93 112.91 112.38 1dm8 h THR 426 Ca 0.09 -1.86 -0.07 0.00 -0.55 0.00 0.00 66.41 64.03 1dm8 h THR 426 Cb -0.03 2.01 -0.02 0.00 -1.73 0.00 0.00 68.15 68.38 1dm8 h THR 426 CO -0.03 0.53 0.02 0.58 -0.25 0.00 0.00 175.52 176.37 1dm8 h VAL 427 N 0.00 1.26 -0.20 6.82 2.07 -1.11 -1.49 116.25 123.60 1dm8 h VAL 427 Ca -0.01 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.44 1dm8 h VAL 427 Cb 0.97 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1dm8 h VAL 427 CO 0.07 0.34 -0.20 0.77 0.02 0.00 0.00 177.57 178.58 1dm8 h SER 428 N 0.60 0.34 -0.63 0.57 4.64 -1.22 -2.27 113.55 115.58 1dm8 h SER 428 Ca 0.13 -0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.26 1dm8 h SER 428 Cb 0.47 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 1dm8 h SER 428 CO 0.02 0.55 0.06 0.15 -0.87 0.00 0.00 176.83 176.74 1dm8 h PHE 429 N 0.32 1.17 -0.35 4.77 3.57 -0.93 -0.58 116.94 124.91 1dm8 h PHE 429 Ca 0.06 -0.18 0.04 0.00 3.53 0.00 0.00 57.97 61.41 1dm8 h PHE 429 Cb 0.54 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 1dm8 h PHE 429 CO 0.01 1.00 0.12 0.52 -2.23 0.00 0.00 178.31 177.74 1dm8 h MET 430 N 1.01 0.27 -0.58 1.11 2.86 -0.73 0.16 114.93 119.01 1dm8 h MET 430 Ca 0.19 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.84 1dm8 h MET 430 Cb 0.50 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 1dm8 h MET 430 CO 0.02 0.18 0.39 -0.22 1.06 0.00 0.00 176.91 178.33 1dm8 h LYS 431 N 0.27 0.68 -0.34 1.72 1.63 -1.03 -1.72 116.57 117.78 1dm8 h LYS 431 Ca 0.16 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.87 1dm8 h LYS 431 Cb 0.13 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 1dm8 h LYS 431 CO -0.16 0.45 0.03 1.25 -3.45 0.00 0.00 179.45 177.57 1dm8 h HIS 432 N 0.70 0.62 -0.60 1.91 2.76 0.57 -0.85 115.15 120.26 1dm8 h HIS 432 Ca 0.23 -0.09 0.09 0.00 -2.20 0.00 0.00 60.37 58.39 1dm8 h HIS 432 Cb 0.06 -0.17 -0.07 0.00 1.55 0.00 0.00 27.41 28.78 1dm8 h HIS 432 CO -0.00 0.66 0.23 -0.07 -1.30 0.00 0.00 177.93 177.45 1dm8 h LEU 433 N 0.40 0.24 -0.27 0.26 3.38 0.09 0.59 115.31 120.00 1dm8 h LEU 433 Ca 0.10 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1dm8 h LEU 433 Cb 0.39 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1dm8 h LEU 433 CO 0.01 0.15 0.08 -0.78 0.09 0.00 0.00 178.44 177.99 1dm8 h ASP 434 N 0.42 0.40 -0.88 -0.43 1.82 -1.16 0.24 116.42 116.84 1dm8 h ASP 434 Ca 0.30 -0.22 0.08 0.00 -0.39 0.00 0.00 57.03 56.81 1dm8 h ASP 434 Cb 0.35 -0.11 -0.07 0.00 0.68 0.00 0.00 39.33 40.18 1dm8 h ASP 434 CO -0.29 0.51 0.54 0.78 -1.61 0.00 0.00 179.24 179.17 1dm8 h ASN 435 