#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dm6 s PHE 70 N 0.00 3.28 0.26 5.64 0.40 -1.26 -4.91 117.98 121.38 1dm6 s PHE 70 Ca 0.00 -1.13 -0.30 0.00 -0.60 0.00 0.00 56.93 54.91 1dm6 s PHE 70 Cb 0.00 -3.06 -0.10 0.00 0.51 0.00 0.00 43.02 40.37 1dm6 s PHE 70 CO 0.00 -0.81 1.36 -1.25 0.70 0.00 0.00 175.22 175.22 1dm6 s PRO 71 N 1.57 4.33 -0.22 0.24 0.04 -1.26 -4.84 135.00 134.86 1dm6 s PRO 71 Ca 0.04 2.20 -0.26 0.00 0.04 0.00 0.00 61.00 63.01 1dm6 s PRO 71 Cb -0.24 -3.12 -0.00 0.00 0.04 0.00 0.00 34.50 31.18 1dm6 s PRO 71 CO 0.05 -0.30 0.91 0.50 0.04 0.00 0.00 177.00 178.21 1dm6 s ARG 72 N -0.73 4.24 -0.22 4.56 3.52 -1.26 -2.40 118.95 126.66 1dm6 s ARG 72 Ca 0.55 1.12 -0.04 0.00 -0.13 0.00 0.00 55.73 57.23 1dm6 s ARG 72 Cb -0.40 -3.63 -0.01 0.00 -1.56 0.00 0.00 34.95 29.36 1dm6 s ARG 72 CO 0.45 -0.52 -0.03 0.08 -0.81 0.00 0.00 175.30 174.46 1dm6 s VAL 73 N 2.82 3.47 0.03 7.11 1.01 0.77 -4.98 120.40 130.63 1dm6 s VAL 73 Ca 0.39 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.96 1dm6 s VAL 73 Cb -0.16 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1dm6 s VAL 73 CO 0.08 0.42 -0.10 -0.75 0.00 0.00 0.00 175.10 174.75 1dm6 s LYS 74 N 1.40 2.37 -0.31 2.72 2.20 -1.26 -1.05 119.74 125.80 1dm6 s LYS 74 Ca 0.05 -0.83 -0.10 0.00 -0.36 0.00 0.00 55.97 54.73 1dm6 s LYS 74 Cb -0.14 -2.39 -0.00 0.00 -1.51 0.00 0.00 37.83 33.78 1dm6 s LYS 74 CO -0.02 0.57 0.15 1.21 -0.36 0.00 0.00 175.35 176.90 1dm6 s ASN 75 N -1.54 5.54 0.19 1.43 3.84 -0.68 -1.69 114.94 122.03 1dm6 s ASN 75 Ca 0.17 -0.56 0.24 0.00 0.21 0.00 0.00 52.86 52.93 1dm6 s ASN 75 Cb -0.11 -2.00 0.91 0.00 -0.55 0.00 0.00 41.25 39.50 1dm6 s ASN 75 CO 0.08 -0.20 1.74 0.79 -2.79 0.00 0.00 177.10 176.71 1dm6 n TRP 76 N 4.98 0.70 -0.07 0.43 7.02 0.76 -0.06 117.44 131.20 1dm6 n TRP 76 Ca -0.14 0.24 -0.14 0.00 -1.02 0.00 0.00 57.50 56.44 1dm6 n TRP 76 Cb 0.49 -0.88 -0.13 0.00 -2.42 0.00 0.00 31.31 28.36 1dm6 n TRP 76 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1dm6 h GLU 77 N 0.00 -0.00 0.00 -0.99 4.81 -1.94 -3.38 114.58 113.08 1dm6 h GLU 77 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1dm6 h GLU 77 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1dm6 h GLU 77 CO 0.00 0.99 -1.08 1.28 -0.73 0.00 0.00 179.01 179.48 1dm6 n LEU 78 N -4.61 0.60 0.00 1.64 4.77 -1.23 -4.98 117.00 113.19 1dm6 n LEU 78 Ca -0.10 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1dm6 n LEU 78 Cb 0.48 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1dm6 n LEU 78 CO 0.34 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1dm6 n GLY 79 N 1.36 0.87 3.78 -0.72 0.00 0.92 -5.01 105.19 106.39 1dm6 n GLY 79 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1dm6 n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dm6 s SER 80 N -2.81 5.24 -0.00 1.61 1.04 -1.22 -4.80 113.70 112.76 1dm6 s SER 80 Ca 0.00 1.92 0.02 0.00 0.48 0.00 0.00 55.95 58.37 1dm6 s SER 80 Cb 0.00 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.57 1dm6 s SER 80 CO 0.00 -1.54 -0.07 -0.63 0.98 0.00 0.00 173.24 171.98 1dm6 s ILE 81 N -2.44 0.55 0.21 -1.02 1.01 -1.26 -1.68 121.20 116.56 1dm6 s ILE 81 Ca 0.65 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.94 1dm6 s ILE 81 Cb -0.19 -0.48 -0.05 0.00 0.01 0.00 0.00 42.46 41.76 1dm6 s ILE 81 CO 0.42 0.11 0.09 0.42 0.00 0.00 0.00 174.94 175.98 1dm6 s THR 82 N -0.26 0.33 -0.09 2.92 -4.23 -0.22 -4.99 115.64 109.11 1dm6 s THR 82 Ca 0.02 -1.98 0.01 0.00 -1.18 0.00 0.00 61.69 58.56 1dm6 s THR 82 Cb -0.03 -2.43 0.02 0.00 1.34 0.00 0.00 72.50 71.40 1dm6 s THR 82 CO -0.00 -0.14 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.52 1dm6 s TYR 83 N -3.91 1.50 -0.45 3.99 1.51 -1.26 -0.16 117.35 118.57 1dm6 s TYR 83 Ca 0.34 -0.65 -0.25 0.00 -1.01 0.00 0.00 57.07 55.50 1dm6 s TYR 83 Cb 0.07 -1.16 0.03 0.00 -0.11 0.00 0.00 41.96 40.79 1dm6 s TYR 83 CO 0.10 -0.39 0.91 0.34 -1.11 0.00 0.00 175.55 175.40 1dm6 s ASP 84 N 1.10 6.51 -0.01 2.29 -1.08 -1.01 -4.75 116.67 119.73 1dm6 s ASP 84 Ca -0.06 0.16 0.16 0.00 -0.52 0.00 0.00 52.55 52.29 1dm6 s ASP 84 Cb -0.14 -2.44 -0.20 0.00 -1.46 0.00 0.00 42.92 38.67 1dm6 s ASP 84 CO -0.02 -1.01 0.57 0.35 0.52 0.00 0.00 175.17 175.58 1dm6 n THR 85 N 6.33 0.00 0.20 1.71 -2.24 -0.39 -4.04 114.28 115.84 1dm6 n THR 85 Ca 0.06 -0.21 0.05 0.00 -2.27 0.00 0.00 64.05 61.67 1dm6 n THR 85 Cb 0.48 0.69 0.43 0.00 -2.10 0.00 0.00 70.33 69.83 1dm6 n THR 85 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1dm6 h LEU 86 N 0.00 0.00 -2.48 3.22 5.85 -1.69 -2.90 115.31 117.31 1dm6 h LEU 86 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1dm6 h LEU 86 Cb 0.51 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 1dm6 h LEU 86 CO 0.00 0.31 -0.02 0.00 -0.34 0.00 0.00 178.44 178.39 1dm6 h ALA 88 N 1.98 1.04 0.00 0.00 0.00 -1.82 -1.53 119.26 118.92 1dm6 h ALA 88 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1dm6 h ALA 88 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1dm6 h ALA 88 CO 0.00 0.02 0.00 1.04 0.00 0.00 0.00 179.25 180.31 1dm6 n GLN 89 N -3.16 0.35 -2.09 0.00 1.13 -0.48 -4.85 117.38 108.28 1dm6 n GLN 89 Ca -0.01 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.63 1dm6 n GLN 89 Cb 0.19 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.01 1dm6 n GLN 89 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1dm6 s SER 90 N -2.64 6.74 0.00 1.08 0.15 -0.58 -4.90 113.70 113.55 1dm6 s SER 90 Ca 0.26 2.41 0.07 0.00 0.70 0.00 0.00 55.95 59.38 1dm6 s SER 90 Cb 0.20 -2.59 -0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1dm6 s SER 90 CO 0.47 -0.72 0.50 0.00 1.20 0.00 0.00 173.24 174.69 1dm6 n GLN 91 N 4.15 2.40 -4.98 5.44 1.13 -1.26 -4.99 117.38 119.28 1dm6 n GLN 91 Ca 0.13 -0.47 -0.32 0.00 -1.94 0.00 0.00 57.00 54.39 1dm6 n GLN 91 Cb 0.41 -0.97 -0.15 0.00 0.11 0.00 0.00 30.24 29.64 1dm6 n GLN 91 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1dm6 s GLN 92 N -1.07 3.18 0.28 -1.09 2.00 -1.26 -5.12 119.66 116.58 1dm6 s GLN 92 Ca 0.05 -0.77 -0.29 0.00 -2.00 0.00 0.00 55.36 52.35 1dm6 s GLN 92 Cb 0.05 -2.47 -0.09 0.00 0.80 0.00 0.00 33.01 31.30 1dm6 s GLN 92 CO 0.17 0.22 1.08 -0.51 -0.50 0.00 0.00 175.29 175.75 1dm6 s ASP 93 N 0.28 7.31 0.46 6.67 -0.00 -1.26 -4.38 116.67 125.75 1dm6 s ASP 93 Ca -0.13 2.22 -0.00 0.00 -0.00 0.00 0.00 52.55 54.64 1dm6 s ASP 93 Cb -0.16 -2.62 0.00 0.00 -0.00 0.00 0.00 42.92 40.13 1dm6 s ASP 93 CO 0.07 -0.10 0.02 0.61 -0.00 0.00 0.00 175.17 175.76 1dm6 n GLY 94 N 1.22 0.54 0.06 0.21 0.00 -1.26 -4.97 105.19 100.99 1dm6 n GLY 94 Ca -0.01 -1.92 0.13 0.00 0.00 0.00 0.00 46.02 44.21 1dm6 n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dm6 n PRO 95 N -1.04 0.24 -2.26 1.61 -0.04 -1.26 -4.95 135.00 127.30 1dm6 n PRO 95 Ca 0.00 -0.12 -0.28 0.00 -0.04 0.00 0.00 63.50 63.05 1dm6 n PRO 95 Cb 0.01 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 31.99 1dm6 n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1dm6 s THR 97 N -3.01 0.04 0.55 0.00 -4.23 -1.03 -5.02 115.64 102.93 1dm6 s THR 97 Ca 0.53 -1.30 0.42 0.00 -1.18 0.00 0.00 61.69 60.16 1dm6 s THR 97 Cb -0.11 -1.92 0.43 0.00 1.34 0.00 0.00 72.50 72.24 1dm6 s THR 97 CO 0.48 -0.16 2.29 -0.65 -0.54 0.00 0.00 174.62 176.04 1dm6 h PRO 98 N 2.39 0.00 0.12 3.99 0.11 -2.05 -2.71 132.00 133.86 1dm6 h PRO 98 Ca -0.30 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.56 1dm6 h PRO 98 Cb 1.24 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.38 1dm6 h PRO 98 CO 0.42 0.00 -1.07 -0.09 -0.21 0.00 0.00 178.00 177.05 1dm6 h ARG 99 N 0.00 0.51 -2.32 1.05 2.43 -2.02 -3.47 114.38 110.56 1dm6 h ARG 99 Ca 0.00 -0.71 -0.08 0.00 -0.81 0.00 0.00 59.98 58.38 1dm6 h ARG 99 Cb 0.08 0.24 -0.22 0.00 -0.42 0.00 0.00 29.97 29.66 1dm6 h ARG 99 CO 0.00 1.31 -0.01 -0.98 -1.51 0.00 0.00 179.97 178.78 1dm6 s ARG 100 N -2.84 0.74 -0.12 0.20 3.03 -1.02 -5.15 118.95 113.79 1dm6 s ARG 100 Ca -0.11 0.67 -0.18 0.00 2.03 0.00 0.00 55.73 58.14 1dm6 s ARG 100 Cb 0.04 0.36 -0.04 0.00 -1.03 0.00 0.00 34.95 34.27 1dm6 s ARG 100 CO 0.89 -0.12 0.46 0.00 -1.13 0.00 0.00 175.30 175.40 1dm6 n LEU 102 N 3.61 2.94 0.22 0.00 4.77 -1.26 -4.80 117.00 122.48 1dm6 n LEU 102 Ca -0.08 -3.68 0.17 0.00 -0.03 0.00 0.00 56.01 52.40 1dm6 n LEU 102 Cb 0.52 -0.53 0.85 0.00 -2.33 0.00 0.00 43.42 41.92 1dm6 n LEU 102 CO 0.43 1.21 1.15 1.23 -1.33 0.00 0.00 177.39 180.07 1dm6 h GLY 103 N 0.83 0.00 1.89 -0.72 0.00 -1.94 -1.80 103.07 101.33 1dm6 h GLY 103 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1dm6 h GLY 103 CO 0.08 0.00 -0.06 -1.14 0.00 0.00 0.00 176.54 175.42 1dm6 n SER 104 N -3.73 0.25 -4.71 0.19 3.41 -1.26 -4.83 113.62 102.93 1dm6 n SER 104 Ca 0.01 0.44 -0.42 0.00 -0.26 0.00 0.00 58.87 58.64 1dm6 n SER 104 Cb 0.31 -0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 63.75 1dm6 n SER 104 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1dm6 s LEU 105 N -3.38 4.37 -0.00 1.04 1.02 -0.68 -4.95 118.68 116.09 1dm6 s LEU 105 Ca 0.13 2.37 -0.25 0.00 0.02 0.00 0.00 54.13 56.39 1dm6 s LEU 105 Cb 0.17 -3.59 -0.19 0.00 0.02 0.00 0.00 46.19 42.60 1dm6 s LEU 105 CO 0.57 -0.69 1.33 0.58 0.02 0.00 0.00 176.35 178.16 1dm6 h VAL 106 N 4.26 1.30 -2.59 -1.59 2.07 -1.89 -3.46 116.25 114.35 1dm6 h VAL 106 Ca -0.42 -0.96 -0.60 0.00 0.82 0.00 0.00 66.70 65.55 1dm6 h VAL 106 Cb 1.21 1.95 -0.12 0.00 -1.52 0.00 0.00 31.29 32.80 1dm6 h VAL 106 CO 0.88 0.25 -0.70 -0.76 0.02 0.00 0.00 177.57 177.26 1dm6 s LEU 107 N -9.38 3.02 0.42 2.57 1.43 -1.26 -5.12 118.68 110.35 1dm6 s LEU 107 Ca -0.15 -0.66 -0.23 0.00 -1.03 0.00 0.00 54.13 52.06 1dm6 s LEU 107 Cb 0.02 -1.62 -0.09 0.00 0.03 0.00 0.00 46.19 44.54 1dm6 s LEU 107 CO 0.67 0.06 1.05 -2.84 0.23 0.00 0.00 176.35 175.51 1dm6 s PRO 108 N -3.24 4.10 0.05 1.29 0.02 -1.26 -4.96 135.00 130.99 1dm6 s PRO 108 Ca 0.28 1.48 0.03 0.00 0.02 0.00 0.00 61.00 62.81 1dm6 s PRO 108 Cb -0.07 -2.45 -0.25 0.00 0.02 0.00 0.00 34.50 31.75 1dm6 s PRO 108 CO 0.17 -0.19 1.03 -0.09 -0.33 0.00 0.00 177.00 177.58 1dm6 h ARG 109 N 2.32 0.12 0.00 5.54 9.65 -2.00 -3.43 114.38 126.59 1dm6 h ARG 109 Ca -0.48 -0.21 0.00 0.00 -1.10 0.00 0.00 59.98 58.18 1dm6 h ARG 109 Cb 1.22 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.87 1dm6 h ARG 109 CO 0.62 0.99 -0.34 1.17 2.80 0.00 0.00 179.97 185.21 1dm6 n LYS 110 N -3.36 1.33 0.00 0.20 3.00 -1.26 -4.82 118.16 113.24 1dm6 n LYS 110 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.22 1dm6 n LYS 110 Cb 1.00 -0.67 0.00 0.00 0.00 0.00 0.00 35.03 35.37 1dm6 n LYS 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1dm6 n LEU 111 N -1.02 0.15 0.00 3.14 4.32 -1.26 -4.72 117.00 117.61 1dm6 n LEU 111 Ca 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 56.01 55.92 1dm6 n LEU 111 Cb 0.17 -0.03 0.00 0.00 -1.62 0.00 0.00 43.42 41.94 1dm6 n LEU 111 CO 0.00 0.03 0.00 1.67 -1.22 0.00 0.00 177.39 177.87 1dm6 n GLN 112 N 0.82 -0.60 -3.49 3.23 -0.06 -1.26 -4.92 117.38 111.10 1dm6 n GLN 112 Ca 0.00 0.00 -0.27 0.00 -2.00 0.00 0.00 57.00 54.73 1dm6 n GLN 112 Cb 0.03 0.00 -0.09 0.00 -4.06 0.00 0.00 30.24 26.12 1dm6 n GLN 112 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 1dm6 n THR 113 N -2.09 1.20 -1.03 1.69 -1.04 -1.26 -5.07 114.28 106.67 1dm6 n THR 113 Ca 0.00 -4.70 -0.36 0.00 -2.04 0.00 0.00 64.05 56.95 1dm6 n THR 113 Cb 0.00 -2.05 0.06 0.00 -1.82 0.00 0.00 70.33 66.52 1dm6 n THR 113 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1dm6 n ARG 114 N 1.44 -0.02 -0.96 -2.82 5.12 -1.26 -4.79 116.66 113.37 1dm6 n ARG 114 Ca 0.26 0.01 -0.37 0.00 -1.93 0.00 0.00 57.85 55.82 1dm6 n ARG 114 Cb 0.43 -1.28 0.05 0.00 -1.16 0.00 0.00 32.46 30.50 1dm6 n ARG 114 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1dm6 n PRO 115 N 1.10 -0.15 -2.54 5.56 -0.02 -1.26 -4.97 135.00 132.72 1dm6 n PRO 115 Ca 0.03 -0.04 -0.21 0.00 -2.02 0.00 0.00 63.50 61.26 1dm6 n PRO 115 Cb 0.53 -1.13 0.01 0.00 -0.02 0.00 0.00 33.50 32.89 1dm6 n PRO 115 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1dm6 n SER 116 N 2.67 3.56 0.11 2.55 2.88 -1.26 -4.83 113.62 119.30 1dm6 n SER 116 Ca -0.01 -3.36 -0.01 0.00 -1.33 0.00 0.00 58.87 54.15 1dm6 n SER 116 Cb 0.63 -0.48 -0.00 0.00 -0.75 0.00 0.00 64.21 63.61 1dm6 n SER 116 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1dm6 h PRO 117 N 2.72 0.00 -6.78 -1.46 0.13 -1.90 0.34 132.00 125.05 1dm6 h PRO 117 Ca 0.16 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.61 1dm6 h PRO 117 Cb 1.02 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.95 1dm6 h PRO 117 CO 0.72 0.71 -0.84 0.20 -0.23 0.00 0.00 178.00 178.56 1dm6 s GLY 118 N -4.56 1.64 0.18 1.56 0.00 -1.26 -0.59 107.32 104.29 1dm6 s GLY 118 Ca 0.02 -1.50 -0.32 0.00 0.00 0.00 0.00 44.72 42.92 1dm6 s GLY 118 CO 0.77 -1.50 1.61 2.56 0.00 0.00 0.00 173.10 176.54 1dm6 s PRO 119 N -2.27 4.19 0.47 2.90 0.04 -1.26 -4.80 135.00 134.27 1dm6 s PRO 119 Ca 0.17 2.43 -0.25 0.00 0.04 0.00 0.00 61.00 63.40 1dm6 s PRO 119 Cb -0.09 -3.13 -0.08 0.00 0.04 0.00 0.00 34.50 31.24 1dm6 s PRO 119 CO 0.08 -0.64 1.41 -1.25 0.04 0.00 0.00 177.00 176.64 1dm6 s PRO 120 N 1.06 3.57 -0.46 0.56 0.04 -1.26 -4.80 135.00 133.71 1dm6 s PRO 120 Ca 0.71 2.38 -0.42 0.00 0.04 0.00 0.00 61.00 63.70 1dm6 s PRO 120 Cb -0.45 -2.57 -0.18 0.00 0.04 0.00 0.00 34.50 31.34 1dm6 s PRO 120 CO 0.32 -0.90 2.09 -2.30 0.04 0.00 0.00 177.00 176.26 1dm6 n PRO 121 N -0.37 0.24 -0.32 0.56 -0.02 -1.26 -4.73 135.00 129.10 1dm6 n PRO 121 Ca 0.06 0.07 0.13 0.00 -2.02 0.00 0.00 63.50 61.74 1dm6 n PRO 121 Cb 0.42 -1.70 0.27 0.00 -0.02 0.00 0.00 33.50 32.47 1dm6 n PRO 121 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dm6 h ALA 122 N 9.26 1.12 0.05 3.55 0.00 -1.91 0.15 119.26 131.49 1dm6 h ALA 122 Ca -0.17 0.30 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1dm6 h ALA 122 Cb 1.39 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 1dm6 h ALA 122 CO 1.06 -0.53 -0.08 0.93 0.00 0.00 0.00 179.25 180.64 1dm6 h GLU 123 N 0.06 -0.16 -0.20 0.00 4.39 -1.99 0.22 114.58 116.91 1dm6 h GLU 123 Ca 0.56 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.26 1dm6 h GLU 123 Cb 1.12 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.80 1dm6 h GLU 123 CO -0.82 -0.11 0.10 0.37 -1.16 0.00 0.00 179.01 177.39 1dm6 h GLN 124 N -0.17 0.29 -0.65 