#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s48 s ILE 93 N 0.00 4.55 0.69 1.34 -4.36 -1.26 -5.09 121.20 117.08 1s48 s ILE 93 Ca 0.00 -0.91 -0.17 0.00 -0.26 0.00 0.00 60.65 59.31 1s48 s ILE 93 Cb 0.00 -3.26 0.00 0.00 1.25 0.00 0.00 42.46 40.45 1s48 s ILE 93 CO 0.00 0.00 1.15 0.54 0.24 0.00 0.00 174.94 176.87 1s48 n ARG 94 N 0.03 0.77 0.27 0.37 1.74 -1.26 -4.84 116.66 113.73 1s48 n ARG 94 Ca -0.08 0.32 -0.17 0.00 -0.77 0.00 0.00 57.85 57.15 1s48 n ARG 94 Cb 0.53 -2.39 -0.08 0.00 -1.02 0.00 0.00 32.46 29.50 1s48 n ARG 94 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1s48 h GLU 95 N 0.07 -0.83 0.00 5.56 4.39 -2.01 -1.74 114.58 120.01 1s48 h GLU 95 Ca -0.49 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.27 1s48 h GLU 95 Cb 1.34 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 30.17 1s48 h GLU 95 CO 0.50 -0.55 0.00 -2.39 -1.16 0.00 0.00 179.01 175.40 1s48 n HIS 96 N -5.51 0.00 0.29 4.33 1.44 -1.26 -0.74 115.22 113.77 1s48 n HIS 96 Ca -0.11 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.63 1s48 n HIS 96 Cb 0.40 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.50 1s48 n HIS 96 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1s48 n ASN 97 N -0.85 0.71 0.21 4.39 3.02 -0.67 -4.65 115.26 117.42 1s48 n ASN 97 Ca 0.00 -0.85 0.09 0.00 -0.03 0.00 0.00 54.58 53.79 1s48 n ASN 97 Cb 0.00 0.67 0.39 0.00 -0.61 0.00 0.00 39.78 40.23 1s48 n ASN 97 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1s48 h LYS 98 N 0.44 0.00 -0.94 3.52 1.57 -0.78 -3.18 116.57 117.21 1s48 h LYS 98 Ca 0.00 0.00 0.22 0.00 -1.87 0.00 0.00 60.65 59.00 1s48 h LYS 98 Cb 0.19 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.43 1s48 h LYS 98 CO 0.00 0.25 0.62 0.11 -0.57 0.00 0.00 179.45 179.87 1s48 h TRP 99 N 0.00 0.50 -0.93 -1.35 5.08 -1.83 0.84 115.95 118.26 1s48 h TRP 99 Ca -0.00 0.02 0.11 0.00 1.08 0.00 0.00 58.89 60.10 1s48 h TRP 99 Cb 0.84 -0.15 -0.08 0.00 -3.00 0.00 0.00 29.16 26.77 1s48 h TRP 99 CO 0.00 0.11 0.56 0.97 -1.28 0.00 0.00 178.44 178.80 1s48 h ILE 100 N 0.36 0.90 -0.86 0.12 6.09 -1.91 -1.80 117.51 120.41 1s48 h ILE 100 Ca 0.49 -0.31 0.20 0.00 -1.37 0.00 0.00 64.86 63.87 1s48 h ILE 100 Cb 1.31 -0.07 -0.06 0.00 0.47 0.00 0.00 36.82 38.47 1s48 h ILE 100 CO -0.18 0.16 0.58 -0.07 -3.07 0.00 0.00 178.15 175.57 1s48 h LEU 101 N 0.90 0.36 -1.11 2.19 3.38 -1.05 0.23 115.31 120.21 1s48 h LEU 101 Ca 0.46 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.46 1s48 h LEU 101 Cb 0.45 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1s48 h LEU 101 CO -0.26 0.15 0.10 0.29 0.09 0.00 0.00 178.44 178.81 1s48 n LYS 102 N -4.48 0.11 0.00 1.13 5.02 -0.68 -2.02 118.16 117.24 1s48 n LYS 102 Ca 0.18 0.60 0.07 0.00 -2.02 0.00 0.00 58.31 57.13 1s48 n LYS 102 Cb 0.68 -1.96 -0.08 0.00 -0.02 0.00 0.00 35.03 33.65 1s48 n LYS 102 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1s48 n LYS 103 N -2.11 2.20 -1.88 1.97 5.02 0.07 -4.98 118.16 118.45 1s48 n LYS 103 Ca -0.01 -0.03 -0.40 0.00 -2.02 0.00 0.00 58.31 55.85 1s48 n LYS 103 Cb 0.13 -1.19 0.01 0.00 -0.02 0.00 0.00 35.03 33.96 1s48 n LYS 103 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1s48 s ILE 104 N -2.35 2.25 0.00 -0.18 1.09 -0.86 -4.40 121.20 116.75 1s48 s ILE 104 Ca 0.06 0.22 0.00 0.00 -1.10 0.00 0.00 60.65 59.83 1s48 s ILE 104 Cb 0.11 -3.13 0.00 0.00 -1.06 0.00 0.00 42.46 38.38 1s48 s ILE 104 CO 0.59 0.03 0.02 0.54 -0.10 0.00 0.00 174.94 176.01 1s48 n ARG 105 N -0.12 1.59 -3.87 2.79 5.12 -0.68 -4.98 116.66 116.51 1s48 n ARG 105 Ca 0.05 -0.02 -0.10 0.00 -1.93 0.00 0.00 57.85 55.85 1s48 n ARG 105 Cb 0.42 -0.19 -0.08 0.00 -1.16 0.00 0.00 32.46 31.45 1s48 n ARG 105 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1s48 s PHE 106 N -0.23 0.11 0.68 -1.55 0.40 -1.16 -5.00 117.98 111.24 1s48 s PHE 106 Ca 0.00 -0.41 -0.16 0.00 -0.60 0.00 0.00 56.93 55.76 1s48 s PHE 106 Cb 0.00 -0.06 0.01 0.00 0.51 0.00 0.00 43.02 43.48 1s48 s PHE 106 CO 0.00 -0.45 1.20 -1.14 0.70 0.00 0.00 175.22 175.53 1s48 s GLN 107 N -2.97 2.44 0.48 0.44 0.74 -1.26 -0.77 119.66 118.76 1s48 s GLN 107 Ca -0.02 1.74 -0.20 0.00 0.05 0.00 0.00 55.36 56.93 1s48 s GLN 107 Cb 0.01 -1.87 -0.09 0.00 1.10 0.00 0.00 33.01 32.16 1s48 s GLN 107 CO -0.06 -1.60 1.00 0.20 -0.55 0.00 0.00 175.29 174.28 1s48 s GLY 108 N -1.98 2.39 0.00 2.59 0.00 -1.26 -3.83 107.32 105.24 1s48 s GLY 108 Ca 0.74 0.47 0.02 0.00 0.00 0.00 0.00 44.72 45.96 1s48 s GLY 108 CO 0.42 0.77 0.12 -2.01 0.00 0.00 0.00 173.10 172.40 1s48 n ASN 109 N -0.98 0.15 0.11 1.64 2.85 -1.26 -4.71 115.26 113.07 1s48 n ASN 109 Ca 0.08 -0.58 0.19 0.00 -0.11 0.00 0.00 54.58 54.16 1s48 n ASN 109 Cb 0.53 0.96 0.76 0.00 1.24 0.00 0.00 39.78 43.28 1s48 n ASN 109 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1s48 h LEU 110 N 0.02 0.00 -1.55 1.20 3.38 -1.94 -3.45 115.31 112.97 1s48 h LEU 110 Ca 0.00 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 1s48 h LEU 110 Cb 0.06 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.83 1s48 h LEU 110 CO 0.00 0.00 -0.81 0.59 0.09 0.00 0.00 178.44 178.31 1s48 n ASN 111 N -3.92 -2.17 -4.78 -0.43 3.02 -1.26 -4.94 115.26 100.78 1s48 n ASN 111 Ca 0.06 -0.82 -0.37 0.00 -0.03 0.00 0.00 54.58 53.41 1s48 n ASN 111 Cb 0.50 -3.92 -0.05 0.00 -0.61 0.00 0.00 39.78 35.70 1s48 n ASN 111 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1s48 s THR 112 N -3.59 3.87 -0.36 3.41 -4.23 -1.26 -5.00 115.64 108.49 1s48 s THR 112 Ca 0.20 1.56 0.10 0.00 -1.18 0.00 0.00 61.69 62.38 1s48 s THR 112 Cb -0.10 -3.87 -0.12 0.00 1.34 0.00 0.00 72.50 69.74 1s48 s THR 112 CO 0.82 0.14 0.38 0.29 -0.54 0.00 0.00 174.62 175.71 1s48 n LYS 113 N 0.43 2.83 -2.70 3.99 5.02 -1.26 -4.88 118.16 121.58 1s48 n LYS 113 Ca 0.03 -0.02 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1s48 n LYS 113 Cb 0.49 -1.04 0.02 0.00 -0.02 0.00 0.00 35.03 34.48 1s48 n LYS 113 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1s48 n LYS 114 N -1.39 1.24 -4.74 1.97 5.02 -1.26 -5.19 118.16 113.81 1s48 n LYS 114 Ca 0.01 -3.33 -0.33 0.00 -2.02 0.00 0.00 58.31 52.64 1s48 n LYS 114 Cb 0.19 -1.33 -0.14 0.00 -0.02 0.00 0.00 35.03 33.72 1s48 n LYS 114 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1s48 s LEU 116 N -3.07 2.80 -0.65 -0.35 2.96 -1.26 -5.27 118.68 113.83 1s48 s LEU 116 Ca 0.29 -0.28 0.05 0.00 -0.22 0.00 0.00 54.13 53.97 1s48 s LEU 116 Cb 0.45 -1.63 0.17 0.00 0.50 0.00 0.00 46.19 45.67 1s48 s LEU 116 CO 0.02 0.19 0.45 0.21 -1.32 0.00 0.00 176.35 175.90 1s48 s ASN 117 N 0.22 4.33 0.13 3.68 2.47 -1.26 -5.01 114.94 119.50 1s48 s ASN 117 Ca -0.07 -3.66 -0.32 0.00 0.42 0.00 0.00 52.86 49.22 1s48 s ASN 117 Cb -0.15 -1.47 -0.11 0.00 -1.45 0.00 0.00 41.25 38.07 1s48 s ASN 117 CO 0.05 -0.11 1.53 -0.65 -3.72 0.00 0.00 177.10 174.20 1s48 h PRO 118 N 5.55 -0.37 0.00 0.43 0.11 -1.99 -3.40 132.00 132.33 1s48 h PRO 118 Ca 0.14 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1s48 h PRO 118 Cb 0.79 0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1s48 h PRO 118 CO 0.67 -0.25 0.00 0.41 -0.21 0.00 0.00 178.00 178.62 1s48 n GLY 119 N -1.36 -1.16 3.95 -0.55 0.00 -1.26 -4.05 105.19 100.75 1s48 n GLY 119 Ca -0.03 -0.95 -0.24 0.00 0.00 0.00 0.00 46.02 44.79 1s48 n GLY 119 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s48 s LYS 120 N -1.40 3.45 0.44 1.61 2.20 0.05 -4.71 119.74 121.38 1s48 s LYS 120 Ca 0.00 -0.63 0.01 0.00 -0.36 0.00 0.00 55.97 54.99 1s48 s LYS 120 Cb 0.00 -2.93 -0.00 0.00 -1.51 0.00 0.00 37.83 33.39 1s48 s LYS 120 CO 0.00 0.48 0.64 -0.51 -0.36 0.00 0.00 175.35 175.60 1s48 s LEU 121 N -3.51 3.68 0.49 5.43 1.43 -1.26 -1.69 118.68 123.25 1s48 s LEU 121 Ca 0.35 0.19 0.31 0.00 -1.03 0.00 0.00 54.13 53.94 1s48 s LEU 121 Cb -0.10 -3.07 1.22 0.00 0.03 0.00 0.00 46.19 44.26 1s48 s LEU 121 CO 0.29 -0.69 1.91 0.77 0.23 0.00 0.00 176.35 178.86 1s48 h SER 122 N 0.46 0.00 -1.35 2.29 4.64 -1.94 -3.46 113.55 114.18 1s48 h SER 122 Ca -0.46 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.28 1s48 h SER 122 Cb 1.26 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.26 1s48 h SER 122 CO 0.56 0.00 -0.48 -1.61 -0.87 0.00 0.00 176.83 174.43 1s48 s GLU 123 N -3.57 2.21 0.27 4.77 2.02 -1.26 -3.39 118.70 119.75 1s48 s GLU 123 Ca 0.02 -1.94 0.06 0.00 0.02 0.00 0.00 54.97 53.14 1s48 s GLU 123 Cb 0.09 -1.93 -0.02 0.00 0.10 0.00 0.00 34.13 32.36 1s48 s GLU 123 CO 0.53 -0.20 0.22 1.04 0.02 0.00 0.00 175.26 176.87 1s48 n GLN 124 N -1.29 0.35 -4.21 1.61 6.02 -0.18 -4.91 117.38 114.78 1s48 n GLN 124 Ca -0.03 -2.66 -0.34 0.00 -0.01 0.00 0.00 57.00 53.95 1s48 n GLN 124 Cb 0.65 2.13 -0.14 0.00 1.02 0.00 0.00 30.24 33.90 1s48 n GLN 124 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1s48 s LEU 125 N 0.00 2.90 1.02 1.08 1.02 -1.26 -2.32 118.68 121.12 1s48 s LEU 125 Ca 0.31 -0.33 -0.16 0.00 0.02 0.00 0.00 54.13 53.96 1s48 s LEU 125 Cb 0.01 -1.71 0.04 0.00 0.02 0.00 0.00 46.19 44.55 1s48 s LEU 125 CO 0.22 0.06 0.09 -0.67 0.02 0.00 0.00 176.35 176.07 1s48 n ASP 126 N 4.25 -2.52 0.14 2.29 -0.08 1.45 -4.78 116.55 117.30 1s48 n ASP 126 Ca -0.18 0.14 0.13 0.00 -1.51 0.00 0.00 54.79 53.37 1s48 n ASP 126 Cb 0.52 -1.05 0.49 0.00 2.34 0.00 0.00 41.12 43.42 1s48 n ASP 126 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 1s48 h ARG 127 N -1.68 0.00 -0.29 -0.67 0.11 -1.99 -1.95 114.38 107.90 1s48 h ARG 127 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 1s48 h ARG 127 Cb 1.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.40 1s48 h ARG 127 CO 0.34 0.00 0.00 -1.91 0.10 0.00 0.00 179.97 178.50 1s48 n GLU 128 N -2.33 2.87 0.00 0.08 4.07 -1.26 -4.98 120.64 119.09 1s48 n GLU 128 Ca 0.02 -2.33 0.00 0.00 -0.06 0.00 0.00 57.16 54.80 1s48 n GLU 128 Cb 0.27 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 30.17 1s48 n GLU 128 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1s48 n GLY 129 N 0.06 3.18 3.56 8.31 0.00 -0.73 -5.07 105.19 114.50 1s48 n GLY 129 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1s48 n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s48 n ARG 130 N -0.77 -0.96 -3.76 1.61 5.12 -1.26 -4.24 116.66 112.41 1s48 n ARG 130 Ca 0.00 -0.23 -0.34 0.00 -1.93 0.00 0.00 57.85 55.35 1s48 n ARG 130 Cb 0.00 -2.20 -0.10 0.00 -1.16 0.00 0.00 32.46 29.00 1s48 n ARG 130 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1s48 s LYS 131 N -4.34 2.67 0.46 5.56 2.20 -1.26 0.43 119.74 125.47 1s48 s LYS 131 Ca 0.65 -2.91 0.04 0.00 -0.36 0.00 0.00 55.97 53.39 1s48 s LYS 131 Cb -0.23 -3.69 0.01 0.00 -1.51 0.00 0.00 37.83 32.42 1s48 s LYS 131 CO 0.62 -1.21 0.65 -0.98 -0.36 0.00 0.00 175.35 174.07 1s48 s ARG 132 N -0.72 2.81 0.46 4.03 1.04 -0.98 -4.78 118.95 120.81 1s48 s ARG 132 Ca 0.21 -0.88 -0.20 0.00 -1.04 0.00 0.00 55.73 53.82 1s48 s ARG 132 Cb -0.15 -2.62 -0.10 0.00 -2.04 0.00 0.00 34.95 30.04 1s48 s ARG 132 CO -0.08 -0.39 0.98 -0.80 -0.04 0.00 0.00 175.30 174.97 1s48 s ASN 133 N -4.33 6.71 -0.11 -2.89 -0.87 -1.26 -1.01 114.94 111.19 1s48 s ASN 133 Ca 0.53 1.76 -0.24 0.00 -1.57 0.00 0.00 52.86 53.34 1s48 s ASN 133 Cb -0.10 -2.54 -0.27 0.00 -0.02 0.00 0.00 41.25 38.31 1s48 s ASN 133 CO 0.36 -0.52 0.73 0.40 -2.57 0.00 0.00 177.10 175.50 1s48 h ILE 134 N 1.71 1.51 -5.03 0.60 2.04 -1.90 -3.46 117.51 112.97 1s48 h ILE 134 Ca -0.49 -2.41 -0.42 0.00 1.00 0.00 0.00 64.86 62.54 1s48 h ILE 134 Cb 1.19 3.12 -0.06 0.00 -0.74 0.00 0.00 36.82 40.34 1s48 h ILE 134 CO 0.60 0.63 -0.25 -1.22 0.00 0.00 0.00 178.15 177.91 1s48 n TYR 135 N -4.33 -0.12 -2.85 1.37 4.02 -1.26 -4.82 117.16 109.17 1s48 n TYR 135 Ca -0.16 -1.65 -0.41 0.00 -0.01 0.00 0.00 57.90 55.67 1s48 n TYR 135 Cb 0.68 -0.27 -0.04 0.00 -0.02 0.00 0.00 39.34 39.69 1s48 n TYR 135 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1s48 s ASN 136 N -3.08 7.06 0.02 7.72 0.01 -0.44 -4.98 114.94 121.25 1s48 s ASN 136 Ca 0.12 1.29 -0.07 0.00 -0.71 0.00 0.00 52.86 53.49 1s48 s ASN 136 Cb -0.01 -2.48 -0.04 0.00 0.41 0.00 0.00 41.25 39.13 1s48 s ASN 136 CO 0.07 -0.36 1.12 -0.74 -1.51 0.00 0.00 177.10 175.68 1s48 h HIS 137 N 7.16 -0.29 -0.02 2.20 -0.00 -1.94 0.57 115.15 122.83 1s48 h HIS 137 Ca -0.32 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.08 1s48 h HIS 137 Cb 1.15 0.11 -0.06 0.00 -0.00 0.00 0.00 27.41 28.61 1s48 h HIS 137 CO 0.70 -0.14 -0.50 1.96 -0.00 0.00 0.00 177.93 179.95 1s48 h GLN 138 N -0.22 -0.61 -0.12 5.26 1.08 -1.94 0.26 115.11 118.83 1s48 h GLN 138 Ca -0.01 0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.27 1s48 h GLN 138 Cb 0.19 0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 27.70 1s48 h GLN 138 CO -0.01 -0.41 -0.20 0.82 -0.95 0.00 0.00 178.83 178.08 1s48 h ILE 139 N -0.63 0.50 -0.96 2.54 2.04 -1.95 -0.99 117.51 118.05 1s48 h ILE 139 Ca 0.03 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.99 1s48 h ILE 139 Cb 0.70 0.50 -0.07 0.00 -0.74 0.00 0.00 36.82 37.21 1s48 h ILE 139 CO -0.36 0.00 0.61 1.23 0.00 0.00 0.00 178.15 179.64 1s48 h GLY 140 N -0.26 1.46 0.75 5.37 0.00 0.71 -2.55 103.07 108.55 1s48 h GLY 140 Ca 0.10 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1s48 h GLY 140 CO -0.27 0.22 0.01 -0.84 0.00 0.00 0.00 176.54 175.66 1s48 h THR 141 N 0.99 1.23 0.00 4.70 2.02 0.29 -1.75 112.91 120.39 1s48 h THR 141 Ca 0.44 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1s48 h THR 141 Cb 0.38 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1s48 h THR 141 CO -0.20 0.20 0.00 -0.38 0.37 0.00 0.00 175.52 175.51 1s48 n ILE 142 N -4.87 0.00 0.00 3.11 5.41 -0.45 -1.57 119.36 120.99 1s48 n ILE 142 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.68 1s48 n ILE 142 Cb 0.18 -0.22 0.00 0.00 -0.71 0.00 0.00 39.64 38.88 1s48 n ILE 142 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1s48 n SER 144 N 0.69 0.00 0.14 4.38 7.64 -0.66 -3.31 113.62 122.50 1s48 n SER 144 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1s48 n SER 144 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1s48 n SER 144 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1s48 h SER 145 N 0.00 -0.40 -4.16 6.43 0.02 -1.56 -3.41 113.55 110.48 1s48 h SER 145 Ca 0.00 0.03 -0.45 0.00 -0.84 0.00 0.00 61.79 60.53 1s48 h SER 145 Cb 0.00 0.13 0.14 0.00 0.14 0.00 0.00 62.40 62.82 1s48 h SER 145 CO 0.00 -0.24 0.35 0.00 -1.14 0.00 0.00 176.83 175.81 1s48 s ALA 146 N -6.13 2.01 0.00 3.77 0.00 -1.21 -4.86 121.76 115.34 1s48 s ALA 146 Ca -0.15 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1s48 s ALA 146 Cb 0.06 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.28 1s48 s ALA 146 CO 0.65 -2.37 0.79 0.41 0.00 0.00 0.00 175.76 175.25 1s48 n GLY 147 N -2.90 1.37 3.65 0.00 0.00 -1.26 -4.81 105.19 101.24 1s48 n GLY 147 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1s48 n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s48 s ILE 148 N 0.51 4.76 -0.69 -0.61 1.01 -1.26 -3.59 121.20 121.32 1s48 s ILE 148 Ca 0.00 1.82 -0.17 0.00 0.00 0.00 0.00 60.65 62.30 1s48 s ILE 148 Cb 0.00 -4.22 0.15 0.00 0.01 0.00 0.00 42.46 38.40 1s48 s ILE 148 CO 0.00 -0.12 0.72 -0.13 0.00 0.00 0.00 174.94 175.41 1s48 s ARG 149 N 3.00 3.27 0.37 2.79 0.52 -0.62 -4.02 118.95 124.26 1s48 s ARG 149 Ca 0.40 -1.84 0.17 0.00 -0.52 0.00 0.00 55.73 53.94 1s48 s ARG 149 Cb -0.15 -4.40 1.10 0.00 0.52 0.00 0.00 34.95 32.01 1s48 s ARG 149 CO 0.07 -1.44 1.72 -0.07 0.02 0.00 0.00 175.30 175.60 1s48 h LEU 150 N 9.05 0.48 -2.06 2.53 3.38 -1.94 0.25 115.31 127.01 1s48 h LEU 150 Ca -0.11 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1s48 h LEU 150 Cb 1.07 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1s48 h LEU 150 CO 0.98 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 179.18 1s48 h GLU 151 N 0.38 0.00 -0.01 1.13 3.07 -1.95 -1.96 114.58 115.24 1s48 h GLU 151 Ca 0.67 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.53 1s48 h GLU 151 Cb 1.64 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.55 1s48 h GLU 151 CO -0.42 0.00 -0.38 1.63 -1.40 0.00 0.00 179.01 178.43 1s48 n LYS 152 N -2.71 0.96 -2.05 2.33 4.76 0.88 -4.92 118.16 117.41 1s48 n LYS 152 Ca -0.02 -0.69 -0.42 0.00 -2.87 0.00 0.00 58.31 54.31 1s48 n LYS 152 Cb 0.10 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.78 1s48 n LYS 152 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1s48 s LEU 153 N -2.52 4.31 0.00 -0.35 1.43 -0.74 -4.81 118.68 116.01 1s48 s LEU 153 Ca 0.21 2.19 -0.20 0.00 -1.03 0.00 0.00 54.13 55.31 1s48 s LEU 153 Cb 0.19 -3.54 -0.24 0.00 0.03 0.00 0.00 46.19 42.63 1s48 s LEU 153 CO 0.56 -0.90 1.21 -2.65 0.23 0.00 0.00 176.35 174.80 1s48 n PRO 154 N 6.91 0.00 -3.70 1.29 -0.02 -1.26 -4.78 135.00 133.44 1s48 n PRO 154 Ca 0.17 -0.66 -0.13 0.00 -2.02 0.00 0.00 63.50 60.86 1s48 n PRO 154 Cb 0.43 -2.01 -0.13 0.00 -0.02 0.00 0.00 33.50 31.77 1s48 n PRO 154 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1s48 s ILE 155 N 5.60 -0.18 0.22 4.25 1.10 -1.26 -1.75 121.20 129.18 1s48 s ILE 155 Ca 0.44 0.19 0.02 0.00 -0.51 0.00 0.00 60.65 60.79 1s48 s ILE 155 Cb 0.09 -0.41 -0.05 0.00 0.15 0.00 0.00 42.46 42.24 1s48 s ILE 155 CO 0.22 0.08 0.06 0.68 -2.11 0.00 0.00 174.94 173.87 1s48 s VAL 156 N 1.69 0.63 0.44 4.00 -7.23 -0.69 -4.94 120.40 114.30 1s48 s VAL 156 Ca -0.06 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.10 1s48 s VAL 156 Cb -0.11 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.38 1s48 s VAL 156 CO -0.09 -0.20 0.69 -0.13 -0.31 0.00 0.00 175.10 175.07 1s48 s ARG 157 N -3.98 3.34 0.09 4.82 0.52 -1.26 0.11 118.95 122.59 1s48 s ARG 157 Ca 0.32 -0.16 -0.17 0.00 -0.52 0.00 0.00 55.73 55.21 1s48 s ARG 157 Cb 0.07 -2.50 -0.07 0.00 0.52 0.00 0.00 34.95 32.97 1s48 s ARG 157 CO 0.10 -0.16 0.53 0.00 0.02 0.00 0.00 175.30 175.79 1s48 s ALA 158 N -2.59 3.61 -0.55 2.13 0.00 -0.50 -2.22 121.76 121.64 1s48 s ALA 158 Ca 0.46 -0.07 -0.27 0.00 0.00 0.00 0.00 51.96 52.07 1s48 s ALA 158 Cb -0.10 -2.55 -0.01 0.00 0.00 0.00 0.00 23.12 20.47 1s48 s ALA 158 CO 0.40 0.44 1.66 -0.65 0.00 0.00 0.00 175.76 177.61 1s48 s GLN 159 N -1.42 3.02 0.00 0.00 -0.21 -0.24 -4.76 119.66 116.05 1s48 s GLN 159 Ca 0.31 0.65 0.30 0.00 0.02 0.00 0.00 55.36 56.65 1s48 s GLN 159 Cb -0.17 -4.25 1.46 0.00 1.00 0.00 0.00 33.01 31.04 1s48 s GLN 159 CO 0.18 -2.27 1.99 2.41 -2.12 0.00 0.00 175.29 175.48 1s48 n THR 160 N 7.08 0.00 -1.90 -0.19 -1.04 -1.26 -4.12 114.28 112.85 1s48 n THR 160 Ca 0.17 -0.06 -0.38 0.00 -2.04 0.00 0.00 64.05 61.74 1s48 n THR 160 Cb 0.50 -0.19 0.03 0.00 -1.82 0.00 0.00 70.33 68.85 1s48 n THR 160 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1s48 s ASP 161 N -2.27 5.48 0.24 8.00 1.47 -1.26 -4.83 116.67 123.49 1s48 s ASP 161 Ca 0.36 2.64 -0.04 0.00 1.18 0.00 0.00 52.55 56.69 1s48 s ASP 161 Cb 0.21 -2.63 0.25 0.00 -0.34 0.00 0.00 42.92 40.41 1s48 s ASP 161 CO 0.42 -1.42 1.75 0.74 0.68 0.00 0.00 175.17 177.34 1s48 h THR 162 N 1.53 1.25 -0.41 2.11 2.02 -1.97 -0.89 112.91 116.55 1s48 h THR 162 Ca -0.50 -0.98 0.05 0.00 0.77 0.00 0.00 66.41 65.75 1s48 h THR 162 Cb 1.29 0.72 -0.08 0.00 -1.74 0.00 0.00 68.15 68.34 1s48 h THR 162 CO 0.58 0.36 -0.54 0.50 0.37 0.00 0.00 175.52 176.79 1s48 h LYS 163 N 0.89 -0.36 0.00 6.66 1.63 -1.98 -0.04 116.57 123.37 1s48 h LYS 163 Ca 0.18 0.02 -0.18 0.00 -0.85 0.00 0.00 60.65 59.83 1s48 h LYS 163 Cb 0.41 0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 32.09 1s48 h LYS 163 CO 0.01 -0.24 -0.85 1.79 -3.45 0.00 0.00 179.45 176.71 1s48 h THR 164 N -0.37 1.58 -0.96 1.00 1.35 -1.91 -2.90 112.91 110.69 1s48 h THR 164 Ca 0.07 -2.94 0.11 0.00 -0.55 0.00 0.00 66.41 63.11 1s48 h THR 164 Cb 0.56 2.60 -0.08 0.00 -1.73 0.00 0.00 68.15 69.50 1s48 h THR 164 CO -0.58 0.83 0.61 0.15 -0.25 0.00 0.00 175.52 176.29 1s48 h PHE 165 N 0.00 1.06 -0.15 4.73 3.57 -0.42 0.15 116.94 125.88 1s48 h PHE 165 Ca -0.01 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.31 1s48 h PHE 165 Cb 1.53 -0.34 0.01 0.00 2.79 0.00 0.00 35.95 39.94 1s48 h PHE 165 CO 0.00 0.44 -0.72 0.45 -2.23 0.00 0.00 178.31 176.25 1s48 h HIS 166 N 0.94 1.02 -0.47 0.41 3.86 -0.99 -2.59 115.15 117.33 1s48 h HIS 166 Ca 0.47 -0.45 0.09 0.00 -1.16 0.00 0.00 60.37 59.32 