N 0.27 0.81 0.57 2.28 2.35 -0.35 -1.73 115.58 119.78 1dm8 h ASN 435 Ca 0.09 0.03 -0.18 0.00 -0.55 0.00 0.00 56.30 55.69 1dm8 h ASN 435 Cb 0.26 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1dm8 h ASN 435 CO -0.00 0.48 -0.78 -0.33 -1.65 0.00 0.00 177.43 175.15 1dm8 h GLU 436 N 0.92 0.16 -0.55 0.81 4.39 -0.64 -1.29 114.58 118.39 1dm8 h GLU 436 Ca 0.41 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.96 1dm8 h GLU 436 Cb 0.30 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 1dm8 h GLU 436 CO -0.22 0.86 0.36 0.37 -1.16 0.00 0.00 179.01 179.23 1dm8 h GLN 437 N 0.10 0.72 -0.25 2.33 5.75 0.35 0.12 115.11 124.22 1dm8 h GLN 437 Ca -0.03 -0.04 -0.17 0.00 -0.15 0.00 0.00 58.65 58.26 1dm8 h GLN 437 Cb 1.37 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 29.75 1dm8 h GLN 437 CO 0.12 0.47 -0.53 0.87 -2.65 0.00 0.00 178.83 177.11 1dm8 h LYS 438 N 0.74 0.74 0.23 1.69 1.57 -1.35 -1.50 116.57 118.68 1dm8 h LYS 438 Ca 0.20 -0.46 -0.32 0.00 -1.87 0.00 0.00 60.65 58.20 1dm8 h LYS 438 Cb -0.09 0.05 0.04 0.00 0.08 0.00 0.00 32.23 32.31 1dm8 h LYS 438 CO -0.04 1.08 -1.41 0.00 -0.57 0.00 0.00 179.45 178.51 1dm8 h ALA 439 N 0.83 -0.13 0.00 3.86 0.00 -0.95 -3.41 119.26 119.45 1dm8 h ALA 439 Ca 0.02 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1dm8 h ALA 439 Cb 1.11 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1dm8 h ALA 439 CO 0.11 0.67 0.00 0.54 0.00 0.00 0.00 179.25 180.58 1dm8 n ARG 440 N -3.75 -0.03 -0.90 0.00 1.74 0.38 -5.02 116.66 109.07 1dm8 n ARG 440 Ca -0.16 -0.28 0.00 0.00 -0.77 0.00 0.00 57.85 56.64 1dm8 n ARG 440 Cb 1.07 -0.76 0.00 0.00 -1.02 0.00 0.00 32.46 31.75 1dm8 n ARG 440 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dm8 n GLY 441 N 0.08 0.46 0.00 -0.13 0.00 -0.56 -4.20 105.19 100.83 1dm8 n GLY 441 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1dm8 n GLY 441 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dm8 n GLY 442 N -2.90 -2.82 3.39 -0.02 0.00 -1.20 -1.26 105.19 100.38 1dm8 n GLY 442 Ca 0.00 -1.32 0.01 0.00 0.00 0.00 0.00 46.02 44.71 1dm8 n GLY 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dm8 s PRO 444 N 2.87 4.27 -0.14 0.00 0.04 -1.26 -4.58 135.00 136.20 1dm8 s PRO 444 Ca 0.08 2.24 -0.11 0.00 0.04 0.00 0.00 61.00 63.24 1dm8 s PRO 444 Cb -0.14 -3.18 0.04 0.00 0.04 0.00 0.00 34.50 31.26 1dm8 s PRO 444 CO -0.20 -0.49 0.35 0.00 0.04 0.00 0.00 177.00 176.70 1dm8 s ALA 445 N 0.85 -0.87 -0.49 8.56 0.00 -0.54 -4.24 121.76 125.03 1dm8 s ALA 445 Ca 0.65 1.07 -0.16 0.00 0.00 0.00 0.00 51.96 53.53 1dm8 s ALA 445 Cb -0.41 -0.63 