2.33 5.75 -1.19 -1.86 115.11 119.61 1dm6 h GLN 124 Ca 0.01 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.43 1dm6 h GLN 124 Cb 0.18 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 1dm6 h GLN 124 CO -0.05 0.31 0.23 1.25 -2.65 0.00 0.00 178.83 177.92 1dm6 h LEU 125 N 0.20 0.92 -1.07 -2.39 5.85 -0.72 -2.13 115.31 115.97 1dm6 h LEU 125 Ca 0.07 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 1dm6 h LEU 125 Cb 0.11 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1dm6 h LEU 125 CO -0.01 0.87 0.26 0.25 -0.34 0.00 0.00 178.44 179.47 1dm6 h LEU 126 N 0.93 0.85 -0.37 2.25 5.85 -0.40 0.22 115.31 124.63 1dm6 h LEU 126 Ca 0.21 -0.11 -0.17 0.00 0.84 0.00 0.00 57.88 58.65 1dm6 h LEU 126 Cb 0.26 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1dm6 h LEU 126 CO -0.01 0.75 -0.48 0.77 -0.34 0.00 0.00 178.44 179.13 1dm6 h SER 127 N 0.92 0.95 -0.43 1.25 4.64 -1.10 -0.72 113.55 119.06 1dm6 h SER 127 Ca 0.22 -0.48 -0.09 0.00 -0.47 0.00 0.00 61.79 60.97 1dm6 h SER 127 Cb 0.16 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 1dm6 h SER 127 CO -0.02 1.27 -0.07 1.56 -0.87 0.00 0.00 176.83 178.70 1dm6 h GLN 128 N 0.69 0.87 -0.12 4.77 4.20 -1.05 -2.28 115.11 122.18 1dm6 h GLN 128 Ca 0.03 -0.28 -0.04 0.00 0.06 0.00 0.00 58.65 58.42 1dm6 h GLN 128 Cb 1.07 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.78 1dm6 h GLN 128 CO 0.11 0.91 -0.10 0.00 -0.67 0.00 0.00 178.83 179.08 1dm6 h ALA 129 N 1.13 0.18 -0.71 3.87 0.00 -0.85 -2.24 119.26 120.64 1dm6 h ALA 129 Ca 0.14 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1dm6 h ALA 129 Cb 0.57 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1dm6 h ALA 129 CO 0.03 0.01 0.44 0.00 0.00 0.00 0.00 179.25 179.73 1dm6 h ARG 130 N -0.10 0.84 -0.62 0.00 3.08 -1.09 0.40 114.38 116.89 1dm6 h ARG 130 Ca 0.02 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1dm6 h ARG 130 Cb 0.60 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 1dm6 h ARG 130 CO 0.03 0.56 0.33 0.22 -1.07 0.00 0.00 179.97 180.03 1dm6 h ASP 131 N 0.86 0.79 -0.01 7.04 3.58 -1.41 0.66 116.42 127.93 1dm6 h ASP 131 Ca 0.29 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 1dm6 h ASP 131 Cb 0.02 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 40.87 1dm6 h ASP 131 CO -0.11 0.67 0.00 0.15 -2.88 0.00 0.00 179.24 177.07 1dm6 h PHE 132 N 0.85 0.01 -0.92 0.28 3.57 -0.76 -0.49 116.94 119.48 1dm6 h PHE 132 Ca 0.22 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.81 1dm6 h PHE 132 Cb 0.06 -0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.72 1dm6 h PHE 132 CO -0.01 0.20 0.56 0.82 -2.23 0.00 0.00 178.31 177.66 1dm6 h ILE 133 N -0.18 0.97 -0.46 1.41 1.08 -0.78 0.21 117.51 119.76 1dm6 h ILE 133 Ca 0.00 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.15 1dm6 h ILE 133 Cb 0.20 -0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 33.85 1dm6 h ILE 133 CO -0.00 0.17 0.31 0.78 -0.69 0.00 0.00 178.15 178.72 1dm6 h ASN 134 N 0.95 0.53 -0.44 1.72 2.35 -0.50 -1.58 115.58 118.62 1dm6 h ASN 134 Ca 0.43 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.17 1dm6 h ASN 134 Cb 0.34 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1dm6 h ASN 134 CO -0.23 0.39 0.28 1.56 -1.65 0.00 0.00 177.43 177.78 1dm6 h GLN 135 N 0.63 0.59 0.15 0.81 4.20 0.19 -2.30 115.11 119.39 1dm6 h GLN 135 Ca 0.17 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.84 1dm6 h GLN 135 Cb -0.07 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 1dm6 h GLN 135 CO -0.04 0.42 -0.16 -0.92 -0.67 0.00 0.00 178.83 177.47 1dm6 h TYR 136 N 0.59 -0.41 0.00 2.96 3.20 -0.54 -1.10 116.97 121.67 1dm6 h TYR 136 Ca 0.16 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 1dm6 h TYR 136 Cb -0.03 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1dm6 h TYR 136 CO -0.04 -0.24 -0.22 1.88 -1.64 0.00 0.00 178.16 177.90 1dm6 h TYR 137 N -0.34 0.00 -0.13 -3.82 -1.99 -1.24 -0.81 116.97 108.64 1dm6 h TYR 137 Ca 0.01 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.60 1dm6 h TYR 137 Cb 0.33 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.05 1dm6 h TYR 137 CO -0.14 0.22 -0.49 1.03 -0.00 0.00 0.00 178.16 178.77 1dm6 h SER 138 N 0.00 0.37 -0.39 3.88 0.87 -1.12 0.11 113.55 117.26 1dm6 h SER 138 Ca -0.00 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.35 1dm6 h SER 138 Cb 0.41 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 1dm6 h SER 138 CO 0.03 0.80 0.15 0.77 -0.53 0.00 0.00 176.83 178.06 1dm6 h SER 139 N 0.27 0.60 -0.59 6.23 4.64 0.16 -1.49 113.55 123.36 1dm6 h SER 139 Ca 0.01 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1dm6 h SER 139 Cb 0.97 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1dm6 h SER 139 CO 0.08 0.56 0.00 2.30 -0.87 0.00 0.00 176.83 178.91 1dm6 n ILE 140 N -4.34 2.05 -2.61 0.95 -5.35 -0.96 -4.94 119.36 104.16 1dm6 n ILE 140 Ca 0.03 -1.19 -0.16 0.00 -0.27 0.00 0.00 62.75 61.17 1dm6 n ILE 140 Cb 0.17 -0.05 -0.00 0.00 -1.74 0.00 0.00 39.64 38.02 1dm6 n ILE 140 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1dm6 n LYS 141 N 0.90 -2.53 -0.78 6.28 5.02 -0.56 -4.85 118.16 121.64 1dm6 n LYS 141 Ca 0.25 0.67 0.02 0.00 -2.02 0.00 0.00 58.31 57.23 1dm6 n LYS 141 Cb 0.96 -5.31 0.19 0.00 -0.02 0.00 0.00 35.03 30.84 1dm6 n LYS 141 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1dm6 n ARG 142 N -3.06 1.84 -1.73 1.97 1.74 0.32 -5.01 116.66 112.74 1dm6 n ARG 142 Ca -0.14 -3.40 -0.37 0.00 -0.77 0.00 0.00 57.85 53.16 1dm6 n ARG 142 Cb 0.61 -1.71 0.06 0.00 -1.02 0.00 0.00 32.46 30.41 1dm6 n ARG 142 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1dm6 n SER 143 N -1.07 2.20 0.00 0.55 2.88 -1.19 -1.97 113.62 115.03 1dm6 n SER 143 Ca 0.23 0.86 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 1dm6 n SER 143 Cb 0.74 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 1dm6 n SER 143 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1dm6 n GLY 144 N 0.89 0.52 3.46 0.46 0.00 -1.26 -4.94 105.19 104.31 1dm6 n GLY 144 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1dm6 n GLY 144 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dm6 s SER 145 N -2.38 0.34 0.17 1.61 1.04 -0.83 -4.74 113.70 108.92 1dm6 s SER 145 Ca 0.00 1.05 -0.11 0.00 0.48 0.00 0.00 55.95 57.38 1dm6 s SER 145 Cb 0.00 -1.58 0.06 0.00 0.10 0.00 0.00 66.02 64.60 1dm6 s SER 145 CO 0.00 -4.53 1.65 -0.61 0.98 0.00 0.00 173.24 170.73 1dm6 h GLN 146 N -2.85 0.99 -0.80 4.02 4.15 -1.92 -2.21 115.11 116.49 1dm6 h GLN 146 Ca -0.52 -0.28 -0.03 0.00 0.77 0.00 0.00 58.65 58.60 1dm6 h GLN 146 Cb 1.33 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.88 1dm6 h GLN 146 CO 0.41 0.95 0.39 0.00 -1.93 0.00 0.00 178.83 178.64 1dm6 h ALA 147 N 1.00 1.03 0.02 3.38 0.00 -1.91 -0.59 119.26 122.19 1dm6 h ALA 147 Ca 0.18 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1dm6 h ALA 147 Cb 0.46 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1dm6 h ALA 147 CO 0.02 0.59 -0.01 1.25 0.00 0.00 0.00 179.25 181.10 1dm6 h HIS 148 N 1.13 -0.02 -0.59 0.00 -0.00 -1.73 0.21 115.15 114.15 1dm6 h HIS 148 Ca 0.27 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.62 1dm6 h HIS 148 Cb 0.11 0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.50 1dm6 h HIS 148 CO 0.01 0.02 0.26 1.49 -0.00 0.00 0.00 177.93 179.71 1dm6 h GLU 149 N -0.05 0.86 -0.22 5.26 4.81 -1.19 -2.30 114.58 121.75 1dm6 h GLU 149 Ca -0.00 -0.14 -0.15 0.00 -0.13 0.00 0.00 59.36 58.94 1dm6 h GLU 149 Cb 0.05 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1dm6 h GLU 149 CO 0.00 0.71 -0.47 0.93 -0.73 0.00 0.00 179.01 179.45 1dm6 h GLU 150 N 0.80 0.57 -0.54 1.92 5.08 -0.98 -2.73 114.58 118.69 1dm6 h GLU 150 Ca 0.20 -0.32 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 1dm6 h GLU 150 Cb 0.15 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1dm6 h GLU 150 CO -0.02 0.92 -0.06 -0.09 -1.00 0.00 0.00 179.01 178.76 1dm6 h ARG 151 N 0.45 0.98 -0.58 2.33 9.65 -0.82 -1.27 114.38 125.13 1dm6 h ARG 151 Ca 0.03 -0.33 -0.03 0.00 -1.10 0.00 0.00 59.98 58.55 1dm6 h ARG 151 Cb 1.00 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.47 1dm6 h ARG 151 CO 0.09 1.00 0.24 -0.07 2.80 0.00 0.00 179.97 184.04 1dm6 h LEU 152 N 0.89 0.75 -0.47 3.80 3.38 -1.34 -1.55 115.31 120.77 1dm6 h LEU 152 Ca 0.15 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1dm6 h LEU 152 Cb 0.60 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1dm6 h LEU 152 CO 0.04 0.67 0.01 1.56 0.09 0.00 0.00 178.44 180.80 1dm6 h GLN 153 N 0.82 0.83 -0.18 1.13 4.20 -1.12 -1.05 115.11 119.75 1dm6 h GLN 153 Ca 0.20 -0.26 0.03 0.00 0.06 0.00 0.00 58.65 58.68 1dm6 h GLN 153 Cb 0.14 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1dm6 h GLN 153 CO -0.02 0.88 -0.02 0.93 -0.67 0.00 0.00 178.83 179.93 1dm6 h GLU 154 N 0.68 0.03 -0.65 1.46 5.08 -0.59 0.12 114.58 120.72 1dm6 h GLU 154 Ca 0.13 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1dm6 h GLU 154 Cb 0.50 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1dm6 h GLU 154 CO 0.02 0.02 0.38 0.28 -1.00 0.00 0.00 179.01 178.71 1dm6 h VAL 155 N 0.03 1.20 -0.25 3.13 2.07 -1.16 -1.48 116.25 119.79 1dm6 h VAL 155 Ca 0.09 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.17 1dm6 h VAL 155 Cb 0.12 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 1dm6 h VAL 155 CO -0.16 0.21 0.03 -0.33 0.02 0.00 0.00 177.57 177.34 1dm6 h GLU 156 N 0.89 0.12 -0.41 1.57 4.39 -0.67 -2.29 114.58 118.18 1dm6 h GLU 156 Ca 0.23 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.97 1dm6 h GLU 156 Cb 0.01 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.59 1dm6 h GLU 156 CO -0.04 0.08 0.15 0.00 -1.16 0.00 0.00 179.01 178.04 1dm6 h ALA 157 N 1.19 0.49 -0.39 3.43 0.00 -0.19 -2.11 119.26 121.68 1dm6 h ALA 157 Ca 0.12 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1dm6 h ALA 157 Cb 0.13 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1dm6 h ALA 157 CO -0.17 -0.23 -0.01 0.93 0.00 0.00 0.00 179.25 179.77 1dm6 h GLU 158 N 0.32 0.70 -0.33 0.00 5.08 -1.10 -2.63 114.58 116.63 1dm6 h GLU 158 Ca 0.19 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1dm6 h GLU 158 Cb 0.17 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1dm6 h GLU 158 CO -0.19 0.80 0.10 0.28 -1.00 0.00 0.00 179.01 179.00 1dm6 h VAL 159 N 0.52 1.21 -0.33 3.13 2.07 -0.98 0.49 116.25 122.36 1dm6 h VAL 159 Ca 0.11 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 1dm6 h VAL 159 Cb 0.49 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1dm6 h VAL 159 CO 0.02 0.23 0.09 0.00 0.02 0.00 0.00 177.57 177.93 1dm6 h ALA 160 N 0.94 1.55 0.04 1.67 0.00 -1.40 0.61 119.26 122.67 1dm6 h ALA 160 Ca 0.11 -0.13 -0.34 0.00 0.00 0.00 0.00 54.91 54.55 1dm6 h ALA 160 Cb 0.25 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1dm6 h ALA 160 CO -0.00 0.34 -2.01 0.43 0.00 0.00 0.00 179.25 178.00 1dm6 n SER 161 N -4.37 1.31 -0.03 0.00 7.64 -0.99 -4.61 113.62 112.58 1dm6 n SER 161 Ca 0.02 0.21 0.03 0.00 1.01 0.00 0.00 58.87 60.13 1dm6 n SER 161 Cb 0.17 -0.22 -0.03 0.00 -1.01 0.00 0.00 64.21 63.12 1dm6 n SER 161 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1dm6 n THR 162 N -3.18 0.00 -1.00 0.44 -2.24 0.17 -4.99 114.28 103.48 1dm6 n THR 162 Ca -0.28 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1dm6 n THR 162 Cb 1.06 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 70.30 1dm6 n THR 162 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dm6 n GLY 163 N 1.07 0.66 1.76 3.38 0.00 0.21 -4.96 105.19 107.31 1dm6 n GLY 163 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 1dm6 n GLY 163 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1dm6 n THR 164 N -2.67 0.00 -3.76 2.61 5.66 -1.25 -4.58 114.28 110.29 1dm6 n THR 164 Ca 0.00 -0.40 -0.09 0.00 -3.05 0.00 0.00 64.05 60.51 1dm6 n THR 164 Cb 0.00 0.43 0.02 0.00 -1.55 0.00 0.00 70.33 69.23 1dm6 n THR 164 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1dm6 n TYR 165 N -0.27 -2.12 -4.26 1.09 0.18 -1.26 -2.28 117.16 108.23 1dm6 n TYR 165 Ca -0.03 -1.75 -0.17 0.00 1.88 0.00 0.00 57.90 57.82 1dm6 n TYR 165 Cb 0.27 0.80 -0.13 0.00 -0.38 0.00 0.00 39.34 39.90 1dm6 n TYR 165 CO 0.00 0.00 0.00 -1.01 -2.08 0.00 0.00 176.86 173.77 1dm6 s HIS 166 N -2.86 0.89 0.24 -3.48 3.76 -1.26 -5.04 115.29 107.54 1dm6 s HIS 166 Ca 0.16 -0.30 -0.11 0.00 -0.15 0.00 0.00 55.06 54.66 1dm6 s HIS 166 Cb -0.04 -0.54 -0.08 0.00 1.11 0.00 0.00 32.58 33.04 1dm6 s HIS 166 CO 0.12 -0.01 0.59 -0.51 -0.85 0.00 0.00 174.74 174.08 1dm6 s LEU 167 N -0.87 4.16 0.44 0.89 1.43 -1.26 -5.05 118.68 118.42 1dm6 s LEU 167 Ca -0.01 1.01 -0.14 0.00 -1.03 0.00 0.00 54.13 53.96 1dm6 s LEU 167 Cb -0.06 -3.73 -0.08 0.00 0.03 0.00 0.00 46.19 42.34 1dm6 s LEU 167 CO 0.00 -0.09 0.87 -0.13 0.23 0.00 0.00 176.35 177.24 1dm6 s ARG 168 N -2.78 3.92 0.20 1.70 0.52 -1.26 -4.86 118.95 116.38 1dm6 s ARG 168 Ca 0.48 0.75 -0.13 0.00 -0.52 0.00 0.00 55.73 56.31 1dm6 s ARG 168 Cb -0.11 -2.27 0.22 0.00 0.52 0.00 0.00 34.95 33.30 1dm6 s ARG 168 CO 0.20 -0.11 1.66 1.49 0.02 0.00 0.00 175.30 178.57 1dm6 h GLU 169 N 1.31 0.07 -0.73 3.54 4.81 -1.99 0.33 114.58 121.92 1dm6 h GLU 169 Ca -0.47 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 58.81 1dm6 h GLU 169 Cb 1.18 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.50 1dm6 h GLU 169 CO 0.63 0.04 0.48 0.66 -0.73 0.00 0.00 179.01 180.09 1dm6 h SER 170 N 0.07 0.67 -0.48 1.04 4.64 -2.00 -0.20 113.55 117.30 1dm6 h SER 170 Ca 0.27 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.47 1dm6 h SER 170 Cb 0.43 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1dm6 h SER 170 CO -0.50 0.44 -0.21 -0.33 -0.87 0.00 0.00 176.83 175.36 1dm6 h GLU 171 N 0.77 0.99 -0.78 4.77 5.08 -1.38 -2.20 114.58 121.83 1dm6 h GLU 171 Ca 0.31 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1dm6 h GLU 171 Cb 0.24 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1dm6 h GLU 171 CO -0.10 1.10 0.39 1.25 -1.00 0.00 0.00 179.01 180.65 1dm6 h LEU 172 N 0.85 1.00 -0.05 1.33 5.85 0.27 0.07 115.31 124.63 1dm6 h LEU 172 Ca 0.11 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1dm6 h LEU 172 Cb 0.79 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 1dm6 h LEU 172 CO 0.07 0.83 0.01 0.58 -0.34 0.00 0.00 178.44 