1s48 h HIS 166 Cb 0.48 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 1s48 h HIS 166 CO -0.00 1.27 0.32 0.93 0.86 0.00 0.00 177.93 181.31 1s48 h GLU 167 N 0.48 0.23 0.81 2.45 5.08 -0.99 -0.01 114.58 122.63 1s48 h GLU 167 Ca -0.05 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1s48 h GLU 167 Cb 1.36 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.56 1s48 h GLU 167 CO 0.15 0.15 -0.39 0.00 -1.00 0.00 0.00 179.01 177.92 1s48 h ALA 168 N 1.76 -1.09 -0.35 3.43 0.00 -0.38 0.71 119.26 123.34 1s48 h ALA 168 Ca 0.22 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1s48 h ALA 168 Cb 0.54 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 18.68 1s48 h ALA 168 CO -0.04 -1.06 -0.16 0.82 0.00 0.00 0.00 179.25 178.80 1s48 h ILE 169 N -1.19 0.50 -0.48 0.00 2.04 -1.06 -1.36 117.51 115.96 1s48 h ILE 169 Ca -0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1s48 h ILE 169 Cb 0.85 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1s48 h ILE 169 CO 0.18 0.00 0.31 0.03 0.00 0.00 0.00 178.15 178.67 1s48 h ARG 170 N -0.10 0.64 0.00 2.37 3.08 -0.95 -0.49 114.38 118.93 1s48 h ARG 170 Ca 0.18 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1s48 h ARG 170 Cb 0.37 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1s48 h ARG 170 CO -0.42 0.44 -0.25 -0.25 -1.07 0.00 0.00 179.97 178.42 1s48 n ASP 171 N -4.45 0.64 0.07 7.04 8.00 0.24 -4.26 116.55 123.82 1s48 n ASP 171 Ca 0.04 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.89 1s48 n ASP 171 Cb 0.06 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 1s48 n ASP 171 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1s48 n LYS 172 N -2.05 0.00 0.14 -1.24 5.02 -0.60 -4.89 118.16 114.54 1s48 n LYS 172 Ca 0.05 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.33 1s48 n LYS 172 Cb 0.41 -0.27 0.20 0.00 -0.02 0.00 0.00 35.03 35.35 1s48 n LYS 172 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1s48 h ILE 173 N 0.00 1.41 -0.94 -0.18 2.04 -1.31 -3.40 117.51 115.13 1s48 h ILE 173 Ca 0.00 -2.00 -0.45 0.00 1.00 0.00 0.00 64.86 63.41 1s48 h ILE 173 Cb 0.17 2.08 -0.07 0.00 -0.74 0.00 0.00 36.82 38.26 1s48 h ILE 173 CO 0.00 0.57 1.12 -0.62 0.00 0.00 0.00 178.15 179.22 1s48 s ASP 174 N -6.85 5.82 0.04 1.72 3.68 -0.51 -4.88 116.67 115.68 1s48 s ASP 174 Ca -0.01 -1.04 -0.27 0.00 2.13 0.00 0.00 52.55 53.35 1s48 s ASP 174 Cb 0.13 -2.56 0.07 0.00 -1.45 0.00 0.00 42.92 39.11 1s48 s ASP 174 CO 0.76 -2.13 0.66 -1.59 0.13 0.00 0.00 175.17 173.00 1s48 s LYS 175 N 6.01 1.13 0.84 4.34 -2.85 -1.26 -4.90 119.74 123.04 1s48 s LYS 175 Ca 0.58 -0.09 -0.12 0.00 -1.00 0.00 0.00 55.97 55.34 1s48 s LYS 175 Cb -0.03 0.53 0.09 0.00 -2.06 0.00 0.00 37.83 36.36 1s48 s LYS 175 CO -0.05 -0.43 1.13 -1.54 0.10 0.00 0.00 175.35 174.57 1s48 s SER 176 N -1.92 4.19 0.23 0.03 1.04 -1.26 -4.86 113.70 111.15 1s48 s SER 176 Ca -0.05 1.01 -0.29 0.00 0.48 0.00 0.00 55.95 57.10 1s48 s SER 176 Cb -0.00 -1.63 -0.09 0.00 0.10 0.00 0.00 66.02 64.40 1s48 s SER 176 CO -0.01 -2.13 0.92 -1.61 0.98 0.00 0.00 173.24 171.39 1s48 s GLU 177 N -5.33 4.82 0.21 4.02 2.02 -1.26 -4.99 118.70 118.19 1s48 s GLU 177 Ca 0.62 1.45 -0.32 0.00 0.02 0.00 0.00 54.97 56.74 1s48 s GLU 177 Cb -0.13 -3.28 -0.12 0.00 0.10 0.00 0.00 34.13 30.70 1s48 s GLU 177 CO 0.52 0.53 1.71 -0.80 0.02 0.00 0.00 175.26 177.24 1s48 s ASN 178 N -1.18 6.39 0.33 -0.19 0.01 -1.26 -4.94 114.94 114.11 1s48 s ASN 178 Ca 0.40 2.86 -0.29 0.00 -0.71 0.00 0.00 52.86 55.13 1s48 s ASN 178 Cb -0.26 -2.60 -0.10 0.00 0.41 0.00 0.00 41.25 38.70 1s48 s ASN 178 CO 0.31 -0.97 1.34 -0.60 -1.51 0.00 0.00 177.10 175.68 1s48 s ARG 179 N 1.13 4.31 0.01 -0.60 3.52 -1.26 -4.89 118.95 121.17 1s48 s ARG 179 Ca 0.74 2.27 0.03 0.00 -0.13 0.00 0.00 55.73 58.65 1s48 s ARG 179 Cb -0.49 -3.06 -0.01 0.00 -1.56 0.00 0.00 34.95 29.83 1s48 s ARG 179 CO 0.32 -0.26 -0.09 -0.65 -0.81 0.00 0.00 175.30 173.81 1s48 s GLN 180 N -1.71 0.72 0.43 5.12 -0.21 -1.26 -4.27 119.66 118.48 1s48 s GLN 180 Ca 0.50 -0.43 -0.24 0.00 0.02 0.00 0.00 55.36 55.21 1s48 s GLN 180 Cb -0.41 -0.68 -0.10 0.00 1.00 0.00 0.00 33.01 32.83 1s48 s GLN 180 CO 0.54 0.18 1.15 0.27 -2.12 0.00 0.00 175.29 175.30 1s48 n ASN 181 N 2.56 1.92 -0.19 5.90 6.94 -1.01 -4.92 115.26 126.46 1s48 n ASN 181 Ca -0.15 1.06 -0.05 0.00 -0.02 0.00 0.00 54.58 55.42 1s48 n ASN 181 Cb 0.56 -1.43 -0.04 0.00 -2.36 0.00 0.00 39.78 36.50 1s48 n ASN 181 CO 0.00 0.00 0.00 -0.65 -1.03 0.00 0.00 177.26 175.58 1s48 h PRO 182 N 1.75 -0.01 0.00 -0.53 0.11 -2.00 -2.69 132.00 128.63 1s48 h PRO 182 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1s48 h PRO 182 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1s48 h PRO 182 CO 0.58 -0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.76 1s48 n GLU 183 N -4.01 0.91 -0.21 1.05 -0.58 -1.26 -4.21 120.64 112.33 1s48 n GLU 183 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1s48 n GLU 183 Cb 0.12 -1.47 0.08 0.00 -0.57 0.00 0.00 31.44 29.59 1s48 n GLU 183 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1s48 h LEU 184 N 0.00 -0.51 -0.71 -4.62 7.12 -1.84 0.30 115.31 115.05 1s48 h LEU 184 Ca 0.00 0.18 -0.08 0.00 0.13 0.00 0.00 57.88 58.11 1s48 h LEU 184 Cb 0.00 0.36 -0.01 0.00 -0.53 0.00 0.00 40.66 40.48 1s48 h LEU 184 CO 0.00 -0.19 -0.40 0.45 -0.13 0.00 0.00 178.44 178.17 1s48 h HIS 185 N 0.03 0.00 0.11 1.25 3.86 -1.81 0.15 115.15 118.74 1s48 h HIS 185 Ca 0.31 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.52 1s48 h HIS 185 Cb 0.49 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.96 1s48 h HIS 185 CO -0.48 0.40 -0.05 -0.91 0.86 0.00 0.00 177.93 177.75 1s48 h ASN 186 N 0.00 -0.13 0.22 2.45 2.35 -1.36 -1.84 115.58 117.26 1s48 h ASN 186 Ca -0.00 -0.44 -0.01 0.00 -0.55 0.00 0.00 56.30 55.30 1s48 h ASN 186 Cb 1.02 0.03 -0.00 0.00 0.05 0.00 0.00 38.32 39.42 1s48 h ASN 186 CO 0.05 0.44 -0.05 0.11 -1.65 0.00 0.00 177.43 176.33 1s48 h LYS 187 N -0.78 0.00 0.03 0.81 1.57 -0.43 0.91 116.57 118.68 1s48 h LYS 187 Ca -0.02 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.51 1s48 h LYS 187 Cb 0.56 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.89 1s48 h LYS 187 CO 0.03 0.05 -1.00 -0.07 -0.57 0.00 0.00 179.45 177.89 1s48 h LEU 188 N 0.00 0.82 -0.91 2.94 3.38 -0.65 -2.51 115.31 118.38 1s48 h LEU 188 Ca -0.00 -0.77 -0.06 0.00 0.09 0.00 0.00 57.88 57.14 1s48 h LEU 188 Cb 0.18 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1s48 h LEU 188 CO 0.01 1.49 0.16 0.25 0.09 0.00 0.00 178.44 180.44 1s48 h LEU 189 N 0.24 0.91 -0.44 1.67 6.46 -0.40 -1.89 115.31 121.86 1s48 h LEU 189 Ca -0.13 -0.17 0.04 0.00 -0.12 0.00 0.00 57.88 57.49 1s48 h LEU 189 Cb 1.67 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 41.33 1s48 h LEU 189 CO 0.19 0.87 0.22 -0.08 -0.62 0.00 0.00 178.44 179.02 1s48 h GLU 190 N 0.93 0.43 -0.85 1.25 4.81 -0.82 -1.29 114.58 119.03 1s48 h GLU 190 Ca 0.20 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1s48 h GLU 190 Cb 0.31 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1s48 h GLU 190 CO -0.00 0.28 0.43 0.82 -0.73 0.00 0.00 179.01 179.81 1s48 h ILE 191 N 0.44 1.26 -0.38 2.32 2.04 -0.97 -2.75 117.51 119.46 1s48 h ILE 191 Ca 0.19 -0.68 0.03 0.00 1.00 0.00 0.00 64.86 65.40 1s48 h ILE 191 Cb 0.09 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.28 1s48 h ILE 191 CO -0.13 0.30 0.19 0.15 0.00 0.00 0.00 178.15 178.65 1s48 h PHE 192 N 1.20 0.35 -0.11 1.37 3.57 -0.49 -1.31 116.94 121.52 1s48 h PHE 192 Ca 0.30 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.84 1s48 h PHE 192 Cb 0.08 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.71 1s48 h PHE 192 CO 0.01 0.18 0.08 0.45 -2.23 0.00 0.00 178.31 176.81 1s48 h HIS 193 N 0.38 0.00 0.00 0.41 3.86 -1.00 0.28 115.15 119.08 1s48 h HIS 193 Ca 0.16 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1s48 h HIS 193 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 1s48 h HIS 193 CO -0.10 0.00 0.00 0.25 0.86 0.00 0.00 177.93 178.94 1s48 n THR 194 N -4.32 0.49 -0.05 2.45 -2.24 -0.50 -3.17 114.28 106.93 1s48 n THR 194 Ca -0.00 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1s48 n THR 194 Cb 0.20 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 1s48 n THR 194 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1s48 n ILE 195 N -1.40 0.00 -2.10 2.28 -5.35 0.79 -5.02 119.36 108.56 1s48 n ILE 195 Ca 0.07 -0.44 -0.37 0.00 -0.27 0.00 0.00 62.75 61.74 1s48 n ILE 195 Cb 0.21 1.05 0.01 0.00 -1.74 0.00 0.00 39.64 39.16 1s48 n ILE 195 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1s48 s ALA 196 N -0.52 2.89 -0.41 -1.28 0.00 -0.16 -4.99 121.76 117.29 1s48 s ALA 196 Ca 0.00 1.05 -0.11 0.00 0.00 0.00 0.00 51.96 52.90 1s48 s ALA 196 Cb 0.00 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 19.73 1s48 s ALA 196 CO 0.00 -0.90 0.25 -0.65 0.00 0.00 0.00 175.76 174.46 1s48 s GLN 197 N -2.82 2.77 0.49 0.00 1.11 -1.26 -4.95 119.66 115.00 1s48 s GLN 197 Ca 0.67 -1.26 0.17 0.00 0.01 0.00 0.00 55.36 54.96 1s48 s GLN 197 Cb -0.32 -3.81 1.21 0.00 -1.01 0.00 0.00 33.01 29.08 1s48 s GLN 197 CO 0.38 -0.84 2.05 -1.35 0.01 0.00 0.00 175.29 175.54 1s48 h PRO 198 N 8.48 0.15 -0.89 2.91 0.11 -1.97 -1.78 132.00 139.01 1s48 h PRO 198 Ca -0.25 -0.01 0.23 0.00 0.11 0.00 0.00 66.00 66.08 1s48 h PRO 198 Cb 1.10 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 1s48 h PRO 198 CO 0.73 0.10 0.61 1.15 -0.21 0.00 0.00 178.00 180.38 1s48 h THR 199 N 0.15 0.61 -0.01 -1.15 2.02 -2.02 -0.80 112.91 111.71 1s48 h THR 199 Ca 0.16 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.27 1s48 h THR 199 Cb 0.43 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1s48 h THR 199 CO -0.02 0.04 -0.37 0.18 0.37 0.00 0.00 175.52 175.72 1s48 n LEU 200 N -4.40 1.54 -4.67 2.58 4.77 -0.68 -4.92 117.00 111.22 1s48 n LEU 200 Ca 0.19 -0.74 -0.48 0.00 -0.03 0.00 0.00 56.01 54.95 1s48 n LEU 200 Cb 0.83 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.87 1s48 n LEU 200 CO 0.34 0.30 1.25 1.17 -1.33 0.00 0.00 177.39 179.13 1s48 n LYS 201 N -0.23 1.99 -2.39 3.23 4.81 -0.31 -1.67 118.16 123.59 1s48 n LYS 201 Ca 0.06 0.72 -0.18 0.00 -0.87 0.00 0.00 58.31 58.05 1s48 n LYS 201 Cb 0.33 -2.50 -0.01 0.00 0.02 0.00 0.00 35.03 32.87 1s48 n LYS 201 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1s48 n HIS 202 N 4.36 -1.11 0.41 5.64 8.25 0.16 -4.87 115.22 128.06 1s48 n HIS 202 Ca 0.19 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.71 1s48 n HIS 202 Cb 0.27 -3.55 -0.08 0.00 1.12 0.00 0.00 29.99 27.75 1s48 n HIS 202 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1s48 n THR 203 N -3.75 0.00 -2.38 1.59 -2.24 -0.67 -3.73 114.28 103.09 1s48 n THR 203 Ca -0.21 -0.23 -0.41 0.00 -2.27 0.00 0.00 64.05 60.93 1s48 n THR 203 Cb 0.66 0.77 -0.04 0.00 -2.10 0.00 0.00 70.33 69.63 1s48 n THR 203 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1s48 s TYR 204 N -2.36 3.45 0.21 4.78 1.51 0.15 -4.76 117.35 120.32 1s48 s TYR 204 Ca 0.02 1.58 0.02 0.00 -1.01 0.00 0.00 57.07 57.68 1s48 s TYR 204 Cb 0.09 -3.39 -0.01 0.00 -0.11 0.00 0.00 41.96 38.54 1s48 s TYR 204 CO 0.51 -0.94 0.24 0.41 -1.11 0.00 0.00 175.55 174.66 1s48 n GLY 205 N 1.35 2.90 3.48 0.71 0.00 -1.26 -1.73 105.19 110.63 1s48 n GLY 205 Ca 0.00 -1.66 -0.28 0.00 0.00 0.00 0.00 46.02 44.08 1s48 n GLY 205 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s48 s GLU 206 N -2.66 -1.11 0.14 1.61 2.12 -1.25 -4.74 118.70 112.81 1s48 s GLU 206 Ca 0.21 0.74 0.02 0.00 0.36 0.00 0.00 54.97 56.30 1s48 s GLU 206 Cb 0.00 -1.54 -0.04 0.00 0.26 0.00 0.00 34.13 32.81 1s48 s GLU 206 CO 0.15 -3.82 -0.03 0.14 -0.54 0.00 0.00 175.26 171.16 1s48 s VAL 207 N -2.47 0.68 0.44 3.70 -7.23 -0.68 -4.97 120.40 109.86 1s48 s VAL 207 Ca 0.68 -1.96 -0.24 0.00 -1.81 0.00 0.00 61.98 58.65 1s48 s VAL 207 Cb -0.24 -1.92 -0.08 0.00 0.56 0.00 0.00 36.38 34.70 1s48 s VAL 207 CO 0.64 -0.66 1.25 0.42 -0.31 0.00 0.00 175.10 176.44 1s48 s THR 208 N -3.65 2.76 0.64 5.32 -4.23 -1.26 -4.83 115.64 110.39 1s48 s THR 208 Ca 0.18 0.63 0.36 0.00 -1.18 0.00 0.00 61.69 61.68 1s48 s THR 208 Cb 0.06 -3.35 0.39 0.00 1.34 0.00 0.00 72.50 70.94 1s48 s THR 208 CO -0.00 0.05 2.22 -0.50 -0.54 0.00 0.00 174.62 175.85 1s48 h TRP 209 N 2.32 0.00 0.00 3.99 4.06 -1.99 0.28 115.95 124.61 1s48 h TRP 209 Ca -0.50 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.45 1s48 h TRP 209 Cb 1.25 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.41 1s48 h TRP 209 CO 0.52 0.00 0.00 0.39 -3.56 0.00 0.00 178.44 175.79 1s48 n GLU 210 N -3.34 0.08 -0.01 0.49 4.71 -1.26 -1.47 120.64 119.84 1s48 n GLU 210 Ca -0.02 0.28 0.00 0.00 -0.01 0.00 0.00 57.16 57.41 1s48 n GLU 210 Cb 0.18 -1.64 -0.03 0.00 -1.01 0.00 0.00 31.44 28.94 1s48 n GLU 210 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 1s48 n GLN 211 N -1.79 1.68 -0.18 3.49 7.27 0.02 -4.35 117.38 123.52 1s48 n GLN 211 Ca 0.04 -0.02 -0.09 0.00 0.07 0.00 0.00 57.00 57.00 1s48 n GLN 211 Cb 0.22 -1.10 0.01 0.00 2.41 0.00 0.00 30.24 31.79 1s48 n GLN 211 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 1s48 h LEU 212 N 0.00 0.78 -1.37 1.69 5.85 -1.36 -2.18 115.31 118.72 1s48 h LEU 212 Ca -0.05 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1s48 h LEU 212 Cb 0.68 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1s48 h LEU 212 CO 0.00 0.81 0.00 -0.33 -0.34 0.00 0.00 178.44 178.58 1s48 h GLU 213 N 0.71 0.00 -6.43 1.25 5.08 -1.49 -3.41 114.58 110.30 1s48 h GLU 213 Ca 0.16 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.95 1s48 h GLU 213 Cb 0.33 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 1s48 h GLU 213 CO 0.00 0.00 1.14 0.00 -1.00 0.00 0.00 179.01 179.15 1s48 s ALA 214 N -3.56 3.01 0.00 3.43 0.00 -0.82 -3.54 121.76 120.28 1s48 s ALA 214 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1s48 s ALA 214 Cb 0.09 -3.96 0.00 0.00 0.00 0.00 0.00 23.12 19.25 1s48 s ALA 214 CO 0.34 -2.43 0.00 0.41 0.00 0.00 0.00 175.76 174.08 1s48 n GLY 215 N 5.16 1.81 3.59 0.00 0.00 -1.26 -5.02 105.19 109.46 1s48 n GLY 215 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 1s48 n GLY 215 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1s48 n VAL 216 N -2.00 2.01 -2.85 1.61 0.24 -1.23 -3.74 118.33 112.36 1s48 n VAL 216 Ca 0.00 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 61.37 1s48 n VAL 216 Cb 0.00 -0.99 -0.04 0.00 -1.47 0.00 0.00 33.84 31.34 1s48 n VAL 216 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1s48 s ASN 217 N -0.57 6.22 0.11 -1.34 2.47 -1.26 -4.89 114.94 115.67 1s48 s ASN 217 Ca 0.59 -0.77 -0.23 0.00 0.42 0.00 0.00 52.86 52.87 1s48 s ASN 217 Cb -0.70 -2.42 -0.09 0.00 -1.45 0.00 0.00 41.25 36.59 1s48 s ASN 217 CO 0.60 -1.37 1.70 0.03 -3.72 0.00 0.00 177.10 174.34 1s48 h ARG 218 N 9.48 -0.13 -0.00 0.43 3.08 -1.91 -1.87 114.38 123.45 1s48 h ARG 218 Ca -0.28 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1s48 h ARG 218 Cb 1.07 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1s48 h ARG 218 CO 1.15 -0.09 0.00 1.63 -1.07 0.00 0.00 179.97 181.59 1s48 n LYS 219 N -5.21 0.00 -1.72 0.04 5.02 -1.26 -3.10 118.16 111.94 1s48 n LYS 219 Ca -0.06 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.81 1s48 n LYS 219 Cb 0.13 -1.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.12 1s48 n LYS 219 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s48 n GLY 220 N 0.21 1.28 1.80 0.72 0.00 -0.71 -4.90 105.19 103.59 1s48 n GLY 220 Ca 0.00 0.53 -0.23 0.00 0.00 0.00 0.00 46.02 46.33 1s48 n GLY 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s48 n ALA 221 N 2.74 -3.84 -0.08 4.61 0.00 -1.26 -2.57 120.51 120.11 1s48 n ALA 221 Ca 0.12 -0.67 -0.15 0.00 0.00 0.00 0.00 53.44 52.75 1s48 n ALA 221 Cb 0.34 -0.56 -0.07 0.00 0.00 0.00 0.00 19.45 19.17 1s48 n ALA 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s48 n ALA 222 N -1.86 1.80 0.00 0.00 0.00 -1.26 -4.00 120.51 115.18 1s48 n ALA 222 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1s48 n ALA 222 Cb 0.41 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1s48 n ALA 222 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s48 n GLY 223 N 2.33 2.80 0.33 0.00 0.00 -1.26 -4.24 105.19 105.15 1s48 n GLY 223 Ca -0.31 -1.48 0.15 0.00 0.00 0.00 0.00 46.02 44.38 1s48 n GLY 223 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1s48 h PHE 224 N 0.00 0.91 -0.52 1.61 3.57 -1.93 -1.10 116.94 119.47 1s48 h PHE 224 Ca 0.00 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 1s48 h PHE 224 Cb 0.00 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.44 1s48 h PHE 224 CO 0.00 0.07 0.08 1.28 -2.23 0.00 0.00 178.31 177.51 1s48 n LEU 225 N -4.91 5.23 -4.31 0.59 4.77 -1.26 -4.93 117.00 112.18 1s48 n LEU 225 Ca 0.24 -3.10 -0.30 0.00 -0.03 0.00 0.00 56.01 52.82 1s48 n LEU 225 Cb 0.67 -0.66 -0.15 0.00 -2.33 0.00 0.00 43.42 40.95 1s48 n LEU 225 CO 0.16 0.74 -0.56 -0.70 -1.33 0.00 0.00 177.39 175.70 1s48 s GLU 226 N -2.89 1.86 -0.14 3.23 2.12 -0.42 -5.04 118.70 117.41 1s48 s GLU 226 Ca 0.51 -0.99 -0.23 0.00 0.36 0.00 0.00 54.97 54.62 1s48 s GLU 226 Cb 0.40 -1.91 -0.25 0.00 0.26 0.00 0.00 34.13 32.63 1s48 s GLU 226 CO 0.12 0.51 0.58 1.57 -0.54 0.00 0.00 175.26 177.50 1s48 h LYS 227 N 5.15 0.09 -6.41 4.30 5.09 -1.87 -3.41 116.57 119.51 1s48 h LYS 227 Ca -0.44 -0.15 -0.50 0.00 0.09 0.00 0.00 60.65 59.64 1s48 h LYS 227 Cb 1.14 0.06 -0.01 0.00 0.10 0.00 0.00 32.23 33.52 1s48 h LYS 227 CO 0.45 1.07 -0.23 0.15 -2.09 0.00 0.00 179.45 178.80 1s48 s LYS 228 N -2.34 3.53 0.50 0.07 1.02 -1.26 -5.01 119.74 116.25 1s48 s LYS 228 Ca -0.21 -0.26 0.08 0.00 0.02 0.00 0.00 55.97 55.59 1s48 s LYS 228 Cb 0.02 -2.72 0.03 0.00 -0.52 0.00 0.00 37.83 34.64 1s48 s LYS 228 CO 0.69 0.25 0.53 0.54 -0.92 0.00 0.00 175.35 176.45 1s48 s ASN 229 N -3.53 5.02 0.65 2.83 6.03 -1.26 -4.60 114.94 120.08 1s48 s ASN 229 Ca 0.40 -0.88 -0.18 0.00 -1.03 0.00 0.00 52.86 51.17 1s48 s ASN 229 Cb -0.10 -0.04 -0.01 0.00 -3.03 0.00 0.00 41.25 38.07 1s48 s ASN 229 CO 0.32 -1.00 1.29 -0.63 -2.03 0.00 0.00 177.10 175.05 1s48 s ILE 230 N -2.60 2.05 0.00 0.54 1.01 -1.06 -0.86 121.20 120.28 1s48 s ILE 230 Ca 0.49 0.03 0.00 0.00 0.00 0.00 0.00 60.65 61.17 1s48 s ILE 230 Cb -0.04 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.42 1s48 s ILE 230 CO 0.30 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.84 1s48 n GLY 231 N 0.88 2.34 0.27 6.18 0.00 -1.26 -4.30 105.19 109.31 1s48 n GLY 231 Ca 0.16 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 1s48 n GLY 231 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s48 h GLU 232 N 0.00 0.93 -0.50 1.61 5.08 -1.71 1.14 114.58 121.12 1s48 h GLU 232 Ca 0.00 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 57.99 1s48 h GLU 232 Cb 0.00 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1s48 h GLU 232 CO 0.00 0.95 0.05 0.28 -1.00 0.00 0.00 179.01 179.29 1s48 h VAL 233 N 0.79 1.26 -0.82 3.13 2.07 -1.23 -1.22 116.25 120.23 1s48 h VAL 233 Ca 0.14 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 1s48 h VAL 233 Cb 0.55 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1s48 h VAL 233 CO 0.03 0.35 0.43 -0.07 0.02 0.00 0.00 177.57 178.33 1s48 h LEU 234 N 0.72 1.03 0.50 2.57 3.38 -1.62 -0.64 115.31 121.25 1s48 h LEU 234 Ca 0.15 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1s48 h LEU 234 Cb 0.45 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1s48 h LEU 234 CO 0.02 0.85 -0.24 0.44 0.09 0.00 0.00 178.44 179.59 1s48 h ASP 235 N 1.15 -0.57 0.00 -0.43 3.32 0.17 -3.39 116.42 116.67 1s48 h ASP 235 Ca 0.29 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1s48 h ASP 235 Cb 0.06 0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1s48 h ASP 235 CO -0.04 -0.20 0.00 -1.54 -1.72 0.00 0.00 179.24 175.74 1s48 n SER 236 N -5.26 0.00 -0.66 6.45 3.41 -0.49 -4.68 113.62 112.38 1s48 n SER 236 Ca -0.10 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 1s48 n SER 236 Cb 0.31 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1s48 n SER 236 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1s48 n GLU 237 N -2.15 0.28 0.27 4.33 1.02 -0.82 -4.01 