0.09 0.00 0.00 0.00 0.00 23.12 22.17 1dm8 s ALA 445 CO 0.34 -0.18 0.42 0.34 0.00 0.00 0.00 175.76 176.68 1dm8 s ASP 446 N 0.43 6.15 0.18 0.00 3.68 -0.55 -3.69 116.67 122.88 1dm8 s ASP 446 Ca -0.02 -1.46 -0.14 0.00 2.13 0.00 0.00 52.55 53.06 1dm8 s ASP 446 Cb -0.04 -2.19 0.17 0.00 -1.45 0.00 0.00 42.92 39.41 1dm8 s ASP 446 CO -0.02 -0.71 1.68 -0.25 0.13 0.00 0.00 175.17 176.01 1dm8 h TRP 447 N 8.79 -0.05 -0.41 -5.34 7.01 -1.91 -0.80 115.95 123.24 1dm8 h TRP 447 Ca -0.29 0.04 0.07 0.00 2.11 0.00 0.00 58.89 60.82 1dm8 h TRP 447 Cb 1.11 0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 28.24 1dm8 h TRP 447 CO 0.66 -0.11 0.28 0.00 -2.79 0.00 0.00 178.44 176.48 1dm8 h ALA 448 N 1.43 2.07 0.00 2.65 0.00 -1.92 -1.69 119.26 121.79 1dm8 h ALA 448 Ca 0.24 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.86 1dm8 h ALA 448 Cb 0.36 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1dm8 h ALA 448 CO -0.41 -0.16 -1.67 0.91 0.00 0.00 0.00 179.25 177.93 1dm8 n TRP 449 N -4.47 1.00 -0.04 0.00 7.02 -0.77 -4.24 117.44 115.93 1dm8 n TRP 449 Ca 0.06 0.36 -0.16 0.00 -1.02 0.00 0.00 57.50 56.73 1dm8 n TRP 449 Cb 0.30 -1.17 -0.06 0.00 -2.42 0.00 0.00 31.31 27.96 1dm8 n TRP 449 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1dm8 h ILE 450 N 0.00 1.29 -2.85 -0.99 1.08 -0.76 -3.43 117.51 111.85 1dm8 h ILE 450 Ca -0.27 -1.86 -0.54 0.00 -0.39 0.00 0.00 64.86 61.80 1dm8 h ILE 450 Cb 1.96 1.88 0.00 0.00 -3.07 0.00 0.00 36.82 37.59 1dm8 h ILE 450 CO 0.07 0.59 0.88 -0.69 -0.69 0.00 0.00 178.15 178.32 1dm8 s VAL 451 N -3.88 3.57 0.75 1.67 1.01 -0.67 -4.97 120.40 117.88 1dm8 s VAL 451 Ca -0.11 0.95 -0.15 0.00 0.00 0.00 0.00 61.98 62.67 1dm8 s VAL 451 Cb 0.09 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 1dm8 s VAL 451 CO 0.89 -0.01 0.69 -2.65 0.00 0.00 0.00 175.10 174.02 1dm8 n PRO 452 N 5.52 0.28 0.00 2.72 -0.02 -1.26 -4.89 135.00 137.34 1dm8 n PRO 452 Ca 0.14 0.14 0.09 0.00 -2.02 0.00 0.00 63.50 61.85 1dm8 n PRO 452 Cb 0.43 -1.98 0.41 0.00 -0.02 0.00 0.00 33.50 32.34 1dm8 n PRO 452 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1dm8 n PRO 453 N -1.34 0.08 -4.06 0.52 -0.04 -1.26 -4.32 135.00 124.57 1dm8 n PRO 453 Ca 0.11 0.17 -0.09 0.00 -0.04 0.00 0.00 63.50 63.64 1dm8 n PRO 453 Cb 0.50 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.36 1dm8 n PRO 453 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1dm8 s ILE 454 N -2.87 0.30 -1.41 0.52 -4.36 -1.26 -4.87 121.20 107.25 1dm8 s ILE 454 Ca 0.11 -1.42 -0.11 0.00 -0.26 0.00 0.00 60.65 58.97 1dm8 s ILE 454 Cb 0.12 -0.99 0.08 