179.58 1dm6 h VAL 173 N 1.10 1.22 -0.18 1.05 2.07 -0.90 -1.29 116.25 119.32 1dm6 h VAL 173 Ca 0.27 -0.65 0.03 0.00 0.82 0.00 0.00 66.70 67.16 1dm6 h VAL 173 Cb 0.09 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1dm6 h VAL 173 CO -0.04 0.18 0.02 0.15 0.02 0.00 0.00 177.57 177.90 1dm6 h PHE 174 N -0.17 0.02 -0.80 1.57 3.57 -1.13 -2.57 116.94 117.43 1dm6 h PHE 174 Ca 0.01 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1dm6 h PHE 174 Cb 0.28 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 1dm6 h PHE 174 CO 0.02 -0.00 0.53 0.78 -2.23 0.00 0.00 178.31 177.40 1dm6 h GLY 175 N 0.08 1.13 0.97 2.40 0.00 -0.91 -1.25 103.07 105.49 1dm6 h GLY 175 Ca 0.08 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1dm6 h GLY 175 CO -0.13 0.41 0.01 0.00 0.00 0.00 0.00 176.54 176.84 1dm6 h ALA 176 N 1.30 0.03 -0.97 3.60 0.00 -1.06 -0.24 119.26 121.91 1dm6 h ALA 176 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1dm6 h ALA 176 Cb -0.12 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1dm6 h ALA 176 CO -0.07 -0.46 0.62 0.87 0.00 0.00 0.00 179.25 180.22 1dm6 h LYS 177 N 0.01 1.29 -0.39 0.00 1.57 -1.25 -2.20 116.57 115.59 1dm6 h LYS 177 Ca 0.01 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.60 1dm6 h LYS 177 Cb 0.02 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.03 1dm6 h LYS 177 CO -0.00 0.87 -0.14 1.96 -0.57 0.00 0.00 179.45 181.56 1dm6 h GLN 178 N 1.32 0.71 -0.74 3.15 1.08 -0.88 -0.15 115.11 119.60 1dm6 h GLN 178 Ca 0.35 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 1dm6 h GLN 178 Cb -0.12 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.22 1dm6 h GLN 178 CO -0.07 0.82 0.41 0.00 -0.95 0.00 0.00 178.83 179.04 1dm6 h ALA 179 N 1.20 0.95 -0.27 3.87 0.00 -0.46 0.15 119.26 124.69 1dm6 h ALA 179 Ca 0.11 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1dm6 h ALA 179 Cb 0.61 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1dm6 h ALA 179 CO 0.04 0.45 -0.10 2.35 0.00 0.00 0.00 179.25 181.99 1dm6 h TRP 180 N 1.02 0.62 -0.85 0.00 7.01 -1.14 -2.43 115.95 120.17 1dm6 h TRP 180 Ca 0.26 -0.15 0.08 0.00 2.11 0.00 0.00 58.89 61.20 1dm6 h TRP 180 Cb 0.03 -0.15 -0.06 0.00 -2.10 0.00 0.00 29.16 26.88 1dm6 h TRP 180 CO -0.00 0.78 0.55 -0.09 -2.79 0.00 0.00 178.44 176.89 1dm6 h ARG 181 N 0.28 0.86 0.00 2.65 2.43 -0.60 -2.10 114.38 117.90 1dm6 h ARG 181 Ca 0.06 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1dm6 h ARG 181 Cb 0.60 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1dm6 h ARG 181 CO 0.03 0.57 -0.15 0.09 -1.51 0.00 0.00 179.97 179.00 1dm6 n ASN 182 N -4.50 0.22 -4.58 -3.80 3.02 0.47 -4.84 115.26 101.26 1dm6 n ASN 182 Ca 0.14 0.30 -0.40 0.00 -0.03 0.00 0.00 54.58 54.59 1dm6 n ASN 182 Cb 0.26 -0.31 -0.03 0.00 -0.61 0.00 0.00 39.78 39.09 1dm6 n ASN 182 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dm6 s ALA 183 N -3.02 2.27 0.51 5.41 0.00 -0.79 -4.73 121.76 121.42 1dm6 s ALA 183 Ca 0.13 0.24 0.19 0.00 0.00 0.00 0.00 51.96 52.51 1dm6 s ALA 183 Cb 0.18 -4.20 1.28 0.00 0.00 0.00 0.00 23.12 20.38 1dm6 s ALA 183 CO 0.59 -3.53 2.08 -1.35 0.00 0.00 0.00 175.76 173.54 1dm6 h PRO 184 N 16.41 0.05 -0.05 0.00 0.11 -1.89 -2.76 132.00 143.88 1dm6 h PRO 184 Ca -0.32 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1dm6 h PRO 184 Cb 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1dm6 h PRO 184 CO 1.08 0.04 0.00 0.54 -0.21 0.00 0.00 178.00 179.44 1dm6 n ARG 185 N -4.47 1.91 -3.18 1.05 1.74 -1.26 -0.61 116.66 111.83 1dm6 n ARG 185 Ca 0.03 -1.32 -0.41 0.00 -0.77 0.00 0.00 57.85 55.38 1dm6 n ARG 185 Cb 0.30 -1.47 -0.07 0.00 -1.02 0.00 0.00 32.46 30.20 1dm6 n ARG 185 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1dm6 n VAL 187 N 5.40 0.13 -0.87 0.00 3.14 -1.26 -3.85 118.33 121.02 1dm6 n VAL 187 Ca -0.03 -0.07 -0.01 0.00 -2.96 0.00 0.00 64.34 61.27 1dm6 n VAL 187 Cb 0.49 -0.31 0.33 0.00 -1.06 0.00 0.00 33.84 33.29 1dm6 n VAL 187 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1dm6 n GLY 188 N 1.45 3.28 0.00 7.55 0.00 -1.26 -4.45 105.19 111.76 1dm6 n GLY 188 Ca 0.06 -0.91 0.04 0.00 0.00 0.00 0.00 46.02 45.21 1dm6 n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dm6 n ARG 189 N 0.17 0.06 0.29 1.61 1.74 -1.25 -2.51 116.66 116.78 1dm6 n ARG 189 Ca 0.34 0.29 0.17 0.00 -0.77 0.00 0.00 57.85 57.88 1dm6 n ARG 189 Cb 1.27 -1.50 0.89 0.00 -1.02 0.00 0.00 32.46 32.10 1dm6 n ARG 189 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1dm6 h ILE 190 N 0.00 0.26 -0.02 0.55 2.10 -1.86 -0.29 117.51 118.24 1dm6 h ILE 190 Ca 0.00 -0.32 0.00 0.00 1.08 0.00 0.00 64.86 65.62 1dm6 h ILE 190 Cb 0.11 1.25 0.00 0.00 -1.09 0.00 0.00 36.82 37.09 1dm6 h ILE 190 CO 0.00 0.05 0.00 0.00 -1.08 0.00 0.00 178.15 177.12 1dm6 n GLN 191 N -3.35 1.61 -0.31 2.19 1.13 -1.04 -4.54 117.38 113.07 1dm6 n GLN 191 Ca -0.02 -0.89 0.35 0.00 -1.94 0.00 0.00 57.00 54.51 1dm6 n GLN 191 Cb 0.19 -1.47 0.73 0.00 0.11 0.00 0.00 30.24 29.79 1dm6 n GLN 191 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 1dm6 h TRP 192 N 2.14 0.00 0.00 1.08 5.08 -1.23 0.17 115.95 123.18 1dm6 h TRP 192 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1dm6 h TRP 192 Cb 0.45 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.61 1dm6 h TRP 192 CO 0.01 0.00 -0.06 0.41 -1.28 0.00 0.00 178.44 177.51 1dm6 n GLY 193 N -1.75 -1.47 3.11 11.11 0.00 -1.26 -4.48 105.19 110.45 1dm6 n GLY 193 Ca 0.26 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1dm6 n GLY 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dm6 s LYS 194 N -3.00 2.62 -0.09 1.61 1.02 0.60 -5.02 119.74 117.47 1dm6 s LYS 194 Ca 0.14 -2.50 -0.04 0.00 0.02 0.00 0.00 55.97 53.59 1dm6 s LYS 194 Cb 0.19 -3.78 0.05 0.00 -0.52 0.00 0.00 37.83 33.77 1dm6 s LYS 194 CO 0.55 -1.18 0.19 -1.17 -0.92 0.00 0.00 175.35 172.82 1dm6 s LEU 195 N -0.01 -0.09 -0.20 3.17 2.96 -1.26 -4.58 118.68 118.66 1dm6 s LEU 195 Ca 0.17 0.40 -0.29 0.00 -0.22 0.00 0.00 54.13 54.18 1dm6 s LEU 195 Cb -0.20 0.39 0.00 0.00 0.50 0.00 0.00 46.19 46.88 1dm6 s LEU 195 CO -0.04 -0.24 1.07 -1.58 -1.32 0.00 0.00 176.35 174.24 1dm6 s GLN 196 N 2.27 4.28 -0.30 1.98 2.00 -0.11 -4.95 119.66 124.83 1dm6 s GLN 196 Ca 0.02 1.41 -0.08 0.00 -2.00 0.00 0.00 55.36 54.72 1dm6 s GLN 196 Cb -0.12 -3.64 0.00 0.00 0.80 0.00 0.00 33.01 30.05 1dm6 s GLN 196 CO -0.06 -0.60 0.10 0.08 -0.50 0.00 0.00 175.29 174.31 1dm6 s VAL 197 N 3.08 4.19 -0.26 1.34 1.01 -1.26 -1.12 120.40 127.39 1dm6 s VAL 197 Ca 0.46 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 1dm6 s VAL 197 Cb -0.17 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 1dm6 s VAL 197 CO 0.09 0.10 0.20 -0.36 0.00 0.00 0.00 175.10 175.12 1dm6 s PHE 198 N 1.54 3.27 -0.51 5.22 0.08 0.25 -5.00 117.98 122.83 1dm6 s PHE 198 Ca 0.04 0.21 -0.23 0.00 0.12 0.00 0.00 56.93 57.07 1dm6 s PHE 198 Cb -0.17 -2.35 0.04 0.00 -0.57 0.00 0.00 43.02 39.97 1dm6 s PHE 198 CO 0.04 -0.05 0.83 0.34 -0.10 0.00 0.00 175.22 176.28 1dm6 s ASP 199 N 1.38 6.33 -0.22 1.36 3.68 -1.26 -1.04 116.67 126.90 1dm6 s ASP 199 Ca 0.08 -0.41 0.13 0.00 2.13 0.00 0.00 52.55 54.48 1dm6 s ASP 199 Cb -0.15 -2.39 0.48 0.00 -1.45 0.00 0.00 42.92 39.41 1dm6 s ASP 199 CO 0.08 -1.07 1.38 0.00 0.13 0.00 0.00 175.17 175.69 1dm6 n ALA 200 N 6.97 3.50 0.36 3.66 0.00 0.73 -4.69 120.51 131.04 1dm6 n ALA 200 Ca 0.00 -2.79 0.06 0.00 0.00 0.00 0.00 53.44 50.71 1dm6 n ALA 200 Cb 0.47 -0.65 0.28 0.00 0.00 0.00 0.00 19.45 19.55 1dm6 n ALA 200 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1dm6 n ARG 201 N -0.96 0.03 -2.17 0.00 1.74 -0.95 -2.80 116.66 111.55 1dm6 n ARG 201 Ca 0.25 0.35 -0.36 0.00 -0.77 0.00 0.00 57.85 57.32 1dm6 n ARG 201 Cb 0.90 -1.57 0.02 0.00 -1.02 0.00 0.00 32.46 30.79 1dm6 n ARG 201 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1dm6 n ASP 202 N -1.64 6.64 -4.39 0.55 5.75 -1.26 -4.41 116.55 117.79 1dm6 n ASP 202 Ca 0.02 -3.79 -0.33 0.00 -0.01 0.00 0.00 54.79 50.69 1dm6 n ASP 202 Cb 0.13 -0.89 -0.14 0.00 -1.03 0.00 0.00 41.12 39.19 1dm6 n ASP 202 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1dm6 n SER 204 N 3.12 1.35 -3.43 0.00 3.41 -1.26 -4.77 113.62 112.03 1dm6 n SER 204 Ca -0.18 -2.08 -0.12 0.00 -0.26 0.00 0.00 58.87 56.24 1dm6 n SER 204 Cb 0.53 -0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.31 1dm6 n SER 204 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1dm6 s SER 205 N -1.29 -0.55 0.22 4.04 1.04 -1.26 -4.99 113.70 110.91 1dm6 s SER 205 Ca 0.09 0.03 -0.07 0.00 0.48 0.00 0.00 55.95 56.47 1dm6 s SER 205 Cb 0.07 0.57 0.19 0.00 0.10 0.00 0.00 66.02 66.95 1dm6 s SER 205 CO 0.01 -0.92 1.82 0.00 0.98 0.00 0.00 173.24 175.13 1dm6 h ALA 206 N 2.04 1.10 -0.96 5.32 0.00 -1.91 -1.60 119.26 123.26 1dm6 h ALA 206 Ca -0.32 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.47 1dm6 h ALA 206 Cb 1.30 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 1dm6 h ALA 206 CO 0.37 0.67 0.63 0.37 0.00 0.00 0.00 179.25 181.29 1dm6 h GLN 207 N 1.22 1.13 -0.11 0.00 4.15 -1.96 -0.56 115.11 118.98 1dm6 h GLN 207 Ca 0.29 -0.07 -0.13 0.00 0.77 0.00 0.00 58.65 59.52 1dm6 h GLN 207 Cb 0.12 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 1dm6 h GLN 207 CO -0.04 0.75 -0.50 0.93 -1.93 0.00 0.00 178.83 178.04 1dm6 h GLU 208 N 1.16 0.29 -0.61 1.69 5.08 -1.79 -2.61 114.58 117.79 1dm6 h GLU 208 Ca 0.40 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1dm6 h GLU 208 Cb 0.09 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1dm6 h GLU 208 CO -0.14 0.73 0.20 0.52 -1.00 0.00 0.00 179.01 179.32 1dm6 h MET 209 N 0.23 0.94 -0.49 2.33 2.86 -0.26 -2.11 114.93 118.43 1dm6 h MET 209 Ca 0.01 -0.20 0.03 0.00 -2.06 0.00 0.00 59.70 57.49 1dm6 h MET 209 Cb 0.96 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.44 1dm6 h MET 209 CO 0.08 0.83 0.27 0.35 1.06 0.00 0.00 176.91 179.50 1dm6 h PHE 210 N 0.86 0.50 -0.75 -0.22 -0.00 -0.86 0.21 116.94 116.68 1dm6 h PHE 210 Ca 0.20 0.02 -0.02 0.00 -0.00 0.00 0.00 57.97 58.17 1dm6 h PHE 210 Cb 0.27 -0.15 -0.04 0.00 -0.00 0.00 0.00 35.95 36.03 1dm6 h PHE 210 CO 0.02 0.27 0.41 1.15 -0.00 0.00 0.00 178.31 180.15 1dm6 h THR 211 N 0.53 1.23 -0.08 4.41 2.02 -1.26 0.33 112.91 120.10 1dm6 h THR 211 Ca 0.21 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1dm6 h THR 211 Cb 0.07 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 66.72 1dm6 h THR 211 CO -0.12 0.25 0.01 1.88 0.37 0.00 0.00 175.52 177.91 1dm6 h TYR 212 N 1.04 0.14 -0.90 3.16 -1.99 -0.78 -2.36 116.97 115.27 1dm6 h TYR 212 Ca 0.26 -0.02 0.08 0.00 2.00 0.00 0.00 58.73 61.05 1dm6 h TYR 212 Cb 0.04 -0.04 -0.06 0.00 2.00 0.00 0.00 36.73 38.67 1dm6 h TYR 212 CO 0.00 0.35 0.59 0.82 -0.00 0.00 0.00 178.16 179.92 1dm6 h ILE 213 N -0.12 1.03 -0.56 -2.88 2.04 -0.34 -0.35 117.51 116.34 1dm6 h ILE 213 Ca 0.02 -0.34 -0.09 0.00 1.00 0.00 0.00 64.86 65.45 1dm6 h ILE 213 Cb 0.29 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 1dm6 h ILE 213 CO 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 178.15 178.31 1dm6 h ASN 215 N 0.89 0.57 -0.10 0.00 2.35 -0.81 -1.14 115.58 117.35 1dm6 h ASN 215 Ca 0.16 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1dm6 h ASN 215 Cb 0.57 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 1dm6 h ASN 215 CO 0.03 0.81 0.06 -0.74 -1.65 0.00 0.00 177.43 175.94 1dm6 h HIS 216 N 0.49 0.12 -0.62 1.19 2.76 -0.81 -1.23 115.15 117.06 1dm6 h HIS 216 Ca 0.07 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1dm6 h HIS 216 Cb 0.70 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.59 1dm6 h HIS 216 CO 0.03 0.11 0.38 0.82 -1.30 0.00 0.00 177.93 177.96 1dm6 h ILE 217 N 0.11 1.18 -0.23 6.26 2.04 -1.02 0.18 117.51 126.02 1dm6 h ILE 217 Ca 0.03 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1dm6 h ILE 217 Cb 0.02 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1dm6 h ILE 217 CO -0.01 0.18 0.11 0.11 0.00 0.00 0.00 178.15 178.54 1dm6 h LYS 218 N 0.84 0.34 0.32 2.37 1.57 -1.04 -1.50 116.57 119.45 1dm6 h LYS 218 Ca 0.22 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1dm6 h LYS 218 Cb -0.03 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1dm6 h LYS 218 CO -0.04 0.36 -0.15 -0.92 -0.57 0.00 0.00 179.45 178.12 1dm6 h TYR 219 N 0.23 -0.39 -0.51 -1.35 5.03 -1.02 -2.33 116.97 116.63 1dm6 h TYR 219 Ca 0.08 -0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.41 1dm6 h TYR 219 Cb 0.14 0.13 -0.04 0.00 1.55 0.00 0.00 36.73 38.51 1dm6 h TYR 219 CO -0.02 -0.13 0.30 0.00 -1.32 0.00 0.00 178.16 176.99 1dm6 h ALA 220 N 0.01 0.65 -0.08 1.82 0.00 -0.66 -3.01 119.26 117.98 1dm6 h ALA 220 Ca -0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1dm6 h ALA 220 Cb 0.44 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1dm6 h ALA 220 CO 0.07 -0.01 0.04 1.15 0.00 0.00 0.00 179.25 180.50 1dm6 h THR 221 N 0.59 1.11 -6.47 0.00 2.02 -1.31 -0.03 112.91 108.81 1dm6 h THR 221 Ca 0.21 -0.33 -0.50 0.00 0.77 0.00 0.00 66.41 66.55 1dm6 h THR 221 Cb 0.04 1.19 -0.08 0.00 -1.74 0.00 0.00 68.15 67.56 1dm6 h THR 221 CO -0.10 0.10 -0.83 -3.20 0.37 0.00 0.00 175.52 171.85 1dm6 n ASN 222 N -4.96 -2.40 -3.32 4.18 4.05 -0.88 -1.20 115.26 110.73 1dm6 n ASN 222 Ca -0.06 -0.93 -0.24 0.00 0.45 0.00 0.00 54.58 53.80 1dm6 n ASN 222 Cb 0.09 -3.29 0.02 0.00 1.23 0.00 0.00 39.78 37.83 1dm6 n ASN 222 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1dm6 n ARG 223 N -4.45 -4.55 0.00 1.20 1.74 -1.26 -1.82 116.66 107.51 1dm6 n ARG 223 Ca -0.11 0.68 0.00 0.00 -0.77 0.00 0.00 57.85 57.65 1dm6 n ARG 223 Cb 0.59 -5.50 0.00 0.00 -1.02 0.00 0.00 32.46 26.53 1dm6 n ARG 223 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dm6 n GLY 224 N -1.43 2.53 2.97 -0.13 0.00 -0.34 -4.96 105.19 103.83 1dm6 n GLY 224 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1dm6 n GLY 224 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1dm6 n ASN 225 N 0.00 6.42 -4.52 1.61 4.05 -0.76 -1.30 115.26 120.75 1dm6 n ASN 225 Ca 0.00 -3.41 -0.46 0.00 0.45 0.00 0.00 54.58 51.16 1dm6 n ASN 225 Cb 0.00 -1.28 -0.02 0.00 1.23 0.00 0.00 39.78 39.71 1dm6 n ASN 225 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1dm6 n LEU 226 N 1.39 0.73 -4.01 1.20 4.32 -1.19 -4.55 117.00 114.89 1dm6 n LEU 226 Ca 0.28 1.15 -0.23 0.00 -0.02 0.00 0.00 56.01 57.20 1dm6 n LEU 226 Cb 