120.64 119.55 1s48 n GLU 237 Ca 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.30 1s48 n GLU 237 Cb 0.00 -1.21 0.88 0.00 -0.02 0.00 0.00 31.44 31.09 1s48 n GLU 237 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1s48 h LYS 238 N 0.95 0.00 0.07 3.49 3.64 -1.35 -1.04 116.57 122.34 1s48 h LYS 238 Ca 0.00 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.10 1s48 h LYS 238 Cb 0.19 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1s48 h LYS 238 CO 0.00 0.00 -1.14 0.45 -2.27 0.00 0.00 179.45 176.49 1s48 h HIS 239 N 0.00 1.02 -0.88 1.91 3.86 -1.87 -3.14 115.15 116.05 1s48 h HIS 239 Ca 0.03 -0.60 0.06 0.00 -1.16 0.00 0.00 60.37 58.70 1s48 h HIS 239 Cb 0.17 -0.10 -0.06 0.00 1.06 0.00 0.00 27.41 28.49 1s48 h HIS 239 CO 0.00 1.44 0.57 -0.07 0.86 0.00 0.00 177.93 180.73 1s48 h LEU 240 N 0.31 0.89 -1.27 2.43 3.38 -1.52 -0.82 115.31 118.71 1s48 h LEU 240 Ca -0.16 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1s48 h LEU 240 Cb 1.80 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.35 1s48 h LEU 240 CO 0.22 0.58 0.06 0.58 0.09 0.00 0.00 178.44 179.97 1s48 h VAL 241 N 1.01 1.19 -0.14 1.22 2.07 -1.48 -2.36 116.25 117.76 1s48 h VAL 241 Ca 0.37 -0.69 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 1s48 h VAL 241 Cb 0.17 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1s48 h VAL 241 CO -0.13 0.25 -0.36 -0.33 0.02 0.00 0.00 177.57 177.01 1s48 h GLU 242 N 0.55 0.28 0.05 1.57 5.08 -1.10 -2.49 114.58 118.51 1s48 h GLU 242 Ca 0.12 -0.12 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 1s48 h GLU 242 Cb 0.26 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1s48 h GLU 242 CO 0.00 0.61 -1.04 0.37 -1.00 0.00 0.00 179.01 177.95 1s48 h GLN 243 N 0.24 0.23 -0.41 2.33 5.75 -1.25 -2.50 115.11 119.50 1s48 h GLN 243 Ca 0.03 -0.31 0.07 0.00 -0.15 0.00 0.00 58.65 58.28 1s48 h GLN 243 Cb 0.76 0.10 -0.06 0.00 1.07 0.00 0.00 27.48 29.35 1s48 h GLN 243 CO 0.06 1.08 0.06 1.25 -2.65 0.00 0.00 178.83 178.63 1s48 h LEU 244 N 0.10 -0.04 -1.00 -2.39 6.46 -1.10 0.83 115.31 118.17 1s48 h LEU 244 Ca -0.08 0.08 0.08 0.00 -0.12 0.00 0.00 57.88 57.84 1s48 h LEU 244 Cb 1.73 0.11 -0.07 0.00 -0.73 0.00 0.00 40.66 41.70 1s48 h LEU 244 CO 0.16 0.02 0.64 0.58 -0.62 0.00 0.00 178.44 179.22 1s48 h VAL 245 N 0.18 1.04 -0.08 1.05 2.07 -1.45 0.28 116.25 119.34 1s48 h VAL 245 Ca 0.20 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1s48 h VAL 245 Cb 0.26 -0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1s48 h VAL 245 CO -0.28 0.20 -0.08 0.03 0.02 0.00 0.00 177.57 177.47 1s48 h ARG 246 N 1.12 0.19 -0.51 1.57 3.08 -0.06 0.18 114.38 119.95 1s48 h ARG 246 Ca 0.45 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.40 1s48 h ARG 246 Cb 0.26 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 1s48 h ARG 246 CO -0.20 0.62 0.30 -0.44 -1.07 0.00 0.00 179.97 179.18 1s48 h ASP 247 N -0.24 0.60 0.00 7.04 3.32 0.97 0.04 116.42 128.16 1s48 h ASP 247 Ca 0.01 -0.03 -0.19 0.00 0.02 0.00 0.00 57.03 56.84 1s48 h ASP 247 Cb 0.58 -0.15 0.02 0.00 0.22 0.00 0.00 39.33 40.00 1s48 h ASP 247 CO 0.02 0.47 -0.76 -0.07 -1.72 0.00 0.00 179.24 177.17 1s48 h LEU 248 N 0.69 0.66 -0.95 1.55 4.07 -0.39 0.61 115.31 121.56 1s48 h LEU 248 Ca 0.18 -0.76 0.00 0.00 0.08 0.00 0.00 57.88 57.39 1s48 h LEU 248 Cb -0.02 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 41.47 1s48 h LEU 248 CO -0.03 1.33 0.60 0.50 -1.08 0.00 0.00 178.44 179.76 1s48 h LYS 249 N 0.06 1.28 0.00 1.13 3.64 -0.23 0.21 116.57 122.67 1s48 h LYS 249 Ca -0.10 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1s48 h LYS 249 Cb 1.45 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1s48 h LYS 249 CO 0.15 0.88 0.00 0.00 -2.27 0.00 0.00 179.45 178.21 1s48 n ALA 250 N -2.38 2.56 -3.49 5.00 0.00 -0.03 -4.20 120.51 117.97 1s48 n ALA 250 Ca 0.11 -0.13 -0.21 0.00 0.00 0.00 0.00 53.44 53.21 1s48 n ALA 250 Cb 0.04 -1.34 0.03 0.00 0.00 0.00 0.00 19.45 18.18 1s48 n ALA 250 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s48 n GLY 251 N 0.74 -1.12 0.00 0.00 0.00 0.75 -5.00 105.19 100.56 1s48 n GLY 251 Ca 0.16 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.68 1s48 n GLY 251 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s48 n ARG 252 N -3.31 2.30 -2.57 1.61 1.74 0.21 -5.00 116.66 111.63 1s48 n ARG 252 Ca -0.10 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.57 1s48 n ARG 252 Cb 0.59 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.99 1s48 n ARG 252 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1s48 s LYS 253 N 0.03 4.63 -0.23 5.56 2.47 -1.26 -4.88 119.74 126.05 1s48 s LYS 253 Ca 0.00 1.65 -0.04 0.00 -1.56 0.00 0.00 55.97 56.03 1s48 s LYS 253 Cb 0.00 -3.30 0.12 0.00 -1.46 0.00 0.00 37.83 33.20 1s48 s LYS 253 CO 0.00 0.13 0.39 -1.50 0.16 0.00 0.00 175.35 174.52 1s48 s ILE 254 N -0.26 -0.61 -1.07 5.43 2.07 -1.26 -4.95 121.20 120.55 1s48 s ILE 254 Ca 0.48 -0.00 -0.23 0.00 -1.41 0.00 0.00 60.65 59.49 1s48 s ILE 254 Cb -0.28 -0.77 -0.02 0.00 0.13 0.00 0.00 42.46 41.52 1s48 s ILE 254 CO 0.34 -0.07 1.80 -0.54 -1.91 0.00 0.00 174.94 174.56 1s48 s LYS 255 N 2.56 3.00 0.20 3.50 1.02 -1.26 -4.94 119.74 123.82 1s48 s LYS 255 Ca 0.09 -0.98 -0.23 0.00 0.02 0.00 0.00 55.97 54.87 1s48 s LYS 255 Cb -0.15 -5.25 -0.08 0.00 -0.52 0.00 0.00 37.83 31.83 1s48 s LYS 255 CO -0.15 -3.10 0.76 -0.47 -0.92 0.00 0.00 175.35 171.48 1s48 s TYR 256 N 8.24 3.78 -0.02 3.18 5.04 -1.26 -5.05 117.35 131.25 1s48 s TYR 256 Ca 0.62 1.53 -0.29 0.00 -2.44 0.00 0.00 57.07 56.48 1s48 s TYR 256 Cb -0.02 -2.71 0.11 0.00 0.35 0.00 0.00 41.96 39.69 1s48 s TYR 256 CO 0.02 0.42 0.93 1.52 -1.34 0.00 0.00 175.55 177.10 1s48 s TYR 257 N -1.35 -0.31 0.06 4.97 -0.85 -1.26 -4.46 117.35 114.15 1s48 s TYR 257 Ca 0.40 0.18 0.07 0.00 -0.52 0.00 0.00 57.07 57.20 1s48 s TYR 257 Cb -0.20 0.54 -0.03 0.00 0.38 0.00 0.00 41.96 42.65 1s48 s TYR 257 CO 0.23 -0.51 -0.20 -1.21 -1.52 0.00 0.00 175.55 172.34 1s48 s GLU 258 N -3.04 1.27 -0.07 -3.49 2.02 -0.57 -4.44 118.70 110.39 1s48 s GLU 258 Ca 0.06 -1.00 -0.14 0.00 0.02 0.00 0.00 54.97 53.90 1s48 s GLU 258 Cb -0.01 -1.43 -0.05 0.00 0.10 0.00 0.00 34.13 32.74 1s48 s GLU 258 CO -0.08 0.35 0.37 0.99 0.02 0.00 0.00 175.26 176.91 1s48 s THR 259 N -0.92 5.16 -0.26 3.63 2.01 0.00 -0.82 115.64 124.45 1s48 s THR 259 Ca 0.07 0.74 0.02 0.00 0.31 0.00 0.00 61.69 62.82 1s48 s THR 259 Cb -0.09 -3.68 0.05 0.00 0.01 0.00 0.00 72.50 68.79 1s48 s THR 259 CO 0.03 0.50 -0.10 0.00 -0.69 0.00 0.00 174.62 174.35 1s48 s ALA 260 N -0.42 2.58 0.11 7.40 0.00 0.05 -1.29 121.76 130.18 1s48 s ALA 260 Ca 0.22 -1.69 0.08 0.00 0.00 0.00 0.00 51.96 50.57 1s48 s ALA 260 Cb -0.15 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 1s48 s ALA 260 CO 0.10 -1.09 -0.21 0.96 0.00 0.00 0.00 175.76 175.52 1s48 s ILE 261 N 1.15 1.72 0.11 0.00 -4.36 -0.72 -1.68 121.20 117.43 1s48 s ILE 261 Ca -0.06 -1.58 -0.30 0.00 -0.26 0.00 0.00 60.65 58.45 1s48 s ILE 261 Cb -0.19 -1.58 -0.06 0.00 1.25 0.00 0.00 42.46 41.88 1s48 s ILE 261 CO -0.05 -0.09 1.07 -2.16 0.24 0.00 0.00 174.94 173.95 1s48 s PRO 262 N -1.99 4.58 -0.08 0.37 0.04 -1.26 -0.77 135.00 135.89 1s48 s PRO 262 Ca 0.07 1.63 -0.30 0.00 0.04 0.00 0.00 61.00 62.44 1s48 s PRO 262 Cb -0.10 -3.34 -0.03 0.00 0.04 0.00 0.00 34.50 31.07 1s48 s PRO 262 CO 0.04 0.02 1.30 0.21 0.04 0.00 0.00 177.00 178.61 1s48 s LYS 263 N 0.21 4.28 -0.29 4.56 2.20 0.43 -4.90 119.74 126.23 1s48 s LYS 263 Ca 0.51 1.77 -0.23 0.00 -0.36 0.00 0.00 55.97 57.67 1s48 s LYS 263 Cb -0.27 -3.66 -0.00 0.00 -1.51 0.00 0.00 37.83 32.39 1s48 s LYS 263 CO 0.32 -0.59 0.74 1.21 -0.36 0.00 0.00 175.35 176.67 1s48 s ASN 264 N 1.87 6.64 -0.03 1.43 2.47 -1.26 -4.49 114.94 121.57 1s48 s ASN 264 Ca 0.58 0.65 -0.30 0.00 0.42 0.00 0.00 52.86 54.22 1s48 s ASN 264 Cb -0.26 -2.39 0.11 0.00 -1.45 0.00 0.00 41.25 37.26 1s48 s ASN 264 CO 0.21 -0.55 1.00 -1.83 -3.72 0.00 0.00 177.10 172.21 1s48 s GLU 265 N 2.83 0.72 0.03 0.43 -1.05 -1.26 -5.04 118.70 115.36 1s48 s GLU 265 Ca 0.30 -0.30 -0.19 0.00 -0.15 0.00 0.00 54.97 54.64 1s48 s GLU 265 Cb -0.15 0.31 -0.06 0.00 -0.44 0.00 0.00 34.13 33.79 1s48 s GLU 265 CO 0.11 -0.32 0.53 0.15 0.95 0.00 0.00 175.26 176.69 1s48 s LYS 266 N -2.93 4.18 0.04 -4.83 1.02 -1.26 -1.41 119.74 114.55 1s48 s LYS 266 Ca 0.08 0.65 0.08 0.00 0.02 0.00 0.00 55.97 56.79 1s48 s LYS 266 Cb -0.01 -3.27 -0.03 0.00 -0.52 0.00 0.00 37.83 34.01 1s48 s LYS 266 CO -0.06 0.56 -0.22 1.03 -0.92 0.00 0.00 175.35 175.74 1s48 s ARG 267 N -0.77 1.49 0.17 1.68 0.52 0.30 -4.93 118.95 117.41 1s48 s ARG 267 Ca 0.28 -0.97 -0.30 0.00 -0.52 0.00 0.00 55.73 54.21 1s48 s ARG 267 Cb -0.18 -1.61 -0.08 0.00 0.52 0.00 0.00 34.95 33.59 1s48 s ARG 267 CO 0.17 0.41 1.30 0.34 0.02 0.00 0.00 175.30 177.54 1s48 s ASP 268 N -1.17 6.92 -0.10 0.23 -1.08 -1.26 -1.71 116.67 118.50 1s48 s ASP 268 Ca 0.08 2.33 0.16 0.00 -0.52 0.00 0.00 52.55 54.61 1s48 s ASP 268 Cb -0.09 -2.60 0.37 0.00 -1.46 0.00 0.00 42.92 39.14 1s48 s ASP 268 CO 0.02 -0.53 1.17 1.33 0.52 0.00 0.00 175.17 177.68 1s48 n VAL 269 N 2.97 1.13 0.05 1.11 0.24 -0.72 -4.88 118.33 118.24 1s48 n VAL 269 Ca 0.07 -1.99 -0.14 0.00 -2.04 0.00 0.00 64.34 60.24 1s48 n VAL 269 Cb 0.43 0.30 -0.08 0.00 -1.47 0.00 0.00 33.84 33.02 1s48 n VAL 269 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 1s48 h SER 270 N 0.80 -1.43 -0.23 -1.34 0.87 -1.91 -0.72 113.55 109.60 1s48 h SER 270 Ca -0.09 0.17 0.06 0.00 -1.23 0.00 0.00 61.79 60.70 1s48 h SER 270 Cb 1.38 0.55 -0.06 0.00 -0.44 0.00 0.00 62.40 63.83 1s48 h SER 270 CO 0.04 -0.48 -0.18 0.44 -0.53 0.00 0.00 176.83 176.12 1s48 h ASP 271 N -0.61 -0.57 0.14 6.23 3.32 -1.96 0.46 116.42 123.43 1s48 h ASP 271 Ca 0.04 0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.21 1s48 h ASP 271 Cb 0.68 0.29 -0.05 0.00 0.22 0.00 0.00 39.33 40.47 1s48 h ASP 271 CO -0.34 -0.22 -0.53 0.44 -1.72 0.00 0.00 179.24 176.87 1s48 h ASP 272 N -0.18 -1.58 -0.43 6.45 3.32 -1.74 -2.29 116.42 119.97 1s48 h ASP 272 Ca 0.13 0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.35 1s48 h ASP 272 Cb 0.37 0.58 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 1s48 h ASP 272 CO -0.33 -0.56 0.27 -0.50 -1.72 0.00 0.00 179.24 176.39 1s48 h TRP 273 N -0.77 0.57 0.00 4.55 4.06 -0.93 -0.39 115.95 123.04 1s48 h TRP 273 Ca -0.01 0.01 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 1s48 h TRP 273 Cb 0.77 -0.19 -0.00 0.00 -1.00 0.00 0.00 29.16 28.74 1s48 h TRP 273 CO -0.45 0.38 -0.00 1.96 -3.56 0.00 0.00 178.44 176.77 1s48 h GLN 274 N 0.61 0.00 -6.23 0.49 4.20 -0.36 -3.40 115.11 110.41 1s48 h GLN 274 Ca 0.16 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.34 1s48 h GLN 274 Cb -0.03 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1s48 h GLN 274 CO -0.03 0.00 -0.25 0.00 -0.67 0.00 0.00 178.83 177.88 1s48 s ALA 275 N -4.71 4.46 0.18 3.87 0.00 -0.16 -5.02 121.76 120.38 1s48 s ALA 275 Ca -0.05 -1.69 -0.18 0.00 0.00 0.00 0.00 51.96 50.05 1s48 s ALA 275 Cb 0.15 -1.06 0.13 0.00 0.00 0.00 0.00 23.12 22.35 1s48 s ALA 275 CO 0.57 -0.53 1.63 0.78 0.00 0.00 0.00 175.76 178.21 1s48 h GLY 276 N 0.61 0.17 -7.08 0.00 0.00 -1.78 -3.42 103.07 91.59 1s48 h GLY 276 Ca -0.36 0.25 -0.42 0.00 0.00 0.00 0.00 47.33 46.80 1s48 h GLY 276 CO 0.51 -0.21 1.74 1.34 0.00 0.00 0.00 176.54 179.93 1s48 n ASP 277 N -5.39 -0.02 -3.27 0.19 -0.08 -1.23 -4.77 116.55 101.98 1s48 n ASP 277 Ca 0.04 -0.23 -0.37 0.00 -1.51 0.00 0.00 54.79 52.72 1s48 n ASP 277 Cb 0.30 -0.90 -0.01 0.00 2.34 0.00 0.00 41.12 42.85 1s48 n ASP 277 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1s48 n LEU 278 N 9.85 7.65 -4.61 -2.67 4.77 -1.26 -2.79 117.00 127.93 1s48 n LEU 278 Ca 0.63 -4.76 -0.41 0.00 -0.03 0.00 0.00 56.01 51.44 1s48 n LEU 278 Cb 0.14 -1.31 0.02 0.00 -2.33 0.00 0.00 43.42 39.93 1s48 n LEU 278 CO 0.95 1.99 0.58 1.33 -1.33 0.00 0.00 177.39 180.90 1s48 n VAL 279 N 1.34 2.53 0.34 4.08 0.24 -1.26 -4.91 118.33 120.69 1s48 n VAL 279 Ca 0.58 -0.50 0.11 0.00 -2.04 0.00 0.00 64.34 62.49 1s48 n VAL 279 Cb 0.31 -1.15 -0.05 0.00 -1.47 0.00 0.00 33.84 31.48 1s48 n VAL 279 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1s48 n VAL 280 N -0.61 0.20 -3.61 3.34 0.31 -1.26 -4.99 118.33 111.70 1s48 n VAL 280 Ca 0.10 -0.36 -0.06 0.00 -0.01 0.00 0.00 64.34 64.00 1s48 n VAL 280 Cb 0.40 0.10 -0.02 0.00 -0.91 0.00 0.00 33.84 33.41 1s48 n VAL 280 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1s48 s GLU 281 N -3.31 1.03 0.13 5.55 -1.05 -1.26 -4.51 118.70 115.28 1s48 s GLU 281 Ca -0.00 -0.48 0.09 0.00 -0.15 0.00 0.00 54.97 54.43 1s48 s GLU 281 Cb 0.13 0.41 -0.04 0.00 -0.44 0.00 0.00 34.13 34.20 1s48 s GLU 281 CO 0.83 -0.46 -0.23 0.21 0.95 0.00 0.00 175.26 176.56 1s48 s LYS 282 N -3.25 1.26 0.44 -4.83 2.20 -0.94 -4.95 119.74 109.68 1s48 s LYS 282 Ca 0.08 -1.28 -0.23 0.00 -0.36 0.00 0.00 55.97 54.18 1s48 s LYS 282 Cb -0.01 -1.58 -0.11 0.00 -1.51 0.00 0.00 37.83 34.61 1s48 s LYS 282 CO -0.04 0.36 0.75 0.54 -0.36 0.00 0.00 175.35 176.60 1s48 n ARG 283 N 0.86 0.88 -3.30 4.03 3.00 -1.26 -1.07 116.66 119.78 1s48 n ARG 283 Ca -0.18 0.32 -0.32 0.00 -0.01 0.00 0.00 57.85 57.66 1s48 n ARG 283 Cb 0.54 -1.76 -0.05 0.00 0.00 0.00 0.00 32.46 31.18 1s48 n ARG 283 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1s48 s PRO 284 N -1.85 3.86 0.09 5.56 0.04 -1.26 -4.66 135.00 136.78 1s48 s PRO 284 Ca 0.64 0.39 -0.21 0.00 0.04 0.00 0.00 61.00 61.87 1s48 s PRO 284 Cb -0.57 -2.57 -0.07 0.00 0.04 0.00 0.00 34.50 31.34 1s48 s PRO 284 CO 0.56 0.25 0.62 1.03 0.04 0.00 0.00 177.00 179.50 1s48 s ARG 285 N -2.94 4.29 -0.33 4.56 0.52 -1.26 -4.88 118.95 118.91 1s48 s ARG 285 Ca 0.49 0.84 -0.20 0.00 -0.52 0.00 0.00 55.73 56.34 1s48 s ARG 285 Cb -0.11 -3.24 -0.01 0.00 0.52 0.00 0.00 34.95 32.11 1s48 s ARG 285 CO 0.21 0.62 0.59 0.14 0.02 0.00 0.00 175.30 176.89 1s48 s VAL 286 N -1.12 4.95 -0.26 3.52 -7.23 -1.26 -0.43 120.40 118.58 1s48 s VAL 286 Ca 0.31 0.64 -0.19 0.00 -1.81 0.00 0.00 61.98 60.92 1s48 s VAL 286 Cb -0.20 -4.00 -0.02 0.00 0.56 0.00 0.00 36.38 32.71 1s48 s VAL 286 CO 0.21 -0.20 0.59 -0.63 -0.31 0.00 0.00 175.10 174.75 1s48 s ILE 287 N 2.57 5.01 -0.17 -0.62 1.01 0.05 -4.79 121.20 124.27 1s48 s ILE 287 Ca 0.23 1.05 -0.02 0.00 0.00 0.00 0.00 60.65 61.90 1s48 s ILE 287 Cb -0.15 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 1s48 s ILE 287 CO 0.13 0.05 -0.07 -1.10 0.00 0.00 0.00 174.94 173.95 1s48 s GLN 288 N 2.43 3.46 0.00 2.79 -0.21 -1.26 -1.76 119.66 125.12 1s48 s GLN 288 Ca 0.24 -0.62 -0.13 0.00 0.02 0.00 0.00 55.36 54.88 1s48 s GLN 288 Cb -0.16 -2.85 0.02 0.00 1.00 0.00 0.00 33.01 31.03 1s48 s GLN 288 CO 0.09 0.08 0.27 1.52 -2.12 0.00 0.00 175.29 175.12 1s48 s TYR 289 N 0.75 -0.11 0.94 0.91 -0.85 -0.41 0.43 117.35 119.01 1s48 s TYR 289 Ca -0.03 0.11 -0.16 0.00 -0.52 0.00 0.00 57.07 56.47 1s48 s TYR 289 Cb -0.15 0.06 0.24 0.00 0.38 0.00 0.00 41.96 42.49 1s48 s TYR 289 CO 0.02 -0.39 0.65 -2.30 -1.52 0.00 0.00 175.55 172.00 1s48 n PRO 290 N 1.15 -3.42 -1.45 -3.49 -0.02 -1.26 -0.82 135.00 125.69 1s48 n PRO 290 Ca -0.21 -1.07 -0.36 0.00 -2.02 0.00 0.00 63.50 59.84 1s48 n PRO 290 Cb 0.57 -1.23 0.07 0.00 -0.02 0.00 0.00 33.50 32.89 1s48 n PRO 290 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1s48 n GLU 291 N -4.30 2.72 -4.31 -0.52 2.13 -1.26 -4.72 120.64 110.37 1s48 n GLU 291 Ca 0.10 -3.35 -0.38 0.00 0.66 0.00 0.00 57.16 54.19 1s48 n GLU 291 Cb 0.41 -2.29 -0.05 0.00 0.27 0.00 0.00 31.44 29.78 1s48 n GLU 291 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1s48 n ALA 292 N -0.85 -1.22 0.02 4.31 0.00 -1.26 -4.03 120.51 117.49 1s48 n ALA 292 Ca 0.61 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1s48 n ALA 292 Cb 0.59 -2.94 0.00 0.00 0.00 0.00 0.00 19.45 17.09 1s48 n ALA 292 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1s48 n LYS 293 N -4.16 0.00 0.16 0.00 5.02 -1.26 -4.59 118.16 113.33 1s48 n LYS 293 Ca 0.10 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.40 1s48 n LYS 293 Cb 0.47 0.00 0.26 0.00 -0.02 0.00 0.00 35.03 35.74 1s48 n LYS 293 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1s48 h THR 294 N 0.00 1.26 0.29 -0.18 2.02 -1.95 0.16 112.91 114.51 1s48 h THR 294 Ca 0.00 -1.78 -0.01 0.00 0.77 0.00 0.00 66.41 65.38 1s48 h THR 294 Cb 0.00 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1s48 h THR 294 CO 0.00 0.49 -0.14 0.03 0.37 0.00 0.00 175.52 176.27 1s48 h ARG 295 N 0.00 -0.37 -0.15 6.66 3.08 -1.85 -1.86 114.38 119.88 1s48 h ARG 295 Ca -0.01 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1s48 h ARG 295 Cb 0.95 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 1s48 h ARG 295 CO 0.07 -0.04 0.05 -0.07 -1.07 0.00 0.00 179.97 178.91 1s48 h LEU 296 N -0.91 0.19 0.12 3.04 4.07 -1.81 0.51 115.31 120.52 1s48 h LEU 296 Ca -0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 1s48 h LEU 296 Cb 0.51 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.21 1s48 h LEU 296 CO 0.07 0.19 -0.06 0.00 -1.08 0.00 0.00 178.44 177.56 1s48 h ALA 297 N 1.84 -0.16 0.12 1.53 0.00 -0.66 -0.15 119.26 121.78 1s48 h ALA 297 Ca 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1s48 h ALA 297 Cb 0.07 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1s48 h ALA 297 CO -0.00 -0.45 -0.06 0.82 0.00 0.00 0.00 179.25 179.56 1s48 h ILE 298 N -0.43 1.03 -0.84 0.00 2.04 -1.00 -3.12 117.51 115.18 1s48 h ILE 298 Ca -0.02 -0.61 0.06 0.00 1.00 0.00 0.00 64.86 65.29 1s48 h ILE 298 Cb 0.35 1.41 -0.06 0.00 -0.74 0.00 0.00 36.82 37.78 1s48 h ILE 298 CO 0.03 0.15 0.52 0.74 0.00 0.00 0.00 178.15 179.59 1s48 h THR 299 N -0.44 1.06 -0.95 -0.27 2.02 -0.97 -2.85 112.91 110.51 1s48 h THR 299 Ca -0.02 -0.33 0.04 0.00 0.77 0.00 0.00 66.41 66.87 1s48 h THR 299 Cb 0.36 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.72 1s48 h THR 299 CO 0.03 0.18 0.62 0.50 0.37 0.00 0.00 175.52 177.22 1s48 h LYS 300 N 0.97 1.16 -1.10 6.66 3.64 -0.99 0.16 116.57 127.07 1s48 h LYS 300 Ca 0.36 -0.07 -0.28 0.00 -1.27 0.00 0.00 60.65 59.39 1s48 h LYS 300 Cb 0.14 -0.26 -0.15 0.00 -0.41 0.00 0.00 32.23 31.54 1s48 h LYS 300 CO -0.16 0.77 0.35 1.33 -2.27 0.00 0.00 179.45 179.47 1s48 n VAL 301 N -4.44 2.26 0.00 2.00 0.24 -1.08 -1.69 118.33 115.63 1s48 n VAL 301 Ca 0.13 -1.12 0.00 0.00 -2.04 0.00 0.00 64.34 61.31 1s48 n VAL 301 Cb 0.10 -0.86 0.00 0.00 -1.47 0.00 0.00 33.84 31.61 1s48 n VAL 301 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1s48 n TYR 303 N -0.20 0.00 -0.20 6.34 9.36 0.04 -3.81 117.16 128.69 1s48 n TYR 303 Ca 0.30 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.47 1s48 n TYR 303 Cb 0.98 0.00 0.11 0.00 -0.63 0.00 0.00 39.34 39.80 1s48 n TYR 303 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 1s48 h ASN 304 N 1.17 0.95 0.06 2.98 4.21 -1.87 0.31 115.58 123.40 1s48 h ASN 304 Ca 0.00 -0.20 -0.00 0.00 1.21 0.00 0.00 56.30 57.31 1s48 h ASN 304 Cb 0.00 -0.25 0.00 0.00 -1.12 0.00 0.00 38.32 36.95 1s48 h ASN 304 CO 0.00 0.93 -0.03 -0.25 -1.29 0.00 0.00 177.43 176.79 1s48 h TRP 305 N 0.95 -0.08 0.02 1.19 2.91 -1.93 -1.77 115.95 117.25 1s48 h TRP 305 Ca 0.20 -0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.24 1s48 h TRP 305 Cb 0.36 0.03 -0.03 0.00 -0.51 0.00 0.00 29.16 29.01 1s48 h TRP 305 CO 0.02 0.47 -0.15 0.28 -1.03 0.00 0.00 178.44 178.04 1s48 h VAL 306 N -0.92 0.65 -0.06 2.65 2.07 -1.89 -0.26 116.25 118.48 1s48 h VAL 306 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1s48 h VAL 306 Cb 0.59 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1s48 h VAL 306 CO 0.01 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.89 1s48 n LYS 307 N -5.28 1.16 -3.70 1.57 4.01 0.11 -4.39 118.16 111.65 1s48 n LYS 307 Ca -0.06 -0.25 -0.21 0.00 -0.51 0.00 0.00 58.31 57.29 1s48 n LYS 307 Cb 0.19 -1.16 -0.07 0.00 -0.51 0.00 0.00 35.03 33.49 1s48 n LYS 307 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1s48 n GLN 308 N -0.40 -0.95 0.00 1.97 1.13 -0.11 -4.85 117.38 114.18 1s48 n GLN 308 Ca 0.07 0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.19 1s48 n GLN 308 Cb 0.08 -2.44 0.00 0.00 0.11 0.00 0.00 30.24 28.00 1s48 n GLN 308 