0.00 1.25 0.00 0.00 42.46 42.92 1dm8 s ILE 454 CO 0.31 -0.72 0.63 -1.20 0.24 0.00 0.00 174.94 174.20 1dm8 n SER 455 N 0.78 -4.08 -0.10 4.36 7.64 -1.26 -4.89 113.62 116.08 1dm8 n SER 455 Ca -0.18 -0.54 -0.06 0.00 1.01 0.00 0.00 58.87 59.10 1dm8 n SER 455 Cb 0.58 -3.33 -0.04 0.00 -1.01 0.00 0.00 64.21 60.40 1dm8 n SER 455 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1dm8 h GLY 456 N -1.29 -1.62 1.82 0.23 0.00 -1.90 -0.86 103.07 99.45 1dm8 h GLY 456 Ca -0.49 0.84 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1dm8 h GLY 456 CO 0.60 -0.49 0.00 -1.14 0.00 0.00 0.00 176.54 175.51 1dm8 n SER 457 N -3.93 0.00 -0.01 0.19 3.41 -1.26 -1.56 113.62 110.45 1dm8 n SER 457 Ca -0.01 0.34 0.14 0.00 -0.26 0.00 0.00 58.87 59.08 1dm8 n SER 457 Cb 0.14 -0.41 0.64 0.00 -0.26 0.00 0.00 64.21 64.32 1dm8 n SER 457 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1dm8 n LEU 458 N -1.41 0.08 -4.75 1.04 4.77 -0.33 -4.79 117.00 111.60 1dm8 n LEU 458 Ca 0.04 0.35 -0.28 0.00 -0.03 0.00 0.00 56.01 56.09 1dm8 n LEU 458 Cb 0.12 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 40.76 1dm8 n LEU 458 CO 0.10 0.02 -0.27 0.42 -1.33 0.00 0.00 177.39 176.33 1dm8 s THR 459 N -2.81 4.29 0.39 -5.08 -4.23 -0.60 -5.04 115.64 102.56 1dm8 s THR 459 Ca 0.20 -1.06 0.06 0.00 -1.18 0.00 0.00 61.69 59.71 1dm8 s THR 459 Cb 0.19 -3.14 0.24 0.00 1.34 0.00 0.00 72.50 71.14 1dm8 s THR 459 CO 0.52 -0.03 2.02 1.55 -0.54 0.00 0.00 174.62 178.14 1dm8 h PRO 460 N 2.80 0.55 0.00 3.99 0.13 -1.86 -2.99 132.00 134.62 1dm8 h PRO 460 Ca -0.47 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 1dm8 h PRO 460 Cb 1.19 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1dm8 h PRO 460 CO 0.62 0.40 -0.08 -0.39 -0.23 0.00 0.00 178.00 178.33 1dm8 h VAL 461 N 0.56 0.46 -0.63 1.56 -1.51 -1.89 -2.44 116.25 112.36 1dm8 h VAL 461 Ca 0.15 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 1dm8 h VAL 461 Cb 0.01 1.25 -0.03 0.00 -2.13 0.00 0.00 31.29 30.39 1dm8 h VAL 461 CO -0.02 0.07 0.40 0.15 -1.23 0.00 0.00 177.57 176.94 1dm8 h PHE 462 N 0.00 0.80 -0.12 5.19 3.57 -1.72 -2.02 116.94 122.64 1dm8 h PHE 462 Ca -0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1dm8 h PHE 462 Cb 0.24 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1dm8 h PHE 462 CO 0.00 0.52 0.00 0.72 -2.23 0.00 0.00 178.31 177.32 1dm8 n HIS 463 N -4.42 0.15 -3.72 0.41 8.25 -0.92 -4.83 115.22 110.13 1dm8 n HIS 463 Ca 0.06 -0.07 -0.37 0.00 -0.26 0.00 0.00 57.72 57.08 1dm8 n HIS 463 Cb 0.06 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.05 1dm8 n HIS 463 