0.33 -1.17 -0.16 0.00 -1.62 0.00 0.00 43.42 40.80 1dm6 n LEU 226 CO 0.72 -1.98 -0.45 -0.13 -1.22 0.00 0.00 177.39 174.33 1dm6 s ARG 227 N -1.38 1.33 0.23 3.23 0.52 -0.03 -5.01 118.95 117.85 1dm6 s ARG 227 Ca 0.60 -0.36 -0.30 0.00 -0.52 0.00 0.00 55.73 55.16 1dm6 s ARG 227 Cb -0.77 -1.17 -0.10 0.00 0.52 0.00 0.00 34.95 33.44 1dm6 s ARG 227 CO 0.59 0.07 1.40 -1.12 0.02 0.00 0.00 175.30 176.26 1dm6 s SER 228 N 0.44 6.72 0.14 0.23 0.01 -1.26 -4.46 113.70 115.52 1dm6 s SER 228 Ca -0.09 2.59 -0.18 0.00 1.31 0.00 0.00 55.95 59.59 1dm6 s SER 228 Cb -0.12 -2.62 0.04 0.00 0.21 0.00 0.00 66.02 63.53 1dm6 s SER 228 CO 0.02 -0.65 0.46 0.00 0.41 0.00 0.00 173.24 173.47 1dm6 s ALA 229 N 0.03 -1.09 -0.06 1.44 0.00 0.01 -0.93 121.76 121.17 1dm6 s ALA 229 Ca 0.59 0.07 -0.08 0.00 0.00 0.00 0.00 51.96 52.53 1dm6 s ALA 229 Cb -0.40 0.75 0.02 0.00 0.00 0.00 0.00 23.12 23.49 1dm6 s ALA 229 CO 0.42 -0.69 0.21 -1.50 0.00 0.00 0.00 175.76 174.21 1dm6 s ILE 230 N -3.80 0.03 -0.09 0.00 2.07 -0.27 -0.26 121.20 118.87 1dm6 s ILE 230 Ca 0.03 -0.22 0.04 0.00 -1.41 0.00 0.00 60.65 59.09 1dm6 s ILE 230 Cb 0.01 -0.38 0.00 0.00 0.13 0.00 0.00 42.46 42.22 1dm6 s ILE 230 CO -0.12 -0.12 -0.23 -0.89 -1.91 0.00 0.00 174.94 171.68 1dm6 s THR 231 N -0.40 1.95 -0.26 4.00 2.01 -0.53 -0.59 115.64 121.82 1dm6 s THR 231 Ca -0.05 -0.96 -0.04 0.00 0.31 0.00 0.00 61.69 60.96 1dm6 s THR 231 Cb -0.03 -1.69 0.01 0.00 0.01 0.00 0.00 72.50 70.80 1dm6 s THR 231 CO 0.01 0.54 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.77 1dm6 s VAL 232 N 0.35 3.32 0.65 3.82 1.01 -0.20 -2.90 120.40 126.44 1dm6 s VAL 232 Ca -0.18 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 1dm6 s VAL 232 Cb -0.17 -2.65 0.07 0.00 0.00 0.00 0.00 36.38 33.63 1dm6 s VAL 232 CO 0.08 0.22 0.92 -0.36 0.00 0.00 0.00 175.10 175.96 1dm6 s PHE 233 N 1.41 2.45 0.22 5.22 0.08 -0.56 -0.20 117.98 126.61 1dm6 s PHE 233 Ca 0.02 0.03 -0.30 0.00 0.12 0.00 0.00 56.93 56.80 1dm6 s PHE 233 Cb -0.16 -2.99 -0.15 0.00 -0.57 0.00 0.00 43.02 39.15 1dm6 s PHE 233 CO -0.02 -1.32 1.04 -2.30 -0.10 0.00 0.00 175.22 172.52 1dm6 n PRO 234 N -2.68 1.12 -1.04 0.24 -0.02 -1.25 -4.65 135.00 126.71 1dm6 n PRO 234 Ca 0.10 0.40 -0.30 0.00 -2.02 0.00 0.00 63.50 61.68 1dm6 n PRO 234 Cb 0.60 -1.79 0.15 0.00 -0.02 0.00 0.00 33.50 32.43 1dm6 n PRO 234 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1dm6 s GLN 235 N -0.93 1.16 0.47 -0.52 -2.07 -1.26 -4.51 119.66 112.00 1dm6 s GLN 235 Ca 0.66 1.04 -0.22 0.00 -1.82 0.00 0.00 55.36 55.02 1dm6 s GLN 235 Cb -0.80 -1.78 -0.07 0.00 -1.09 0.00 0.00 33.01 29.27 1dm6 s GLN 235 CO 0.56 -2.37 1.15 1.03 -1.32 0.00 0.00 175.29 174.34 1dm6 s ARG 236 N -4.82 3.71 -0.02 9.60 0.52 0.17 -4.91 118.95 123.20 1dm6 s ARG 236 Ca 0.64 1.73 0.03 0.00 -0.52 0.00 0.00 55.73 57.61 1dm6 s ARG 236 Cb -0.20 -2.34 -0.00 0.00 0.52 0.00 0.00 34.95 32.93 1dm6 s ARG 236 CO 0.58 -0.58 -0.11 0.00 0.02 0.00 0.00 175.30 175.21 1dm6 s ALA 237 N -1.59 0.94 0.18 2.13 0.00 -1.26 -4.78 121.76 117.38 1dm6 s ALA 237 Ca 0.65 -0.44 -0.33 0.00 0.00 0.00 0.00 51.96 51.84 1dm6 s ALA 237 Cb -0.27 -0.29 -0.15 0.00 0.00 0.00 0.00 23.12 22.41 1dm6 s ALA 237 CO 0.33 0.20 1.36 -2.30 0.00 0.00 0.00 175.76 175.34 1dm6 n PRO 238 N 3.01 1.66 -0.85 0.00 -0.02 -1.23 -1.92 135.00 135.66 1dm6 n PRO 238 Ca -0.16 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1dm6 n PRO 238 Cb 0.55 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1dm6 n PRO 238 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dm6 n GLY 239 N 2.42 0.34 3.28 -1.23 0.00 0.12 -4.87 105.19 105.25 1dm6 n GLY 239 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 1dm6 n GLY 239 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1dm6 s ARG 240 N -0.81 1.67 0.94 1.61 3.52 -0.81 -4.97 118.95 120.10 1dm6 s ARG 240 Ca 0.00 -0.95 -0.10 0.00 -0.13 0.00 0.00 55.73 54.55 1dm6 s ARG 240 Cb 0.00 -1.74 0.16 0.00 -1.56 0.00 0.00 34.95 31.81 1dm6 s ARG 240 CO 0.00 0.46 1.11 0.41 -0.81 0.00 0.00 175.30 176.47 1dm6 n GLY 241 N 2.05 -0.59 3.91 8.12 0.00 -1.26 -4.51 105.19 112.91 1dm6 n GLY 241 Ca -0.17 -0.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.82 1dm6 n GLY 241 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dm6 s ASP 242 N -2.59 6.41 0.15 1.61 -0.00 -1.26 -4.57 116.67 116.42 1dm6 s ASP 242 Ca 0.67 0.72 -0.26 0.00 -0.00 0.00 0.00 52.55 53.67 1dm6 s ASP 242 Cb -0.23 -2.15 -0.08 0.00 -0.00 0.00 0.00 42.92 40.47 1dm6 s ASP 242 CO 0.59 -0.27 0.81 -0.36 -0.00 0.00 0.00 175.17 175.95 1dm6 s PHE 243 N -2.21 3.88 -0.09 4.23 0.40 -1.26 -3.92 117.98 119.01 1dm6 s PHE 243 Ca 0.44 1.66 -0.15 0.00 -0.60 0.00 0.00 56.93 58.29 1dm6 s PHE 243 Cb -0.10 -2.83 0.03 0.00 0.51 0.00 0.00 43.02 40.63 1dm6 s PHE 243 CO 0.33 0.44 0.37 1.03 0.70 0.00 0.00 175.22 178.09 1dm6 s ARG 244 N -0.88 0.56 -0.29 0.44 1.81 -0.64 -3.75 118.95 116.22 1dm6 s ARG 244 Ca 0.38 0.24 -0.09 0.00 -1.72 0.00 0.00 55.73 54.54 1dm6 s ARG 244 Cb -0.23 0.26 -0.02 0.00 -0.45 0.00 0.00 34.95 34.51 1dm6 s ARG 244 CO 0.27 -0.12 0.13 0.42 -0.68 0.00 0.00 175.30 175.32 1dm6 s ILE 245 N -0.45 4.57 0.32 1.52 1.01 -1.26 -1.02 121.20 125.89 1dm6 s ILE 245 Ca -0.06 -0.28 0.10 0.00 0.00 0.00 0.00 60.65 60.42 1dm6 s ILE 245 Cb -0.04 -3.25 0.04 0.00 0.01 0.00 0.00 42.46 39.23 1dm6 s ILE 245 CO 0.02 0.18 1.73 -0.50 0.00 0.00 0.00 174.94 176.38 1dm6 h TRP 246 N 8.31 0.09 -4.05 3.97 4.06 -1.54 -3.42 115.95 123.36 1dm6 h TRP 246 Ca -0.35 -0.03 -0.49 0.00 2.06 0.00 0.00 58.89 60.08 1dm6 h TRP 246 Cb 1.16 -0.02 0.06 0.00 -1.00 0.00 0.00 29.16 29.36 1dm6 h TRP 246 CO 0.66 0.51 0.43 -0.80 -3.56 0.00 0.00 178.44 175.69 1dm6 s ASN 247 N -6.90 6.03 0.41 -3.49 -0.87 -1.26 -4.93 114.94 103.93 1dm6 s ASN 247 Ca -0.03 2.15 0.22 0.00 -1.57 0.00 0.00 52.86 53.63 1dm6 s ASN 247 Cb 0.14 -2.58 0.29 0.00 -0.02 0.00 0.00 41.25 39.08 1dm6 s ASN 247 CO 0.75 -1.01 1.56 0.77 -2.57 0.00 0.00 177.10 176.61 1dm6 h SER 248 N 1.56 0.00 -5.00 -1.22 4.64 -1.91 -3.36 113.55 108.27 1dm6 h SER 248 Ca -0.50 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.68 1dm6 h SER 248 Cb 1.25 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.14 1dm6 h SER 248 CO 0.58 0.06 -0.51 -1.10 -0.87 0.00 0.00 176.83 175.00 1dm6 s GLN 249 N -3.19 0.50 0.51 4.77 -0.21 -1.26 -1.44 119.66 119.33 1dm6 s GLN 249 Ca 0.06 -0.48 0.25 0.00 0.02 0.00 0.00 55.36 55.21 1dm6 s GLN 249 Cb 0.05 0.20 1.36 0.00 1.00 0.00 0.00 33.01 35.62 1dm6 s GLN 249 CO 0.68 -0.12 2.05 -0.07 -2.12 0.00 0.00 175.29 175.72 1dm6 h LEU 250 N 4.17 0.00 -7.84 2.90 3.38 -1.46 -3.39 115.31 113.08 1dm6 h LEU 250 Ca -0.31 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.08 1dm6 h LEU 250 Cb 1.19 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.58 1dm6 h LEU 250 CO 0.42 0.13 -0.82 -0.69 0.09 0.00 0.00 178.44 177.57 1dm6 s VAL 251 N -4.28 1.42 -0.03 1.22 1.01 -1.26 -4.93 120.40 113.54 1dm6 s VAL 251 Ca -0.03 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 1dm6 s VAL 251 Cb 0.14 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 35.17 1dm6 s VAL 251 CO 0.61 0.43 0.15 -0.13 0.00 0.00 0.00 175.10 176.16 1dm6 s ARG 252 N 1.55 0.34 -0.02 2.72 1.81 -1.26 -4.94 118.95 119.15 1dm6 s ARG 252 Ca 0.05 -0.08 -0.15 0.00 -1.72 0.00 0.00 55.73 53.83 1dm6 s ARG 252 Cb -0.13 0.15 -0.05 0.00 -0.45 0.00 0.00 34.95 34.47 1dm6 s ARG 252 CO -0.10 -0.07 0.40 0.71 -0.68 0.00 0.00 175.30 175.56 1dm6 s TYR 253 N -0.64 3.69 0.71 -0.53 2.02 -1.26 -0.38 117.35 120.96 1dm6 s TYR 253 Ca -0.07 0.95 -0.16 0.00 -0.37 0.00 0.00 57.07 57.41 1dm6 s TYR 253 Cb -0.04 -2.30 0.03 0.00 -0.40 0.00 0.00 41.96 39.24 1dm6 s TYR 253 CO 0.01 0.58 1.26 0.00 -1.57 0.00 0.00 175.55 175.83 1dm6 s ALA 254 N -0.83 2.15 -0.27 3.71 0.00 -0.10 -4.27 121.76 122.15 1dm6 s ALA 254 Ca 0.23 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.25 1dm6 s ALA 254 Cb -0.16 -3.53 0.08 0.00 0.00 0.00 0.00 23.12 19.51 1dm6 s ALA 254 CO 0.12 -1.89 0.03 0.20 0.00 0.00 0.00 175.76 174.22 1dm6 s GLY 255 N -1.71 1.20 -0.27 0.00 0.00 -1.25 -1.40 107.32 103.89 1dm6 s GLY 255 Ca 0.79 -1.52 -0.11 0.00 0.00 0.00 0.00 44.72 43.88 1dm6 s GLY 255 CO 0.44 1.27 0.18 -0.19 0.00 0.00 0.00 173.10 174.80 1dm6 s TYR 256 N 1.49 3.25 -0.06 1.90 4.12 -0.56 -4.02 117.35 123.47 1dm6 s TYR 256 Ca 0.03 0.16 -0.27 0.00 0.02 0.00 0.00 57.07 57.01 1dm6 s TYR 256 Cb -0.18 -2.35 -0.03 0.00 -1.52 0.00 0.00 41.96 37.88 1dm6 s TYR 256 CO -0.14 -0.09 0.86 1.03 0.02 0.00 0.00 175.55 177.23 1dm6 s ARG 257 N 1.54 4.46 0.38 -0.62 0.52 -1.26 -1.34 118.95 122.63 1dm6 s ARG 257 Ca 0.07 1.16 0.02 0.00 -0.52 0.00 0.00 55.73 56.47 1dm6 s ARG 257 Cb -0.15 -3.48 -0.01 0.00 0.52 0.00 0.00 34.95 31.83 1dm6 s ARG 257 CO 0.09 -0.08 0.08 1.04 0.02 0.00 0.00 175.30 176.44 1dm6 n GLN 258 N 4.20 0.75 0.00 3.54 6.02 -1.16 -5.00 117.38 125.72 1dm6 n GLN 258 Ca 0.04 -3.04 0.00 0.00 -0.01 0.00 0.00 57.00 53.99 1dm6 n GLN 258 Cb 0.50 1.34 0.00 0.00 1.02 0.00 0.00 30.24 33.10 1dm6 n GLN 258 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1dm6 n GLN 259 N -0.89 0.00 -0.79 -1.09 1.13 -1.26 -1.35 117.38 113.12 1dm6 n GLN 259 Ca -0.10 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.88 1dm6 n GLN 259 Cb 0.53 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.77 1dm6 n GLN 259 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1dm6 n ASP 260 N 0.00 4.84 -0.54 1.08 5.75 -1.26 -4.70 116.55 121.72 1dm6 n ASP 260 Ca 0.00 -2.37 -0.07 0.00 -0.01 0.00 0.00 54.79 52.34 1dm6 n ASP 260 Cb 0.00 -1.23 -0.03 0.00 -1.03 0.00 0.00 41.12 38.83 1dm6 n ASP 260 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dm6 n GLY 261 N 2.26 0.79 0.00 6.12 0.00 -0.46 -5.00 105.19 108.91 1dm6 n GLY 261 Ca 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1dm6 n GLY 261 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1dm6 n SER 262 N -0.61 -0.07 -3.68 1.61 2.88 -1.22 -4.85 113.62 107.68 1dm6 n SER 262 Ca -0.07 -0.90 -0.10 0.00 -1.33 0.00 0.00 58.87 56.47 1dm6 n SER 262 Cb 0.43 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.79 1dm6 n SER 262 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1dm6 s VAL 263 N -0.93 -0.21 -0.27 2.46 1.01 -1.26 -3.01 120.40 118.18 1dm6 s VAL 263 Ca 0.00 0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.98 1dm6 s VAL 263 Cb 0.00 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 1dm6 s VAL 263 CO 0.00 0.05 0.17 -0.60 0.00 0.00 0.00 175.10 174.72 1dm6 s ARG 264 N 1.78 3.95 0.00 2.72 3.52 -0.45 -4.91 118.95 125.56 1dm6 s ARG 264 Ca -0.07 -0.32 0.00 0.00 -0.13 0.00 0.00 55.73 55.20 1dm6 s ARG 264 Cb -0.09 -3.61 0.00 0.00 -1.56 0.00 0.00 34.95 29.69 1dm6 s ARG 264 CO -0.13 -0.14 0.00 0.41 -0.81 0.00 0.00 175.30 174.63 1dm6 n GLY 265 N 4.91 0.43 3.47 8.12 0.00 -1.26 -1.49 105.19 119.37 1dm6 n GLY 265 Ca -0.14 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 1dm6 n GLY 265 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dm6 s ASP 266 N -4.00 6.22 0.56 1.61 3.68 -0.50 -4.74 116.67 119.50 1dm6 s ASP 266 Ca 0.00 -0.76 0.27 0.00 2.13 0.00 0.00 52.55 54.19 1dm6 s ASP 266 Cb 0.00 -2.25 1.48 0.00 -1.45 0.00 0.00 42.92 40.70 1dm6 s ASP 266 CO 0.00 -0.71 2.00 -0.65 0.13 0.00 0.00 175.17 175.94 1dm6 h PRO 267 N 8.83 0.00 0.00 4.34 0.11 -1.82 -0.15 132.00 143.30 1dm6 h PRO 267 Ca -0.27 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 1dm6 h PRO 267 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1dm6 h PRO 267 CO 0.87 0.00 -0.08 0.00 -0.21 0.00 0.00 178.00 178.58 1dm6 h ALA 268 N 1.68 1.09 -0.39 -0.75 0.00 -1.93 -3.12 119.26 115.84 1dm6 h ALA 268 Ca 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1dm6 h ALA 268 Cb 0.91 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1dm6 h ALA 268 CO -0.00 0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.44 1dm6 n ASN 269 N -3.31 4.49 0.05 0.00 3.02 -0.07 -4.68 115.26 114.75 1dm6 n ASN 269 Ca -0.01 -2.91 -0.11 0.00 -0.03 0.00 0.00 54.58 51.52 1dm6 n ASN 269 Cb 0.27 -0.58 -0.05 0.00 -0.61 0.00 0.00 39.78 38.82 1dm6 n ASN 269 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1dm6 h VAL 270 N 2.65 0.68 0.25 2.41 2.07 -1.64 -0.18 116.25 122.50 1dm6 h VAL 270 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1dm6 h VAL 270 Cb 1.58 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1dm6 h VAL 270 CO 0.30 0.00 -0.12 -0.08 0.02 0.00 0.00 177.57 177.69 1dm6 h GLU 271 N -0.21 -0.33 -0.28 1.57 4.81 -1.86 -1.92 114.58 116.36 1dm6 h GLU 271 Ca 0.05 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1dm6 h GLU 271 Cb 0.27 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1dm6 h GLU 271 CO -0.13 -0.22 0.14 0.97 -0.73 0.00 0.00 179.01 179.04 1dm6 h ILE 272 N -0.34 1.10 -0.24 2.32 6.09 -1.87 -1.29 117.51 123.28 1dm6 h ILE 272 Ca -0.03 -0.28 -0.02 0.00 -1.37 0.00 0.00 64.86 63.15 1dm6 h ILE 272 Cb 0.26 0.74 -0.01 0.00 0.47 0.00 0.00 36.82 38.28 1dm6 h ILE 272 CO 0.06 0.11 0.05 0.74 -3.07 0.00 0.00 178.15 176.04 1dm6 h THR 273 N 0.39 1.22 -0.53 2.19 2.02 -0.70 -2.11 112.91 115.38 1dm6 h THR 273 Ca 0.10 -0.71 -0.10 0.00 0.77 0.00 0.00 66.41 66.48 1dm6 h THR 273 Cb 0.04 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1dm6 h THR 273 CO -0.01 0.22 -0.06 -0.33 0.37 0.00 0.00 175.52 175.71 1dm6 h GLU 274 N 0.20 0.95 -0.93 6.66 5.08 -0.82 -2.00 114.58 123.71 1dm6 h GLU 274 Ca 0.07 -0.31 0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1dm6 h GLU 274 Cb 0.29 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 1dm6 h GLU 274 CO 0.00 0.97 0.61 -0.07 -1.00 0.00 0.00 179.01 179.52 1dm6 h LEU 275 N 0.86 1.04 -0.72 1.33 3.38 -1.16 0.16 115.31 120.20 1dm6 h LEU 275 Ca 0.15 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1dm6 h LEU 275 Cb 0.58 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1dm6 h LEU 275 CO 0.04 0.73 0.29 0.00 0.09 0.00 0.00 178.44 179.59 1dm6 h ILE 277 N 1.04 1.27 -0.05 0.00 2.04 -0.59 -0.69 117.51 120.52 1dm6 h ILE 277 Ca 0.24 -1.01 0.02 0.00 1.00 0.00 0.00 64.86 65.11 1dm6 h ILE 277 Cb 0.21 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1dm6 h ILE 277 CO -0.02 0.32 0.04 1.56 0.00 0.00 0.00 178.15 180.05 1dm6 h GLN 278 N 0.32 0.00 -0.75 2.37 4.20 -0.48 -1.36 115.11 119.41 1dm6 h GLN 278 Ca 0.08 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 