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1s48 n GLN 309 N -3.35 0.00 -1.59 -1.09 1.13 -0.74 -3.48 117.38 108.26 1s48 n GLN 309 Ca -0.20 0.00 -0.44 0.00 -1.94 0.00 0.00 57.00 54.43 1s48 n GLN 309 Cb 0.45 -0.54 -0.03 0.00 0.11 0.00 0.00 30.24 30.23 1s48 n GLN 309 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 1s48 n PRO 310 N -0.04 1.96 -1.99 -1.09 -0.02 -1.26 -4.77 135.00 127.77 1s48 n PRO 310 Ca 0.00 0.55 -0.43 0.00 -2.02 0.00 0.00 63.50 61.60 1s48 n PRO 310 Cb 0.00 -3.16 -0.03 0.00 -0.02 0.00 0.00 33.50 30.29 1s48 n PRO 310 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1s48 s VAL 311 N 7.98 3.50 -0.78 -1.45 1.01 -1.23 -4.80 120.40 124.63 1s48 s VAL 311 Ca 1.01 0.53 0.08 0.00 0.00 0.00 0.00 61.98 63.60 1s48 s VAL 311 Cb -0.38 -3.59 0.15 0.00 0.00 0.00 0.00 36.38 32.55 1s48 s VAL 311 CO 0.37 -0.32 0.99 1.33 0.00 0.00 0.00 175.10 177.47 1s48 n VAL 312 N 7.01 0.57 -3.59 2.92 0.24 -1.26 -4.95 118.33 119.26 1s48 n VAL 312 Ca 0.22 -0.78 -0.39 0.00 -2.04 0.00 0.00 64.34 61.34 1s48 n VAL 312 Cb 0.46 0.78 -0.11 0.00 -1.47 0.00 0.00 33.84 33.50 1s48 n VAL 312 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1s48 s ILE 313 N -0.85 5.02 -0.25 1.34 1.01 -1.26 -4.95 121.20 121.25 1s48 s ILE 313 Ca 0.13 -0.24 -0.43 0.00 0.00 0.00 0.00 60.65 60.12 1s48 s ILE 313 Cb 0.08 -3.54 -0.19 0.00 0.01 0.00 0.00 42.46 38.82 1s48 s ILE 313 CO 0.10 0.06 1.45 -2.65 0.00 0.00 0.00 174.94 173.91 1s48 n PRO 314 N 5.05 0.35 -1.97 2.79 -0.02 -1.26 -0.85 135.00 139.09 1s48 n PRO 314 Ca -0.13 0.13 -0.20 0.00 -2.02 0.00 0.00 63.50 61.28 1s48 n PRO 314 Cb 0.50 -1.68 -0.05 0.00 -0.02 0.00 0.00 33.50 32.25 1s48 n PRO 314 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s48 n GLY 315 N 3.18 0.74 3.55 -1.23 0.00 -1.26 -4.61 105.19 105.56 1s48 n GLY 315 Ca 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 1s48 n GLY 315 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1s48 s TYR 316 N -2.81 1.94 -2.00 1.61 5.04 -0.03 0.24 117.35 121.34 1s48 s TYR 316 Ca 0.00 0.38 0.01 0.00 -2.44 0.00 0.00 57.07 55.01 1s48 s TYR 316 Cb 0.00 -4.31 0.04 0.00 0.35 0.00 0.00 41.96 38.04 1s48 s TYR 316 CO 0.00 -2.15 1.03 0.39 -1.34 0.00 0.00 175.55 173.47 1s48 n GLU 317 N 9.20 1.01 -0.34 4.97 4.71 -0.07 -4.44 120.64 135.68 1s48 n GLU 317 Ca 0.17 -0.02 0.08 0.00 -0.01 0.00 0.00 57.16 57.38 1s48 n GLU 317 Cb 0.50 -1.01 0.25 0.00 -1.01 0.00 0.00 31.44 30.17 1s48 n GLU 317 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 1s48 h GLY 318 N 5.97 1.60 -2.87 0.62 0.00 -1.88 -2.10 103.07 104.40 1s48 h GLY 318 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1s48 h GLY 318 CO 0.00 0.08 0.00 0.28 0.00 0.00 0.00 176.54 176.90 1s48 n LYS 319 N -4.70 3.27 -3.16 4.80 5.02 -1.26 -4.92 118.16 117.20 1s48 n LYS 319 Ca 0.19 -2.71 -0.41 0.00 -2.02 0.00 0.00 58.31 53.36 1s48 n LYS 319 Cb 0.41 -1.75 -0.07 0.00 -0.02 0.00 0.00 35.03 33.59 1s48 n LYS 319 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1s48 s THR 320 N -1.52 4.98 0.62 -0.18 2.01 -0.79 -1.85 115.64 118.90 1s48 s THR 320 Ca 0.49 0.75 -0.18 0.00 0.31 0.00 0.00 61.69 63.07 1s48 s THR 320 Cb 0.29 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.79 1s48 s THR 320 CO 0.28 -0.11 0.75 -2.65 -0.69 0.00 0.00 174.62 172.20 1s48 n PRO 321 N 5.79 0.64 0.13 4.92 -0.02 -1.26 -4.87 135.00 140.32 1s48 n PRO 321 Ca -0.02 0.26 0.01 0.00 -2.02 0.00 0.00 63.50 61.72 1s48 n PRO 321 Cb 0.49 -1.97 0.05 0.00 -0.02 0.00 0.00 33.50 32.05 1s48 n PRO 321 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1s48 h LEU 322 N 0.20 0.00 -0.62 2.45 6.46 -1.96 -3.36 115.31 118.49 1s48 h LEU 322 Ca -0.47 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.29 1s48 h LEU 322 Cb 1.37 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.30 1s48 h LEU 322 CO 0.48 0.59 0.00 2.22 -0.62 0.00 0.00 178.44 181.11 1s48 n PHE 323 N -3.32 0.00 -1.83 1.25 1.16 -1.26 -3.43 117.46 110.03 1s48 n PHE 323 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.59 1s48 n PHE 323 Cb 0.74 -0.05 0.00 0.00 -1.61 0.00 0.00 39.48 38.56 1s48 n PHE 323 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 1s48 n ASN 324 N -0.12 0.00 -0.01 5.98 0.23 -1.26 -4.78 115.26 115.30 1s48 n ASN 324 Ca 0.00 -1.05 -0.17 0.00 -0.53 0.00 0.00 54.58 52.83 1s48 n ASN 324 Cb 0.12 -0.01 -0.10 0.00 -2.08 0.00 0.00 39.78 37.71 1s48 n ASN 324 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1s48 h ILE 325 N 3.55 1.42 0.00 1.53 2.10 -1.70 -3.25 117.51 121.15 1s48 h ILE 325 Ca 0.00 -1.97 -0.01 0.00 1.08 0.00 0.00 64.86 63.97 1s48 h ILE 325 Cb 1.02 2.47 -0.00 0.00 -1.09 0.00 0.00 36.82 39.22 1s48 h ILE 325 CO 0.00 0.58 -0.03 -0.26 -1.08 0.00 0.00 178.15 177.35 1s48 h PHE 326 N -0.07 0.00 -0.21 2.19 0.05 -1.84 -0.86 116.94 116.21 1s48 h PHE 326 Ca -0.06 0.00 -0.07 0.00 3.82 0.00 0.00 57.97 61.67 1s48 h PHE 326 Cb 1.22 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 39.16 1s48 h PHE 326 CO 0.14 0.03 -0.13 -0.44 -0.18 0.00 0.00 178.31 177.73 1s48 h ASP 327 N 0.00 0.47 1.09 2.17 3.32 -1.72 0.34 116.42 122.09 1s48 h ASP 327 Ca -0.00 -0.43 -0.07 0.00 0.02 0.00 0.00 57.03 56.55 1s48 h ASP 327 Cb 0.28 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1s48 h ASP 327 CO 0.00 0.80 -0.34 0.07 -1.72 0.00 0.00 179.24 178.06 1s48 h LYS 328 N 0.15 0.00 0.01 3.56 2.10 -1.49 -2.76 116.57 118.13 1s48 h LYS 328 Ca 0.04 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.49 1s48 h LYS 328 Cb 0.63 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.94 1s48 h LYS 328 CO 0.04 0.34 -0.94 0.28 -2.00 0.00 0.00 179.45 177.16 1s48 h VAL 329 N 0.00 1.63 -0.53 0.07 2.07 -0.94 -3.01 116.25 115.54 1s48 h VAL 329 Ca -0.00 -3.07 -0.05 0.00 0.82 0.00 0.00 66.70 64.39 1s48 h VAL 329 Cb 0.97 2.69 -0.02 0.00 -1.52 0.00 0.00 31.29 33.40 1s48 h VAL 329 CO 0.04 0.88 0.11 -0.09 0.02 0.00 0.00 177.57 178.53 1s48 h ARG 330 N 0.02 0.83 0.08 1.57 9.65 -0.10 -1.52 114.38 124.91 1s48 h ARG 330 Ca -0.02 -0.18 0.01 0.00 -1.10 0.00 0.00 59.98 58.69 1s48 h ARG 330 Cb 1.63 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 30.06 1s48 h ARG 330 CO 0.13 0.76 -0.41 0.87 2.80 0.00 0.00 179.97 184.12 1s48 h LYS 331 N 0.79 -0.55 -0.73 0.20 1.79 -1.35 -0.21 116.57 116.51 1s48 h LYS 331 Ca 0.17 0.04 0.12 0.00 -2.18 0.00 0.00 60.65 58.80 1s48 h LYS 331 Cb 0.32 0.12 -0.08 0.00 -1.58 0.00 0.00 32.23 31.01 1s48 h LYS 331 CO 0.00 -0.36 0.32 0.93 -1.08 0.00 0.00 179.45 179.26 1s48 h GLU 332 N -0.57 0.50 -0.25 3.15 5.08 -1.50 -1.33 114.58 119.67 1s48 h GLU 332 Ca -0.00 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1s48 h GLU 332 Cb 0.58 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 1s48 h GLU 332 CO -0.23 0.33 -0.08 2.35 -1.00 0.00 0.00 179.01 180.38 1s48 h TRP 333 N 0.52 -0.17 0.00 4.33 2.91 -0.77 -0.35 115.95 122.42 1s48 h TRP 333 Ca 0.38 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.43 1s48 h TRP 333 Cb 0.51 0.12 0.00 0.00 -0.51 0.00 0.00 29.16 29.27 1s48 h TRP 333 CO -0.14 -0.13 0.00 -0.44 -1.03 0.00 0.00 178.44 176.70 1s48 h ASP 334 N -0.02 0.00 -0.32 2.65 3.32 0.09 -2.75 116.42 119.39 1s48 h ASP 334 Ca 0.12 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 1s48 h ASP 334 Cb 0.21 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 1s48 h ASP 334 CO -0.27 0.00 0.09 -1.54 -1.72 0.00 0.00 179.24 175.80 1s48 n SER 335 N -2.51 3.20 -4.27 6.45 3.41 -0.14 -4.85 113.62 114.91 1s48 n SER 335 Ca -0.01 -2.51 -0.16 0.00 -0.26 0.00 0.00 58.87 55.94 1s48 n SER 335 Cb 0.12 -0.61 -0.10 0.00 -0.26 0.00 0.00 64.21 63.36 1s48 n SER 335 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1s48 s PHE 336 N -1.70 1.37 -0.12 7.33 0.08 -1.04 -5.07 117.98 118.84 1s48 s PHE 336 Ca 0.25 -0.68 -0.26 0.00 0.12 0.00 0.00 56.93 56.36 1s48 s PHE 336 Cb 0.20 -0.69 -0.27 0.00 -0.57 0.00 0.00 43.02 41.69 1s48 s PHE 336 CO 0.06 0.15 0.75 -0.91 -0.10 0.00 0.00 175.22 175.17 1s48 h ASN 337 N 2.89 0.12 -2.07 1.36 4.21 -1.88 -3.40 115.58 116.80 1s48 h ASN 337 Ca -0.37 -0.95 -0.56 0.00 1.21 0.00 0.00 56.30 55.63 1s48 h ASN 337 Cb 1.20 -0.04 -0.40 0.00 -1.12 0.00 0.00 38.32 37.96 1s48 h ASN 337 CO 0.60 1.15 -0.96 1.21 -1.29 0.00 0.00 177.43 178.15 1s48 n GLU 338 N -4.46 1.43 -1.53 0.81 2.13 -1.26 -5.08 120.64 112.68 1s48 n GLU 338 Ca -0.13 -3.75 -0.44 0.00 0.66 0.00 0.00 57.16 53.49 1s48 n GLU 338 Cb 0.59 -1.65 -0.01 0.00 0.27 0.00 0.00 31.44 30.64 1s48 n GLU 338 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1s48 n PRO 339 N 0.92 0.92 -3.80 5.31 -0.02 -1.26 -0.29 135.00 136.79 1s48 n PRO 339 Ca 0.25 0.33 -0.13 0.00 -2.02 0.00 0.00 63.50 61.93 1s48 n PRO 339 Cb 0.51 -1.63 -0.11 0.00 -0.02 0.00 0.00 33.50 32.26 1s48 n PRO 339 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1s48 s VAL 340 N -1.16 0.02 -0.08 -1.45 0.11 -0.65 -4.69 120.40 112.49 1s48 s VAL 340 Ca 0.61 -0.14 0.03 0.00 -2.93 0.00 0.00 61.98 59.54 1s48 s VAL 340 Cb -0.71 -0.38 -0.02 0.00 -1.53 0.00 0.00 36.38 33.74 1s48 s VAL 340 CO 0.59 -0.08 -0.16 0.00 -3.33 0.00 0.00 175.10 172.11 1s48 s ALA 341 N -0.23 2.53 -0.13 1.54 0.00 0.00 -2.31 121.76 123.17 1s48 s ALA 341 Ca -0.03 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 50.99 1s48 s ALA 341 Cb -0.03 -0.99 0.01 0.00 0.00 0.00 0.00 23.12 22.11 1s48 s ALA 341 CO 0.01 0.41 -0.20 0.08 0.00 0.00 0.00 175.76 176.06 1s48 s VAL 342 N -0.20 1.90 0.21 0.00 1.01 -0.65 0.11 120.40 122.78 1s48 s VAL 342 Ca -0.00 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 1s48 s VAL 342 Cb -0.13 -1.69 -0.06 0.00 0.00 0.00 0.00 36.38 34.50 1s48 s VAL 342 CO 0.03 0.52 0.49 -0.44 0.00 0.00 0.00 175.10 175.70 1s48 s SER 343 N 0.81 6.55 -0.20 3.32 0.01 -0.98 -1.07 113.70 122.13 1s48 s SER 343 Ca -0.08 0.77 -0.15 0.00 1.31 0.00 0.00 55.95 57.79 1s48 s SER 343 Cb -0.16 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 63.87 1s48 s SER 343 CO -0.01 -0.05 0.37 -0.36 0.41 0.00 0.00 173.24 173.60 1s48 s PHE 344 N -1.81 3.37 -0.47 2.43 2.99 0.43 -4.46 117.98 120.46 1s48 s PHE 344 Ca 0.45 0.57 0.09 0.00 0.00 0.00 0.00 56.93 58.04 1s48 s PHE 344 Cb -0.11 -2.49 0.34 0.00 0.00 0.00 0.00 43.02 40.75 1s48 s PHE 344 CO 0.24 0.01 0.80 -0.25 -0.00 0.00 0.00 175.22 176.02 1s48 n ASP 345 N 4.42 2.36 -4.72 1.36 9.92 -1.26 -4.46 116.55 124.17 1s48 n ASP 345 Ca -0.09 -3.28 -0.42 0.00 -0.53 0.00 0.00 54.79 50.47 1s48 n ASP 345 Cb 0.51 -0.60 -0.03 0.00 -0.64 0.00 0.00 41.12 40.36 1s48 n ASP 345 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1s48 s THR 346 N -3.16 3.47 -0.25 -3.53 2.01 -1.26 -0.64 115.64 112.28 1s48 s THR 346 Ca 0.43 1.10 -0.29 0.00 0.31 0.00 0.00 61.69 63.24 1s48 s THR 346 Cb 0.30 -3.70 -0.00 0.00 0.01 0.00 0.00 72.50 69.11 1s48 s THR 346 CO -0.10 0.11 1.28 -0.75 -0.69 0.00 0.00 174.62 174.47 1s48 s LYS 347 N 0.71 4.04 -1.17 4.92 2.20 0.55 -3.95 119.74 127.05 1s48 s LYS 347 Ca 0.61 1.41 -0.14 0.00 -0.36 0.00 0.00 55.97 57.48 1s48 s LYS 347 Cb -0.35 -3.83 -0.02 0.00 -1.51 0.00 0.00 37.83 32.12 1s48 s LYS 347 CO 0.32 -0.96 0.77 0.00 -0.36 0.00 0.00 175.35 175.12 1s48 n ALA 348 N 7.23 -2.42 -0.09 3.13 0.00 -1.26 -4.76 120.51 122.33 1s48 n ALA 348 Ca 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 53.44 53.38 1s48 n ALA 348 Cb 0.46 -3.86 -0.02 0.00 0.00 0.00 0.00 19.45 16.03 1s48 n ALA 348 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1s48 n TRP 349 N -4.08 -0.10 -0.33 0.00 -0.00 -1.25 -0.33 117.44 111.34 1s48 n TRP 349 Ca -0.14 0.28 0.25 0.00 -0.00 0.00 0.00 57.50 57.89 1s48 n TRP 349 Cb 0.61 -0.41 0.48 0.00 -0.00 0.00 0.00 31.31 32.00 1s48 n TRP 349 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 177.69 177.25 1s48 h ASP 350 N 0.00 0.45 0.52 5.87 5.19 -1.90 1.35 116.42 127.90 1s48 h ASP 350 Ca 0.04 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.65 1s48 h ASP 350 Cb 0.09 0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.77 1s48 h ASP 350 CO -0.21 -0.19 0.00 0.41 -3.12 0.00 0.00 179.24 176.13 1s48 n THR 351 N -5.10 1.01 0.69 0.35 -1.04 0.55 -0.07 114.28 110.67 1s48 n THR 351 Ca 0.32 0.28 0.07 0.00 -2.04 0.00 0.00 64.05 62.68 1s48 n THR 351 Cb 1.02 -1.13 -0.07 0.00 -1.82 0.00 0.00 70.33 68.33 1s48 n THR 351 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s48 n GLN 352 N -1.80 2.10 -1.98 -2.82 3.00 0.46 -4.93 117.38 111.41 1s48 n GLN 352 Ca 0.03 -0.14 -0.42 0.00 -0.01 0.00 0.00 57.00 56.45 1s48 n GLN 352 Cb 0.17 -1.20 -0.03 0.00 0.00 0.00 0.00 30.24 29.18 1s48 n GLN 352 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1s48 s VAL 353 N -2.28 2.96 0.79 5.09 1.01 -1.14 -4.75 120.40 122.07 1s48 s VAL 353 Ca 0.07 0.57 -0.05 0.00 0.00 0.00 0.00 61.98 62.56 1s48 s VAL 353 Cb 0.11 -3.36 0.15 0.00 0.00 0.00 0.00 36.38 33.28 1s48 s VAL 353 CO 0.56 0.02 1.09 -0.89 0.00 0.00 0.00 175.10 175.88 1s48 s THR 354 N 1.87 2.10 0.06 3.92 2.01 -1.26 -3.90 115.64 120.44 1s48 s THR 354 Ca 0.71 -0.41 -0.16 0.00 0.31 0.00 0.00 61.69 62.13 1s48 s THR 354 Cb -0.40 -2.69 -0.17 0.00 0.01 0.00 0.00 72.50 69.25 1s48 s THR 354 CO 0.31 0.00 1.26 0.28 -0.69 0.00 0.00 174.62 175.78 1s48 h SER 355 N -0.86 0.72 0.21 3.53 0.02 -1.86 -2.63 113.55 112.68 1s48 h SER 355 Ca -0.39 -0.63 -0.04 0.00 -0.84 0.00 0.00 61.79 59.89 1s48 h SER 355 Cb 1.26 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 1s48 h SER 355 CO 0.40 1.24 -0.17 0.11 -1.14 0.00 0.00 176.83 177.27 1s48 h LYS 356 N 0.25 0.00 -0.33 3.45 1.57 -1.95 0.17 116.57 119.73 1s48 h LYS 356 Ca -0.04 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1s48 h LYS 356 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1s48 h LYS 356 CO 0.12 0.17 -0.07 -0.44 -0.57 0.00 0.00 179.45 178.66 1s48 h ASP 357 N 0.00 0.63 -0.40 0.86 5.19 -1.91 0.42 116.42 121.21 1s48 h ASP 357 Ca -0.00 -0.36 -0.08 0.00 -0.62 0.00 0.00 57.03 55.97 1s48 h ASP 357 Cb 0.32 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.64 1s48 h ASP 357 CO 0.02 0.84 -0.04 -0.07 -3.12 0.00 0.00 179.24 176.87 1s48 h LEU 358 N 0.41 0.79 -0.60 1.55 3.38 -0.91 -2.41 115.31 117.52 1s48 h LEU 358 Ca 0.08 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 1s48 h LEU 358 Cb 0.55 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1s48 h LEU 358 CO 0.03 0.88 -0.01 1.56 0.09 0.00 0.00 178.44 180.99 1s48 h GLN 359 N 0.75 1.07 -0.51 1.13 4.20 -0.43 -1.60 115.11 119.71 1s48 h GLN 359 Ca 0.14 -0.34 -0.03 0.00 0.06 0.00 0.00 58.65 58.48 1s48 h GLN 359 Cb 0.51 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 1s48 h GLN 359 CO 0.03 1.05 0.20 1.25 -0.67 0.00 0.00 178.83 180.68 1s48 h LEU 360 N 0.97 0.67 -0.41 1.46 7.12 -0.65 -0.68 115.31 123.78 1s48 h LEU 360 Ca 0.17 -0.08 -0.18 0.00 0.13 0.00 0.00 57.88 57.92 1s48 h LEU 360 Cb 0.57 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.51 1s48 h LEU 360 CO 0.03 0.61 -0.79 0.40 -0.13 0.00 0.00 178.44 178.56 1s48 h ILE 361 N 0.73 1.47 -0.59 4.05 5.03 -1.20 -2.38 117.51 124.61 1s48 h ILE 361 Ca 0.18 -2.43 0.04 0.00 -0.12 0.00 0.00 64.86 62.53 1s48 h ILE 361 Cb 0.15 2.32 -0.05 0.00 -3.03 0.00 0.00 36.82 36.22 1s48 h ILE 361 CO -0.02 0.71 0.33 1.23 -0.68 0.00 0.00 178.15 179.72 1s48 h GLY 362 N 1.79 0.85 0.94 5.37 0.00 -0.17 0.35 103.07 112.19 1s48 h GLY 362 Ca -0.03 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 1s48 h GLY 362 CO 0.12 0.16 -0.48 0.83 0.00 0.00 0.00 176.54 177.17 1s48 h GLU 363 N 0.63 -1.24 -1.06 4.80 4.39 -1.07 -0.50 114.58 120.53 1s48 h GLU 363 Ca 0.26 0.08 0.28 0.00 0.34 0.00 0.00 59.36 60.32 1s48 h GLU 363 Cb 0.12 0.28 -0.08 0.00 -0.10 0.00 0.00 28.75 28.97 1s48 h GLU 363 CO -0.15 -0.83 0.70 0.82 -1.16 0.00 0.00 179.01 178.39 1s48 h ILE 364 N -1.29 0.50 -0.27 3.13 2.04 -1.07 0.30 117.51 120.86 1s48 h ILE 364 Ca -0.13 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 1s48 h ILE 364 Cb 1.00 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1s48 h ILE 364 CO 0.19 0.06 -0.04 1.56 0.00 0.00 0.00 178.15 179.92 1s48 h GLN 365 N 0.32 0.49 0.00 2.37 4.20 0.31 -2.68 115.11 120.13 1s48 h GLN 365 Ca 0.58 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 59.12 1s48 h GLN 365 Cb 1.63 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.38 1s48 h GLN 365 CO -0.24 0.69 0.00 0.87 -0.67 0.00 0.00 178.83 179.48 1s48 h LYS 366 N 0.26 0.00 -0.08 1.46 1.57 0.12 -1.99 116.57 117.91 1s48 h LYS 366 Ca 0.07 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.67 1s48 h LYS 366 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1s48 h LYS 366 CO 0.02 0.00 -0.72 -0.92 -0.57 0.00 0.00 179.45 177.26 1s48 h TYR 367 N 0.00 0.51 0.00 -1.35 3.20 -0.99 -3.27 116.97 115.07 1s48 h TYR 367 Ca 0.00 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.64 1s48 h TYR 367 Cb 0.17 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.36 1s48 h TYR 367 CO 0.00 0.97 -1.17 0.66 -1.64 0.00 0.00 178.16 176.99 1s48 n TYR 368 N -3.83 0.27 -3.83 -3.82 4.02 -0.80 0.40 117.16 109.55 1s48 n TYR 368 Ca -0.04 0.08 -0.35 0.00 -0.01 0.00 0.00 57.90 57.58 1s48 n TYR 368 Cb 0.70 -0.46 -0.05 0.00 -0.02 0.00 0.00 39.34 39.51 1s48 n TYR 368 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1s48 s TYR 369 N -3.24 3.58 0.54 -0.72 1.51 -0.88 0.31 117.35 118.44 1s48 s TYR 369 Ca 0.02 0.49 -0.22 0.00 -1.01 0.00 0.00 57.07 56.35 1s48 s TYR 369 Cb 0.14 -1.93 -0.05 0.00 -0.11 0.00 0.00 41.96 40.01 1s48 s TYR 369 CO 0.82 0.65 1.33 1.63 -1.11 0.00 0.00 175.55 178.88 1s48 n LYS 370 N 1.26 1.67 -0.38 -0.62 5.02 -0.71 -4.31 118.16 120.10 1s48 n LYS 370 Ca -0.13 0.62 0.32 0.00 -2.02 0.00 0.00 58.31 57.10 1s48 n LYS 370 Cb 0.53 -2.54 0.64 0.00 -0.02 0.00 0.00 35.03 33.64 1s48 n LYS 370 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1s48 h LYS 371 N 1.44 0.16 -0.39 1.97 1.57 -1.89 0.32 116.57 119.74 1s48 h LYS 371 Ca -0.50 -0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.36 1s48 h LYS 371 Cb 1.31 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.56 1s48 h LYS 371 CO 0.57 0.11 0.28 1.05 -0.57 0.00 0.00 179.45 180.88 1s48 h GLU 372 N 0.17 0.08 -0.00 3.15 4.11 -1.97 -2.15 114.58 117.96 1s48 h GLU 372 Ca 0.66 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.09 1s48 h GLU 372 Cb 2.17 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.40 1s48 h GLU 372 CO -0.21 0.05 -0.60 0.91 0.07 0.00 0.00 179.01 179.23 1s48 n TRP 373 N -4.44 0.00 0.19 2.06 7.02 0.10 -4.36 117.44 118.01 1s48 n TRP 373 Ca 0.06 0.00 0.17 0.00 -1.02 0.00 0.00 57.50 56.71 1s48 n TRP 373 Cb 0.41 -0.15 0.80 0.00 -2.42 0.00 0.00 31.31 29.95 1s48 n TRP 373 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1s48 h HIS 374 N 0.32 0.00 0.00 -5.99 3.86 -1.43 -0.47 115.15 111.44 1s48 h HIS 374 Ca 0.00 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.99 1s48 h HIS 374 Cb 0.52 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.95 1s48 h HIS 374 CO 0.00 0.00 -1.16 -0.22 0.86 0.00 0.00 177.93 177.41 1s48 h LYS 375 N 0.00 0.00 -0.32 2.45 3.64 -1.77 -2.11 116.57 118.47 1s48 h LYS 375 Ca 0.10 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1s48 h LYS 375 Cb 0.51 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1s48 h LYS 375 CO -0.00 0.82 0.18 0.35 -2.27 0.00 0.00 179.45 178.53 1s48 h PHE 376 N 0.00 0.43 -0.27 1.91 3.57 -1.20 -0.40 116.94 120.98 1s48 h PHE 376 Ca -0.08 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 1s48 h PHE 376 Cb 1.80 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 40.39 1s48 h PHE 376 CO 0.00 0.33 0.11 0.82 -2.23 0.00 0.00 178.31 177.34 1s48 h ILE 377 N 0.40 1.17 -0.38 1.41 2.04 -1.37 -1.28 117.51 119.51 1s48 h ILE 377 Ca 0.11 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 1s48 h ILE 377 Cb 0.03 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1s48 h ILE 377 CO -0.02 0.18 0.22 0.44 0.00 0.00 0.00 178.15 178.97 1s48 h ASP 378 N 0.28 0.46 0.25 1.72 5.19 -1.21 0.15 116.42 123.27 1s48 h ASP 378 Ca 0.09 -0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1s48 h ASP 378 Cb 0.18 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 1s48 h ASP 378 CO -0.01 0.39 -0.18 0.74 -3.12 0.00 0.00 179.24 177.07 1s48 h THR 379 N 0.49 0.62 -0.34 0.35 2.02 -0.99 0.19 112.91 115.26 1s48 