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1dm8 s GLN 464 N -1.85 3.80 0.66 -0.41 2.00 -0.76 -0.99 119.66 122.10 1dm8 s GLN 464 Ca 0.33 -0.41 -0.14 0.00 -2.00 0.00 0.00 55.36 53.14 1dm8 s GLN 464 Cb 0.17 -3.44 -0.00 0.00 0.80 0.00 0.00 33.01 30.55 1dm8 s GLN 464 CO 0.27 -0.14 1.09 -1.21 -0.50 0.00 0.00 175.29 174.80 1dm8 s GLU 465 N 1.54 2.89 0.01 1.67 2.02 -0.81 -4.99 118.70 121.02 1dm8 s GLU 465 Ca 0.06 1.28 -0.06 0.00 0.02 0.00 0.00 54.97 56.27 1dm8 s GLU 465 Cb -0.15 -1.97 -0.00 0.00 0.10 0.00 0.00 34.13 32.11 1dm8 s GLU 465 CO 0.06 -1.16 0.12 -1.64 0.02 0.00 0.00 175.26 172.65 1dm8 s MET 466 N -4.26 0.49 -0.12 1.61 -1.94 -1.26 -4.81 119.30 109.00 1dm8 s MET 466 Ca 0.65 -0.47 -0.00 0.00 -1.71 0.00 0.00 55.69 54.16 1dm8 s MET 466 Cb -0.18 0.20 -0.02 0.00 2.01 0.00 0.00 34.83 36.84 1dm8 s MET 466 CO 0.43 -0.12 -0.12 0.08 -0.01 0.00 0.00 175.02 175.29 1dm8 s VAL 467 N -1.56 3.19 -0.11 -6.03 1.01 -1.26 -4.93 120.40 110.71 1dm8 s VAL 467 Ca -0.14 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1dm8 s VAL 467 Cb -0.07 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 1dm8 s VAL 467 CO 0.01 0.53 -0.16 0.21 0.00 0.00 0.00 175.10 175.69 1dm8 s ASN 468 N 0.21 3.82 0.26 3.32 2.47 -1.24 -1.47 114.94 122.31 1dm8 s ASN 468 Ca -0.07 -0.35 -0.19 0.00 0.42 0.00 0.00 52.86 52.66 1dm8 s ASN 468 Cb -0.15 -1.43 0.02 0.00 -1.45 0.00 0.00 41.25 38.24 1dm8 s ASN 468 CO 0.05 0.19 0.64 -0.72 -3.72 0.00 0.00 177.10 173.54 1dm8 s TYR 469 N 0.16 -0.09 -0.29 0.43 -0.85 -1.26 -4.95 117.35 110.51 1dm8 s TYR 469 Ca -0.09 -0.32 -0.12 0.00 -0.52 0.00 0.00 57.07 56.03 1dm8 s TYR 469 Cb -0.15 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.70 1dm8 s TYR 469 CO 0.05 -1.13 0.21 0.42 -1.52 0.00 0.00 175.55 173.59 1dm8 s ILE 470 N -3.92 5.29 0.15 -3.49 1.01 -1.26 -4.85 121.20 114.13 1dm8 s ILE 470 Ca 0.13 0.15 0.10 0.00 0.00 0.00 0.00 60.65 61.02 1dm8 s ILE 470 Cb -0.04 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 1dm8 s ILE 470 CO 0.05 0.20 -0.18 -0.76 0.00 0.00 0.00 174.94 174.26 1dm8 s LEU 471 N 1.78 2.69 0.04 2.97 1.43 -1.26 -4.07 118.68 122.26 1dm8 s LEU 471 Ca 0.08 -0.65 0.08 0.00 -1.03 0.00 0.00 54.13 52.61 1dm8 s LEU 471 Cb -0.16 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 1dm8 s LEU 471 CO 0.11 0.14 -0.24 -0.55 0.23 0.00 0.00 176.35 176.04 1dm8 s SER 472 N -2.47 2.85 0.82 2.29 0.15 -1.26 -4.20 113.70 111.89 1dm8 s SER 472 Ca 0.20 -0.55 -0.16 0.00 0.70 0.00 0.00 55.95 56.15 1dm8 s SER 472 Cb -0.09 -0.26 -0.06 0.00 -1.71 0.00 0.00 66.02 63.90 1dm8 s SER 472 CO 0.11 0.22 