1dm6 h GLN 278 Cb 0.48 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.23 1dm6 h GLN 278 CO 0.02 0.00 0.08 0.72 -0.67 0.00 0.00 178.83 178.98 1dm6 n HIS 279 N -4.37 1.60 -0.10 2.96 8.25 -0.63 -4.89 115.22 118.04 1dm6 n HIS 279 Ca -0.02 -0.67 0.00 0.00 -0.26 0.00 0.00 57.72 56.77 1dm6 n HIS 279 Cb 0.14 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 30.80 1dm6 n HIS 279 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dm6 n GLY 280 N 0.26 0.73 3.73 -1.41 0.00 -0.51 -4.77 105.19 103.22 1dm6 n GLY 280 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 1dm6 n GLY 280 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1dm6 s TRP 281 N -2.11 3.79 -0.59 1.61 -0.00 -0.30 -4.99 118.94 116.35 1dm6 s TRP 281 Ca 0.00 1.77 -0.22 0.00 -0.00 0.00 0.00 56.10 57.65 1dm6 s TRP 281 Cb 0.00 -3.09 0.07 0.00 -0.00 0.00 0.00 33.47 30.44 1dm6 s TRP 281 CO 0.00 0.07 0.85 0.99 -0.00 0.00 0.00 176.95 178.85 1dm6 s THR 282 N -0.16 4.53 0.74 5.86 2.01 -1.26 -4.44 115.64 122.92 1dm6 s THR 282 Ca 0.47 -0.33 -0.13 0.00 0.31 0.00 0.00 61.69 62.01 1dm6 s THR 282 Cb -0.25 -4.54 0.04 0.00 0.01 0.00 0.00 72.50 67.77 1dm6 s THR 282 CO 0.31 -1.19 1.13 -2.16 -0.69 0.00 0.00 174.62 172.02 1dm6 s PRO 283 N 3.53 2.28 0.00 4.92 0.04 -1.26 -5.08 135.00 139.43 1dm6 s PRO 283 Ca 0.21 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1dm6 s PRO 283 Cb -0.17 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1dm6 s PRO 283 CO 0.12 -1.66 0.00 0.41 0.04 0.00 0.00 177.00 175.91 1dm6 n GLY 284 N -0.49 1.89 1.04 0.56 0.00 -1.26 -5.07 105.19 101.87 1dm6 n GLY 284 Ca 0.11 -1.98 -0.00 0.00 0.00 0.00 0.00 46.02 44.14 1dm6 n GLY 284 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1dm6 n ASN 285 N 0.00 0.14 -5.00 1.61 6.94 -1.26 -5.09 115.26 112.60 1dm6 n ASN 285 Ca 0.00 -1.87 -0.20 0.00 -0.02 0.00 0.00 54.58 52.49 1dm6 n ASN 285 Cb 0.00 -0.08 0.06 0.00 -2.36 0.00 0.00 39.78 37.40 1dm6 n ASN 285 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1dm6 s GLY 286 N -1.28 1.75 0.18 4.83 0.00 -1.26 -5.03 107.32 106.50 1dm6 s GLY 286 Ca 0.14 -2.07 0.20 0.00 0.00 0.00 0.00 44.72 42.98 1dm6 s GLY 286 CO -0.07 -1.62 1.05 3.21 0.00 0.00 0.00 173.10 175.67 1dm6 h ARG 287 N 0.15 0.00 -1.60 2.90 3.08 -1.93 -3.40 114.38 113.58 1dm6 h ARG 287 Ca -0.31 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.25 1dm6 h ARG 287 Cb 1.29 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.93 1dm6 h ARG 287 CO 0.41 0.16 -0.97 1.19 -1.07 0.00 0.00 179.97 179.69 1dm6 n PHE 288 N -2.85 2.08 -2.92 3.04 3.01 -1.26 -4.27 117.46 114.28 1dm6 n PHE 288 Ca -0.03 -3.33 -0.42 0.00 1.01 0.00 0.00 57.45 54.68 1dm6 n PHE 288 Cb 0.68 -0.33 -0.05 0.00 -0.01 0.00 0.00 39.48 39.77 1dm6 n PHE 288 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1dm6 s ASP 289 N -3.15 6.68 0.05 4.37 1.01 -1.26 -4.93 116.67 119.45 1dm6 s ASP 289 Ca 0.40 0.68 -0.31 0.00 0.71 0.00 0.00 52.55 54.03 1dm6 s ASP 289 Cb 0.39 -2.42 -0.08 0.00 1.01 0.00 0.00 42.92 41.82 1dm6 s ASP 289 CO -0.08 -0.64 1.65 -0.69 0.21 0.00 0.00 175.17 175.62 1dm6 s VAL 290 N 3.02 3.11 0.63 -1.27 1.01 -1.26 -0.92 120.40 124.72 1dm6 s VAL 290 Ca 0.33 0.52 -0.14 0.00 0.00 0.00 0.00 61.98 62.69 1dm6 s VAL 290 Cb -0.14 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 1dm6 s VAL 290 CO 0.13 -0.01 1.07 -0.76 0.00 0.00 0.00 175.10 175.53 1dm6 s LEU 291 N 2.82 3.39 0.70 3.92 1.43 0.49 -4.89 118.68 126.55 1dm6 s LEU 291 Ca 0.74 1.81 -0.07 0.00 -1.03 0.00 0.00 54.13 55.57 1dm6 s LEU 291 Cb -0.39 -4.53 0.05 0.00 0.03 0.00 0.00 46.19 41.36 1dm6 s LEU 291 CO 0.32 -1.33 1.02 -2.16 0.23 0.00 0.00 176.35 174.43 1dm6 s PRO 292 N -4.30 2.29 -0.12 1.29 0.04 -1.26 -4.75 135.00 128.19 1dm6 s PRO 292 Ca 0.63 -0.16 -0.07 0.00 0.04 0.00 0.00 61.00 61.44 1dm6 s PRO 292 Cb -0.16 -2.16 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 1dm6 s PRO 292 CO 0.42 -1.19 0.13 -0.51 0.04 0.00 0.00 177.00 175.88 1dm6 s LEU 293 N -5.25 4.32 -0.40 -3.56 1.43 0.06 -4.92 118.68 110.36 1dm6 s LEU 293 Ca 0.59 0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 54.06 1dm6 s LEU 293 Cb -0.11 -2.05 0.08 0.00 0.03 0.00 0.00 46.19 44.14 1dm6 s LEU 293 CO 0.45 0.40 0.22 -0.76 0.23 0.00 0.00 176.35 176.89 1dm6 s LEU 294 N -0.96 5.05 -0.12 1.79 1.43 -1.26 -1.25 118.68 123.36 1dm6 s LEU 294 Ca 0.15 -1.59 -0.04 0.00 -1.03 0.00 0.00 54.13 51.61 1dm6 s LEU 294 Cb -0.12 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 1dm6 s LEU 294 CO 0.04 -0.51 0.03 -0.76 0.23 0.00 0.00 176.35 175.38 1dm6 s LEU 295 N 1.35 3.72 -0.11 1.79 1.43 -0.48 -1.34 118.68 125.04 1dm6 s LEU 295 Ca 0.03 0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1dm6 s LEU 295 Cb -0.23 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.12 1dm6 s LEU 295 CO 0.00 0.31 -0.14 -1.58 0.23 0.00 0.00 176.35 175.18 1dm6 s GLN 296 N -0.48 2.07 0.29 1.70 0.74 -0.19 -0.20 119.66 123.60 1dm6 s GLN 296 Ca 0.09 -0.50 -0.08 0.00 0.05 0.00 0.00 55.36 54.93 1dm6 s GLN 296 Cb -0.12 -1.84 -0.06 0.00 1.10 0.00 0.00 33.01 32.09 1dm6 s GLN 296 CO 0.02 -0.12 0.59 0.00 -0.55 0.00 0.00 175.29 175.23 1dm6 s ALA 297 N 1.17 3.55 -0.10 1.58 0.00 -1.26 -1.61 121.76 125.08 1dm6 s ALA 297 Ca -0.03 -0.40 -0.37 0.00 0.00 0.00 0.00 51.96 51.16 1dm6 s ALA 297 Cb -0.14 -2.42 -0.18 0.00 0.00 0.00 0.00 23.12 20.38 1dm6 s ALA 297 CO -0.04 0.29 1.06 -2.30 0.00 0.00 0.00 175.76 174.77 1dm6 n PRO 298 N -0.73 0.00 -2.63 0.00 -0.02 -1.25 -1.69 135.00 128.68 1dm6 n PRO 298 Ca -0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.36 1dm6 n PRO 298 Cb 0.53 -1.34 -0.01 0.00 -0.02 0.00 0.00 33.50 32.67 1dm6 n PRO 298 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1dm6 n ASP 299 N 1.85 -3.13 -4.29 2.55 8.00 -1.26 -4.88 116.55 115.39 1dm6 n ASP 299 Ca 0.20 0.16 -0.23 0.00 0.71 0.00 0.00 54.79 55.63 1dm6 n ASP 299 Cb 0.04 -2.68 -0.12 0.00 -0.02 0.00 0.00 41.12 38.34 1dm6 n ASP 299 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1dm6 s GLU 300 N -5.21 1.14 0.53 -1.24 0.41 -0.68 -5.08 118.70 108.57 1dm6 s GLU 300 Ca 0.08 -1.21 -0.21 0.00 -0.41 0.00 0.00 54.97 53.21 1dm6 s GLU 300 Cb -0.04 -1.32 -0.05 0.00 -1.78 0.00 0.00 34.13 30.94 1dm6 s GLU 300 CO 0.09 0.30 1.24 0.00 -0.49 0.00 0.00 175.26 176.40 1dm6 s ALA 301 N -1.43 2.77 0.64 5.21 0.00 -1.26 -4.53 121.76 123.17 1dm6 s ALA 301 Ca 0.08 1.08 -0.16 0.00 0.00 0.00 0.00 51.96 52.96 1dm6 s ALA 301 Cb -0.09 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 1dm6 s ALA 301 CO 0.05 -1.05 1.14 -1.25 0.00 0.00 0.00 175.76 174.65 1dm6 s PRO 302 N -2.99 2.80 0.10 0.00 0.04 -1.26 -4.70 135.00 128.99 1dm6 s PRO 302 Ca 0.71 1.55 0.06 0.00 0.04 0.00 0.00 61.00 63.36 1dm6 s PRO 302 Cb -0.33 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1dm6 s PRO 302 CO 0.38 -1.28 -0.06 -1.21 0.04 0.00 0.00 177.00 174.87 1dm6 s GLU 303 N -3.82 2.30 -0.15 4.56 2.02 0.72 -4.88 118.70 119.44 1dm6 s GLU 303 Ca 0.71 -0.95 -0.14 0.00 0.02 0.00 0.00 54.97 54.61 1dm6 s GLU 303 Cb -0.24 -2.40 -0.05 0.00 0.10 0.00 0.00 34.13 31.54 1dm6 s GLU 303 CO 0.38 0.52 0.31 -1.17 0.02 0.00 0.00 175.26 175.32 1dm6 s LEU 304 N -2.27 4.26 -0.05 1.80 2.96 -1.26 -1.38 118.68 122.74 1dm6 s LEU 304 Ca 0.23 0.54 -0.00 0.00 -0.22 0.00 0.00 54.13 54.68 1dm6 s LEU 304 Cb -0.11 -2.40 0.03 0.00 0.50 0.00 0.00 46.19 44.20 1dm6 s LEU 304 CO 0.16 0.10 -0.00 -0.36 -1.32 0.00 0.00 176.35 174.93 1dm6 s PHE 305 N 0.41 0.54 -0.13 5.38 0.40 -0.38 -4.98 117.98 119.22 1dm6 s PHE 305 Ca 0.17 -0.10 -0.21 0.00 -0.60 0.00 0.00 56.93 56.20 1dm6 s PHE 305 Cb -0.13 -0.64 -0.03 0.00 0.51 0.00 0.00 43.02 42.72 1dm6 s PHE 305 CO 0.05 -0.24 0.63 0.08 0.70 0.00 0.00 175.22 176.44 1dm6 s VAL 306 N 1.53 5.06 0.15 -0.44 1.01 -1.26 -0.76 120.40 125.69 1dm6 s VAL 306 Ca -0.02 1.25 -0.30 0.00 0.00 0.00 0.00 61.98 62.90 1dm6 s VAL 306 Cb -0.13 -3.96 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 1dm6 s VAL 306 CO -0.03 0.21 1.04 -0.76 0.00 0.00 0.00 175.10 175.56 1dm6 s LEU 307 N 1.21 4.50 0.00 3.92 1.43 -1.26 -4.96 118.68 123.51 1dm6 s LEU 307 Ca 0.32 1.96 -0.31 0.00 -1.03 0.00 0.00 54.13 55.07 1dm6 s LEU 307 Cb -0.16 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.36 1dm6 s LEU 307 CO 0.13 -0.14 1.97 -2.65 0.23 0.00 0.00 176.35 175.89 1dm6 n PRO 308 N 2.49 2.70 -0.37 1.29 -0.02 -1.26 -4.85 135.00 134.98 1dm6 n PRO 308 Ca 0.02 0.98 0.34 0.00 -2.02 0.00 0.00 63.50 62.83 1dm6 n PRO 308 Cb 0.47 -2.94 0.69 0.00 -0.02 0.00 0.00 33.50 31.70 1dm6 n PRO 308 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1dm6 h PRO 309 N 10.47 0.10 0.00 0.52 0.11 -1.94 0.43 132.00 141.69 1dm6 h PRO 309 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1dm6 h PRO 309 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1dm6 h PRO 309 CO 0.94 0.07 0.00 -0.85 -0.21 0.00 0.00 178.00 177.95 1dm6 n GLU 310 N -4.32 0.20 0.06 1.05 0.00 -1.26 -2.76 120.64 113.61 1dm6 n GLU 310 Ca 0.28 0.07 0.10 0.00 0.00 0.00 0.00 57.16 57.61 1dm6 n GLU 310 Cb 1.24 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 31.13 1dm6 n GLU 310 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1dm6 n LEU 311 N -1.38 0.60 -4.36 -1.84 4.32 0.15 -4.73 117.00 109.77 1dm6 n LEU 311 Ca 0.09 0.24 -0.46 0.00 -0.02 0.00 0.00 56.01 55.86 1dm6 n LEU 311 Cb 0.23 -0.02 -0.03 0.00 -1.62 0.00 0.00 43.42 41.99 1dm6 n LEU 311 CO 0.20 -0.09 0.51 -0.69 -1.22 0.00 0.00 177.39 176.10 1dm6 s VAL 312 N -3.34 5.29 0.09 4.08 1.01 -1.11 -4.81 120.40 121.60 1dm6 s VAL 312 Ca -0.03 -2.00 -0.30 0.00 0.00 0.00 0.00 61.98 59.65 1dm6 s VAL 312 Cb 0.11 -4.52 -0.06 0.00 0.00 0.00 0.00 36.38 31.90 1dm6 s VAL 312 CO 0.83 -1.12 1.19 -0.22 0.00 0.00 0.00 175.10 175.78 1dm6 s LEU 313 N 1.15 4.39 0.17 3.92 2.96 -1.26 -5.00 118.68 125.01 1dm6 s LEU 313 Ca 0.18 2.06 0.07 0.00 -0.22 0.00 0.00 54.13 56.22 1dm6 s LEU 313 Cb -0.13 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 1dm6 s LEU 313 CO -0.06 -0.44 -0.15 -1.61 -1.32 0.00 0.00 176.35 172.77 1dm6 s GLU 314 N 0.77 1.21 -0.22 1.98 2.02 -1.26 -1.61 118.70 121.59 1dm6 s GLU 314 Ca 0.57 -1.44 0.01 0.00 0.02 0.00 0.00 54.97 54.13 1dm6 s GLU 314 Cb -0.30 -1.07 0.05 0.00 0.10 0.00 0.00 34.13 32.91 1dm6 s GLU 314 CO 0.31 0.19 -0.10 0.08 0.02 0.00 0.00 175.26 175.76 1dm6 s VAL 315 N -2.58 1.77 0.20 2.63 1.01 0.60 -4.90 120.40 119.13 1dm6 s VAL 315 Ca 0.17 -1.21 -0.31 0.00 0.00 0.00 0.00 61.98 60.63 1dm6 s VAL 315 Cb -0.03 -1.88 -0.10 0.00 0.00 0.00 0.00 36.38 34.37 1dm6 s VAL 315 CO 0.05 0.08 1.52 -2.84 0.00 0.00 0.00 175.10 173.91 1dm6 s PRO 316 N 1.32 4.23 -0.16 2.72 0.02 -1.26 -2.59 135.00 139.27 1dm6 s PRO 316 Ca -0.04 2.34 -0.19 0.00 0.02 0.00 0.00 61.00 63.13 1dm6 s PRO 316 Cb -0.18 -3.14 -0.03 0.00 0.02 0.00 0.00 34.50 31.17 1dm6 s PRO 316 CO -0.07 -0.54 0.53 -0.51 -0.33 0.00 0.00 177.00 176.08 1dm6 s LEU 317 N 0.55 4.20 0.06 -5.54 1.43 -0.32 -4.84 118.68 114.21 1dm6 s LEU 317 Ca 0.66 0.79 -0.01 0.00 -1.03 0.00 0.00 54.13 54.53 1dm6 s LEU 317 Cb -0.43 -2.76 -0.04 0.00 0.03 0.00 0.00 46.19 42.99 1dm6 s LEU 317 CO 0.36 -0.13 -0.02 -1.83 0.23 0.00 0.00 176.35 174.96 1dm6 s GLU 318 N 1.26 0.65 -0.01 1.70 -1.05 -1.26 -4.23 118.70 115.75 1dm6 s GLU 318 Ca 0.26 -1.25 0.01 0.00 -0.15 0.00 0.00 54.97 53.85 1dm6 s GLU 318 Cb -0.16 0.20 -0.04 0.00 -0.44 0.00 0.00 34.13 33.70 1dm6 s GLU 318 CO 0.11 -0.12 0.02 -1.58 0.95 0.00 0.00 175.26 174.63 1dm6 s HIS 319 N -3.93 3.13 0.25 4.83 5.65 -1.26 -4.29 115.29 119.67 1dm6 s HIS 319 Ca 0.09 0.12 -0.03 0.00 0.25 0.00 0.00 55.06 55.48 1dm6 s HIS 319 Cb 0.08 -1.69 0.43 0.00 -1.18 0.00 0.00 32.58 30.22 1dm6 s HIS 319 CO -0.09 0.48 1.80 -1.35 -0.65 0.00 0.00 174.74 174.94 1dm6 h PRO 320 N 4.35 0.75 0.00 2.88 0.11 -1.92 -3.35 132.00 134.82 1dm6 h PRO 320 Ca -0.49 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 1dm6 h PRO 320 Cb 1.18 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 1dm6 h PRO 320 CO 0.58 0.50 -1.03 0.25 -0.21 0.00 0.00 178.00 178.09 1dm6 n THR 321 N -4.76 0.02 -2.85 -1.15 -2.24 -1.26 -4.93 114.28 97.10 1dm6 n THR 321 Ca 0.15 -0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.48 1dm6 n THR 321 Cb 0.31 -0.16 -0.04 0.00 -2.10 0.00 0.00 70.33 68.35 1dm6 n THR 321 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1dm6 s LEU 322 N -3.48 4.39 0.35 3.22 1.43 -1.26 -4.90 118.68 118.45 1dm6 s LEU 322 Ca -0.00 -1.04 0.07 0.00 -1.03 0.00 0.00 54.13 52.12 1dm6 s LEU 322 Cb 0.00 -2.42 0.77 0.00 0.03 0.00 0.00 46.19 44.57 1dm6 s LEU 322 CO 0.02 -1.43 1.90 1.05 0.23 0.00 0.00 176.35 178.12 1dm6 h GLU 323 N 9.54 0.72 0.00 1.70 9.09 -1.92 -2.48 114.58 131.23 1dm6 h GLU 323 Ca -0.26 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.11 1dm6 h GLU 323 Cb 1.07 -0.16 0.00 0.00 -1.65 0.00 0.00 28.75 28.00 1dm6 h GLU 323 CO 1.18 0.48 0.00 -2.67 0.05 0.00 0.00 179.01 178.05 1dm6 n TRP 324 N -4.53 0.60 -0.23 2.06 4.27 -1.26 -3.51 117.44 114.84 1dm6 n TRP 324 Ca 0.15 0.22 0.00 0.00 -3.89 0.00 0.00 57.50 53.99 1dm6 n TRP 324 Cb 0.37 -0.86 0.23 0.00 -1.36 0.00 0.00 31.31 29.68 1dm6 n TRP 324 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 1dm6 h PHE 325 N 0.00 0.98 0.00 -2.67 3.57 -1.82 -1.67 116.94 115.33 1dm6 h PHE 325 Ca 0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1dm6 h PHE 325 Cb 0.39 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 1dm6 h PHE 325 CO 0.00 0.62 -0.09 0.00 -2.23 0.00 0.00 178.31 176.61 1dm6 h ALA 326 N 1.51 1.73 0.00 2.41 0.00 -1.73 -1.48 119.26 121.70 1dm6 h ALA 326 Ca 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1dm6 h ALA 326 Cb -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1dm6 h ALA 326 CO -0.06 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1dm6 n ALA 327 N -2.47 1.64 0.60 0.00 0.00 -0.63 -2.23 120.51 117.43 1dm6 n ALA 327 Ca -0.03 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.50 1dm6 n ALA 327 Cb 0.17 -1.24 0.46 0.00 0.00 0.00 0.00 19.45 18.84 1dm6 n ALA 327 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1dm6 n LEU 328 N -1.56 0.50 -2.06 0.00 4.77 -0.56 -4.90 117.00 113.19 1dm6 n LEU 328 Ca 0.03 0.58 -0.20 0.00 -0.03 0.00 0.00 56.01 56.39 1dm6 n LEU 328 Cb 0.17 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 40.76 1dm6 n LEU 328 CO 0.14 -0.28 -0.24 