h THR 379 Ca 0.14 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.30 1s48 h THR 379 Cb 0.02 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1s48 h THR 379 CO -0.02 0.00 0.14 -0.29 0.37 0.00 0.00 175.52 175.72 1s48 h ILE 380 N -0.43 1.18 -0.81 3.11 2.10 -1.15 -2.75 117.51 118.77 1s48 h ILE 380 Ca -0.02 -0.56 -0.03 0.00 1.08 0.00 0.00 64.86 65.33 1s48 h ILE 380 Cb 0.37 0.91 -0.04 0.00 -1.09 0.00 0.00 36.82 36.98 1s48 h ILE 380 CO 0.01 0.20 0.40 0.74 -1.08 0.00 0.00 178.15 178.41 1s48 h THR 381 N 0.41 1.25 -0.97 2.19 2.02 -0.54 -2.38 112.91 114.89 1s48 h THR 381 Ca 0.11 -0.68 0.05 0.00 0.77 0.00 0.00 66.41 66.66 1s48 h THR 381 Cb 0.18 0.20 -0.06 0.00 -1.74 0.00 0.00 68.15 66.73 1s48 h THR 381 CO -0.01 0.29 0.63 -0.78 0.37 0.00 0.00 175.52 176.03 1s48 h ASP 382 N 1.15 1.03 0.00 4.18 -0.00 -0.40 -3.09 116.42 119.29 1s48 h ASP 382 Ca 0.28 -0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.31 1s48 h ASP 382 Cb 0.10 -0.23 0.00 0.00 -0.00 0.00 0.00 39.33 39.20 1s48 h ASP 382 CO -0.04 0.69 0.00 1.41 -0.00 0.00 0.00 179.24 181.30 1s48 n HIS 383 N -4.46 0.00 0.00 0.28 8.25 -0.90 -4.34 115.22 114.05 1s48 n HIS 383 Ca 0.14 -0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1s48 n HIS 383 Cb 0.14 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 30.97 1s48 n HIS 383 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1s48 n THR 385 N 1.41 0.00 -3.25 1.59 -1.04 -1.17 -3.93 114.28 107.89 1s48 n THR 385 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 1s48 n THR 385 Cb 0.20 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.67 1s48 n THR 385 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1s48 s GLU 386 N 0.00 0.46 -0.12 -2.82 2.12 -1.26 -2.50 118.70 114.58 1s48 s GLU 386 Ca 0.00 0.51 -0.03 0.00 0.36 0.00 0.00 54.97 55.82 1s48 s GLU 386 Cb 0.00 -0.05 -0.03 0.00 0.26 0.00 0.00 34.13 34.31 1s48 s GLU 386 CO 0.00 -0.85 -0.03 0.08 -0.54 0.00 0.00 175.26 173.93 1s48 s VAL 387 N 2.67 4.01 -0.02 3.70 1.01 -0.19 -4.90 120.40 126.67 1s48 s VAL 387 Ca 0.13 -0.34 -0.27 0.00 0.00 0.00 0.00 61.98 61.50 1s48 s VAL 387 Cb -0.13 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1s48 s VAL 387 CO -0.24 0.54 0.87 -2.84 0.00 0.00 0.00 175.10 173.43 1s48 s PRO 388 N -0.15 4.51 -0.11 2.72 0.02 -1.26 -0.60 135.00 140.13 1s48 s PRO 388 Ca 0.03 1.21 0.03 0.00 0.02 0.00 0.00 61.00 62.30 1s48 s PRO 388 Cb -0.13 -3.45 -0.00 0.00 0.02 0.00 0.00 34.50 30.94 1s48 s PRO 388 CO 0.02 -0.00 -0.22 0.08 -0.33 0.00 0.00 177.00 176.55 1s48 s VAL 389 N 0.92 2.24 -0.33 3.83 1.01 0.19 -1.51 120.40 126.75 1s48 s VAL 389 Ca 0.46 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 1s48 s VAL 389 Cb -0.20 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.32 1s48 s VAL 389 CO 0.24 0.55 0.15 -0.63 0.00 0.00 0.00 175.10 175.41 1s48 s ILE 390 N 0.41 4.39 0.73 2.22 1.01 0.00 -1.22 121.20 128.73 1s48 s ILE 390 Ca -0.16 -0.66 -0.11 0.00 0.00 0.00 0.00 60.65 59.72 1s48 s ILE 390 Cb -0.17 -3.32 0.03 0.00 0.01 0.00 0.00 42.46 39.00 1s48 s ILE 390 CO 0.07 -0.03 1.07 0.42 0.00 0.00 0.00 174.94 176.47 1s48 s THR 391 N 1.56 3.74 0.54 2.92 -4.23 -0.46 -0.77 115.64 118.94 1s48 s THR 391 Ca 0.03 0.57 0.22 0.00 -1.18 0.00 0.00 61.69 61.32 1s48 s THR 391 Cb -0.18 -3.25 0.32 0.00 1.34 0.00 0.00 72.50 70.74 1s48 s THR 391 CO 0.05 -0.74 2.12 0.00 -0.54 0.00 0.00 174.62 175.51 1s48 h ALA 392 N -0.87 2.04 -0.10 3.99 0.00 -1.65 -1.75 119.26 120.91 1s48 h ALA 392 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1s48 h ALA 392 Cb 1.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1s48 h ALA 392 CO 0.56 -0.20 0.00 -0.40 0.00 0.00 0.00 179.25 179.21 1s48 n ASP 393 N -4.31 1.78 0.00 0.00 5.75 -1.26 -4.96 116.55 113.55 1s48 n ASP 393 Ca 0.01 -1.65 0.00 0.00 -0.01 0.00 0.00 54.79 53.14 1s48 n ASP 393 Cb 0.25 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 1s48 n ASP 393 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s48 n GLY 394 N 1.19 1.96 3.48 6.12 0.00 -0.66 -5.10 105.19 112.18 1s48 n GLY 394 Ca 0.17 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 1s48 n GLY 394 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1s48 n GLU 395 N 0.00 0.36 -3.95 1.61 -0.58 -1.26 -4.64 120.64 112.18 1s48 n GLU 395 Ca 0.00 0.16 -0.23 0.00 -0.42 0.00 0.00 57.16 56.67 1s48 n GLU 395 Cb 0.00 -1.84 -0.17 0.00 -0.57 0.00 0.00 31.44 28.86 1s48 n GLU 395 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1s48 s VAL 396 N -1.86 0.65 0.10 2.62 1.01 -1.26 -1.36 120.40 120.29 1s48 s VAL 396 Ca 0.67 -0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.64 1s48 s VAL 396 Cb -0.37 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1s48 s VAL 396 CO 0.57 0.29 -0.22 -0.72 0.00 0.00 0.00 175.10 175.01 1s48 s TYR 397 N 1.57 1.89 -0.68 5.22 -0.85 -0.36 -4.95 117.35 119.19 1s48 s TYR 397 Ca -0.00 -0.41 -0.12 0.00 -0.52 0.00 0.00 57.07 56.03 1s48 s TYR 397 Cb -0.13 -1.05 0.18 0.00 0.38 0.00 0.00 41.96 41.33 1s48 s TYR 397 CO -0.04 0.21 0.59 0.42 -1.52 0.00 0.00 175.55 175.21 1s48 s ILE 398 N -1.09 5.00 0.24 -3.49 1.09 -1.26 0.53 121.20 122.22 1s48 s ILE 398 Ca 0.08 -2.24 -0.30 0.00 -1.10 0.00 0.00 60.65 57.09 1s48 s ILE 398 Cb -0.10 -4.16 -0.09 0.00 -1.06 0.00 0.00 42.46 37.05 1s48 s ILE 398 CO 0.04 -0.93 1.26 -0.60 -0.10 0.00 0.00 174.94 174.61 1s48 s ARG 399 N 0.62 4.43 -1.29 2.79 3.52 0.23 -4.88 118.95 124.37 1s48 s ARG 399 Ca 0.13 2.03 -0.06 0.00 -0.13 0.00 0.00 55.73 57.69 1s48 s ARG 399 Cb -0.19 -3.17 0.15 0.00 -1.56 0.00 0.00 34.95 30.18 1s48 s ARG 399 CO -0.04 -0.15 2.17 0.09 -0.81 0.00 0.00 175.30 176.56 1s48 n ASN 400 N 2.01 7.05 -1.79 -2.12 3.02 -1.26 -1.02 115.26 121.15 1s48 n ASN 400 Ca 0.03 -3.16 0.00 0.00 -0.03 0.00 0.00 54.58 51.42 1s48 n ASN 400 Cb 0.43 -1.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.21 1s48 n ASN 400 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s48 n GLY 401 N 1.97 0.00 0.00 7.41 0.00 -1.04 -4.76 105.19 108.77 1s48 n GLY 401 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1s48 n GLY 401 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1s48 n GLN 402 N 1.62 3.96 -4.10 1.61 6.02 -1.25 -4.24 117.38 120.99 1s48 n GLN 402 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 1s48 n GLN 402 Cb 0.07 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.26 1s48 n GLN 402 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1s48 s ARG 403 N 2.22 3.07 -0.39 -1.09 6.06 0.90 -4.87 118.95 124.85 1s48 s ARG 403 Ca 0.00 -0.48 -0.10 0.00 -2.50 0.00 0.00 55.73 52.65 1s48 s ARG 403 Cb 0.00 -2.86 0.05 0.00 0.06 0.00 0.00 34.95 32.20 1s48 s ARG 403 CO 0.00 0.65 0.22 0.20 -2.50 0.00 0.00 175.30 173.86 1s48 s GLY 404 N -1.73 1.93 0.44 8.12 0.00 -1.26 -4.72 107.32 110.10 1s48 s GLY 404 Ca 0.23 -1.91 0.37 0.00 0.00 0.00 0.00 44.72 43.40 1s48 s GLY 404 CO 0.14 0.89 1.37 -1.14 0.00 0.00 0.00 173.10 174.36 1s48 n SER 405 N 4.94 0.09 -0.23 1.64 3.41 -1.21 0.51 113.62 122.77 1s48 n SER 405 Ca -0.11 1.04 0.15 0.00 -0.26 0.00 0.00 58.87 59.69 1s48 n SER 405 Cb 0.44 -0.51 0.74 0.00 -0.26 0.00 0.00 64.21 64.62 1s48 n SER 405 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s48 n GLY 406 N -1.64 -0.51 3.77 5.00 0.00 0.17 -4.85 105.19 107.13 1s48 n GLY 406 Ca 0.37 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1s48 n GLY 406 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s48 s GLN 407 N -2.00 4.23 0.45 1.61 -0.21 0.18 -4.39 119.66 119.54 1s48 s GLN 407 Ca 0.43 1.81 0.12 0.00 0.02 0.00 0.00 55.36 57.73 1s48 s GLN 407 Cb 0.21 -2.80 1.03 0.00 1.00 0.00 0.00 33.01 32.45 1s48 s GLN 407 CO 0.35 -0.15 2.07 -1.35 -2.12 0.00 0.00 175.29 174.08 1s48 h PRO 408 N 2.95 0.35 -0.95 2.91 0.11 -1.89 -2.78 132.00 132.69 1s48 h PRO 408 Ca -0.48 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.44 1s48 h PRO 408 Cb 1.23 -0.08 -0.10 0.00 0.11 0.00 0.00 31.00 32.16 1s48 h PRO 408 CO 0.64 0.23 0.21 -3.47 -0.21 0.00 0.00 178.00 175.40 1s48 n ASP 409 N -4.49 3.26 0.04 -2.05 2.03 -1.26 -4.49 116.55 109.60 1s48 n ASP 409 Ca 0.03 -2.62 -0.11 0.00 0.52 0.00 0.00 54.79 52.61 1s48 n ASP 409 Cb 0.15 -0.63 -0.08 0.00 -0.72 0.00 0.00 41.12 39.84 1s48 n ASP 409 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1s48 h THR 410 N 0.77 0.92 0.51 5.18 2.02 -1.82 -1.31 112.91 119.18 1s48 h THR 410 Ca 0.21 -1.20 -0.03 0.00 0.77 0.00 0.00 66.41 66.17 1s48 h THR 410 Cb 1.65 1.55 0.01 0.00 -1.74 0.00 0.00 68.15 69.61 1s48 h THR 410 CO 0.41 0.24 -0.25 -1.28 0.37 0.00 0.00 175.52 175.02 1s48 h SER 411 N -0.85 -0.58 0.64 4.18 0.87 -1.86 0.14 113.55 116.09 1s48 h SER 411 Ca -0.02 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.49 1s48 h SER 411 Cb 0.54 0.15 0.01 0.00 -0.44 0.00 0.00 62.40 62.65 1s48 h SER 411 CO 0.03 -0.35 -0.31 0.00 -0.53 0.00 0.00 176.83 175.67 1s48 h ALA 412 N -0.32 -1.23 -0.60 6.23 0.00 -1.77 -0.42 119.26 121.16 1s48 h ALA 412 Ca -0.07 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.74 1s48 h ALA 412 Cb 0.57 0.35 -0.11 0.00 0.00 0.00 0.00 17.79 18.59 1s48 h ALA 412 CO 0.12 -1.17 -0.41 0.78 0.00 0.00 0.00 179.25 178.57 1s48 h GLY 413 N -0.87 -0.36 0.99 0.00 0.00 -1.29 -1.42 103.07 100.12 1s48 h GLY 413 Ca -0.09 0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.77 1s48 h GLY 413 CO 0.14 -0.17 0.32 3.43 0.00 0.00 0.00 176.54 180.26 1s48 h ASN 414 N -0.20 0.67 0.00 0.19 2.35 -0.73 -1.82 115.58 116.03 1s48 h ASN 414 Ca 0.20 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1s48 h ASN 414 Cb 0.56 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1s48 h ASN 414 CO -0.70 0.54 0.00 -1.20 -1.65 0.00 0.00 177.43 174.43 1s48 n SER 415 N -4.64 0.00 0.00 5.81 7.64 -0.17 -0.14 113.62 122.12 1s48 n SER 415 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1s48 n SER 415 Cb 0.07 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1s48 n SER 415 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1s48 n LEU 417 N -0.28 0.00 0.23 -3.43 7.94 -0.69 -0.71 117.00 120.06 1s48 n LEU 417 Ca 0.00 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.79 1s48 n LEU 417 Cb 0.00 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 1s48 n LEU 417 CO 0.00 0.00 0.28 -1.13 -1.11 0.00 0.00 177.39 175.43 1s48 h ASN 418 N 0.00 -0.55 -0.26 1.96 -1.24 -0.77 -2.28 115.58 112.44 1s48 h ASN 418 Ca 0.00 -0.00 0.06 0.00 0.71 0.00 0.00 56.30 57.07 1s48 h ASN 418 Cb 0.00 0.14 -0.07 0.00 0.73 0.00 0.00 38.32 39.12 1s48 h ASN 418 CO 0.00 -0.13 -0.24 -0.37 -1.29 0.00 0.00 177.43 175.40 1s48 h VAL 419 N -1.15 0.39 -0.44 2.57 -1.51 -1.17 -1.44 116.25 113.50 1s48 h VAL 419 Ca -0.07 0.00 0.08 0.00 -1.23 0.00 0.00 66.70 65.49 1s48 h VAL 419 Cb 0.52 0.39 -0.07 0.00 -2.13 0.00 0.00 31.29 30.00 1s48 h VAL 419 CO 0.11 0.00 -0.02 -0.07 -1.23 0.00 0.00 177.57 176.36 1s48 h LEU 420 N -0.24 -0.23 -6.94 4.19 3.38 -1.81 -3.38 115.31 110.28 1s48 h LEU 420 Ca 0.14 0.11 -0.56 0.00 0.09 0.00 0.00 57.88 57.67 1s48 h LEU 420 Cb 0.46 0.20 0.09 0.00 0.09 0.00 0.00 40.66 41.50 1s48 h LEU 420 CO -0.40 -0.08 1.58 0.41 0.09 0.00 0.00 178.44 180.05 1s48 n THR 421 N -5.24 0.73 0.00 0.22 -1.04 -0.54 -4.59 114.28 103.82 1s48 n THR 421 Ca 0.04 -0.66 0.00 0.00 -2.04 0.00 0.00 64.05 61.39 1s48 n THR 421 Cb 0.24 -2.12 0.00 0.00 -1.82 0.00 0.00 70.33 66.63 1s48 n THR 421 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s48 n TYR 424 N 9.54 0.00 -0.07 -1.42 9.36 -1.26 -4.61 117.16 128.70 1s48 n TYR 424 Ca 0.47 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.62 1s48 n TYR 424 Cb 0.42 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 39.13 1s48 n TYR 424 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1s48 h ALA 425 N 0.00 0.28 0.05 2.98 0.00 -1.93 -1.77 119.26 118.86 1s48 h ALA 425 Ca 0.00 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1s48 h ALA 425 Cb 0.00 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1s48 h ALA 425 CO 0.00 -0.37 -0.43 0.35 0.00 0.00 0.00 179.25 178.80 1s48 h PHE 426 N 0.14 -1.21 -0.24 0.00 3.57 -1.94 0.30 116.94 117.56 1s48 h PHE 426 Ca 0.13 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.72 1s48 h PHE 426 Cb 0.15 0.52 -0.05 0.00 2.79 0.00 0.00 35.95 39.36 1s48 h PHE 426 CO -0.18 -0.51 -0.08 0.00 -2.23 0.00 0.00 178.31 175.31 1s48 h GLU 428 N -0.03 0.00 0.17 0.00 4.39 -0.99 1.27 114.58 119.39 1s48 h GLU 428 Ca 0.12 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.55 1s48 h GLU 428 Cb 0.21 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1s48 h GLU 428 CO -0.26 0.03 -1.26 0.77 -1.16 0.00 0.00 179.01 177.13 1s48 h SER 429 N 0.00 0.56 0.41 1.42 0.02 0.25 -3.39 113.55 112.82 1s48 h SER 429 Ca -0.00 -0.92 -0.31 0.00 -0.84 0.00 0.00 61.79 59.72 1s48 h SER 429 Cb 0.06 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 1s48 h SER 429 CO 0.00 1.58 -1.75 0.71 -1.14 0.00 0.00 176.83 176.24 1s48 h THR 430 N -0.17 0.83 0.00 -2.27 1.35 -0.82 -3.45 112.91 108.38 1s48 h THR 430 Ca -0.24 -2.64 0.00 0.00 -0.55 0.00 0.00 66.41 62.98 1s48 h THR 430 Cb 1.86 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 70.76 1s48 h THR 430 CO 0.16 0.63 0.00 0.61 -0.25 0.00 0.00 175.52 176.67 1s48 n GLY 431 N 1.67 0.43 3.67 5.82 0.00 0.44 -5.04 105.19 112.18 1s48 n GLY 431 Ca -0.20 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.37 1s48 n GLY 431 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1s48 n VAL 432 N -1.58 0.58 -1.62 1.61 0.31 -1.18 -4.91 118.33 111.55 1s48 n VAL 432 Ca 0.00 -0.10 -0.41 0.00 -0.01 0.00 0.00 64.34 63.82 1s48 n VAL 432 Cb 0.00 -2.09 0.02 0.00 -0.91 0.00 0.00 33.84 30.86 1s48 n VAL 432 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1s48 n PRO 433 N 6.62 1.37 0.04 5.55 -0.02 -1.26 -4.47 135.00 142.82 1s48 n PRO 433 Ca 0.20 0.49 -0.11 0.00 -2.02 0.00 0.00 63.50 62.06 1s48 n PRO 433 Cb 0.36 -2.10 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 1s48 n PRO 433 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 1s48 h TYR 434 N 1.47 -0.82 0.00 6.00 0.05 -1.96 -0.29 116.97 121.43 1s48 h TYR 434 Ca -0.45 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.36 1s48 h TYR 434 Cb 1.34 0.37 0.00 0.00 1.01 0.00 0.00 36.73 39.44 1s48 h TYR 434 CO 0.43 -0.39 0.21 1.57 -1.05 0.00 0.00 178.16 178.93 1s48 h LYS 435 N -0.42 0.00 -0.36 4.88 -0.00 -1.95 -1.67 116.57 117.06 1s48 h LYS 435 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.72 1s48 h LYS 435 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.76 1s48 h LYS 435 CO -0.29 0.00 0.00 0.43 -0.00 0.00 0.00 179.45 179.59 1s48 n SER 436 N -2.68 3.31 -0.09 7.07 7.64 -0.14 -4.68 113.62 124.05 1s48 n SER 436 Ca -0.02 -1.95 -0.12 0.00 1.01 0.00 0.00 58.87 57.79 1s48 n SER 436 Cb 0.25 -0.23 -0.07 0.00 -1.01 0.00 0.00 64.21 63.15 1s48 n SER 436 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1s48 h PHE 437 N 4.07 -1.41 0.00 1.43 3.57 -1.11 -0.91 116.94 122.58 1s48 h PHE 437 Ca 0.00 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1s48 h PHE 437 Cb 0.92 0.66 0.00 0.00 2.79 0.00 0.00 35.95 40.32 1s48 h PHE 437 CO 0.23 -0.48 0.00 0.09 -2.23 0.00 0.00 178.31 175.92 1s48 n ASN 438 N -5.41 0.00 0.05 0.41 3.02 -1.26 -0.79 115.26 111.28 1s48 n ASN 438 Ca -0.03 0.11 -0.19 0.00 -0.03 0.00 0.00 54.58 54.44 1s48 n ASN 438 Cb 0.36 -0.17 -0.14 0.00 -0.61 0.00 0.00 39.78 39.21 1s48 n ASN 438 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1s48 h ARG 439 N 0.00 0.29 -0.01 3.52 2.47 -1.50 -3.39 114.38 115.76 1s48 h ARG 439 Ca 0.00 -0.49 0.00 0.00 -1.26 0.00 0.00 59.98 58.23 1s48 h ARG 439 Cb 0.02 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 1s48 h ARG 439 CO 0.00 1.16 -0.12 1.33 0.56 0.00 0.00 179.97 182.89 1s48 n VAL 440 N -3.48 0.00 -3.70 2.04 0.24 -0.57 -5.05 118.33 107.81 1s48 n VAL 440 Ca -0.21 -0.44 -0.12 0.00 -2.04 0.00 0.00 64.34 61.53 1s48 n VAL 440 Cb 1.06 1.12 -0.07 0.00 -1.47 0.00 0.00 33.84 34.48 1s48 n VAL 440 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1s48 s ALA 441 N -1.07 -0.88 -0.08 2.33 0.00 0.03 -4.29 121.76 117.80 1s48 s ALA 441 Ca 0.08 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.25 1s48 s ALA 441 Cb 0.07 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.54 1s48 s ALA 441 CO 0.18 -0.44 -0.18 1.03 0.00 0.00 0.00 175.76 176.35 1s48 s ARG 442 N -2.53 2.28 0.15 0.00 1.81 -0.54 -4.14 118.95 115.99 1s48 s ARG 442 Ca -0.05 -0.63 0.10 0.00 -1.72 0.00 0.00 55.73 53.43 1s48 s ARG 442 Cb -0.01 -1.80 -0.04 0.00 -0.45 0.00 0.00 34.95 32.65 1s48 s ARG 442 CO -0.03 0.11 -0.18 -1.50 -0.68 0.00 0.00 175.30 173.02 1s48 s ILE 443 N 0.48 2.78 -0.05 1.52 2.07 -1.26 -0.07 121.20 126.66 1s48 s ILE 443 Ca -0.16 -1.69 -0.02 0.00 -1.41 0.00 0.00 60.65 57.38 1s48 s ILE 443 Cb -0.16 -2.31 0.04 0.00 0.13 0.00 0.00 42.46 40.15 1s48 s ILE 443 CO 0.06 -0.01 0.11 -1.00 -1.91 0.00 0.00 174.94 172.19 1s48 s HIS 444 N -1.41 -0.10 0.01 3.50 3.76 -0.39 -4.17 115.29 116.50 1s48 s HIS 444 Ca 0.20 0.39 0.00 0.00 -0.15 0.00 0.00 55.06 55.50 1s48 s HIS 444 Cb -0.09 -0.17 -0.01 0.00 1.11 0.00 0.00 32.58 33.41 1s48 s HIS 444 CO 0.11 -0.16 -0.02 0.54 -0.85 0.00 0.00 174.74 174.36 1s48 s VAL 445 N 1.34 0.09 -0.41 -0.90 0.11 0.14 -1.22 120.40 119.54 1s48 s VAL 445 Ca -0.07 -0.59 0.05 0.00 -2.93 0.00 0.00 61.98 58.44 1s48 s VAL 445 Cb -0.12 -0.18 0.17 0.00 -1.53 0.00 0.00 36.38 34.72 1s48 s VAL 445 CO -0.05 -0.31 0.47 0.00 -3.33 0.00 0.00 175.10 171.87 1s48 n GLY 447 N 3.73 0.67 0.49 0.00 0.00 -1.26 -2.41 105.19 106.42 1s48 n GLY 447 Ca 0.16 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.62 1s48 n GLY 447 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s48 n ASP 448 N 7.10 1.86 -4.78 1.61 5.75 -1.26 -3.75 116.55 123.08 1s48 n ASP 448 Ca 0.00 -1.42 -0.39 0.00 -0.01 0.00 0.00 54.79 52.97 1s48 n ASP 448 Cb 0.00 0.30 -0.06 0.00 -1.03 0.00 0.00 41.12 40.33 1s48 n ASP 448 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1s48 s ASP 449 N -2.39 7.32 0.00 -1.12 -1.08 -1.01 -4.69 116.67 113.70 1s48 s ASP 449 Ca 0.22 1.57 0.00 0.00 -0.52 0.00 0.00 52.55 53.82 1s48 s ASP 449 Cb 0.19 -2.47 0.00 0.00 -1.46 0.00 0.00 42.92 39.18 1s48 s ASP 449 CO 0.51 0.22 0.00 0.61 0.52 0.00 0.00 175.17 177.03 1s48 n GLY 450 N 1.62 0.40 3.83 2.66 0.00 -1.26 0.52 105.19 112.95 1s48 n GLY 450 Ca -0.07 -1.17 -0.08 0.00 0.00 0.00 0.00 46.02 44.70 1s48 n GLY 450 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s48 s PHE 451 N -2.00 -0.03 0.06 1.61 -0.71 -0.36 -0.43 117.98 116.13 1s48 s PHE 451 Ca 0.00 -0.53 -0.01 0.00 -1.04 0.00 0.00 56.93 55.36 1s48 s PHE 451 Cb 0.00 0.75 -0.04 0.00 -1.21 0.00 0.00 43.02 42.52 1s48 s PHE 451 CO 0.00 -1.39 -0.04 -0.48 -1.34 0.00 0.00 175.22 171.98 1s48 s LEU 452 N -2.99 2.49 -0.08 -1.99 2.34 -0.23 -1.27 118.68 116.96 1s48 s LEU 452 Ca 0.13 -1.00 0.03 0.00 0.06 0.00 0.00 54.13 53.35 1s48 s LEU 452 Cb -0.05 0.15 0.01 0.00 -0.56 0.00 0.00 46.19 45.73 1s48 s LEU 452 CO 0.09 -0.58 -0.17 -0.63 -1.06 0.00 0.00 176.35 174.00 1s48 s ILE 453 N -3.87 1.52 0.23 1.48 1.01 0.90 -1.63 121.20 120.84 1s48 s ILE 453 Ca 0.08 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 1s48 s ILE 453 Cb 0.08 -1.34 0.01 0.00 0.01 0.00 0.00 42.46 41.21 1s48 s ILE 453 CO -0.09 0.44 0.33 1.07 0.00 0.00 0.00 174.94 176.69 1s48 n THR 454 N 3.64 0.00 -2.33 2.92 5.66 -0.98 -1.46 114.28 121.73 1s48 n THR 454 Ca -0.21 -1.09 -0.33 0.00 -3.05 0.00 0.00 64.05 59.37 1s48 n THR 454 Cb 0.52 0.69 -0.02 0.00 -1.55 0.00 0.00 70.33 69.98 1s48 n THR 454 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1s48 s GLU 455 N -2.47 3.60 0.26 1.09 0.41 -1.26 -1.64 118.70 118.69 1s48 s GLU 455 Ca 0.18 1.29 -0.06 0.00 -0.41 0.00 0.00 54.97 55.97 1s48 s GLU 455 Cb -0.01 -2.07 0.49 0.00 -1.78 0.00 0.00 34.13 30.76 1s48 s GLU 455 CO 0.13 -0.59 1.60 -0.22 -0.49 0.00 0.00 175.26 175.69 1s48 h LYS 456 N 1.08 0.04 0.02 1.61 3.64 -0.92 0.11 116.57 122.14 1s48 h LYS 456 Ca -0.48 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1s48 h LYS 456 Cb 1.22 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1s48 h LYS 456 CO 0.58 0.03 -0.06 0.78 -2.27 0.00 0.00 179.45 178.51 1s48 h GLY 457 N 0.04 -1.18 0.88 