0.08 -2.65 1.20 0.00 0.00 173.24 172.20 1dm8 n PRO 473 N 1.87 0.04 -3.51 5.44 -0.02 -1.26 -5.00 135.00 132.56 1dm8 n PRO 473 Ca -0.17 0.04 -0.17 0.00 -2.02 0.00 0.00 63.50 61.19 1dm8 n PRO 473 Cb 0.52 -1.52 -0.05 0.00 -0.02 0.00 0.00 33.50 32.43 1dm8 n PRO 473 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dm8 s ALA 474 N -2.06 -1.70 -0.16 3.55 0.00 -0.65 -4.27 121.76 116.47 1dm8 s ALA 474 Ca 0.56 1.10 -0.08 0.00 0.00 0.00 0.00 51.96 53.54 1dm8 s ALA 474 Cb -0.29 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1dm8 s ALA 474 CO 0.68 -0.46 0.13 -0.06 0.00 0.00 0.00 175.76 176.05 1dm8 s PHE 475 N -1.77 3.47 0.21 0.00 0.40 -1.26 -0.93 117.98 118.10 1dm8 s PHE 475 Ca -0.08 0.39 0.02 0.00 -0.60 0.00 0.00 56.93 56.66 1dm8 s PHE 475 Cb -0.00 -2.06 -0.05 0.00 0.51 0.00 0.00 43.02 41.42 1dm8 s PHE 475 CO 0.05 0.47 0.03 1.03 0.70 0.00 0.00 175.22 177.50 1dm8 s ARG 476 N -0.24 1.24 0.32 0.44 0.52 0.44 -4.95 118.95 116.72 1dm8 s ARG 476 Ca 0.11 -1.63 -0.10 0.00 -0.52 0.00 0.00 55.73 53.59 1dm8 s ARG 476 Cb -0.11 -0.32 -0.07 0.00 0.52 0.00 0.00 34.95 34.97 1dm8 s ARG 476 CO 0.01 -0.18 0.66 0.71 0.02 0.00 0.00 175.30 176.51 1dm8 s TYR 477 N -3.65 3.44 0.05 -0.53 2.02 -1.26 -0.34 117.35 117.08 1dm8 s TYR 477 Ca 0.29 0.94 -0.03 0.00 -0.37 0.00 0.00 57.07 57.90 1dm8 s TYR 477 Cb 0.07 -2.33 -0.02 0.00 -0.40 0.00 0.00 41.96 39.27 1dm8 s TYR 477 CO 0.08 0.09 0.04 1.14 -1.57 0.00 0.00 175.55 175.33 1dm8 s GLN 478 N -3.34 0.63 0.48 -0.62 -2.07 -1.26 -4.19 119.66 109.28 1dm8 s GLN 478 Ca 0.49 -1.02 -0.24 0.00 -1.82 0.00 0.00 55.36 52.78 1dm8 s GLN 478 Cb -0.11 0.23 -0.08 0.00 -1.09 0.00 0.00 33.01 31.97 1dm8 s GLN 478 CO 0.26 -0.14 1.29 -2.30 -1.32 0.00 0.00 175.29 173.07 1dm8 n PRO 479 N 0.34 1.81 -2.11 9.60 -0.02 -1.26 -4.94 135.00 138.41 1dm8 n PRO 479 Ca -0.16 0.65 -0.41 0.00 -2.02 0.00 0.00 63.50 61.56 1dm8 n PRO 479 Cb 0.60 -2.45 -0.02 0.00 -0.02 0.00 0.00 33.50 31.61 1dm8 n PRO 479 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1dm8 s ASP 480 N -0.70 6.77 0.00 2.55 -0.00 -1.26 -4.89 116.67 119.14 1dm8 s ASP 480 Ca 0.65 2.68 0.04 0.00 -0.00 0.00 0.00 52.55 55.92 1dm8 s ASP 480 Cb -0.46 -2.65 0.21 0.00 -0.00 0.00 0.00 42.92 40.02 1dm8 s ASP 480 CO 0.54 -0.55 0.55 -0.81 -0.00 0.00 0.00 175.17 174.91 1dm8 n PRO 481 N 0.94 0.22 0.00 8.23 -0.04 -1.26 -5.22 135.00 137.87 1dm8 n PRO 481 Ca 0.01 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.47 1dm8 n PRO 481 Cb 0.42 -1.25 0.01 0.00 -0.04 0.00 0.00 33.50 32.63 1dm8 n PRO 481 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79