0.61 -1.33 0.00 0.00 177.39 176.29 1dm6 n GLY 329 N 0.72 0.37 3.85 -0.72 0.00 -0.94 -4.98 105.19 103.49 1dm6 n GLY 329 Ca 0.04 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1dm6 n GLY 329 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dm6 s LEU 330 N -5.43 3.65 0.06 0.99 1.43 -1.26 -4.97 118.68 113.14 1dm6 s LEU 330 Ca 0.00 1.43 -0.27 0.00 -1.03 0.00 0.00 54.13 54.26 1dm6 s LEU 330 Cb 0.00 -4.36 0.09 0.00 0.03 0.00 0.00 46.19 41.94 1dm6 s LEU 330 CO 0.00 -0.56 0.93 0.00 0.23 0.00 0.00 176.35 176.95 1dm6 s ARG 331 N -4.10 0.96 0.05 1.70 1.70 -1.26 -1.18 118.95 116.82 1dm6 s ARG 331 Ca 0.56 -0.44 -0.19 0.00 -0.47 0.00 0.00 55.73 55.19 1dm6 s ARG 331 Cb -0.10 0.38 0.04 0.00 -0.57 0.00 0.00 34.95 34.70 1dm6 s ARG 331 CO 0.33 -0.43 0.43 -0.46 -1.08 0.00 0.00 175.30 174.09 1dm6 s TRP 332 N -3.16 -0.29 0.54 5.89 -0.11 -1.07 -4.95 118.94 115.78 1dm6 s TRP 332 Ca 0.08 0.25 -0.16 0.00 1.22 0.00 0.00 56.10 57.50 1dm6 s TRP 332 Cb -0.01 0.24 -0.07 0.00 -1.50 0.00 0.00 33.47 32.13 1dm6 s TRP 332 CO -0.04 -0.58 1.00 1.52 -4.62 0.00 0.00 176.95 174.22 1dm6 s TYR 333 N -2.51 3.45 0.11 5.86 -0.85 -1.26 -0.29 117.35 121.86 1dm6 s TYR 333 Ca -0.05 1.44 0.00 0.00 -0.52 0.00 0.00 57.07 57.94 1dm6 s TYR 333 Cb -0.01 -2.80 -0.19 0.00 0.38 0.00 0.00 41.96 39.35 1dm6 s TYR 333 CO -0.03 -0.47 1.24 0.00 -1.52 0.00 0.00 175.55 174.78 1dm6 h ALA 334 N 0.69 0.27 -2.57 9.51 0.00 -1.65 -3.46 119.26 122.05 1dm6 h ALA 334 Ca -0.46 -0.84 -0.68 0.00 0.00 0.00 0.00 54.91 52.92 1dm6 h ALA 334 Cb 1.19 -0.05 -0.19 0.00 0.00 0.00 0.00 17.79 18.74 1dm6 h ALA 334 CO 0.61 1.02 -0.36 -1.17 0.00 0.00 0.00 179.25 179.35 1dm6 s LEU 335 N -7.14 4.68 -0.72 0.00 2.96 -1.26 -4.53 118.68 112.66 1dm6 s LEU 335 Ca -0.03 -0.50 -0.18 0.00 -0.22 0.00 0.00 54.13 53.20 1dm6 s LEU 335 Cb 0.09 -2.25 0.13 0.00 0.50 0.00 0.00 46.19 44.66 1dm6 s LEU 335 CO 0.85 -0.38 0.81 -2.16 -1.32 0.00 0.00 176.35 174.16 1dm6 s PRO 336 N 1.89 3.28 -0.39 0.98 0.04 -1.26 -4.72 135.00 134.82 1dm6 s PRO 336 Ca 0.09 -1.65 0.02 0.00 0.04 0.00 0.00 61.00 59.50 1dm6 s PRO 336 Cb -0.17 -4.44 0.11 0.00 0.04 0.00 0.00 34.50 30.03 1dm6 s PRO 336 CO 0.11 -1.54 0.13 0.00 0.04 0.00 0.00 177.00 175.74 1dm6 s ALA 337 N 2.17 3.04 0.08 8.56 0.00 -1.26 -3.77 121.76 130.57 1dm6 s ALA 337 Ca 0.17 -2.66 -0.31 0.00 0.00 0.00 0.00 51.96 49.17 1dm6 s ALA 337 Cb -0.17 -2.13 -0.07 0.00 0.00 0.00 0.00 23.12 20.76 1dm6 s ALA 337 CO -0.00 -1.77 1.29 0.08 0.00 0.00 0.00 175.76 175.36 1dm6 s VAL 338 N 0.78 3.70 0.00 0.00 1.01 -0.48 -1.16 120.40 124.24 1dm6 s VAL 338 Ca 0.11 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.30 1dm6 s VAL 338 Cb -0.21 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1dm6 s VAL 338 CO -0.06 0.09 0.68 -1.54 0.00 0.00 0.00 175.10 174.27 1dm6 n SER 339 N 4.03 1.02 -0.65 3.32 3.41 -0.52 -1.35 113.62 122.87 1dm6 n SER 339 Ca 0.10 -1.45 0.07 0.00 -0.26 0.00 0.00 58.87 57.33 1dm6 n SER 339 Cb 0.44 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.52 1dm6 n SER 339 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1dm6 n ASN 340 N -0.22 2.64 -4.91 4.04 2.04 -1.24 -4.41 115.26 113.19 1dm6 n ASN 340 Ca 0.00 -1.79 -0.28 0.00 -0.44 0.00 0.00 54.58 52.07 1dm6 n ASN 340 Cb 0.31 -0.15 -0.03 0.00 -2.53 0.00 0.00 39.78 37.38 1dm6 n ASN 340 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 1dm6 s MET 341 N -1.05 3.58 -0.16 -3.83 -1.94 -1.26 -4.38 119.30 110.26 1dm6 s MET 341 Ca 0.22 -0.17 -0.09 0.00 -1.71 0.00 0.00 55.69 53.94 1dm6 s MET 341 Cb 0.13 -2.76 -0.05 0.00 2.01 0.00 0.00 34.83 34.17 1dm6 s MET 341 CO 0.18 0.33 0.13 -1.17 -0.01 0.00 0.00 175.02 174.48 1dm6 s LEU 342 N -3.36 4.28 -0.26 -0.03 0.20 0.16 -4.40 118.68 115.27 1dm6 s LEU 342 Ca 0.41 0.34 -0.09 0.00 0.69 0.00 0.00 54.13 55.47 1dm6 s LEU 342 Cb -0.11 -2.08 -0.04 0.00 -0.43 0.00 0.00 46.19 43.53 1dm6 s LEU 342 CO 0.29 0.29 0.14 -0.22 -0.29 0.00 0.00 176.35 176.55 1dm6 s LEU 343 N -0.28 3.77 -0.19 -0.68 2.96 -0.76 -0.46 118.68 123.04 1dm6 s LEU 343 Ca 0.11 -0.09 -0.03 0.00 -0.22 0.00 0.00 54.13 53.90 1dm6 s LEU 343 Cb -0.11 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 1dm6 s LEU 343 CO 0.01 -0.04 -0.05 -0.70 -1.32 0.00 0.00 176.35 174.25 1dm6 s GLU 344 N 1.67 3.47 -0.08 1.98 -6.30 -0.22 -0.16 118.70 119.05 1dm6 s GLU 344 Ca 0.07 -0.60 -0.01 0.00 -2.50 0.00 0.00 54.97 51.93 1dm6 s GLU 344 Cb -0.16 -2.95 0.03 0.00 0.00 0.00 0.00 34.13 31.05 1dm6 s GLU 344 CO 0.08 -0.03 -0.02 0.42 0.02 0.00 0.00 175.26 175.73 1dm6 s ILE 345 N 1.05 0.53 -1.62 -3.70 1.01 -0.39 -1.87 121.20 116.22 1dm6 s ILE 345 Ca 0.01 0.02 -0.16 0.00 0.00 0.00 0.00 60.65 60.51 1dm6 s ILE 345 Cb -0.15 -0.65 0.13 0.00 0.01 0.00 0.00 42.46 41.80 1dm6 s ILE 345 CO 0.00 0.28 0.87 0.61 0.00 0.00 0.00 174.94 176.71 1dm6 n GLY 346 N 5.04 -0.47 2.63 6.18 0.00 -1.26 -0.58 105.19 116.72 1dm6 n GLY 346 Ca -0.09 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1dm6 n GLY 346 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dm6 n GLY 347 N -1.51 2.65 3.81 -0.02 0.00 -1.26 -3.64 105.19 105.21 1dm6 n GLY 347 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1dm6 n GLY 347 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dm6 s LEU 348 N 0.00 4.33 -0.13 0.99 1.43 0.25 -5.06 118.68 120.49 1dm6 s LEU 348 Ca 0.00 1.45 0.03 0.00 -1.03 0.00 0.00 54.13 54.58 1dm6 s LEU 348 Cb 0.00 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.58 1dm6 s LEU 348 CO 0.00 0.01 -0.22 -1.61 0.23 0.00 0.00 176.35 174.77 1dm6 s GLU 349 N -2.02 3.06 -0.57 1.70 2.02 -1.26 -1.26 118.70 120.37 1dm6 s GLU 349 Ca 0.44 -0.85 -0.06 0.00 0.02 0.00 0.00 54.97 54.52 1dm6 s GLU 349 Cb -0.17 -2.42 0.15 0.00 0.10 0.00 0.00 34.13 31.79 1dm6 s GLU 349 CO 0.21 0.06 0.42 -0.06 0.02 0.00 0.00 175.26 175.91 1dm6 s PHE 350 N 0.65 3.49 0.17 1.61 0.08 0.77 0.46 117.98 125.21 1dm6 s PHE 350 Ca -0.11 -2.29 0.34 0.00 0.12 0.00 0.00 56.93 54.99 1dm6 s PHE 350 Cb -0.16 -3.39 1.69 0.00 -0.57 0.00 0.00 43.02 40.59 1dm6 s PHE 350 CO 0.02 -0.93 2.03 0.66 -0.10 0.00 0.00 175.22 176.89 1dm6 h SER 351 N 7.76 0.00 -3.16 1.36 4.64 -1.81 -2.03 113.55 120.31 1dm6 h SER 351 Ca -0.08 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.73 1dm6 h SER 351 Cb 1.02 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.71 1dm6 h SER 351 CO 0.77 0.00 -0.76 0.00 -0.87 0.00 0.00 176.83 175.96 1dm6 s ALA 352 N -3.78 0.85 -0.47 5.18 0.00 -1.25 -4.67 121.76 117.62 1dm6 s ALA 352 Ca -0.02 -0.69 0.06 0.00 0.00 0.00 0.00 51.96 51.32 1dm6 s ALA 352 Cb 0.10 -1.19 0.25 0.00 0.00 0.00 0.00 23.12 22.28 1dm6 s ALA 352 CO 0.39 -1.25 0.83 0.00 0.00 0.00 0.00 175.76 175.73 1dm6 n ALA 353 N 5.12 -0.67 -1.76 0.00 0.00 -1.26 -1.50 120.51 120.44 1dm6 n ALA 353 Ca -0.08 -1.78 -0.41 0.00 0.00 0.00 0.00 53.44 51.17 1dm6 n ALA 353 Cb 0.47 -1.23 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 1dm6 n ALA 353 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1dm6 n PRO 354 N 1.56 2.70 -4.19 0.00 -0.04 -1.14 -4.68 135.00 129.20 1dm6 n PRO 354 Ca 0.11 0.95 -0.17 0.00 -0.04 0.00 0.00 63.50 64.35 1dm6 n PRO 354 Cb 0.61 -2.72 -0.11 0.00 -0.04 0.00 0.00 33.50 31.24 1dm6 n PRO 354 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1dm6 s PHE 355 N -0.45 1.21 0.08 0.54 -0.12 -0.46 -1.46 117.98 117.32 1dm6 s PHE 355 Ca 0.60 -0.53 -0.17 0.00 -0.05 0.00 0.00 56.93 56.78 1dm6 s PHE 355 Cb -0.49 -0.66 0.03 0.00 -0.63 0.00 0.00 43.02 41.27 1dm6 s PHE 355 CO 0.55 0.06 0.39 -1.54 -0.05 0.00 0.00 175.22 174.63 1dm6 s SER 356 N -2.09 -0.24 0.00 1.98 1.04 0.64 -1.38 113.70 113.64 1dm6 s SER 356 Ca 0.02 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1dm6 s SER 356 Cb -0.07 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1dm6 s SER 356 CO 0.02 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1dm6 n GLY 357 N 0.19 3.22 3.26 7.32 0.00 -1.25 -0.81 105.19 117.12 1dm6 n GLY 357 Ca -0.17 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 1dm6 n GLY 357 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1dm6 s TRP 358 N 2.35 0.21 0.55 1.61 -2.14 -1.26 -4.63 118.94 115.63 1dm6 s TRP 358 Ca 0.00 -0.61 -0.18 0.00 2.66 0.00 0.00 56.10 57.97 1dm6 s TRP 358 Cb 0.00 -0.04 -0.06 0.00 -3.10 0.00 0.00 33.47 30.27 1dm6 s TRP 358 CO 0.00 -0.61 1.05 0.71 -2.66 0.00 0.00 176.95 175.44 1dm6 s TYR 359 N -3.89 2.98 -0.18 1.66 2.02 -1.26 -4.94 117.35 113.74 1dm6 s TYR 359 Ca 0.09 1.54 -0.06 0.00 -0.37 0.00 0.00 57.07 58.27 1dm6 s TYR 359 Cb 0.04 -3.04 -0.04 0.00 -0.40 0.00 0.00 41.96 38.52 1dm6 s TYR 359 CO -0.07 -1.01 0.03 1.41 -1.57 0.00 0.00 175.55 174.33 1dm6 s MET 360 N -3.69 3.87 0.41 -0.62 -2.45 -1.26 -2.12 119.30 113.44 1dm6 s MET 360 Ca 0.66 -0.40 0.25 0.00 -1.25 0.00 0.00 55.69 54.94 1dm6 s MET 360 Cb -0.16 -3.12 1.31 0.00 1.25 0.00 0.00 34.83 34.11 1dm6 s MET 360 CO 0.29 0.25 1.64 0.66 1.05 0.00 0.00 175.02 178.92 1dm6 h SER 361 N 6.73 0.33 0.24 1.11 4.64 -1.07 -0.75 113.55 124.78 1dm6 h SER 361 Ca -0.35 0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.09 1dm6 h SER 361 Cb 1.17 0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1dm6 h SER 361 CO 0.68 -0.17 -0.16 0.71 -0.87 0.00 0.00 176.83 177.02 1dm6 h THR 362 N 0.16 0.90 -0.95 2.95 1.35 -1.95 -0.94 112.91 114.43 1dm6 h THR 362 Ca 0.78 -0.57 0.04 0.00 -0.55 0.00 0.00 66.41 66.10 1dm6 h THR 362 Cb 2.24 1.33 -0.06 0.00 -1.73 0.00 0.00 68.15 69.93 1dm6 h THR 362 CO -0.48 0.15 0.62 -0.33 -0.25 0.00 0.00 175.52 175.23 1dm6 h GLU 363 N 0.00 1.17 0.00 4.72 5.08 -1.54 -0.23 114.58 123.78 1dm6 h GLU 363 Ca -0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1dm6 h GLU 363 Cb 0.32 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1dm6 h GLU 363 CO 0.02 0.77 -0.21 0.82 -1.00 0.00 0.00 179.01 179.42 1dm6 h ILE 364 N 1.20 0.00 -0.98 3.13 2.04 -1.61 -0.22 117.51 121.07 1dm6 h ILE 364 Ca 0.38 -0.80 0.04 0.00 1.00 0.00 0.00 64.86 65.47 1dm6 h ILE 364 Cb 0.00 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.02 1dm6 h ILE 364 CO -0.12 0.00 0.64 1.23 0.00 0.00 0.00 178.15 179.90 1dm6 h GLY 365 N -0.80 1.44 0.00 5.37 0.00 -1.26 -0.40 103.07 107.41 1dm6 h GLY 365 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1dm6 h GLY 365 CO 0.00 0.42 -0.57 2.41 0.00 0.00 0.00 176.54 178.80 1dm6 n THR 366 N -4.46 1.15 0.18 4.70 -1.04 -0.17 -3.98 114.28 110.67 1dm6 n THR 366 Ca 0.13 0.25 -0.08 0.00 -2.04 0.00 0.00 64.05 62.31 1dm6 n THR 366 Cb 0.09 -2.19 -0.04 0.00 -1.82 0.00 0.00 70.33 66.37 1dm6 n THR 366 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1dm6 h ARG 367 N -0.79 -0.50 -0.80 -2.82 2.47 -1.42 -0.72 114.38 109.80 1dm6 h ARG 367 Ca 0.00 0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.76 1dm6 h ARG 367 Cb 0.57 0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 28.96 1dm6 h ARG 367 CO 0.00 -0.33 0.52 -0.91 0.56 0.00 0.00 179.97 179.81 1dm6 h ASN 368 N -0.98 0.93 0.48 7.04 2.35 -1.01 -1.29 115.58 123.09 1dm6 h ASN 368 Ca -0.05 -0.03 -0.27 0.00 -0.55 0.00 0.00 56.30 55.39 1dm6 h ASN 368 Cb 0.40 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.49 1dm6 h ASN 368 CO 0.09 0.68 -1.72 0.18 -1.65 0.00 0.00 177.43 175.01 1dm6 n LEU 369 N -4.51 0.78 -0.00 1.61 4.77 -0.16 -2.81 117.00 116.67 1dm6 n LEU 369 Ca 0.08 0.37 0.08 0.00 -0.03 0.00 0.00 56.01 56.50 1dm6 n LEU 369 Cb 0.02 0.18 -0.10 0.00 -2.33 0.00 0.00 43.42 41.20 1dm6 n LEU 369 CO 0.36 0.35 -0.23 0.00 -1.33 0.00 0.00 177.39 176.54 1dm6 n ASP 371 N -1.58 3.51 0.15 0.00 10.43 -0.49 -4.60 116.55 123.97 1dm6 n ASP 371 Ca 0.01 1.18 0.06 0.00 2.57 0.00 0.00 54.79 58.61 1dm6 n ASP 371 Cb 0.30 -1.60 0.52 0.00 1.84 0.00 0.00 41.12 42.18 1dm6 n ASP 371 CO 0.00 0.00 0.00 1.55 -1.07 0.00 0.00 177.20 177.68 1dm6 h PRO 372 N 2.66 0.22 -0.64 -0.24 0.13 -1.94 -1.84 132.00 130.35 1dm6 h PRO 372 Ca -0.50 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1dm6 h PRO 372 Cb 1.26 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1dm6 h PRO 372 CO 0.63 0.19 0.00 -2.39 -0.23 0.00 0.00 178.00 176.20 1dm6 n HIS 373 N -4.46 1.52 0.00 1.56 1.44 -1.26 -4.65 115.22 109.36 1dm6 n HIS 373 Ca -0.01 -0.56 0.00 0.00 -2.01 0.00 0.00 57.72 55.14 1dm6 n HIS 373 Cb 0.12 -0.33 0.00 0.00 0.12 0.00 0.00 29.99 29.90 1dm6 n HIS 373 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1dm6 n ARG 374 N 0.76 2.65 0.29 -1.40 5.12 -0.71 -4.30 116.66 119.07 1dm6 n ARG 374 Ca 0.23 0.00 0.17 0.00 -1.93 0.00 0.00 57.85 56.32 1dm6 n ARG 374 Cb 0.91 0.00 0.84 0.00 -1.16 0.00 0.00 32.46 33.05 1dm6 n ARG 374 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1dm6 h TYR 375 N 0.00 0.00 -6.78 -1.55 -1.99 -1.68 -3.42 116.97 101.55 1dm6 h TYR 375 Ca 0.00 0.00 -0.56 0.00 2.00 0.00 0.00 58.73 60.17 1dm6 h TYR 375 Cb 0.00 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.69 1dm6 h TYR 375 CO 0.00 0.05 -0.98 -1.71 -0.00 0.00 0.00 178.16 175.52 1dm6 n ASN 376 N -3.28 -2.82 -0.58 3.88 5.15 -0.91 -4.88 115.26 111.82 1dm6 n ASN 376 Ca -0.01 -1.21 0.13 0.00 -0.60 0.00 0.00 54.58 52.90 1dm6 n ASN 376 Cb 0.22 -2.16 0.44 0.00 -0.53 0.00 0.00 39.78 37.75 1dm6 n ASN 376 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1dm6 n ILE 377 N -4.71 0.02 -0.16 -1.44 -5.35 -0.66 -4.52 119.36 102.54 1dm6 n ILE 377 Ca -0.18 -0.31 -0.04 0.00 -0.27 0.00 0.00 62.75 61.95 1dm6 n ILE 377 Cb 0.61 0.67 0.02 0.00 -1.74 0.00 0.00 39.64 39.20 1dm6 n ILE 377 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1dm6 h LEU 378 N 2.78 -0.76 -0.46 7.28 5.85 -1.86 -1.71 115.31 126.43 1dm6 h LEU 378 Ca 0.00 0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 1dm6 h LEU 378 Cb 0.59 0.41 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1dm6 h LEU 378 CO 0.00 -0.24 0.19 -0.08 -0.34 0.00 0.00 178.44 177.96 1dm6 h GLU 379 N -0.11 0.68 -0.51 1.25 4.81 -1.98 -1.14 114.58 117.59 1dm6 h GLU 379 Ca 0.23 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 59.39 1dm6 h GLU 379 Cb 0.47 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.68 1dm6 h GLU 379 CO -0.56 0.62 0.23 -0.44 -0.73 0.00 0.00 179.01 178.13 1dm6 h ASP 380 N 0.60 0.30 -0.50 1.04 3.32 -1.74 0.82 116.42 120.26 1dm6 h ASP 380 Ca 0.15 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 1dm6 h ASP 380 Cb 0.18 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1dm6 