5.01 0.00 -1.92 -2.27 103.07 103.64 1s48 h GLY 457 Ca 0.46 0.52 0.03 0.00 0.00 0.00 0.00 47.33 48.34 1s48 h GLY 457 CO -0.81 -0.43 0.54 1.41 0.00 0.00 0.00 176.54 177.25 1s48 h LEU 458 N -0.09 0.90 -0.35 3.11 3.38 -1.88 -2.85 115.31 117.52 1s48 h LEU 458 Ca -0.00 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1s48 h LEU 458 Cb 0.09 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 1s48 h LEU 458 CO -0.03 0.62 -0.15 1.23 0.09 0.00 0.00 178.44 180.19 1s48 h GLY 459 N 1.05 0.12 2.00 0.83 0.00 -0.65 -0.96 103.07 105.47 1s48 h GLY 459 Ca 0.34 0.20 -0.10 0.00 0.00 0.00 0.00 47.33 47.76 1s48 h GLY 459 CO -0.12 -0.17 -0.47 1.41 0.00 0.00 0.00 176.54 177.19 1s48 h LEU 460 N -0.10 0.00 -0.98 3.11 4.07 -1.36 -1.55 115.31 118.50 1s48 h LEU 460 Ca 0.17 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.06 1s48 h LEU 460 Cb 0.36 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.08 1s48 h LEU 460 CO -0.41 0.47 -0.05 0.50 -1.08 0.00 0.00 178.44 177.88 1s48 h LYS 461 N 0.00 0.68 -0.13 1.13 3.64 -1.20 -1.48 116.57 119.21 1s48 h LYS 461 Ca -0.00 -0.19 -0.06 0.00 -1.27 0.00 0.00 60.65 59.13 1s48 h LYS 461 Cb 1.20 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1s48 h LYS 461 CO 0.06 0.73 -0.15 0.35 -2.27 0.00 0.00 179.45 178.18 1s48 h PHE 462 N 0.64 0.41 -0.44 1.91 3.57 -0.90 -1.55 116.94 120.58 1s48 h PHE 462 Ca 0.12 -0.13 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1s48 h PHE 462 Cb 0.47 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 1s48 h PHE 462 CO 0.02 0.75 0.30 0.00 -2.23 0.00 0.00 178.31 177.15 1s48 h ALA 463 N 0.59 1.82 0.02 2.41 0.00 -0.99 0.83 119.26 123.94 1s48 h ALA 463 Ca 0.02 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1s48 h ALA 463 Cb 0.69 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1s48 h ALA 463 CO 0.04 0.12 -0.49 -0.91 0.00 0.00 0.00 179.25 178.01 1s48 h ASN 464 N 0.47 0.05 1.46 0.00 2.35 -1.23 -3.36 115.58 115.33 1s48 h ASN 464 Ca 0.18 -0.85 0.00 0.00 -0.55 0.00 0.00 56.30 55.08 1s48 h ASN 464 Cb 0.13 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1s48 h ASN 464 CO -0.04 1.20 -0.08 0.11 -1.65 0.00 0.00 177.43 176.97 1s48 h LYS 465 N -0.92 0.00 -1.93 0.81 1.57 -1.25 -3.40 116.57 111.45 1s48 h LYS 465 Ca -0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1s48 h LYS 465 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1s48 h LYS 465 CO -0.05 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.24 1s48 n GLY 466 N 1.29 1.35 0.00 3.86 0.00 0.29 -2.03 105.19 109.94 1s48 n GLY 466 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1s48 n GLY 466 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1s48 n GLN 468 N 1.62 0.00 -0.23 1.61 0.00 -1.26 -0.77 117.38 118.36 1s48 n GLN 468 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.00 56.98 1s48 n GLN 468 Cb 0.23 0.00 0.10 0.00 0.00 0.00 0.00 30.24 30.57 1s48 n GLN 468 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1s48 h ILE 469 N 0.00 0.96 -0.31 1.69 2.04 -1.78 -2.24 117.51 117.87 1s48 h ILE 469 Ca 0.00 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 1s48 h ILE 469 Cb 0.00 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 1s48 h ILE 469 CO 0.00 0.12 -0.07 -0.07 0.00 0.00 0.00 178.15 178.13 1s48 h LEU 470 N 0.66 0.59 -0.46 1.44 3.38 -1.20 -2.70 115.31 117.02 1s48 h LEU 470 Ca 0.30 -0.36 0.08 0.00 0.09 0.00 0.00 57.88 57.99 1s48 h LEU 470 Cb 0.20 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 1s48 h LEU 470 CO -0.19 0.82 0.05 -0.74 0.09 0.00 0.00 178.44 178.47 1s48 h HIS 471 N 0.36 0.06 0.00 1.13 2.76 -1.59 0.13 115.15 118.00 1s48 h HIS 471 Ca 0.08 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1s48 h HIS 471 Cb 0.55 0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.56 1s48 h HIS 471 CO 0.05 -0.05 0.00 -0.85 -1.30 0.00 0.00 177.93 175.78 1s48 n GLU 472 N -5.16 0.18 0.00 5.26 0.28 -0.89 -1.90 120.64 118.41 1s48 n GLU 472 Ca 0.04 0.05 0.14 0.00 -0.16 0.00 0.00 57.16 57.23 1s48 n GLU 472 Cb 0.24 -1.50 0.49 0.00 1.43 0.00 0.00 31.44 32.09 1s48 n GLU 472 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1s48 n ALA 473 N -1.40 2.89 -0.39 -1.84 0.00 0.41 -2.41 120.51 117.77 1s48 n ALA 473 Ca 0.09 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1s48 n ALA 473 Cb 0.26 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1s48 n ALA 473 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s48 n GLY 474 N 1.28 0.79 2.51 0.00 0.00 -0.80 -4.85 105.19 104.11 1s48 n GLY 474 Ca 0.14 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 1s48 n GLY 474 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s48 n LYS 475 N -2.39 1.17 -1.68 1.61 4.76 -0.94 -4.79 118.16 115.91 1s48 n LYS 475 Ca 0.00 -3.83 -0.45 0.00 -2.87 0.00 0.00 58.31 51.16 1s48 n LYS 475 Cb 0.00 -1.86 -0.04 0.00 -1.84 0.00 0.00 35.03 31.29 1s48 n LYS 475 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1s48 n PRO 476 N 1.96 2.27 -3.30 1.97 -0.02 -1.26 -4.15 135.00 132.47 1s48 n PRO 476 Ca 0.25 0.82 -0.38 0.00 -2.02 0.00 0.00 63.50 62.17 1s48 n PRO 476 Cb 0.44 -2.61 -0.06 0.00 -0.02 0.00 0.00 33.50 31.24 1s48 n PRO 476 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1s48 s GLN 477 N 1.34 4.17 0.13 -0.52 -1.52 -1.26 -0.33 119.66 121.67 1s48 s GLN 477 Ca 0.80 0.70 -0.35 0.00 -1.95 0.00 0.00 55.36 54.56 1s48 s GLN 477 Cb -0.65 -3.23 -0.15 0.00 -0.22 0.00 0.00 33.01 28.77 1s48 s GLN 477 CO 0.38 0.64 1.43 1.63 -0.25 0.00 0.00 175.29 179.12 1s48 n LYS 478 N 1.69 1.61 -2.29 2.91 5.02 0.18 -4.78 118.16 122.52 1s48 n LYS 478 Ca -0.11 0.58 -0.42 0.00 -2.02 0.00 0.00 58.31 56.35 1s48 n LYS 478 Cb 0.51 -2.26 -0.03 0.00 -0.02 0.00 0.00 35.03 33.23 1s48 n LYS 478 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1s48 s ILE 479 N 0.56 3.48 0.19 -0.18 1.01 -1.26 -5.02 121.20 119.98 1s48 s ILE 479 Ca 0.80 1.16 0.04 0.00 0.00 0.00 0.00 60.65 62.65 1s48 s ILE 479 Cb -0.82 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 37.87 1s48 s ILE 479 CO 0.44 0.14 -0.06 -0.89 0.00 0.00 0.00 174.94 174.57 1s48 s THR 480 N 0.47 1.13 0.32 2.92 2.01 -1.26 -5.04 115.64 116.18 1s48 s THR 480 Ca 0.58 -2.05 0.20 0.00 0.31 0.00 0.00 61.69 60.72 1s48 s THR 480 Cb -0.34 -2.08 0.18 0.00 0.01 0.00 0.00 72.50 70.27 1s48 s THR 480 CO 0.34 -0.55 1.89 -0.08 -0.69 0.00 0.00 174.62 175.53 1s48 h GLU 481 N 2.64 0.00 0.00 4.92 4.81 -1.95 -2.65 114.58 122.35 1s48 h GLU 481 Ca -0.37 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.84 1s48 h GLU 481 Cb 1.21 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 1s48 h GLU 481 CO 0.64 0.27 -0.08 0.78 -0.73 0.00 0.00 179.01 179.90 1s48 h GLY 482 N 1.32 0.00 0.00 1.92 0.00 -2.00 -3.46 103.07 100.85 1s48 h GLY 482 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1s48 h GLY 482 CO 0.04 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.76 1s48 n GLU 483 N -3.19 0.00 0.00 4.80 1.02 -1.00 -5.16 120.64 117.11 1s48 n GLU 483 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1s48 n GLU 483 Cb 0.38 -3.05 0.00 0.00 -0.02 0.00 0.00 31.44 28.75 1s48 n GLU 483 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1s48 n LYS 484 N -2.00 0.00 -3.68 3.49 2.85 -1.26 -4.97 118.16 112.59 1s48 n LYS 484 Ca 0.00 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.88 1s48 n LYS 484 Cb 0.00 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.26 1s48 n LYS 484 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1s48 s LYS 486 N 2.35 3.38 -0.01 -1.58 2.20 -1.26 -4.94 119.74 119.88 1s48 s LYS 486 Ca 0.00 -0.68 -0.00 0.00 -0.36 0.00 0.00 55.97 54.92 1s48 s LYS 486 Cb 0.00 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 1s48 s LYS 486 CO 0.00 -0.38 0.08 0.08 -0.36 0.00 0.00 175.35 174.77 1s48 s VAL 487 N 1.60 4.71 -0.15 4.02 1.01 -1.26 -2.32 120.40 128.01 1s48 s VAL 487 Ca 0.05 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1s48 s VAL 487 Cb -0.17 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.08 1s48 s VAL 487 CO 0.05 0.36 -0.18 0.00 0.00 0.00 0.00 175.10 175.33 1s48 s ALA 488 N -1.19 2.06 -2.14 5.51 0.00 0.12 -4.95 121.76 121.17 1s48 s ALA 488 Ca 0.23 -1.01 0.23 0.00 0.00 0.00 0.00 51.96 51.41 1s48 s ALA 488 Cb -0.12 -1.04 0.11 0.00 0.00 0.00 0.00 23.12 22.07 1s48 s ALA 488 CO 0.14 -0.23 1.17 0.66 0.00 0.00 0.00 175.76 177.49 1s48 n TYR 489 N 4.46 0.00 -4.68 0.00 4.02 -1.26 -0.82 117.16 118.88 1s48 n TYR 489 Ca -0.19 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.45 1s48 n TYR 489 Cb 0.51 -0.01 -0.14 0.00 -0.02 0.00 0.00 39.34 39.67 1s48 n TYR 489 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1s48 s ARG 490 N -2.41 1.39 0.22 -0.72 0.52 -1.26 -4.92 118.95 111.77 1s48 s ARG 490 Ca 0.21 -0.88 -0.08 0.00 -0.52 0.00 0.00 55.73 54.46 1s48 s ARG 490 Cb 0.18 -1.46 0.18 0.00 0.52 0.00 0.00 34.95 34.38 1s48 s ARG 490 CO 0.53 0.38 1.86 0.35 0.02 0.00 0.00 175.30 178.43 1s48 h PHE 491 N 5.03 1.12 0.00 -0.53 3.04 -1.96 -1.78 116.94 121.87 1s48 h PHE 491 Ca -0.41 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.52 1s48 h PHE 491 Cb 1.16 -0.36 0.00 0.00 2.56 0.00 0.00 35.95 39.30 1s48 h PHE 491 CO 0.48 0.76 0.00 1.05 -2.02 0.00 0.00 178.31 178.59 1s48 h GLU 492 N 1.16 0.00 -0.03 1.11 4.11 -1.97 -2.23 114.58 116.73 1s48 h GLU 492 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.73 1s48 h GLU 492 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1s48 h GLU 492 CO -0.05 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.78 1s48 n ASP 493 N -2.87 0.41 -4.67 3.06 8.00 -0.67 -4.23 116.55 115.59 1s48 n ASP 493 Ca -0.00 -1.38 -0.43 0.00 0.71 0.00 0.00 54.79 53.69 1s48 n ASP 493 Cb 0.20 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.26 1s48 n ASP 493 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1s48 s ILE 494 N -1.96 4.68 -0.11 0.53 1.01 -0.84 -4.84 121.20 119.67 1s48 s ILE 494 Ca 0.34 2.01 -0.03 0.00 0.00 0.00 0.00 60.65 62.98 1s48 s ILE 494 Cb 0.16 -4.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 1s48 s ILE 494 CO 0.27 -0.14 -0.01 -0.70 0.00 0.00 0.00 174.94 174.36 1s48 s GLU 495 N 2.96 3.24 -0.24 2.79 2.12 -1.26 -4.05 118.70 124.26 1s48 s GLU 495 Ca 0.45 -0.44 -0.13 0.00 0.36 0.00 0.00 54.97 55.21 1s48 s GLU 495 Cb -0.16 -2.85 0.08 0.00 0.26 0.00 0.00 34.13 31.46 1s48 s GLU 495 CO 0.09 0.54 0.59 0.12 -0.54 0.00 0.00 175.26 176.05 1s48 s PHE 496 N -0.43 -0.95 -1.45 5.30 5.36 0.11 -4.90 117.98 121.02 1s48 s PHE 496 Ca 0.08 1.87 -0.11 0.00 -0.96 0.00 0.00 56.93 57.81 1s48 s PHE 496 Cb -0.12 0.53 0.07 0.00 -0.34 0.00 0.00 43.02 43.16 1s48 s PHE 496 CO 0.02 -0.49 0.74 0.00 -1.46 0.00 0.00 175.22 174.03 1s48 n SER 498 N -2.58 -3.49 -3.91 0.00 7.64 -1.26 -5.02 113.62 105.01 1s48 n SER 498 Ca -0.00 0.02 -0.10 0.00 1.01 0.00 0.00 58.87 59.80 1s48 n SER 498 Cb 0.54 -2.65 -0.09 0.00 -1.01 0.00 0.00 64.21 61.01 1s48 n SER 498 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1s48 s HIS 499 N -2.49 0.17 0.07 1.43 3.76 -0.33 -4.73 115.29 113.17 1s48 s HIS 499 Ca 0.00 -0.46 0.03 0.00 -0.15 0.00 0.00 55.06 54.47 1s48 s HIS 499 Cb 0.00 -0.11 -0.03 0.00 1.11 0.00 0.00 32.58 33.54 1s48 s HIS 499 CO 0.00 -0.39 -0.08 0.95 -0.85 0.00 0.00 174.74 174.37 1s48 s THR 500 N -2.70 0.71 0.02 1.30 -4.23 -0.11 0.07 115.64 110.70 1s48 s THR 500 Ca -0.04 -1.50 -0.30 0.00 -1.18 0.00 0.00 61.69 58.67 1s48 s THR 500 Cb -0.01 -1.15 -0.07 0.00 1.34 0.00 0.00 72.50 72.62 1s48 s THR 500 CO -0.05 -0.57 1.58 -2.16 -0.54 0.00 0.00 174.62 172.88 1s48 s PRO 501 N -2.59 4.22 -0.18 3.99 0.04 -1.26 -0.04 135.00 139.17 1s48 s PRO 501 Ca 0.01 2.20 -0.06 0.00 0.04 0.00 0.00 61.00 63.19 1s48 s PRO 501 Cb -0.03 -3.68 -0.03 0.00 0.04 0.00 0.00 34.50 30.80 1s48 s PRO 501 CO -0.01 -0.71 0.03 0.08 0.04 0.00 0.00 177.00 176.42 1s48 s VAL 502 N 2.88 4.44 0.22 -0.36 1.01 -1.26 -4.57 120.40 122.75 1s48 s VAL 502 Ca 0.71 -0.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.24 1s48 s VAL 502 Cb -0.36 -2.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.94 1s48 s VAL 502 CO 0.30 0.46 1.12 -2.84 0.00 0.00 0.00 175.10 174.14 1s48 s PRO 503 N 0.51 4.59 -0.04 2.72 0.02 -1.26 -4.31 135.00 137.24 1s48 s PRO 503 Ca 0.01 1.79 0.03 0.00 0.02 0.00 0.00 61.00 62.85 1s48 s PRO 503 Cb -0.13 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.16 1s48 s PRO 503 CO 0.02 0.10 -0.12 0.08 -0.33 0.00 0.00 177.00 176.74 1s48 s VAL 504 N -0.60 1.06 -0.23 3.83 1.01 -0.00 -0.30 120.40 125.17 1s48 s VAL 504 Ca 0.48 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.90 1s48 s VAL 504 Cb -0.31 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 1s48 s VAL 504 CO 0.38 0.32 0.02 -0.13 0.00 0.00 0.00 175.10 175.69 1s48 s ARG 505 N 0.18 3.55 0.38 2.72 1.81 1.00 -2.09 118.95 126.51 1s48 s ARG 505 Ca -0.04 -0.53 -0.03 0.00 -1.72 0.00 0.00 55.73 53.40 1s48 s ARG 505 Cb -0.10 -3.19 -0.04 0.00 -0.45 0.00 0.00 34.95 31.17 1s48 s ARG 505 CO 0.01 -0.17 0.64 -1.58 -0.68 0.00 0.00 175.30 173.53 1s48 s TRP 506 N 1.50 3.51 0.28 -0.53 0.52 -0.03 -0.59 118.94 123.61 1s48 s TRP 506 Ca 0.06 0.62 0.03 0.00 0.02 0.00 0.00 56.10 56.83 1s48 s TRP 506 Cb -0.15 -2.12 0.64 0.00 -1.15 0.00 0.00 33.47 30.70 1s48 s TRP 506 CO 0.01 -0.02 1.77 0.66 0.02 0.00 0.00 176.95 179.39 1s48 h SER 507 N 0.83 0.67 0.00 2.95 4.64 -0.65 -1.31 113.55 120.67 1s48 h SER 507 Ca -0.48 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1s48 h SER 507 Cb 1.20 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1s48 h SER 507 CO 0.63 0.25 0.00 -0.90 -0.87 0.00 0.00 176.83 175.94 1s48 n ASP 508 N -4.81 2.35 -1.91 4.97 3.85 -1.26 -4.78 116.55 114.96 1s48 n ASP 508 Ca 0.20 -1.61 -0.16 0.00 -0.71 0.00 0.00 54.79 52.51 1s48 n ASP 508 Cb 0.51 -0.40 -0.04 0.00 -1.35 0.00 0.00 41.12 39.83 1s48 n ASP 508 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1s48 n ASN 509 N 0.58 -4.49 -4.86 -1.12 3.02 -0.50 -4.97 115.26 102.92 1s48 n ASN 509 Ca 0.00 0.26 -0.21 0.00 -0.03 0.00 0.00 54.58 54.60 1s48 n ASN 509 Cb 0.40 -3.94 -0.04 0.00 -0.61 0.00 0.00 39.78 35.59 1s48 n ASN 509 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1s48 s THR 510 N -2.57 2.74 0.26 3.41 -4.23 -1.24 -4.93 115.64 109.08 1s48 s THR 510 Ca 0.00 -1.39 0.02 0.00 -1.18 0.00 0.00 61.69 59.14 1s48 s THR 510 Cb 0.00 -3.02 -0.05 0.00 1.34 0.00 0.00 72.50 70.77 1s48 s THR 510 CO 0.00 -0.03 0.09 -0.44 -0.54 0.00 0.00 174.62 173.70 1s48 s SER 511 N -4.09 1.33 0.14 3.99 0.01 -1.26 -0.85 113.70 112.98 1s48 s SER 511 Ca 0.46 -1.37 -0.24 0.00 1.31 0.00 0.00 55.95 56.11 1s48 s SER 511 Cb -0.03 0.13 0.08 0.00 0.21 0.00 0.00 66.02 66.41 1s48 s SER 511 CO 0.27 -0.71 1.07 -0.94 0.41 0.00 0.00 173.24 173.35 1s48 s SER 512 N -3.33 -0.02 0.46 2.44 1.04 -0.89 -4.97 113.70 108.43 1s48 s SER 512 Ca 0.37 -0.55 0.03 0.00 0.48 0.00 0.00 55.95 56.28 1s48 s SER 512 Cb 0.08 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 1s48 s SER 512 CO 0.13 -0.85 0.09 -1.00 0.98 0.00 0.00 173.24 172.59 1s48 s HIS 513 N -2.32 1.77 -0.31 5.02 3.76 -1.26 -0.82 115.29 121.13 1s48 s HIS 513 Ca 0.21 -1.22 -0.06 0.00 -0.15 0.00 0.00 55.06 53.83 1s48 s HIS 513 Cb -0.02 -1.31 0.02 0.00 1.11 0.00 0.00 32.58 32.39 1s48 s HIS 513 CO 0.04 -0.15 0.08 0.00 -0.85 0.00 0.00 174.74 173.86 1s48 s ALA 515 N -3.07 3.04 0.24 -1.40 0.00 -1.26 -4.20 121.76 115.10 1s48 s ALA 515 Ca 0.14 -1.60 0.07 0.00 0.00 0.00 0.00 51.96 50.57 1s48 s ALA 515 Cb 0.01 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.91 1s48 s ALA 515 CO 0.10 -1.12 0.19 0.20 0.00 0.00 0.00 175.76 175.13 1s48 s GLY 516 N 1.44 1.45 0.07 0.00 0.00 0.94 -4.76 107.32 106.46 1s48 s GLY 516 Ca 0.00 -1.38 -0.26 0.00 0.00 0.00 0.00 44.72 43.08 1s48 s GLY 516 CO 0.02 -1.41 0.74 -1.60 0.00 0.00 0.00 173.10 170.85 1s48 s ARG 517 N -3.73 1.05 0.28 2.90 3.52 -1.26 -0.93 118.95 120.78 1s48 s ARG 517 Ca 0.33 -0.36 -0.30 0.00 -0.13 0.00 0.00 55.73 55.26 1s48 s ARG 517 Cb -0.08 0.48 -0.12 0.00 -1.56 0.00 0.00 34.95 33.67 1s48 s ARG 517 CO 0.25 -0.45 1.48 -0.25 -0.81 0.00 0.00 175.30 175.52 1s48 n ASP 518 N -0.27 3.31 -0.14 -2.12 10.43 -1.26 -4.86 116.55 121.63 1s48 n ASP 518 Ca -0.13 1.16 -0.05 0.00 2.57 0.00 0.00 54.79 58.34 1s48 n ASP 518 Cb 0.63 -1.52 0.04 0.00 1.84 0.00 0.00 41.12 42.11 1s48 n ASP 518 CO 0.00 0.00 0.00 0.74 -1.07 0.00 0.00 177.20 176.87 1s48 h THR 519 N 3.11 0.93 -0.91 -3.53 2.02 -1.21 -2.08 112.91 111.25 1s48 h THR 519 Ca -0.46 -0.14 0.25 0.00 0.77 0.00 0.00 66.41 66.83 1s48 h THR 519 Cb 1.25 0.50 -0.16 0.00 -1.74 0.00 0.00 68.15 68.00 1s48 h THR 519 CO 0.75 0.07 0.13 0.00 0.37 0.00 0.00 175.52 176.84 1s48 h ALA 520 N 1.25 1.19 -0.22 6.16 0.00 -1.90 0.20 119.26 125.95 1s48 h ALA 520 Ca 0.20 0.28 -0.16 0.00 0.00 0.00 0.00 54.91 55.22 1s48 h ALA 520 Cb 0.14 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1s48 h ALA 520 CO -0.16 -0.53 -0.50 0.28 0.00 0.00 0.00 179.25 178.34 1s48 h VAL 521 N 0.10 1.31 0.31 0.00 2.07 -1.76 -1.06 116.25 117.22 1s48 h VAL 521 Ca 0.56 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 1s48 h VAL 521 Cb 1.15 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 1s48 h VAL 521 CO -0.77 0.54 -0.21 0.40 0.02 0.00 0.00 177.57 177.55 1s48 h ILE 522 N 0.44 0.55 -0.86 4.57 2.04 -0.38 0.30 117.51 124.16 1s48 h ILE 522 Ca -0.00 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.00 1s48 h ILE 522 Cb 1.12 0.55 -0.07 0.00 -0.74 0.00 0.00 36.82 37.68 1s48 h ILE 522 CO 0.11 0.00 0.56 -0.07 0.00 0.00 0.00 178.15 178.75 1s48 h LEU 523 N -0.52 0.60 0.57 1.44 3.38 -0.74 -2.31 115.31 117.74 1s48 h LEU 523 Ca -0.03 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1s48 h LEU 523 Cb 0.44 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.11 1s48 h LEU 523 CO 0.01 0.31 -0.27 0.28 0.09 0.00 0.00 178.44 178.86 1s48 h SER 524 N 0.64 -0.65 0.00 -0.43 0.02 -0.13 -1.30 113.55 111.70 1s48 h SER 524 Ca 0.43 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1s48 h SER 524 Cb 0.74 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.44 1s48 h SER 524 CO -0.19 -0.35 0.00 0.29 -1.14 0.00 0.00 176.83 175.45 1s48 n LYS 525 N -5.36 0.10 0.00 3.45 5.02 -0.01 -1.20 118.16 120.17 1s48 n LYS 525 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1s48 n LYS 525 Cb 0.34 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1s48 n LYS 525 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s48 n ALA 527 N 1.30 0.00 1.10 7.82 0.00 -0.49 -1.65 120.51 128.59 1s48 n ALA 527 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1s48 n ALA 527 Cb 0.05 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.64 1s48 n ALA 527 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1s48 n THR 528 N 0.00 0.00 -2.29 0.00 -2.24 -0.34 -1.32 114.28 108.09 1s48 n THR 528 Ca 0.00 -0.29 -0.43 0.00 -2.27 0.00 0.00 64.05 61.06 1s48 n THR 528 Cb 0.00 1.07 -0.02 0.00 -2.10 0.00 0.00 70.33 69.28 1s48 n THR 528 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1s48 s ARG 529 N -2.33 3.59 -0.22 -0.78 3.52 -0.66 -4.93 118.95 117.14 1s48 s ARG 529 Ca 0.24 1.10 -0.02 0.00 -0.13 0.00 0.00 55.73 56.91 1s48 s ARG 529 Cb 0.19 -4.04 0.01 0.00 -1.56 0.00 0.00 34.95 29.55 1s48 s ARG 529 CO 0.48 -1.55 -0.09 -0.51 -0.81 0.00 0.00 175.30 172.82 1s48 s LEU 530 N 5.54 2.82 -0.03 -0.88 1.02 -1.26 -4.74 118.68 121.14 1s48 s LEU 530 Ca 0.64 -0.63 -0.25 0.00 0.02 0.00 0.00 54.13 53.91 1s48 s LEU 530 Cb -0.16 -1.65 -0.04 0.00 0.02 0.00 0.00 46.19 44.36 1s48 s LEU 530 CO 0.32 -0.06 0.79 -0.62 0.02 0.00 0.00 176.35 176.80 1s48 s ASP 531 N 1.38 7.13 -0.34 2.29 -1.08 -1.26 -4.90 116.67 119.88 1s48 s ASP 531 Ca 0.04 1.36 -0.04 0.00 -0.52 0.00 0.00 52.55 53.39 1s48 s ASP 531 Cb -0.15 -2.46 0.03 0.00 -1.46 0.00 0.00 42.92 38.88 1s48 s ASP 531 CO -0.06 -0.13 2.76 -1.20 0.52 0.00 0.00 175.17 177.05 1s48 n SER 532 N 3.66 6.24 -1.54 -0.34 7.64 -1.26 -4.03 113.62 123.98 1s48 n SER 532 Ca 0.01 -3.04 -0.11 0.00 1.01 0.00 0.00 58.87 56.74 1s48 n SER 532 Cb 0.51 -1.23 0.08 0.00 -1.01 0.00 0.00 64.21 62.56 1s48 n SER 532 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1s48 n SER 533 N 1.06 3.34 0.00 6.43 2.88 -1.26 -4.72 113.62 121.34 1s48 n SER 533 Ca 0.43 -2.71 0.00 0.00 -1.33 0.00 0.00 58.87 55.26 1s48 n SER 533 Cb 0.62 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 1s48 n SER 533 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s48 n GLY 534 N -0.22 0.61 2.66 0.46 0.00 -1.26 -4.91 105.19 102.52 1s48 n GLY 534 Ca 0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 1s48 n GLY 534 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1s48 n GLU 535 N 0.00 0.00 0.00 1.61 2.13 -1.26 -4.75 120.64 118.37 1s48 n GLU 535 Ca 0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 1s48 n GLU 535 Cb 0.00 -0.81 0.03 0.00 0.27 0.00 0.00 31.44 30.93 1s48 n GLU 535 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1s48 n ARG 536 N 1.14 0.03 -1.60 5.31 3.00 -1.26 -4.70 116.66 118.59 1s48 n ARG 536 Ca 0.08 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 57.95 1s48 n ARG 536 Cb 0.35 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.31 1s48 n ARG 536 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1s48 n GLY 537 N -0.95 -4.67 0.00 5.14 0.00 -1.26 -5.04 105.19 98.41 1s48 n GLY 537 Ca 0.01 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1s48 n GLY 537 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s48 n THR 538 N -0.71 0.00 -1.23 2.61 -2.24 -1.26 -4.97 114.28 106.47 1s48 n THR 538 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1s48 n THR 538 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1s48 n THR 538 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1s48 n THR 539 N 0.00 0.00 0.81 4.28 -2.24 -1.26 -4.51 114.28 111.36 1s48 n THR 539 Ca 0.00 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.87 1s48 n THR 539 Cb 0.00 1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 69.25 1s48 n THR 539 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s48 n ALA 540 N 0.00 3.47 -0.07 6.98 0.00 -1.26 -3.75 120.51 125.88 1s48 n ALA 540 Ca 0.00 -0.56 -0.12 0.00 0.00 0.00 0.00 53.44 52.76 1s48 n ALA 540 Cb 0.41 -0.64 -0.06 0.00 0.00 0.00 0.00 19.45 19.16 1s48 n ALA 540 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1s48 n TYR 541 N -0.33 0.00 0.30 0.00 9.36 -1.26 0.56 117.16 125.79 1s48 n TYR 541 Ca 0.07 0.00 0.18 0.00 3.32 0.00 0.00 57.90 61.46 1s48 n TYR 541 Cb 0.36 -0.56 0.94 0.00 -0.63 0.00 0.00 39.34 39.45 1s48 n TYR 541 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1s48 h GLU 542 N -0.16 0.00 0.06 2.98 5.08 -1.79 0.47 114.58 121.21 1s48 h GLU 542 Ca -0.35 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.81 1s48 h GLU 542 Cb 1.46 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.73 1s48 h GLU 542 CO -0.10 0.03 -0.83 0.87 -1.00 0.00 0.00 179.01 177.98 1s48 h LYS 543 N 0.00 0.47 -0.27 2.33 1.57 -1.77 -1.43 116.57 117.46 1s48 h LYS 543 Ca -0.00 -0.58 -0.05 0.00 -1.87 0.00 0.00 60.65 58.15 1s48 h LYS 543 Cb 0.17 0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1s48 h LYS 543 CO 0.00 1.22 -0.05 0.00 -0.57 0.00 0.00 179.45 180.06 1s48 h ALA 544 N 0.27 1.41 -0.05 3.86 0.00 -1.36 0.16 119.26 123.55 1s48 h ALA 544 Ca -0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1s48 h ALA 544 Cb 1.56 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1s48 h ALA 544 CO 0.16 0.41 -0.04 0.28 0.00 0.00 0.00 179.25 180.06 1s48 h VAL 545 N 0.41 1.36 -0.96 0.00 2.07 -0.93 -0.14 116.25 118.05 1s48 h VAL 545 Ca 0.09 -1.13 0.01 0.00 0.82 0.00 0.00 66.70 66.49 1s48 h VAL 545 Cb 0.35 2.01 -0.05 0.00 -1.52 0.00 0.00 31.29 32.08 1s48 h VAL 545 CO 0.01 0.31 0.63 0.00 0.02 0.00 0.00 177.57 178.55 1s48 h ALA 546 N 0.57 1.21 -0.60 1.67 0.00 -0.95 0.31 119.26 121.48 1s48 h ALA 546 Ca 0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1s48 h ALA 546 Cb 0.51 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1s48 h ALA 546 CO 0.01 0.60 0.28 0.35 0.00 0.00 0.00 179.25 180.49 1s48 h PHE 547 N 1.30 0.88 -0.55 0.00 3.57 -0.60 0.10 116.94 121.63 1s48 h PHE 547 Ca 0.35 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.74 1s48 h PHE 547 Cb -0.15 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.30 1s48 h PHE 547 CO -0.00 0.68 0.11 0.77 -2.23 0.00 0.00 178.31 177.63 1s48 h SER 548 N 0.82 0.81 1.54 0.41 0.02 0.21 -1.86 113.55 115.50 1s48 h SER 548 Ca 0.20 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1s48 h SER 548 Cb 0.14 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 1s48 h SER 548 CO -0.02 0.81 -0.15 -0.26 -1.14 0.00 0.00 176.83 176.06 1s48 h PHE 549 N 0.82 0.00 0.27 3.45 -1.00 -0.05 -3.26 116.94 117.17 1s48 h PHE 549 Ca 0.18 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.94 1s48 h PHE 549 Cb 0.34 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.90 1s48 h PHE 549 CO 0.02 0.15 -0.13 1.25 -1.61 0.00 0.00 178.31 177.99 1s48 h LEU 550 N 0.00 -0.31 -0.15 1.54 6.46 -0.01 0.23 115.31 123.08 1s48 h LEU 550 Ca -0.00 -0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 1s48 h LEU 550 Cb 0.96 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.97 1s48 h LEU 550 CO 0.02 0.08 0.00 0.18 -0.62 0.00 0.00 178.44 178.10 1s48 n LEU 551 N -5.09 0.00 -1.54 2.25 4.77 -0.88 -1.78 117.00 114.73 1s48 n LEU 551 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1s48 n LEU 551 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1s48 n LEU 551 CO 0.30 0.00 0.00 -1.22 -1.33 0.00 0.00 177.39 175.14 1s48 n TYR 553 N -0.17 0.00 0.26 -1.77 4.02 0.81 -4.86 117.16 115.46 1s48 n TYR 553 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.04 1s48 n TYR 553 Cb 0.00 -0.02 0.86 0.00 -0.02 0.00 0.00 39.34 40.16 1s48 n TYR 553 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1s48 h SER 554 N 1.16 0.00 0.39 7.72 4.64 -1.53 0.00 113.55 125.93 1s48 h SER 554 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s48 h SER 554 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1s48 h SER 554 CO 0.00 0.00 0.00 -2.67 -0.87 0.00 0.00 176.83 173.29 1s48 n TRP 555 N -3.90 0.00 -3.52 4.77 4.27 -1.26 -4.41 117.44 113.39 1s48 n TRP 555 Ca -0.01 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.18 1s48 n TRP 555 Cb 0.16 -0.42 -0.08 0.00 -1.36 0.00 0.00 31.31 29.61 1s48 n TRP 555 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 1s48 s ASN 556 N -2.84 5.78 0.17 -0.67 2.47 -0.01 -4.86 114.94 114.98 1s48 s ASN 556 Ca 0.09 -1.77 -0.25 0.00 0.42 0.00 0.00 52.86 51.35 1s48 s ASN 556 Cb 0.09 -2.04 0.05 0.00 -1.45 0.00 0.00 41.25 37.90 1s48 s ASN 556 CO 0.23 -0.68 1.57 -0.65 -3.72 0.00 0.00 177.10 173.85 1s48 h PRO 557 N 8.52 -0.21 0.11 0.43 0.11 -1.84 0.65 132.00 139.76 1s48 h PRO 557 Ca -0.23 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.91 1s48 h PRO 557 Cb 1.08 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 1s48 h PRO 557 CO 0.86 -0.14 -0.32 1.25 -0.21 0.00 0.00 178.00 179.44 1s48 h LEU 558 N -0.22 -0.93 -0.37 2.35 6.46 -1.95 0.38 115.31 121.03 1s48 h LEU 558 Ca 0.19 0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 58.05 1s48 h LEU 558 Cb 0.56 0.36 -0.02 0.00 -0.73 0.00 0.00 40.66 40.83 1s48 h LEU 558 CO -0.68 -0.41 0.20 0.58 -0.62 0.00 0.00 178.44 177.52 1s48 h VAL 559 N -0.54 1.14 -0.54 1.05 2.07 -1.75 -1.89 116.25 115.78 1s48 h VAL 559 Ca 0.03 -0.36 0.08 0.00 0.82 0.00 0.00 66.70 67.27 1s48 h VAL 559 Cb 0.58 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 1s48 h VAL 559 CO -0.20 0.14 0.20 -0.09 0.02 0.00 0.00 177.57 177.65 1s48 h ARG 560 N 0.47 0.37 -0.34 1.57 2.43 0.68 -1.38 114.38 118.18 1s48 h ARG 560 Ca 0.13 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.17 1s48 h ARG 560 Cb 0.05 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1s48 h ARG 560 CO -0.02 0.24 -0.23 0.00 -1.51 0.00 0.00 179.97 178.46 1s48 h ARG 561 N 0.38 0.67 -0.74 0.20 3.08 -0.75 -1.58 114.38 115.64 1s48 h ARG 561 Ca 0.27 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1s48 h ARG 561 Cb 0.30 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 1s48 h ARG 561 CO -0.27 0.84 0.26 0.82 -1.07 0.00 0.00 179.97 180.55 1s48 h ILE 562 N 0.59 1.26 0.25 2.04 2.04 -0.72 -1.55 117.51 121.42 1s48 h ILE 562 Ca 0.08 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 1s48 h ILE 562 Cb 0.70 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1s48 h ILE 562 CO 0.05 0.34 -0.12 0.00 0.00 0.00 0.00 178.15 178.43 1s48 h LEU 564 N -0.42 0.52 -0.01 0.00 3.38 -1.02 0.22 115.31 117.99 1s48 h LEU 564 Ca -0.03 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s48 h LEU 564 Cb 0.32 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1s48 h LEU 564 CO 0.06 0.24 -0.00 -0.07 0.09 0.00 0.00 178.44 178.75 1s48 h LEU 565 N 0.54 0.02 -0.97 1.67 3.38 -1.04 -1.92 115.31 117.00 1s48 h LEU 565 Ca 0.45 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1s48 h LEU 565 Cb 0.92 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.60 1s48 h LEU 565 CO -0.19 0.40 0.62 0.58 0.09 0.00 0.00 178.44 179.95 1s48 h VAL 566 N -0.36 1.12 0.00 1.22 2.07 -0.52 -0.89 116.25 118.90 1s48 h VAL 566 Ca 0.00 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1s48 h VAL 566 Cb 0.39 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1s48 h VAL 566 CO 0.00 0.21 0.00 -0.07 0.02 0.00 0.00 177.57 177.73 1s48 h LEU 567 N 1.17 0.00 -0.55 2.57 3.38 -0.52 -2.58 115.31 118.78 1s48 h LEU 567 Ca 0.40 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.32 1s48 h LEU 567 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1s48 h LEU 567 CO -0.15 0.00 -0.22 0.28 0.09 0.00 0.00 178.44 178.44 1s48 h SER 568 N 0.00 0.00 -3.71 -0.43 0.02 -0.33 -3.46 113.55 105.65 1s48 h SER 568 Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 1s48 h SER 568 Cb 0.46 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.02 1s48 h SER 568 CO 0.00 0.22 0.51 -1.10 -1.14 0.00 0.00 176.83 175.32 1s48 s GLN 569 N -3.34 4.58 -0.91 3.45 -0.21 -0.97 -4.29 119.66 117.96 1s48 s GLN 569 Ca 0.03 1.84 -0.08 0.00 0.02 0.00 0.00 55.36 57.18 1s48 s GLN 569 Cb 0.08 -3.20 0.01 0.00 1.00 0.00 0.00 33.01 30.89 1s48 s GLN 569 CO 0.67 0.09 0.64 1.04 -2.12 0.00 0.00 175.29 175.61 1s48 n GLN 570 N 1.62 -1.26 -0.27 2.91 6.02 -1.26 -4.86 117.38 120.27 1s48 n GLN 570 Ca 0.01 0.68 0.20 0.00 -0.01 0.00 0.00 57.00 57.88 1s48 n GLN 570 Cb 0.45 -2.79 0.50 0.00 1.02 0.00 0.00 30.24 29.42 1s48 n GLN 570 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1s48 h PRO 571 N -0.75 0.41 -1.20 -1.09 0.11 -1.89 -2.50 132.00 125.09 1s48 h PRO 571 Ca -0.59 -0.02 -0.29 0.00 0.11 0.00 0.00 66.00 65.21 1s48 h PRO 571 Cb 1.36 -0.09 -0.15 0.00 0.11 0.00 0.00 31.00 32.23 1s48 h PRO 571 CO 0.40 0.27 0.37 0.39 -0.21 0.00 0.00 178.00 179.21 1s48 n GLU 572 N -4.54 1.70 -3.69 1.05 1.02 -1.26 -4.70 120.64 110.22 1s48 n GLU 572 Ca 0.21 -1.53 -0.28 0.00 -0.02 0.00 0.00 57.16 55.54 1s48 n GLU 572 Cb 0.73 -1.60 -0.16 0.00 -0.02 0.00 0.00 31.44 30.39 1s48 n GLU 572 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1s48 s THR 573 N -1.91 0.38 0.90 2.62 -4.23 -0.94 -5.14 115.64 107.32 1s48 s THR 573 Ca 0.29 -0.63 -0.13 0.00 -1.18 0.00 0.00 61.69 60.04 1s48 s THR 573 Cb 0.24 -1.03 0.04 0.00 1.34 0.00 0.00 72.50 73.09 1s48 s THR 573 CO 0.03 -0.36 0.58 0.47 -0.54 0.00 0.00 174.62 174.81 1s48 n ASP 574 N 5.09 -1.38 -4.85 3.99 8.00 -1.26 -4.91 116.55 121.23 1s48 n ASP 574 Ca -0.07 0.41 -0.31 0.00 0.71 0.00 0.00 54.79 55.52 1s48 n ASP 574 Cb 0.46 -1.27 0.03 0.00 -0.02 0.00 0.00 41.12 40.32 1s48 n ASP 574 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1s48 s PRO 575 N -3.65 3.28 0.63 -0.24 0.04 -1.26 -4.71 135.00 129.09 1s48 s PRO 575 Ca 0.61 0.80 -0.14 0.00 0.04 0.00 0.00 61.00 62.31 1s48 s PRO 575 Cb -0.24 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 1s48 s PRO 575 CO 0.63 -0.81 1.07 0.45 0.04 0.00 0.00 177.00 178.38 1s48 s SER 576 N -4.05 5.51 0.00 6.66 0.15 2.26 -4.95 113.70 119.29 1s48 s SER 576 Ca 0.56 1.82 0.20 0.00 0.70 0.00 0.00 55.95 59.23 1s48 s SER 576 Cb -0.12 -2.53 0.47 0.00 -1.71 0.00 0.00 66.02 62.13 1s48 s SER 576 CO 0.54 -1.35 1.40 0.29 1.20 0.00 0.00 173.24 175.32 1s48 n LYS 577 N -2.36 2.57 -0.32 5.44 5.02 -1.26 -4.33 118.16 122.91 1s48 n LYS 577 Ca 0.09 -2.34 0.07 0.00 -2.02 0.00 0.00 58.31 54.11 1s48 n LYS 577 Cb 0.53 -1.47 0.22 0.00 -0.02 0.00 0.00 35.03 34.29 1s48 n LYS 577 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1s48 n HIS 578 N 1.30 0.81 -3.04 2.13 8.25 -1.26 -3.57 115.22 119.84 1s48 n HIS 578 Ca 0.19 -0.36 -0.17 0.00 -0.26 0.00 0.00 57.72 57.13 1s48 n HIS 578 Cb 0.56 -0.09 0.06 0.00 1.12 0.00 0.00 29.99 31.64 1s48 n HIS 578 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s48 n ALA 579 N 0.79 1.06 0.33 -1.41 0.00 -1.26 -4.91 120.51 115.11 1s48 n ALA 579 Ca 0.17 -1.81 -0.16 0.00 0.00 0.00 0.00 53.44 51.63 1s48 n ALA 579 Cb 0.51 0.49 -0.08 0.00 0.00 0.00 0.00 19.45 20.37 1s48 n ALA 579 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1s48 h THR 580 N 0.09 0.33 -2.66 0.00 2.02 -1.90 -3.36 112.91 107.42 1s48 h THR 580 Ca -0.23 -0.19 -0.53 0.00 0.77 0.00 0.00 66.41 66.23 1s48 h THR 580 Cb 1.08 0.39 -0.15 0.00 -1.74 0.00 0.00 68.15 67.73 1s48 h THR 580 CO 0.33 0.02 -0.75 -0.31 0.37 0.00 0.00 175.52 175.19 1s48 s TYR 581 N -5.47 1.98 0.17 3.16 1.51 -1.26 -2.36 117.35 115.08 1s48 s TYR 581 Ca -0.16 -0.45 -0.04 0.00 -1.01 0.00 0.00 57.07 55.41 1s48 s TYR 581 Cb 0.03 -0.90 -0.03 0.00 -0.11 0.00 0.00 41.96 40.95 1s48 s TYR 581 CO 0.56 0.51 0.16 1.52 -1.11 0.00 0.00 175.55 177.19 1s48 s TYR 582 N -2.64 0.81 0.21 2.71 -0.85 0.81 -4.42 117.35 113.97 1s48 s TYR 582 Ca 0.25 -1.13 0.09 0.00 -0.52 0.00 0.00 57.07 55.75 1s48 s TYR 582 Cb -0.03 -0.36 -0.05 0.00 0.38 0.00 0.00 41.96 41.90 1s48 s TYR 582 CO 0.10 -0.64 -0.16 1.52 -1.52 0.00 0.00 175.55 174.85 1s48 s TYR 583 N -4.06 1.82 -0.05 -3.49 -0.85 -1.26 -1.13 117.35 108.34 1s48 s TYR 583 Ca 0.27 -0.51 0.05 0.00 -0.52 0.00 0.00 57.07 56.36 1s48 s TYR 583 Cb 0.06 -0.85 -0.01 0.00 0.38 0.00 0.00 41.96 41.54 1s48 s TYR 583 CO 0.05 0.40 -0.21 0.15 -1.52 0.00 0.00 175.55 174.43 1s48 s LYS 584 N -3.40 2.11 3.81 -3.49 1.02 -0.11 -4.69 119.74 114.99 1s48 s LYS 584 Ca 0.22 -0.74 0.00 0.00 0.02 0.00 0.00 55.97 55.47 1s48 s LYS 584 Cb -0.03 -1.82 0.00 0.00 -0.52 0.00 0.00 37.83 35.47 1s48 s LYS 584 CO 0.08 0.31 0.00 0.41 -0.92 0.00 0.00 175.35 175.23 1s48 n GLY 585 N 3.04 0.35 3.70 -3.33 0.00 -1.26 -0.17 105.19 107.51 1s48 n GLY 585 Ca -0.18 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 1s48 n GLY 585 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s48 s ASP 586 N -4.00 6.99 0.13 1.61 3.68 0.44 -4.92 116.67 120.60 1s48 s ASP 586 Ca 0.00 1.20 -0.26 0.00 2.13 0.00 0.00 52.55 55.62 1s48 s ASP 586 Cb 0.00 -2.44 -0.03 0.00 -1.45 0.00 0.00 42.92 39.00 1s48 s ASP 586 CO 0.00 -0.24 1.61 -0.65 0.13 0.00 0.00 175.17 176.02 1s48 h PRO 587 N 7.01 -0.40 -0.28 4.34 0.11 -1.88 0.72 132.00 141.62 1s48 h PRO 587 Ca -0.36 0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 1s48 h PRO 587 Cb 1.17 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1s48 h PRO 587 CO 0.78 -0.27 0.12 0.82 -0.21 0.00 0.00 178.00 179.24 1s48 h ILE 588 N -0.42 1.11 -0.22 4.15 1.08 -1.93 0.52 117.51 121.80 1s48 h ILE 588 Ca 0.09 -0.32 -0.05 0.00 -0.39 0.00 0.00 64.86 64.18 1s48 h ILE 588 Cb 0.55 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 35.07 1s48 h ILE 588 CO -0.33 0.13 -0.07 1.23 -0.69 0.00 0.00 178.15 178.41 1s48 h GLY 589 N 0.51 0.47 1.16 5.37 0.00 -1.24 -2.97 103.07 106.37 1s48 h GLY 589 Ca 0.10 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1s48 h GLY 589 CO -0.01 0.37 0.36 0.00 0.00 0.00 0.00 176.54 177.26 1s48 h ALA 590 N 0.73 1.21 -0.58 3.60 0.00 0.19 -2.29 119.26 122.12 1s48 h ALA 590 Ca 0.05 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.91 1s48 h ALA 590 Cb 0.54 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1s48 h ALA 590 CO 0.03 0.60 0.19 -0.92 0.00 0.00 0.00 179.25 179.15 1s48 h TYR 591 N 1.08 0.33 -0.61 0.00 3.20 0.07 0.60 116.97 121.63 1s48 h TYR 591 Ca 0.26 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.17 1s48 h TYR 591 Cb 0.11 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 1s48 h TYR 591 CO 0.01 0.07 0.40 -0.22 -1.64 0.00 0.00 178.16 176.78 1s48 h LYS 592 N 0.36 0.81 -0.80 1.82 1.63 -1.28 -0.79 116.57 118.33 1s48 h LYS 592 Ca 0.29 -0.06 0.19 0.00 -0.85 0.00 0.00 60.65 60.23 1s48 h LYS 592 Cb 0.37 -0.18 -0.14 0.00 -0.60 0.00 0.00 32.23 31.68 1s48 h LYS 592 CO -0.31 0.55 0.05 0.22 -3.45 0.00 0.00 179.45 176.51 1s48 h ASP 593 N 0.83 -0.29 0.01 4.20 -0.00 -0.36 -0.20 116.42 120.60 1s48 h ASP 593 Ca 0.22 0.20 -0.38 0.00 -0.00 0.00 0.00 57.03 57.08 1s48 h ASP 593 Cb -0.08 0.34 -0.07 0.00 -0.00 0.00 0.00 39.33 39.52 1s48 h ASP 593 CO -0.05 -0.18 -2.42 1.33 -0.00 0.00 0.00 179.24 177.92 1s48 n VAL 594 N -5.33 1.45 0.15 2.25 0.24 -1.08 -4.47 118.33 111.53 1s48 n VAL 594 Ca 0.16 -0.72 0.01 0.00 -2.04 0.00 0.00 64.34 61.75 1s48 n VAL 594 Cb 0.53 -0.95 0.20 0.00 -1.47 0.00 0.00 33.84 32.15 1s48 n VAL 594 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1s48 h ILE 595 N 0.00 1.22 0.00 1.34 1.08 -1.09 -3.47 117.51 116.59 1s48 h ILE 595 Ca -0.56 -2.01 0.00 0.00 -0.39 0.00 0.00 64.86 61.90 1s48 h ILE 595 Cb 2.07 2.14 0.00 0.00 -3.07 0.00 0.00 36.82 37.97 1s48 h ILE 595 CO -0.03 0.54 0.00 0.61 -0.69 0.00 0.00 178.15 178.59 1s48 n GLY 596 N 0.40 2.90 3.41 5.37 0.00 -0.09 -5.02 105.19 112.15 1s48 n GLY 596 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1s48 n GLY 596 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s48 s ARG 597 N -0.78 1.56 0.15 1.61 0.52 -1.26 -5.01 118.95 115.75 1s48 s ARG 597 Ca 0.00 -1.85 -0.08 0.00 -0.52 0.00 0.00 55.73 53.28 1s48 s ARG 597 Cb 0.00 -0.72 -0.06 0.00 0.52 0.00 0.00 34.95 34.69 1s48 s ARG 597 CO 0.00 -0.19 0.43 -0.80 0.02 0.00 0.00 175.30 174.76 1s48 s ASN 598 N -3.43 6.58 0.20 0.23 0.02 -1.26 -3.82 114.94 113.46 1s48 s ASN 598 Ca 0.36 0.75 -0.12 0.00 -1.02 0.00 0.00 52.86 52.82 1s48 s ASN 598 Cb 0.08 -2.16 0.24 0.00 0.02 0.00 0.00 41.25 39.43 1s48 s ASN 598 CO 0.14 0.06 1.68 0.25 0.02 0.00 0.00 177.10 179.25 1s48 h LEU 599 N 3.03 -0.17 -2.17 0.60 6.46 -1.87 -0.52 115.31 120.67 1s48 h LEU 599 Ca -0.47 0.12 0.05 0.00 -0.12 0.00 0.00 57.88 57.47 1s48 h LEU 599 Cb 1.17 0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 41.31 1s48 h LEU 599 CO 0.70 -0.06 0.29 0.77 -0.62 0.00 0.00 178.44 179.51 1s48 h SER 600 N 0.15 0.00 0.85 1.25 4.64 -1.88 0.73 113.55 119.28 1s48 h SER 600 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1s48 h SER 600 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1s48 h SER 600 CO -0.44 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 174.90 1s48 n GLU 601 N -3.48 0.04 -2.23 4.77 1.02 -0.20 -4.63 120.64 115.93 1s48 n GLU 601 Ca 0.02 0.06 -0.40 0.00 -0.02 0.00 0.00 57.16 56.82 1s48 n GLU 601 Cb 0.40 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.29 1s48 n GLU 601 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1s48 s LEU 602 N -2.96 3.29 -0.04 -4.62 1.98 0.25 0.09 118.68 116.67 1s48 s LEU 602 Ca 0.14 0.19 0.06 0.00 -2.89 0.00 0.00 54.13 51.63 1s48 s LEU 602 Cb 0.17 -2.69 -0.24 0.00 0.66 0.00 0.00 46.19 44.08 1s48 s LEU 602 CO 0.46 -2.09 0.66 0.50 -1.89 0.00 0.00 176.35 174.00 1s48 h LYS 603 N 12.93 0.09 -2.85 1.98 3.64 -1.29 -3.44 116.57 127.64 1s48 h LYS 603 Ca -0.27 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1s48 h LYS 603 Cb 1.12 0.06 -0.13 0.00 -0.41 0.00 0.00 32.23 32.87 1s48 h LYS 603 CO 1.21 0.77 0.26 0.50 -2.27 0.00 0.00 179.45 179.92 1s48 s ARG 604 N -2.60 1.20 -0.04 1.90 3.52 0.24 -4.96 118.95 118.21 1s48 s ARG 604 Ca -0.09 -0.42 0.06 0.00 -0.13 0.00 0.00 55.73 55.15 1s48 s ARG 604 Cb 0.08 0.55 -0.01 0.00 -1.56 0.00 0.00 34.95 34.01 1s48 s ARG 604 CO 0.82 -0.52 -0.22 0.99 -0.81 0.00 0.00 175.30 175.56 1s48 s THR 605 N -3.56 1.76 -0.49 4.11 2.01 -1.26 -0.00 115.64 118.20 1s48 s THR 605 Ca 0.01 -0.92 -0.45 0.00 0.31 0.00 0.00 61.69 60.64 1s48 s THR 605 Cb -0.01 -1.48 -0.19 0.00 0.01 0.00 0.00 72.50 70.83 1s48 s THR 605 CO -0.12 0.50 1.67 0.61 -0.69 0.00 0.00 174.62 176.59 1s48 n GLY 606 N 2.82 0.12 0.49 4.40 0.00 0.59 -4.82 105.19 