h ASP 380 CO -0.01 0.21 -0.01 0.58 -1.72 0.00 0.00 179.24 178.28 1dm6 h VAL 381 N 0.45 1.26 -0.24 -1.35 2.07 -1.18 -1.53 116.25 115.72 1dm6 h VAL 381 Ca 0.23 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1dm6 h VAL 381 Cb 0.18 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1dm6 h VAL 381 CO -0.19 0.39 0.12 0.00 0.02 0.00 0.00 177.57 177.91 1dm6 h ALA 382 N 1.12 0.31 -0.73 1.67 0.00 -0.35 -0.37 119.26 120.91 1dm6 h ALA 382 Ca 0.16 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1dm6 h ALA 382 Cb 0.52 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1dm6 h ALA 382 CO 0.03 -0.12 0.28 0.28 0.00 0.00 0.00 179.25 179.72 1dm6 h VAL 383 N 0.26 1.25 -0.66 0.00 2.07 -0.73 -0.19 116.25 118.24 1dm6 h VAL 383 Ca 0.08 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 1dm6 h VAL 383 Cb 0.12 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1dm6 h VAL 383 CO -0.01 0.32 0.28 0.00 0.02 0.00 0.00 177.57 178.18 1dm6 n MET 385 N -4.31 0.91 -3.64 0.00 2.81 -0.18 -4.91 117.12 107.80 1dm6 n MET 385 Ca 0.06 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.71 1dm6 n MET 385 Cb 0.16 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.21 1dm6 n MET 385 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1dm6 n ASP 386 N -1.04 -3.41 -4.97 7.83 4.64 0.13 -4.98 116.55 114.75 1dm6 n ASP 386 Ca 0.22 -0.88 -0.21 0.00 -1.38 0.00 0.00 54.79 52.54 1dm6 n ASP 386 Cb 0.13 -3.94 -0.01 0.00 -1.04 0.00 0.00 41.12 36.25 1dm6 n ASP 386 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1dm6 s LEU 387 N -6.42 4.17 -1.06 -2.67 1.43 -0.54 -5.01 118.68 108.59 1dm6 s LEU 387 Ca 0.24 0.12 -0.22 0.00 -1.03 0.00 0.00 54.13 53.23 1dm6 s LEU 387 Cb -0.07 -2.95 0.03 0.00 0.03 0.00 0.00 46.19 43.22 1dm6 s LEU 387 CO 0.82 -0.20 1.63 -0.62 0.23 0.00 0.00 176.35 178.21 1dm6 s ASP 388 N -4.03 6.19 0.00 2.29 -1.08 -1.26 -4.76 116.67 114.02 1dm6 s ASP 388 Ca 0.38 -1.49 0.06 0.00 -0.52 0.00 0.00 52.55 50.98 1dm6 s ASP 388 Cb -0.09 -2.57 0.22 0.00 -1.46 0.00 0.00 42.92 39.02 1dm6 s ASP 388 CO 0.31 -1.80 1.17 0.35 0.52 0.00 0.00 175.17 175.72 1dm6 n THR 389 N 7.06 0.17 0.20 1.71 -2.24 -1.26 -3.84 114.28 116.08 1dm6 n THR 389 Ca 0.38 -0.18 0.08 0.00 -2.27 0.00 0.00 64.05 62.07 1dm6 n THR 389 Cb 0.49 0.08 0.33 0.00 -2.10 0.00 0.00 70.33 69.12 1dm6 n THR 389 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1dm6 h ARG 390 N 0.80 0.00 -3.51 -0.78 3.08 -2.04 -3.46 114.38 108.47 1dm6 h ARG 390 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1dm6 h ARG 390 Cb 0.18 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.04 1dm6 h ARG 390 CO 0.00 0.27 -0.45 -0.08 -1.07 0.00 0.00 179.97 178.64 1dm6 s THR 391 N -3.43 0.09 0.15 2.04 -1.32 -1.25 -5.06 115.64 106.86 1dm6 s THR 391 Ca 0.02 -0.76 -0.13 0.00 -1.21 0.00 0.00 61.69 59.61 1dm6 s THR 391 Cb 0.09 -0.61 0.02 0.00 -1.51 0.00 0.00 72.50 70.48 1dm6 s THR 391 CO 0.66 -0.42 1.61 0.71 -2.21 0.00 0.00 174.62 174.98 1dm6 h THR 392 N 3.98 1.26 0.00 5.08 1.35 -1.89 -3.17 112.91 119.51 1dm6 h THR 392 Ca -0.31 -0.99 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 1dm6 h THR 392 Cb 1.19 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1dm6 h THR 392 CO 0.43 0.35 0.14 -1.54 -0.25 0.00 0.00 175.52 174.65 1dm6 n SER 393 N -4.39 0.28 0.06 5.36 3.41 -1.26 -0.71 113.62 116.37 1dm6 n SER 393 Ca 0.01 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.31 1dm6 n SER 393 Cb 0.28 -0.56 0.49 0.00 -0.26 0.00 0.00 64.21 64.16 1dm6 n SER 393 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1dm6 n SER 394 N -1.87 0.46 -2.49 4.04 3.41 -1.20 -4.92 113.62 111.05 1dm6 n SER 394 Ca -0.01 0.55 -0.20 0.00 -0.26 0.00 0.00 58.87 58.95 1dm6 n SER 394 Cb 0.15 -0.67 0.01 0.00 -0.26 0.00 0.00 64.21 63.44 1dm6 n SER 394 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1dm6 n LEU 395 N -1.93 -2.19 -0.09 1.04 4.77 0.11 -4.90 117.00 113.82 1dm6 n LEU 395 Ca 0.06 -0.12 0.01 0.00 -0.03 0.00 0.00 56.01 55.93 1dm6 n LEU 395 Cb 0.38 -2.83 0.30 0.00 -2.33 0.00 0.00 43.42 38.94 1dm6 n LEU 395 CO 0.28 -0.04 1.10 4.11 -1.33 0.00 0.00 177.39 181.51 1dm6 h TRP 396 N -0.52 0.72 -0.53 -1.77 5.08 -1.84 -1.11 115.95 115.97 1dm6 h TRP 396 Ca -0.48 -0.02 -0.03 0.00 1.08 0.00 0.00 58.89 59.44 1dm6 h TRP 396 Cb 1.35 -0.23 -0.02 0.00 -3.00 0.00 0.00 29.16 27.26 1dm6 h TRP 396 CO 0.52 0.53 0.23 0.87 -1.28 0.00 0.00 178.44 179.31 1dm6 h LYS 397 N 0.73 0.78 -0.40 0.12 1.57 -1.90 -0.77 116.57 116.70 1dm6 h LYS 397 Ca 0.18 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1dm6 h LYS 397 Cb 0.08 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1dm6 h LYS 397 CO -0.02 0.67 0.04 -0.44 -0.57 0.00 0.00 179.45 179.12 1dm6 h ASP 398 N 0.71 0.66 -0.41 0.86 5.19 -1.82 -1.30 116.42 120.32 1dm6 h ASP 398 Ca 0.18 -0.28 -0.04 0.00 -0.62 0.00 0.00 57.03 56.27 1dm6 h ASP 398 Cb 0.17 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.48 1dm6 h ASP 398 CO -0.02 0.78 0.10 0.11 -3.12 0.00 0.00 179.24 177.09 1dm6 h LYS 399 N 0.53 0.66 -0.31 3.56 1.57 -1.04 -2.26 116.57 119.27 1dm6 h LYS 399 Ca 0.12 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1dm6 h LYS 399 Cb 0.42 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1dm6 h LYS 399 CO 0.01 0.68 0.07 0.00 -0.57 0.00 0.00 179.45 179.64 1dm6 h ALA 400 N 0.95 0.41 -0.68 3.86 0.00 -1.09 -2.74 119.26 119.96 1dm6 h ALA 400 Ca 0.13 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1dm6 h ALA 400 Cb 0.31 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 1dm6 h ALA 400 CO 0.00 0.07 0.35 0.00 0.00 0.00 0.00 179.25 179.67 1dm6 h ALA 401 N 0.91 0.93 -0.51 0.00 0.00 -1.17 -1.12 119.26 118.31 1dm6 h ALA 401 Ca 0.10 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1dm6 h ALA 401 Cb 0.30 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1dm6 h ALA 401 CO 0.00 -0.03 0.28 0.28 0.00 0.00 0.00 179.25 179.78 1dm6 h VAL 402 N 0.61 1.17 -0.31 0.00 2.07 -1.23 -1.49 116.25 117.06 1dm6 h VAL 402 Ca 0.33 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 1dm6 h VAL 402 Cb 0.31 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1dm6 h VAL 402 CO -0.24 0.18 -0.08 -0.33 0.02 0.00 0.00 177.57 177.11 1dm6 h GLU 403 N 0.67 0.52 -0.44 1.57 4.39 -1.12 -0.97 114.58 119.20 1dm6 h GLU 403 Ca 0.18 -0.14 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 1dm6 h GLU 403 Cb 0.03 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1dm6 h GLU 403 CO -0.03 0.60 -0.05 0.82 -1.16 0.00 0.00 179.01 179.20 1dm6 h ILE 404 N 0.48 1.27 -0.29 3.13 2.04 -0.79 0.87 117.51 124.23 1dm6 h ILE 404 Ca 0.09 -1.12 -0.08 0.00 1.00 0.00 0.00 64.86 64.75 1dm6 h ILE 404 Cb 0.44 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1dm6 h ILE 404 CO 0.02 0.38 -0.17 0.78 0.00 0.00 0.00 178.15 179.17 1dm6 h ASN 405 N 0.64 0.50 -0.54 1.72 4.21 -0.96 -1.19 115.58 119.97 1dm6 h ASN 405 Ca 0.12 -0.14 -0.09 0.00 1.21 0.00 0.00 56.30 57.40 1dm6 h ASN 405 Cb 0.56 -0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 37.60 1dm6 h ASN 405 CO 0.03 0.69 0.00 0.25 -1.29 0.00 0.00 177.43 177.11 1dm6 h LEU 406 N 0.46 0.96 -0.41 1.61 5.85 -0.76 -1.60 115.31 121.43 1dm6 h LEU 406 Ca 0.08 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 1dm6 h LEU 406 Cb 0.56 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1dm6 h LEU 406 CO 0.04 1.01 0.13 0.00 -0.34 0.00 0.00 178.44 179.28 1dm6 h ALA 407 N 1.08 0.53 -0.43 1.25 0.00 -0.21 0.60 119.26 122.09 1dm6 h ALA 407 Ca 0.17 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dm6 h ALA 407 Cb 0.53 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1dm6 h ALA 407 CO 0.03 0.17 0.26 0.28 0.00 0.00 0.00 179.25 179.99 1dm6 h VAL 408 N 0.51 1.14 -0.11 0.00 2.07 -1.01 0.73 116.25 119.58 1dm6 h VAL 408 Ca 0.13 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1dm6 h VAL 408 Cb 0.26 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1dm6 h VAL 408 CO -0.00 0.14 0.04 -0.07 0.02 0.00 0.00 177.57 177.70 1dm6 h LEU 409 N 0.56 0.15 0.03 2.57 3.38 -1.09 -1.55 115.31 119.36 1dm6 h LEU 409 Ca 0.15 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1dm6 h LEU 409 Cb -0.00 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1dm6 h LEU 409 CO -0.03 0.28 -0.25 -0.74 0.09 0.00 0.00 178.44 177.80 1dm6 h HIS 410 N 0.02 -0.66 -0.22 1.13 2.76 -0.68 -1.80 115.15 115.69 1dm6 h HIS 410 Ca 0.04 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.26 1dm6 h HIS 410 Cb 0.18 0.29 -0.03 0.00 1.55 0.00 0.00 27.41 29.40 1dm6 h HIS 410 CO -0.01 -0.34 0.02 0.77 -1.30 0.00 0.00 177.93 177.06 1dm6 h SER 411 N -0.40 -0.04 -0.65 3.26 0.02 -0.75 0.51 113.55 115.50 1dm6 h SER 411 Ca 0.05 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1dm6 h SER 411 Cb 0.47 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 1dm6 h SER 411 CO -0.20 0.01 0.26 -0.26 -1.14 0.00 0.00 176.83 175.49 1dm6 h PHE 412 N 0.10 1.01 -0.46 3.45 0.04 -1.18 0.66 116.94 120.55 1dm6 h PHE 412 Ca 0.10 -0.07 -0.13 0.00 2.80 0.00 0.00 57.97 60.67 1dm6 h PHE 412 Cb 0.11 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 37.95 1dm6 h PHE 412 CO -0.17 0.78 -0.24 1.96 -0.60 0.00 0.00 178.31 180.04 1dm6 h GLN 413 N 0.98 0.96 -0.54 1.51 4.20 -0.94 0.20 115.11 121.47 1dm6 h GLN 413 Ca 0.23 -0.42 -0.06 0.00 0.06 0.00 0.00 58.65 58.46 1dm6 h GLN 413 Cb 0.20 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1dm6 h GLN 413 CO -0.02 1.08 0.12 1.25 -0.67 0.00 0.00 178.83 180.59 1dm6 h LEU 414 N 0.82 0.83 0.00 1.46 5.85 -0.49 -2.22 115.31 121.56 1dm6 h LEU 414 Ca 0.10 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1dm6 h LEU 414 Cb 0.81 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1dm6 h LEU 414 CO 0.07 0.86 0.00 0.00 -0.34 0.00 0.00 178.44 179.03 1dm6 n ALA 415 N -2.40 2.55 -3.45 1.25 0.00 0.19 -4.90 120.51 113.74 1dm6 n ALA 415 Ca 0.02 -0.17 -0.19 0.00 0.00 0.00 0.00 53.44 53.09 1dm6 n ALA 415 Cb 0.24 -1.47 0.08 0.00 0.00 0.00 0.00 19.45 18.30 1dm6 n ALA 415 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1dm6 n LYS 416 N -1.05 -6.96 -4.93 0.00 4.76 -0.59 -4.98 118.16 104.41 1dm6 n LYS 416 Ca 0.20 0.80 -0.32 0.00 -2.87 0.00 0.00 58.31 56.12 1dm6 n LYS 416 Cb 0.12 -5.73 -0.16 0.00 -1.84 0.00 0.00 35.03 27.42 1dm6 n LYS 416 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1dm6 s VAL 417 N -3.33 2.34 0.17 -0.18 1.01 0.58 -4.42 120.40 116.58 1dm6 s VAL 417 Ca 0.27 -0.91 -0.33 0.00 0.00 0.00 0.00 61.98 61.01 1dm6 s VAL 417 Cb -0.12 -1.94 -0.15 0.00 0.00 0.00 0.00 36.38 34.18 1dm6 s VAL 417 CO 0.70 0.54 1.32 0.41 0.00 0.00 0.00 175.10 178.07 1dm6 n THR 418 N 3.70 0.62 -3.51 3.92 -1.04 -0.42 -4.39 114.28 113.15 1dm6 n THR 418 Ca -0.19 -0.15 -0.14 0.00 -2.04 0.00 0.00 64.05 61.52 1dm6 n THR 418 Cb 0.52 -1.11 -0.05 0.00 -1.82 0.00 0.00 70.33 67.88 1dm6 n THR 418 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1dm6 s ILE 419 N 0.12 0.00 -0.03 12.58 2.07 -1.26 -4.55 121.20 130.13 1dm6 s ILE 419 Ca 0.75 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 60.00 1dm6 s ILE 419 Cb -0.79 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 40.81 1dm6 s ILE 419 CO 0.49 0.00 -0.07 0.54 -1.91 0.00 0.00 174.94 173.99 1dm6 s VAL 420 N -1.89 0.64 0.73 4.00 0.11 -0.90 -4.98 120.40 118.11 1dm6 s VAL 420 Ca -0.05 -0.24 -0.11 0.00 -2.93 0.00 0.00 61.98 58.64 1dm6 s VAL 420 Cb -0.00 -0.60 0.03 0.00 -1.53 0.00 0.00 36.38 34.27 1dm6 s VAL 420 CO 0.02 0.22 1.09 1.51 -3.33 0.00 0.00 175.10 174.61 1dm6 s ASP 421 N 0.47 5.16 0.46 3.54 -4.77 -1.26 -0.44 116.67 119.83 1dm6 s ASP 421 Ca -0.07 1.23 0.22 0.00 -3.30 0.00 0.00 52.55 50.63 1dm6 s ASP 421 Cb -0.11 -2.03 1.10 0.00 -1.09 0.00 0.00 42.92 40.80 1dm6 s ASP 421 CO 0.00 -1.54 1.94 1.12 0.70 0.00 0.00 175.17 177.40 1dm6 h HIS 422 N -0.79 0.00 0.09 2.11 2.07 -1.97 -1.58 115.15 115.07 1dm6 h HIS 422 Ca -0.46 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.06 1dm6 h HIS 422 Cb 1.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.23 1dm6 h HIS 422 CO 0.50 0.22 -0.04 0.45 -3.07 0.00 0.00 177.93 176.00 1dm6 h HIS 423 N 0.00 -0.11 -0.13 6.12 3.86 -1.97 -1.80 115.15 121.13 1dm6 h HIS 423 Ca -0.00 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1dm6 h HIS 423 Cb 0.52 0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 1dm6 h HIS 423 CO 0.00 0.39 0.03 0.00 0.86 0.00 0.00 177.93 179.20 1dm6 h ALA 424 N 0.14 0.13 -0.39 2.45 0.00 -1.93 -1.39 119.26 118.27 1dm6 h ALA 424 Ca -0.01 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1dm6 h ALA 424 Cb 0.54 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1dm6 h ALA 424 CO 0.02 -0.42 0.04 0.00 0.00 0.00 0.00 179.25 178.88 1dm6 h ALA 425 N 1.09 0.39 -0.39 0.00 0.00 -1.34 -1.07 119.26 117.93 1dm6 h ALA 425 Ca 0.05 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1dm6 h ALA 425 Cb 0.04 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1dm6 h ALA 425 CO -0.07 -0.36 -0.20 1.79 0.00 0.00 0.00 179.25 180.41 1dm6 h THR 426 N 0.15 1.27 -0.61 0.00 1.35 -1.13 -1.65 112.91 112.29 1dm6 h THR 426 Ca 0.19 -1.29 -0.00 0.00 -0.55 0.00 0.00 66.41 64.76 1dm6 h THR 426 Cb 0.25 1.18 -0.03 0.00 -1.73 0.00 0.00 68.15 67.82 1dm6 h THR 426 CO -0.28 0.43 0.38 0.58 -0.25 0.00 0.00 175.52 176.38 1dm6 h VAL 427 N 0.66 1.17 -0.14 6.82 2.07 -0.68 -1.90 116.25 124.26 1dm6 h VAL 427 Ca 0.10 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 1dm6 h VAL 427 Cb 0.69 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1dm6 h VAL 427 CO 0.05 0.17 -0.23 0.77 0.02 0.00 0.00 177.57 178.35 1dm6 h SER 428 N 0.83 0.24 0.08 0.57 4.64 -0.96 -2.58 113.55 116.37 1dm6 h SER 428 Ca 0.22 -0.07 -0.11 0.00 -0.47 0.00 0.00 61.79 61.37 1dm6 h SER 428 Cb -0.05 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1dm6 h SER 428 CO -0.04 0.48 -0.36 0.15 -0.87 0.00 0.00 176.83 176.18 1dm6 h PHE 429 N 0.22 0.45 -0.69 4.77 3.57 -0.56 -1.38 116.94 123.31 1dm6 h PHE 429 Ca 0.04 -0.12 -0.05 0.00 3.53 0.00 0.00 57.97 61.37 1dm6 h PHE 429 Cb 0.54 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 1dm6 h PHE 429 CO 0.01 0.70 0.24 0.52 -2.23 0.00 0.00 178.31 177.55 1dm6 h MET 430 N 0.33 1.04 -0.57 1.11 2.86 -0.98 0.18 114.93 118.90 1dm6 h MET 430 Ca 0.04 -0.20 -0.09 0.00 -2.06 0.00 0.00 59.70 57.38 1dm6 h MET 430 Cb 0.79 