108.79 1s48 n GLY 606 Ca -0.17 1.01 -0.18 0.00 0.00 0.00 0.00 46.02 46.68 1s48 n GLY 606 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1s48 h PHE 607 N 5.65 -1.24 0.00 1.61 3.57 -1.97 -1.47 116.94 123.09 1s48 h PHE 607 Ca -0.37 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.12 1s48 h PHE 607 Cb 1.35 0.44 0.00 0.00 2.79 0.00 0.00 35.95 40.53 1s48 h PHE 607 CO 0.70 -0.69 0.00 0.39 -2.23 0.00 0.00 178.31 176.48 1s48 n GLU 608 N -5.38 0.02 -0.08 1.11 -0.58 -1.26 -0.43 120.64 114.04 1s48 n GLU 608 Ca -0.14 0.34 -0.11 0.00 -0.42 0.00 0.00 57.16 56.83 1s48 n GLU 608 Cb 0.47 -1.54 -0.05 0.00 -0.57 0.00 0.00 31.44 29.75 1s48 n GLU 608 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1s48 h LYS 609 N 0.00 0.00 -0.64 3.49 1.63 -1.89 -3.23 116.57 115.92 1s48 h LYS 609 Ca 0.00 0.00 0.13 0.00 -0.85 0.00 0.00 60.65 59.93 1s48 h LYS 609 Cb 0.18 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 31.71 1s48 h LYS 609 CO 0.00 0.37 0.06 1.25 -3.45 0.00 0.00 179.45 177.68 1s48 h LEU 610 N -1.00 -0.17 -0.49 5.20 6.46 -1.12 -1.01 115.31 123.18 1s48 h LEU 610 Ca -0.13 0.15 0.10 0.00 -0.12 0.00 0.00 57.88 57.87 1s48 h LEU 610 Cb 0.80 0.24 -0.10 0.00 -0.73 0.00 0.00 40.66 40.87 1s48 h LEU 610 CO -0.08 -0.08 -0.25 0.00 -0.62 0.00 0.00 178.44 177.41 1s48 h ALA 611 N 1.56 0.07 0.02 1.25 0.00 -0.90 -1.93 119.26 119.33 1s48 h ALA 611 Ca 0.34 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.41 1s48 h ALA 611 Cb 0.56 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1s48 h ALA 611 CO -0.51 -0.60 -0.01 -0.97 0.00 0.00 0.00 179.25 177.17 1s48 h ASN 612 N -0.14 -0.02 0.00 0.00 -0.73 -1.24 -2.34 115.58 111.11 1s48 h ASN 612 Ca 0.22 -0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.34 1s48 h ASN 612 Cb 0.49 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.09 1s48 h ASN 612 CO -0.57 0.04 0.01 0.18 -0.37 0.00 0.00 177.43 176.71 1s48 n LEU 613 N -5.07 0.00 -0.12 0.34 4.77 -0.63 -0.25 117.00 116.03 1s48 n LEU 613 Ca -0.07 0.31 0.05 0.00 -0.03 0.00 0.00 56.01 56.27 1s48 n LEU 613 Cb 0.06 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 40.81 1s48 n LEU 613 CO 0.33 -0.31 0.11 0.59 -1.33 0.00 0.00 177.39 176.77 1s48 n ASN 614 N -1.31 0.85 0.07 -1.43 3.02 -0.79 -0.56 115.26 115.10 1s48 n ASN 614 Ca 0.00 -0.93 -0.12 0.00 -0.03 0.00 0.00 54.58 53.51 1s48 n ASN 614 Cb 0.01 0.71 -0.05 0.00 -0.61 0.00 0.00 39.78 39.84 1s48 n ASN 614 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1s48 h LEU 615 N 0.59 -0.75 -1.77 3.41 3.38 -0.25 -2.50 115.31 117.42 1s48 h LEU 615 Ca 0.00 0.10 0.22 0.00 0.09 0.00 0.00 57.88 58.29 1s48 h LEU 615 Cb 0.28 0.30 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 1s48 h LEU 615 CO 0.00 -0.33 0.59 0.77 0.09 0.00 0.00 178.44 179.57 1s48 h SER 616 N -0.40 0.19 -0.29 -0.43 4.64 -1.84 -1.30 113.55 114.11 1s48 h SER 616 Ca 0.06 0.02 0.08 0.00 -0.47 0.00 0.00 61.79 61.48 1s48 h SER 616 Cb 0.48 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1s48 h SER 616 CO -0.21 0.07 0.36 -0.07 -0.87 0.00 0.00 176.83 176.11 1s48 h LEU 617 N 0.18 0.00 0.01 5.97 3.38 -1.76 -0.09 115.31 123.00 1s48 h LEU 617 Ca 0.43 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.99 1s48 h LEU 617 Cb 1.39 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.08 1s48 h LEU 617 CO -0.09 0.00 -2.33 -1.20 0.09 0.00 0.00 178.44 174.91 1s48 n SER 618 N -3.63 1.96 -0.31 -0.43 7.64 -0.50 -0.67 113.62 117.70 1s48 n SER 618 Ca 0.04 0.21 0.10 0.00 1.01 0.00 0.00 58.87 60.24 1s48 n SER 618 Cb 0.50 -0.73 0.27 0.00 -1.01 0.00 0.00 64.21 63.24 1s48 n SER 618 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1s48 h THR 619 N -0.65 0.62 -0.14 0.44 2.02 -1.35 0.39 112.91 114.24 1s48 h THR 619 Ca -0.61 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.38 1s48 h THR 619 Cb 1.69 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1s48 h THR 619 CO -0.27 0.10 0.00 0.18 0.37 0.00 0.00 175.52 175.90 1s48 n LEU 620 N -4.93 2.05 -3.76 2.58 4.77 -0.08 -4.95 117.00 112.67 1s48 n LEU 620 Ca 0.20 -0.80 -0.25 0.00 -0.03 0.00 0.00 56.01 55.14 1s48 n LEU 620 Cb 0.54 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.59 1s48 n LEU 620 CO 0.18 0.40 0.04 0.61 -1.33 0.00 0.00 177.39 177.28 1s48 n GLY 621 N 1.23 -0.39 0.08 -0.72 0.00 0.14 -4.89 105.19 100.63 1s48 n GLY 621 Ca 0.17 0.16 -0.06 0.00 0.00 0.00 0.00 46.02 46.29 1s48 n GLY 621 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1s48 h VAL 622 N -2.03 1.31 -3.27 1.61 2.07 -1.14 -3.44 116.25 111.37 1s48 h VAL 622 Ca -0.59 -3.02 -0.39 0.00 0.82 0.00 0.00 66.70 63.52 1s48 h VAL 622 Cb 1.37 2.64 -0.14 0.00 -1.52 0.00 0.00 31.29 33.63 1s48 h VAL 622 CO 0.60 0.75 -0.65 -1.66 0.02 0.00 0.00 177.57 176.63 1s48 s TRP 623 N -2.72 1.60 0.32 1.57 1.48 -1.11 -1.59 118.94 118.49 1s48 s TRP 623 Ca -0.00 -0.92 0.08 0.00 -1.06 0.00 0.00 56.10 54.19 1s48 s TRP 623 Cb 0.09 -0.93 -0.03 0.00 -1.16 0.00 0.00 33.47 31.44 1s48 s TRP 623 CO 0.81 -0.03 0.25 0.95 -4.06 0.00 0.00 176.95 174.87 1s48 s THR 624 N -3.40 3.61 -1.49 0.66 -4.23 -1.24 -4.85 115.64 104.70 1s48 s THR 624 Ca 0.29 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 1s48 s THR 624 Cb 0.06 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.71 1s48 s THR 624 CO 0.09 -0.21 0.28 2.29 -0.54 0.00 0.00 174.62 176.53 1s48 n LYS 625 N -1.30 0.37 0.00 3.99 2.85 -1.26 -1.88 118.16 120.93 1s48 n LYS 625 Ca -0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 1s48 n LYS 625 Cb 0.60 -1.10 0.00 0.00 -0.65 0.00 0.00 35.03 33.88 1s48 n LYS 625 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1s48 n HIS 626 N -0.09 0.00 -0.08 5.58 8.25 -1.26 -4.85 115.22 122.78 1s48 n HIS 626 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 1s48 n HIS 626 Cb 0.05 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.07 1s48 n HIS 626 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1s48 h THR 627 N 0.00 0.03 -0.53 1.59 2.02 -1.76 0.13 112.91 114.39 1s48 h THR 627 Ca 0.00 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.28 1s48 h THR 627 Cb 0.00 0.03 -0.11 0.00 -1.74 0.00 0.00 68.15 66.33 1s48 h THR 627 CO 0.00 0.00 -0.24 0.28 0.37 0.00 0.00 175.52 175.93 1s48 h SER 628 N -0.46 -0.84 0.20 4.18 0.02 -1.89 0.67 113.55 115.43 1s48 h SER 628 Ca 0.07 0.19 0.01 0.00 -0.84 0.00 0.00 61.79 61.22 1s48 h SER 628 Cb 0.63 0.45 -0.03 0.00 0.14 0.00 0.00 62.40 63.59 1s48 h SER 628 CO -0.52 -0.26 -0.35 0.50 -1.14 0.00 0.00 176.83 175.05 1s48 h LYS 629 N -0.12 -0.61 -0.46 3.45 3.64 -1.66 -1.84 116.57 118.97 1s48 h LYS 629 Ca 0.24 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.75 1s48 h LYS 629 Cb 0.49 0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 32.37 1s48 h LYS 629 CO -0.60 -0.41 -0.08 0.00 -2.27 0.00 0.00 179.45 176.10 1s48 h ARG 630 N -0.63 0.03 -0.64 1.90 3.08 0.28 -0.00 114.38 118.39 1s48 h ARG 630 Ca 0.01 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1s48 h ARG 630 Cb 0.63 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 1s48 h ARG 630 CO -0.16 0.02 0.33 0.82 -1.07 0.00 0.00 179.97 179.92 1s48 h ILE 631 N 0.03 1.20 -0.60 2.04 1.08 -0.76 0.63 117.51 121.13 1s48 h ILE 631 Ca 0.22 -0.52 -0.07 0.00 -0.39 0.00 0.00 64.86 64.10 1s48 h ILE 631 Cb 0.34 0.35 -0.03 0.00 -3.07 0.00 0.00 36.82 34.42 1s48 h ILE 631 CO -0.44 0.22 0.10 0.40 -0.69 0.00 0.00 178.15 177.74 1s48 h ILE 632 N 0.89 1.25 -0.44 -0.67 2.04 -0.21 -1.78 117.51 118.59 1s48 h ILE 632 Ca 0.23 -0.97 -0.14 0.00 1.00 0.00 0.00 64.86 64.98 1s48 h ILE 632 Cb 0.05 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1s48 h ILE 632 CO -0.03 0.36 -0.27 1.56 0.00 0.00 0.00 178.15 179.77 1s48 h GLN 633 N 0.92 0.95 -0.71 2.37 4.20 -0.24 -1.61 115.11 120.99 1s48 h GLN 633 Ca 0.19 -0.43 0.04 0.00 0.06 0.00 0.00 58.65 58.51 1s48 h GLN 633 Cb 0.40 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 1s48 h GLN 633 CO 0.01 1.09 0.47 -0.44 -0.67 0.00 0.00 178.83 179.29 1s48 h ASP 634 N 0.81 0.72 0.17 1.46 3.45 -0.43 -1.20 116.42 121.39 1s48 h ASP 634 Ca 0.09 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.54 1s48 h ASP 634 Cb 0.85 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.46 1s48 h ASP 634 CO 0.07 0.49 -0.08 0.00 -1.57 0.00 0.00 179.24 178.15 1s48 h VAL 636 N -0.85 0.08 -0.81 0.00 2.07 -1.01 -0.92 116.25 114.81 1s48 h VAL 636 Ca -0.02 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.63 1s48 h VAL 636 Cb 0.52 0.08 -0.13 0.00 -1.52 0.00 0.00 31.29 30.24 1s48 h VAL 636 CO 0.04 0.00 -0.30 0.00 0.02 0.00 0.00 177.57 177.33 1s48 n ALA 637 N -3.03 -0.05 -0.14 1.67 0.00 -0.48 -0.38 120.51 118.09 1s48 n ALA 637 Ca -0.03 0.82 -0.10 0.00 0.00 0.00 0.00 53.44 54.13 1s48 n ALA 637 Cb 0.36 -0.39 -0.01 0.00 0.00 0.00 0.00 19.45 19.41 1s48 n ALA 637 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1s48 h ILE 638 N 0.00 1.26 -0.39 0.00 2.04 -1.25 -3.26 117.51 115.92 1s48 h ILE 638 Ca 0.30 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 65.10 1s48 h ILE 638 Cb 0.50 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1s48 h ILE 638 CO -0.81 0.36 0.00 0.61 0.00 0.00 0.00 178.15 178.31 1s48 n GLY 639 N -0.33 1.14 0.04 5.37 0.00 0.48 -4.56 105.19 107.33 1s48 n GLY 639 Ca -0.01 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.55 1s48 n GLY 639 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s48 h LYS 640 N 2.31 -0.10 -6.71 1.61 1.57 -1.19 -3.45 116.57 110.62 1s48 h LYS 640 Ca 0.00 0.01 -0.57 0.00 -1.87 0.00 0.00 60.65 58.22 1s48 h LYS 640 Cb 0.68 0.02 0.10 0.00 0.08 0.00 0.00 32.23 33.11 1s48 h LYS 640 CO 0.05 -0.07 0.52 -0.85 -0.57 0.00 0.00 179.45 178.53 1s48 n GLU 641 N -2.44 2.09 -1.45 3.15 0.28 -1.26 -4.83 120.64 116.19 1s48 n GLU 641 Ca -0.01 0.74 -0.57 0.00 -0.16 0.00 0.00 57.16 57.16 1s48 n GLU 641 Cb 0.04 -2.33 -0.08 0.00 1.43 0.00 0.00 31.44 30.50 1s48 n GLU 641 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1s48 n GLU 642 N 0.85 0.00 0.00 3.44 -0.58 -1.26 -4.84 120.64 118.26 1s48 n GLU 642 Ca 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1s48 n GLU 642 Cb 0.35 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 1s48 n GLU 642 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s48 n GLY 643 N 1.78 2.21 3.29 0.62 0.00 -1.26 -5.05 105.19 106.78 1s48 n GLY 643 Ca 0.20 -1.21 -0.45 0.00 0.00 0.00 0.00 46.02 44.56 1s48 n GLY 643 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1s48 s ASN 644 N 0.00 6.46 -0.25 1.61 2.47 -1.26 -4.90 114.94 119.07 1s48 s ASN 644 Ca 0.00 -2.61 -0.12 0.00 0.42 0.00 0.00 52.86 50.55 1s48 s ASN 644 Cb 0.00 -2.15 -0.05 0.00 -1.45 0.00 0.00 41.25 37.60 1s48 s ASN 644 CO 0.00 -0.57 0.23 0.26 -3.72 0.00 0.00 177.10 173.30 1s48 s TRP 645 N 0.30 3.30 -1.84 0.43 0.23 -1.26 -4.95 118.94 115.14 1s48 s TRP 645 Ca 0.16 0.29 0.00 0.00 -2.03 0.00 0.00 56.10 54.52 1s48 s TRP 645 Cb -0.14 -2.37 0.00 0.00 0.03 0.00 0.00 33.47 30.99 1s48 s TRP 645 CO -0.07 -0.03 0.24 -0.11 0.96 0.00 0.00 176.95 177.94 1s48 n LEU 646 N 4.61 0.00 -0.00 2.99 0.00 -1.26 -0.74 117.00 122.61 1s48 n LEU 646 Ca -0.13 0.00 0.10 0.00 0.00 0.00 0.00 56.01 55.98 1s48 n LEU 646 Cb 0.52 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.82 1s48 n LEU 646 CO 0.36 0.00 -0.09 1.33 0.00 0.00 0.00 177.39 178.99 1s48 n VAL 647 N -0.72 0.00 1.82 1.96 0.24 -1.26 -4.08 118.33 116.29 1s48 n VAL 647 Ca 0.00 -0.04 0.15 0.00 -2.04 0.00 0.00 64.34 62.42 1s48 n VAL 647 Cb 0.00 0.94 0.85 0.00 -1.47 0.00 0.00 33.84 34.16 1s48 n VAL 647 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1s48 n LYS 648 N -1.53 0.97 0.00 7.34 4.76 0.08 -3.28 118.16 126.50 1s48 n LYS 648 Ca 0.03 -0.13 0.11 0.00 -2.87 0.00 0.00 58.31 55.45 1s48 n LYS 648 Cb 0.33 -1.50 0.51 0.00 -1.84 0.00 0.00 35.03 32.54 1s48 n LYS 648 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1s48 n PRO 649 N -0.90 0.18 -3.01 1.97 -0.02 -1.26 -4.25 135.00 127.72 1s48 n PRO 649 Ca 0.21 0.10 -0.42 0.00 -2.02 0.00 0.00 63.50 61.38 1s48 n PRO 649 Cb 0.17 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.09 1s48 n PRO 649 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1s48 s ASP 650 N -2.75 6.61 0.15 2.55 2.15 -1.21 -2.73 116.67 121.43 1s48 s ASP 650 Ca 0.16 0.60 -0.26 0.00 0.43 0.00 0.00 52.55 53.48 1s48 s ASP 650 Cb 0.14 -2.38 -0.00 0.00 -0.30 0.00 0.00 42.92 40.38 1s48 s ASP 650 CO 0.36 -0.55 1.59 0.03 -0.17 0.00 0.00 175.17 176.43 1s48 h ARG 651 N 8.11 -0.35 -0.61 4.34 3.08 -1.84 -0.29 114.38 126.82 1s48 h ARG 651 Ca -0.25 0.02 0.11 0.00 0.07 0.00 0.00 59.98 59.93 1s48 h ARG 651 Cb 1.10 0.08 -0.09 0.00 0.08 0.00 0.00 29.97 31.15 1s48 h ARG 651 CO 0.85 -0.24 0.14 1.25 -1.07 0.00 0.00 179.97 180.91 1s48 h LEU 652 N -0.37 0.03 -0.78 3.04 5.85 -1.93 0.32 115.31 121.48 1s48 h LEU 652 Ca 0.12 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.90 1s48 h LEU 652 Cb 0.58 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1s48 h LEU 652 CO -0.47 0.02 0.30 0.40 -0.34 0.00 0.00 178.44 178.35 1s48 h ILE 653 N 0.28 1.26 0.13 4.05 5.03 -1.74 -2.60 117.51 123.92 1s48 h ILE 653 Ca 0.32 -0.83 0.00 0.00 -0.12 0.00 0.00 64.86 64.23 1s48 h ILE 653 Cb 0.47 0.35 -0.01 0.00 -3.03 0.00 0.00 36.82 34.59 1s48 h ILE 653 CO -0.39 0.34 -0.12 -1.28 -0.68 0.00 0.00 178.15 176.01 1s48 h SER 654 N 1.13 -0.32 -0.27 1.72 0.87 0.75 -1.40 113.55 116.04 1s48 h SER 654 Ca 0.26 0.03 0.08 0.00 -1.23 0.00 0.00 61.79 60.93 1s48 h SER 654 Cb 0.23 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 1s48 h SER 654 CO -0.02 -0.19 0.20 0.77 -0.53 0.00 0.00 176.83 177.06 1s48 h SER 655 N -0.27 0.00 1.19 6.23 4.64 -0.92 0.83 113.55 125.25 1s48 h SER 655 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1s48 h SER 655 Cb 0.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1s48 h SER 655 CO -0.03 0.00 -0.84 0.11 -0.87 0.00 0.00 176.83 175.20 1s48 h LYS 656 N 0.00 0.00 0.00 4.77 1.57 -0.98 -3.30 116.57 118.63 1s48 h LYS 656 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1s48 h LYS 656 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1s48 h LYS 656 CO -0.00 0.54 -1.40 0.25 -0.57 0.00 0.00 179.45 178.27 1s48 n THR 657 N -3.16 0.00 -0.97 -0.16 -2.24 -0.60 -4.97 114.28 102.18 1s48 n THR 657 Ca -0.02 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1s48 n THR 657 Cb 0.81 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 1s48 n THR 657 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s48 n GLY 658 N 1.41 0.47 3.54 3.38 0.00 0.28 -4.90 105.19 109.37 1s48 n GLY 658 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1s48 n GLY 658 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1s48 s HIS 659 N -2.12 2.71 0.55 1.61 3.76 -1.16 -5.00 115.29 115.64 1s48 s HIS 659 Ca 0.00 -0.16 0.08 0.00 -0.15 0.00 0.00 55.06 54.83 1s48 s HIS 659 Cb 0.00 -1.47 0.07 0.00 1.11 0.00 0.00 32.58 32.29 1s48 s HIS 659 CO 0.00 0.37 0.66 -0.51 -0.85 0.00 0.00 174.74 174.41 1s48 s LEU 660 N -1.84 3.05 -0.17 0.89 1.43 -1.26 -4.47 118.68 116.30 1s48 s LEU 660 Ca 0.18 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 1s48 s LEU 660 Cb -0.11 -1.60 0.03 0.00 0.03 0.00 0.00 46.19 44.55 1s48 s LEU 660 CO 0.10 -1.22 -0.10 -0.47 0.23 0.00 0.00 176.35 174.89 1s48 s TYR 661 N -2.67 2.05 -0.54 0.29 5.04 -1.26 -4.51 117.35 115.75 1s48 s TYR 661 Ca 0.54 -1.25 -0.17 0.00 -2.44 0.00 0.00 57.07 53.75 1s48 s TYR 661 Cb -0.05 -1.50 0.11 0.00 0.35 0.00 0.00 41.96 40.87 1s48 s TYR 661 CO 0.34 -0.66 0.54 0.42 -1.34 0.00 0.00 175.55 174.84 1s48 s ILE 662 N 1.52 5.10 0.79 3.14 1.09 -1.26 -4.90 121.20 126.69 1s48 s ILE 662 Ca 0.02 -1.23 -0.14 0.00 -1.10 0.00 0.00 60.65 58.21 1s48 s ILE 662 Cb -0.15 -4.33 0.08 0.00 -1.06 0.00 0.00 42.46 37.00 1s48 s ILE 662 CO -0.09 -0.87 1.21 -2.84 -0.10 0.00 0.00 174.94 172.25 1s48 s PRO 663 N 1.94 1.70 0.22 2.79 0.02 -1.26 -5.06 135.00 135.35 1s48 s PRO 663 Ca 0.06 1.78 0.10 0.00 0.02 0.00 0.00 61.00 62.97 1s48 s PRO 663 Cb -0.27 -1.78 -0.04 0.00 0.02 0.00 0.00 34.50 32.43 1s48 s PRO 663 CO 0.05 -2.17 -0.15 -0.51 -0.33 0.00 0.00 177.00 173.89 1s48 s ASP 664 N -2.10 3.92 0.68 2.53 1.01 -1.26 -5.01 116.67 116.44 1s48 s ASP 664 Ca 0.74 -0.76 -0.17 0.00 0.71 0.00 0.00 52.55 53.07 1s48 s ASP 664 Cb -0.29 -0.52 -0.09 0.00 1.01 0.00 0.00 42.92 43.03 1s48 s ASP 664 CO 0.50 0.08 0.14 0.29 0.21 0.00 0.00 175.17 176.39 1s48 n LYS 665 N -0.16 0.19 -3.53 8.23 5.02 -1.26 -4.03 118.16 122.63 1s48 n LYS 665 Ca -0.10 0.08 -0.14 0.00 -2.02 0.00 0.00 58.31 56.14 1s48 n LYS 665 Cb 0.57 -1.45 -0.05 0.00 -0.02 0.00 0.00 35.03 34.09 1s48 n LYS 665 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1s48 s GLY 666 N -1.23 -0.50 -0.02 0.72 0.00 -1.26 -0.42 107.32 104.61 1s48 s GLY 666 Ca 0.60 0.70 0.01 0.00 0.00 0.00 0.00 44.72 46.02 1s48 s GLY 666 CO 0.64 0.38 -0.01 -1.36 0.00 0.00 0.00 173.10 172.75 1s48 s PHE 667 N -2.56 0.25 0.21 1.90 0.40 0.76 -3.60 117.98 115.34 1s48 s PHE 667 Ca -0.05 -0.01 -0.16 0.00 -0.60 0.00 0.00 56.93 56.12 1s48 s PHE 667 Cb -0.01 -0.27 -0.08 0.00 0.51 0.00 0.00 43.02 43.18 1s48 s PHE 667 CO -0.02 -0.07 0.63 0.99 0.70 0.00 0.00 175.22 177.45 1s48 s THR 668 N 0.51 4.75 0.09 0.64 2.01 -1.26 -0.94 115.64 121.44 1s48 s THR 668 Ca -0.05 0.95 -0.14 0.00 0.31 0.00 0.00 61.69 62.76 1s48 s THR 668 Cb -0.08 -3.74 0.02 0.00 0.01 0.00 0.00 72.50 68.71 1s48 s THR 668 CO -0.01 0.13 0.32 -0.76 -0.69 0.00 0.00 174.62 173.61 1s48 s LEU 669 N -2.22 0.80 0.00 4.42 1.43 -0.28 -4.97 118.68 117.85 1s48 s LEU 669 Ca 0.43 -0.36 -0.06 0.00 -1.03 0.00 0.00 54.13 53.11 1s48 s LEU 669 Cb -0.14 1.50 0.17 0.00 0.03 0.00 0.00 46.19 47.74 1s48 s LEU 669 CO 0.20 -0.75 1.08 0.00 0.23 0.00 0.00 176.35 177.11 1s48 n GLN 670 N 0.05 -0.53 0.00 1.70 6.02 -1.26 -0.13 117.38 123.23 1s48 n GLN 670 Ca -0.16 -2.37 0.00 0.00 -0.01 0.00 0.00 57.00 54.45 1s48 n GLN 670 Cb 0.62 -0.89 0.00 0.00 1.02 0.00 0.00 30.24 30.99 1s48 n GLN 670 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s48 n GLY 671 N -2.73 1.36 3.34 1.08 0.00 -1.00 -4.54 105.19 102.70 1s48 n GLY 671 Ca 0.16 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.71 1s48 n GLY 671 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s48 s LYS 672 N 2.40 3.49 0.43 1.61 2.20 -1.23 -5.00 119.74 123.64 1s48 s LYS 672 Ca 0.00 -2.23 -0.13 0.00 -0.36 0.00 0.00 55.97 53.25 1s48 s LYS 672 Cb 0.00 -4.46 -0.07 0.00 -1.51 0.00 0.00 37.83 31.79 1s48 s LYS 672 CO 0.00 -1.36 0.84 -3.38 -0.36 0.00 0.00 175.35 171.09 1s48 s HIS 673 N 0.75 3.45 -0.04 4.03 -3.43 -1.25 -5.01 115.29 113.80 1s48 s HIS 673 Ca 0.17 1.21 -0.01 0.00 -0.80 0.00 0.00 55.06 55.63 1s48 s HIS 673 Cb -0.13 -2.57 -0.00 0.00 -1.43 0.00 0.00 32.58 28.44 1s48 s HIS 673 CO -0.07 -0.17 -0.02 1.88 -2.00 0.00 0.00 174.74 174.36 1s48 h TYR 674 N 1.27 0.00 -3.20 0.38 0.05 -1.96 -3.43 116.97 110.08 1s48 h TYR 674 Ca -0.47 0.00 -0.50 0.00 0.05 0.00 0.00 58.73 57.81 1s48 h TYR 674 Cb 1.18 0.00 -0.37 0.00 1.01 0.00 0.00 36.73 38.55 1s48 h TYR 674 CO 0.62 0.00 -0.79 -1.21 -1.05 0.00 0.00 178.16 175.73 1s48 s GLU 675 N -1.26 1.23 -0.45 4.88 2.02 -1.26 -5.08 118.70 118.78 1s48 s GLU 675 Ca -0.02 -0.14 -0.28 0.00 0.02 0.00 0.00 54.97 54.55 1s48 s GLU 675 Cb 0.00 -1.40 -0.08 0.00 0.10 0.00 0.00 34.13 32.75 1s48 s GLU 675 CO 0.03 -0.28 2.37 0.94 0.02 0.00 0.00 175.26 178.33 1s48 n GLN 676 N 5.01 1.19 -2.17 1.61 7.27 -1.26 -4.91 117.38 124.12 1s48 n GLN 676 Ca -0.11 0.17 -0.41 0.00 0.07 0.00 0.00 57.00 56.72 1s48 n GLN 676 Cb 0.50 -3.11 -0.03 0.00 2.41 0.00 0.00 30.24 30.02 1s48 n GLN 676 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1s48 s LEU 677 N 10.35 4.41 -0.79 1.69 1.43 -1.26 -4.83 118.68 129.68 1s48 s LEU 677 Ca 1.04 2.45 -0.18 0.00 -1.03 0.00 0.00 54.13 56.41 1s48 s LEU 677 Cb -0.40 -3.61 0.15 0.00 0.03 0.00 0.00 46.19 42.36 1s48 s LEU 677 CO 0.33 -0.57 0.89 0.00 0.23 0.00 0.00 176.35 177.24 1s48 s GLN 678 N -0.07 3.42 0.00 1.70 -2.07 -0.77 -5.01 119.66 116.86 1s48 s GLN 678 Ca 0.58 -1.80 0.10 0.00 -1.82 0.00 0.00 55.36 52.42 1s48 s GLN 678 Cb -0.38 -4.56 0.63 0.00 -1.09 0.00 0.00 33.01 27.61 1s48 s GLN 678 CO 0.39 -1.57 1.07 1.28 -1.32 0.00 0.00 175.29 175.13