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 1dm6 h MET 430 CO 0.06 0.88 -0.01 -0.22 1.06 0.00 0.00 176.91 178.68 1dm6 h LYS 431 N 1.01 1.02 -0.75 1.72 1.63 -1.29 -2.23 116.57 117.69 1dm6 h LYS 431 Ca 0.23 -0.33 -0.01 0.00 -0.85 0.00 0.00 60.65 59.68 1dm6 h LYS 431 Cb 0.25 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.76 1dm6 h LYS 431 CO -0.01 1.02 0.41 1.25 -3.45 0.00 0.00 179.45 178.67 1dm6 h HIS 432 N 0.91 1.03 -0.60 1.91 2.76 -0.46 0.15 115.15 120.85 1dm6 h HIS 432 Ca 0.16 -0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.33 1dm6 h HIS 432 Cb 0.56 -0.33 -0.04 0.00 1.55 0.00 0.00 27.41 29.16 1dm6 h HIS 432 CO 0.04 0.72 0.37 -0.07 -1.30 0.00 0.00 177.93 177.70 1dm6 h LEU 433 N 1.04 0.62 -0.39 0.26 3.38 -0.37 0.13 115.31 119.98 1dm6 h LEU 433 Ca 0.26 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 1dm6 h LEU 433 Cb 0.03 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1dm6 h LEU 433 CO -0.04 0.44 0.06 -0.78 0.09 0.00 0.00 178.44 178.21 1dm6 h ASP 434 N 0.74 0.63 -0.96 -0.43 1.82 -0.88 0.64 116.42 117.98 1dm6 h ASP 434 Ca 0.24 -0.26 0.02 0.00 -0.39 0.00 0.00 57.03 56.63 1dm6 h ASP 434 Cb -0.01 -0.17 -0.05 0.00 0.68 0.00 0.00 39.33 39.79 1dm6 h ASP 434 CO -0.09 0.73 0.63 0.78 -1.61 0.00 0.00 179.24 179.68 1dm6 h ASN 435 N 0.50 1.08 0.63 2.28 2.35 -0.18 -2.48 115.58 119.76 1dm6 h ASN 435 Ca 0.12 -0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.68 1dm6 h ASN 435 Cb 0.37 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1dm6 h ASN 435 CO 0.01 0.77 -0.75 -0.33 -1.65 0.00 0.00 177.43 175.48 1dm6 h GLU 436 N 1.27 0.09 -0.50 0.81 4.39 -0.49 -1.62 114.58 118.52 1dm6 h GLU 436 Ca 0.36 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.98 1dm6 h GLU 436 Cb -0.10 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 1dm6 h GLU 436 CO -0.09 0.79 0.30 0.37 -1.16 0.00 0.00 179.01 179.22 1dm6 h GLN 437 N 0.06 0.69 -0.17 2.33 5.75 -0.43 0.40 115.11 123.73 1dm6 h GLN 437 Ca -0.02 -0.07 -0.16 0.00 -0.15 0.00 0.00 58.65 58.25 1dm6 h GLN 437 Cb 1.32 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.73 1dm6 h GLN 437 CO 0.10 0.51 -0.54 0.87 -2.65 0.00 0.00 178.83 177.12 1dm6 h LYS 438 N 0.67 0.67 0.11 1.69 1.57 -1.46 -0.06 116.57 119.75 1dm6 h LYS 438 Ca 0.18 -0.49 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 1dm6 h LYS 438 Cb 0.00 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1dm6 h LYS 438 CO -0.03 1.11 -0.05 0.00 -0.57 0.00 0.00 179.45 179.90 1dm6 h ALA 439 N 0.56 -0.14 -0.00 3.86 0.00 -1.14 -3.39 119.26 119.00 1dm6 h ALA 439 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1dm6 h ALA 439 Cb 1.16 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1dm6 h ALA 439 CO 0.11 -0.37 -0.01 0.54 0.00 0.00 0.00 179.25 179.52 1dm6 n ARG 440 N -4.96 1.33 -1.06 0.00 1.74 0.10 -5.02 116.66 108.79 1dm6 n ARG 440 Ca -0.09 -0.38 0.00 0.00 -0.77 0.00 0.00 57.85 56.62 1dm6 n ARG 440 Cb 0.23 -0.87 0.00 0.00 -1.02 0.00 0.00 32.46 30.81 1dm6 n ARG 440 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dm6 n GLY 441 N 0.32 0.54 0.00 -0.13 0.00 -0.03 -4.30 105.19 101.59 1dm6 n GLY 441 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1dm6 n GLY 441 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dm6 n GLY 442 N -2.29 -0.12 3.31 -0.02 0.00 -1.19 -1.26 105.19 103.62 1dm6 n GLY 442 Ca 0.00 -1.35 0.01 0.00 0.00 0.00 0.00 46.02 44.67 1dm6 n GLY 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dm6 s PRO 444 N 2.84 4.19 -0.10 0.00 0.04 -1.26 -4.57 135.00 136.15 1dm6 s PRO 444 Ca 0.10 2.38 -0.11 0.00 0.04 0.00 0.00 61.00 63.40 1dm6 s PRO 444 Cb -0.14 -3.46 0.03 0.00 0.04 0.00 0.00 34.50 30.97 1dm6 s PRO 444 CO -0.19 -0.71 0.30 0.00 0.04 0.00 0.00 177.00 176.43 1dm6 s ALA 445 N 2.19 -0.74 -0.50 8.56 0.00 -0.40 -4.20 121.76 126.67 1dm6 s ALA 445 Ca 0.74 0.76 -0.08 0.00 0.00 0.00 0.00 51.96 53.37 1dm6 s ALA 445 Cb -0.42 -0.41 0.13 0.00 0.00 0.00 0.00 23.12 22.42 1dm6 s ALA 445 CO 0.32 -0.16 0.36 0.34 0.00 0.00 0.00 175.76 176.62 1dm6 s ASP 446 N -0.08 5.65 0.26 0.00 3.68 0.22 -3.67 116.67 122.73 1dm6 s ASP 446 Ca -0.02 -2.07 -0.09 0.00 2.13 0.00 0.00 52.55 52.50 1dm6 s ASP 446 Cb -0.03 -1.98 0.42 0.00 -1.45 0.00 0.00 42.92 39.88 1dm6 s ASP 446 CO 0.01 -0.63 1.58 -0.25 0.13 0.00 0.00 175.17 176.01 1dm6 h TRP 447 N 8.21 -0.41 -0.28 -5.34 7.01 -1.92 0.40 115.95 123.62 1dm6 h TRP 447 Ca -0.16 0.08 0.06 0.00 2.11 0.00 0.00 58.89 60.98 1dm6 h TRP 447 Cb 1.05 0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 28.42 1dm6 h TRP 447 CO 0.65 -0.37 0.19 0.00 -2.79 0.00 0.00 178.44 176.12 1dm6 h ALA 448 N 1.88 2.14 0.01 2.65 0.00 -1.93 -1.54 119.26 122.46 1dm6 h ALA 448 Ca 0.43 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 55.00 1dm6 h ALA 448 Cb 0.69 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1dm6 h ALA 448 CO -0.89 -0.21 -2.09 0.91 0.00 0.00 0.00 179.25 176.96 1dm6 n TRP 449 N -4.47 0.49 -0.01 0.00 7.02 -0.06 -4.31 117.44 116.09 1dm6 n TRP 449 Ca 0.03 0.17 -0.09 0.00 -1.02 0.00 0.00 57.50 56.59 1dm6 n TRP 449 Cb 0.29 -1.09 0.07 0.00 -2.42 0.00 0.00 31.31 28.16 1dm6 n TRP 449 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1dm6 h ILE 450 N 0.00 1.31 -3.26 -0.99 1.08 -0.78 -3.42 117.51 111.44 1dm6 h ILE 450 Ca -0.44 -1.68 -0.53 0.00 -0.39 0.00 0.00 64.86 61.83 1dm6 h ILE 450 Cb 2.12 1.64 0.00 0.00 -3.07 0.00 0.00 36.82 37.51 1dm6 h ILE 450 CO 0.05 0.53 0.55 -0.69 -0.69 0.00 0.00 178.15 177.89 1dm6 s VAL 451 N -4.14 3.97 0.77 1.67 1.01 -0.60 -4.93 120.40 118.15 1dm6 s VAL 451 Ca -0.08 1.47 -0.13 0.00 0.00 0.00 0.00 61.98 63.24 1dm6 s VAL 451 Cb 0.12 -3.94 0.06 0.00 0.00 0.00 0.00 36.38 32.62 1dm6 s VAL 451 CO 0.84 0.14 1.14 -2.16 0.00 0.00 0.00 175.10 175.06 1dm6 s PRO 452 N 0.77 2.05 0.11 2.72 0.04 -1.26 -4.92 135.00 134.51 1dm6 s PRO 452 Ca 0.57 1.47 0.15 0.00 0.04 0.00 0.00 61.00 63.22 1dm6 s PRO 452 Cb -0.30 -1.85 0.65 0.00 0.04 0.00 0.00 34.50 33.04 1dm6 s PRO 452 CO 0.31 -1.85 1.45 -0.35 0.04 0.00 0.00 177.00 176.60 1dm6 n PRO 453 N -3.23 0.07 -4.03 0.56 -0.04 -1.26 -4.24 135.00 122.82 1dm6 n PRO 453 Ca 0.11 0.41 -0.10 0.00 -0.04 0.00 0.00 63.50 63.88 1dm6 n PRO 453 Cb 0.52 -1.66 -0.11 0.00 -0.04 0.00 0.00 33.50 32.21 1dm6 n PRO 453 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1dm6 s ILE 454 N -3.16 0.29 -1.43 0.52 -4.36 -1.26 -4.89 121.20 106.91 1dm6 s ILE 454 Ca 0.03 -1.17 -0.06 0.00 -0.26 0.00 0.00 60.65 59.19 1dm6 s ILE 454 Cb 0.07 -0.66 0.03 0.00 1.25 0.00 0.00 42.46 43.15 1dm6 s ILE 454 CO 0.23 -0.57 0.49 -1.20 0.24 0.00 0.00 174.94 174.13 1dm6 n SER 455 N 1.21 -5.09 -0.15 4.36 7.64 -1.26 -4.92 113.62 115.41 1dm6 n SER 455 Ca -0.21 -0.27 -0.06 0.00 1.01 0.00 0.00 58.87 59.33 1dm6 n SER 455 Cb 0.56 -4.16 -0.05 0.00 -1.01 0.00 0.00 64.21 59.55 1dm6 n SER 455 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1dm6 h GLY 456 N -1.07 -1.64 1.87 0.23 0.00 -1.90 -0.93 103.07 99.63 1dm6 h GLY 456 Ca -0.48 0.89 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1dm6 h GLY 456 CO 0.54 -0.46 0.00 -1.14 0.00 0.00 0.00 176.54 175.48 1dm6 n SER 457 N -4.11 0.00 -0.01 0.19 3.41 -1.26 -1.60 113.62 110.25 1dm6 n SER 457 Ca -0.00 0.38 0.15 0.00 -0.26 0.00 0.00 58.87 59.13 1dm6 n SER 457 Cb 0.15 -0.43 0.73 0.00 -0.26 0.00 0.00 64.21 64.40 1dm6 n SER 457 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1dm6 n LEU 458 N -1.43 0.04 -4.66 1.04 4.77 -0.36 -4.78 117.00 111.62 1dm6 n LEU 458 Ca 0.04 0.29 -0.29 0.00 -0.03 0.00 0.00 56.01 56.01 1dm6 n LEU 458 Cb 0.13 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 40.84 1dm6 n LEU 458 CO 0.11 0.01 -0.35 0.42 -1.33 0.00 0.00 177.39 176.25 1dm6 s THR 459 N -2.62 3.84 0.46 -5.08 -4.23 -0.63 -5.04 115.64 102.35 1dm6 s THR 459 Ca 0.27 -1.12 0.15 0.00 -1.18 0.00 0.00 61.69 59.82 1dm6 s THR 459 Cb 0.20 -2.84 0.20 0.00 1.34 0.00 0.00 72.50 71.41 1dm6 s THR 459 CO 0.47 0.08 2.03 1.55 -0.54 0.00 0.00 174.62 178.21 1dm6 h PRO 460 N 3.35 0.00 0.00 3.99 0.13 -1.86 -2.93 132.00 134.68 1dm6 h PRO 460 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 1dm6 h PRO 460 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1dm6 h PRO 460 CO 0.58 0.14 -0.15 -0.39 -0.23 0.00 0.00 178.00 177.95 1dm6 h VAL 461 N 0.00 0.73 -0.65 1.56 -1.51 -1.89 -2.59 116.25 111.90 1dm6 h VAL 461 Ca -0.00 -0.62 -0.01 0.00 -1.23 0.00 0.00 66.70 64.84 1dm6 h VAL 461 Cb 0.26 1.38 -0.03 0.00 -2.13 0.00 0.00 31.29 30.76 1dm6 h VAL 461 CO 0.02 0.15 0.35 0.15 -1.23 0.00 0.00 177.57 177.01 1dm6 h PHE 462 N 0.00 0.87 -0.31 5.19 3.57 -1.72 -2.63 116.94 121.90 1dm6 h PHE 462 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1dm6 h PHE 462 Cb 0.36 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1dm6 h PHE 462 CO 0.00 0.61 0.00 0.72 -2.23 0.00 0.00 178.31 177.41 1dm6 n HIS 463 N -4.38 0.40 -3.77 0.41 8.25 -0.98 -4.84 115.22 110.32 1dm6 n HIS 463 Ca 0.06 -0.20 -0.36 0.00 -0.26 0.00 0.00 57.72 56.96 1dm6 n HIS 463 Cb 0.10 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.09 1dm6 n HIS 463 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1dm6 s GLN 464 N -1.60 3.71 0.52 -0.41 2.00 -0.99 -0.17 119.66 122.71 1dm6 s GLN 464 Ca 0.32 -0.45 -0.20 0.00 -2.00 0.00 0.00 55.36 53.03 1dm6 s GLN 464 Cb 0.17 -3.34 -0.07 0.00 0.80 0.00 0.00 33.01 30.57 1dm6 s GLN 464 CO 0.24 -0.14 1.09 -1.21 -0.50 0.00 0.00 175.29 174.77 1dm6 s GLU 465 N 1.51 3.56 0.08 1.67 2.02 -0.68 -4.98 118.70 121.87 1dm6 s GLU 465 Ca 0.06 1.51 0.02 0.00 0.02 0.00 0.00 54.97 56.58 1dm6 s GLU 465 Cb -0.15 -2.05 -0.03 0.00 0.10 0.00 0.00 34.13 32.00 1dm6 s GLU 465 CO 0.04 -0.66 -0.08 -1.64 0.02 0.00 0.00 175.26 172.94 1dm6 s MET 466 N -3.25 0.72 -0.14 1.61 -1.94 -1.26 -4.76 119.30 110.28 1dm6 s MET 466 Ca 0.70 -1.07 0.00 0.00 -1.71 0.00 0.00 55.69 53.62 1dm6 s MET 466 Cb -0.21 -0.32 -0.01 0.00 2.01 0.00 0.00 34.83 36.31 1dm6 s MET 466 CO 0.24 0.03 -0.15 0.08 -0.01 0.00 0.00 175.02 175.21 1dm6 s VAL 467 N -2.48 2.78 -0.12 -6.03 1.01 -1.26 -4.94 120.40 109.37 1dm6 s VAL 467 Ca 0.02 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 1dm6 s VAL 467 Cb -0.03 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 1dm6 s VAL 467 CO -0.02 0.52 -0.11 0.21 0.00 0.00 0.00 175.10 175.70 1dm6 s ASN 468 N 0.57 4.18 0.16 3.32 2.47 -1.24 -1.28 114.94 123.13 1dm6 s ASN 468 Ca -0.09 -0.26 -0.24 0.00 0.42 0.00 0.00 52.86 52.69 1dm6 s ASN 468 Cb -0.16 -1.51 0.06 0.00 -1.45 0.00 0.00 41.25 38.20 1dm6 s ASN 468 CO 0.04 0.20 0.75 -0.72 -3.72 0.00 0.00 177.10 173.65 1dm6 s TYR 469 N 0.13 -0.33 -0.25 0.43 -0.85 -1.26 -4.96 117.35 110.25 1dm6 s TYR 469 Ca -0.05 0.04 -0.12 0.00 -0.52 0.00 0.00 57.07 56.42 1dm6 s TYR 469 Cb -0.15 0.61 -0.05 0.00 0.38 0.00 0.00 41.96 42.76 1dm6 s TYR 469 CO 0.04 -0.90 0.24 0.42 -1.52 0.00 0.00 175.55 173.83 1dm6 s ILE 470 N -3.60 5.29 0.17 -3.49 1.01 -1.26 -4.84 121.20 114.47 1dm6 s ILE 470 Ca 0.07 0.32 0.09 0.00 0.00 0.00 0.00 60.65 61.12 1dm6 s ILE 470 Cb -0.03 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 1dm6 s ILE 470 CO -0.04 0.27 -0.11 -0.76 0.00 0.00 0.00 174.94 174.30 1dm6 s LEU 471 N 1.52 2.94 0.02 2.97 1.43 -1.26 -4.12 118.68 122.17 1dm6 s LEU 471 Ca 0.10 -0.56 0.07 0.00 -1.03 0.00 0.00 54.13 52.71 1dm6 s LEU 471 Cb -0.15 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 1dm6 s LEU 471 CO 0.08 0.12 -0.22 -0.55 0.23 0.00 0.00 176.35 176.01 1dm6 s SER 472 N -2.70 2.57 0.50 2.29 0.15 -1.26 -4.08 113.70 111.18 1dm6 s SER 472 Ca 0.24 -0.48 -0.21 0.00 0.70 0.00 0.00 55.95 56.20 1dm6 s SER 472 Cb -0.09 -0.25 -0.08 0.00 -1.71 0.00 0.00 66.02 63.89 1dm6 s SER 472 CO 0.14 0.21 0.95 -2.65 1.20 0.00 0.00 173.24 173.10 1dm6 n PRO 473 N 2.12 1.12 -3.81 5.44 -0.02 -1.26 -5.00 135.00 133.59 1dm6 n PRO 473 Ca -0.16 0.41 -0.10 0.00 -2.02 0.00 0.00 63.50 61.63 1dm6 n PRO 473 Cb 0.53 -2.07 -0.07 0.00 -0.02 0.00 0.00 33.50 31.87 1dm6 n PRO 473 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dm6 s ALA 474 N -1.41 -0.42 -0.07 3.55 0.00 -0.78 -3.83 121.76 118.80 1dm6 s ALA 474 Ca 0.68 -0.36 -0.05 0.00 0.00 0.00 0.00 51.96 52.23 1dm6 s ALA 474 Cb -0.49 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 1dm6 s ALA 474 CO 0.53 -0.47 0.15 -0.06 0.00 0.00 0.00 175.76 175.91 1dm6 s PHE 475 N -3.32 3.56 0.10 0.00 0.40 -1.26 -1.06 117.98 116.41 1dm6 s PHE 475 Ca 0.01 0.44 -0.08 0.00 -0.60 0.00 0.00 56.93 56.70 1dm6 s PHE 475 Cb 0.02 -1.88 -0.01 0.00 0.51 0.00 0.00 43.02 41.66 1dm6 s PHE 475 CO -0.08 0.69 0.18 1.03 0.70 0.00 0.00 175.22 177.74 1dm6 s ARG 476 N -1.45 0.90 0.47 0.44 0.52 0.39 -4.96 118.95 115.25 1dm6 s ARG 476 Ca 0.21 -1.06 -0.13 0.00 -0.52 0.00 0.00 55.73 54.24 1dm6 s ARG 476 Cb -0.12 0.33 -0.07 0.00 0.52 0.00 0.00 34.95 35.61 1dm6 s ARG 476 CO 0.11 -0.29 0.87 0.71 0.02 0.00 0.00 175.30 176.73 1dm6 s TYR 477 N -3.90 3.48 0.06 -0.53 1.51 -1.26 0.39 117.35 117.10 1dm6 s TYR 477 Ca 0.09 1.22 -0.03 0.00 -1.01 0.00 0.00 57.07 57.33 1dm6 s TYR 477 Cb 0.05 -2.59 -0.03 0.00 -0.11 0.00 0.00 41.96 39.28 1dm6 s TYR 477 CO -0.08 -0.26 0.04 1.14 -1.11 0.00 0.00 175.55 175.28 1dm6 s GLN 478 N -4.09 0.66 0.65 -0.62 -2.07 -1.26 -4.29 119.66 108.63 1dm6 s GLN 478 Ca 0.54 -1.08 -0.18 0.00 -1.82 0.00 0.00 55.36 52.82 1dm6 s GLN 478 Cb -0.10 0.24 -0.02 0.00 -1.09 0.00 0.00 33.01 32.04 1dm6 s GLN 478 CO 0.34 -0.15 1.14 -2.30 -1.32 0.00 0.00 175.29 172.99 1dm6 n PRO 479 N 0.18 0.93 -2.42 9.60 -0.02 -1.26 -4.93 135.00 137.08 1dm6 n PRO 479 Ca -0.15 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.28 1dm6 n PRO 479 Cb 0.61 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 1dm6 n PRO 479 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1dm6 s ASP 480 N -1.39 7.08 0.00 2.55 -0.00 -1.26 -4.89 116.67 118.76 1dm6 s ASP 480 Ca 0.79 2.03 0.00 0.00 -0.00 0.00 0.00 52.55 55.38 1dm6 s ASP 480 Cb -0.38 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 39.95 1dm6 s ASP 480 CO 0.44 -0.46 0.00 -0.81 -0.00 0.00 0.00 175.17 174.33 1dm6 n PRO 481 N 3.82 0.00 0.00 8.23 -0.04 -1.26 -5.24 135.00 140.51 1dm6 n PRO 481 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1dm6 n PRO 481 Cb 0.46 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 1dm6 n PRO 481 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79