#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4f s ILE 93 N 0.00 2.15 0.60 1.34 -4.36 -1.26 -5.07 121.20 114.60 1s4f s ILE 93 Ca 0.00 -0.37 -0.10 0.00 -0.26 0.00 0.00 60.65 59.92 1s4f s ILE 93 Cb 0.00 -2.78 -0.03 0.00 1.25 0.00 0.00 42.46 40.90 1s4f s ILE 93 CO 0.00 0.00 0.98 -0.13 0.24 0.00 0.00 174.94 176.03 1s4f s ARG 94 N -5.35 3.51 0.03 0.37 0.52 -1.26 -5.01 118.95 111.77 1s4f s ARG 94 Ca 0.67 0.60 -0.18 0.00 -0.52 0.00 0.00 55.73 56.30 1s4f s ARG 94 Cb -0.06 -2.14 -0.09 0.00 0.52 0.00 0.00 34.95 33.18 1s4f s ARG 94 CO 0.46 -0.54 1.27 0.93 0.02 0.00 0.00 175.30 177.45 1s4f h GLU 95 N -0.24 -0.56 0.00 3.54 4.39 -2.01 -2.65 114.58 117.05 1s4f h GLU 95 Ca -0.45 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1s4f h GLU 95 Cb 1.20 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 1s4f h GLU 95 CO 0.62 -0.37 0.30 -2.39 -1.16 0.00 0.00 179.01 176.01 1s4f n HIS 96 N -3.79 0.04 -0.09 4.33 1.44 -1.26 0.40 115.22 116.29 1s4f n HIS 96 Ca -0.07 0.02 0.08 0.00 -2.01 0.00 0.00 57.72 55.74 1s4f n HIS 96 Cb 0.24 -0.25 0.20 0.00 0.12 0.00 0.00 29.99 30.31 1s4f n HIS 96 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1s4f n ASN 97 N -1.30 3.23 -0.25 4.39 3.02 -1.00 -4.46 115.26 118.88 1s4f n ASN 97 Ca -0.00 -1.95 0.13 0.00 -0.03 0.00 0.00 54.58 52.74 1s4f n ASN 97 Cb 0.30 -0.29 0.44 0.00 -0.61 0.00 0.00 39.78 39.63 1s4f n ASN 97 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1s4f n LYS 98 N 1.03 0.93 0.04 3.52 5.02 0.16 -3.84 118.16 125.02 1s4f n LYS 98 Ca 0.16 -0.51 -0.02 0.00 -2.02 0.00 0.00 58.31 55.92 1s4f n LYS 98 Cb 0.50 -1.49 0.23 0.00 -0.02 0.00 0.00 35.03 34.25 1s4f n LYS 98 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 1s4f h TRP 99 N 1.25 0.45 -0.64 2.13 5.08 -1.78 -2.72 115.95 119.72 1s4f h TRP 99 Ca 0.00 -0.09 -0.00 0.00 1.08 0.00 0.00 58.89 59.87 1s4f h TRP 99 Cb 0.48 -0.11 -0.03 0.00 -3.00 0.00 0.00 29.16 26.49 1s4f h TRP 99 CO 0.00 0.63 0.38 0.97 -1.28 0.00 0.00 178.44 179.15 1s4f h ILE 100 N 0.36 1.19 -1.14 0.12 6.09 -1.91 -2.88 117.51 119.33 1s4f h ILE 100 Ca 0.05 -0.43 0.32 0.00 -1.37 0.00 0.00 64.86 63.44 1s4f h ILE 100 Cb 0.65 0.31 -0.08 0.00 0.47 0.00 0.00 36.82 38.17 1s4f h ILE 100 CO 0.05 0.20 0.77 -0.07 -3.07 0.00 0.00 178.15 176.02 1s4f h LEU 101 N 0.87 0.26 0.00 2.19 3.38 -1.69 0.56 115.31 120.88 1s4f h LEU 101 Ca 0.23 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1s4f h LEU 101 Cb -0.02 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1s4f h LEU 101 CO -0.04 0.02 0.00 0.29 0.09 0.00 0.00 178.44 178.80 1s4f n LYS 102 N -4.47 0.79 -0.00 1.13 5.02 -1.09 -2.64 118.16 116.89 1s4f n LYS 102 Ca 0.27 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.61 1s4f n LYS 102 Cb 1.10 -1.33 -0.06 0.00 -0.02 0.00 0.00 35.03 34.71 1s4f n LYS 102 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1s4f n LYS 103 N -0.83 2.79 -2.05 1.97 5.02 0.20 -4.99 118.16 120.27 1s4f n LYS 103 Ca 0.12 -0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.97 1s4f n LYS 103 Cb 0.06 -1.04 -0.03 0.00 -0.02 0.00 0.00 35.03 34.00 1s4f n LYS 103 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1s4f s ILE 104 N -2.15 3.29 -0.09 -0.18 1.01 -1.08 -4.57 121.20 117.43 1s4f s ILE 104 Ca 0.02 0.73 0.12 0.00 0.00 0.00 0.00 60.65 61.51 1s4f s ILE 104 Cb 0.07 -3.47 -0.17 0.00 0.01 0.00 0.00 42.46 38.90 1s4f s ILE 104 CO 0.41 0.00 0.11 -1.14 0.00 0.00 0.00 174.94 174.32 1s4f n ARG 105 N 5.40 1.55 -4.25 2.79 3.00 0.10 -4.93 116.66 120.32 1s4f n ARG 105 Ca 0.15 -0.04 -0.14 0.00 -0.00 0.00 0.00 57.85 57.82 1s4f n ARG 105 Cb 0.42 -1.32 -0.10 0.00 0.00 0.00 0.00 32.46 31.46 1s4f n ARG 105 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1s4f s PHE 106 N -2.47 1.25 0.41 -0.14 0.40 0.36 -4.95 117.98 112.85 1s4f s PHE 106 Ca -0.06 -0.96 -0.26 0.00 -0.60 0.00 0.00 56.93 55.05 1s4f s PHE 106 Cb 0.05 -0.71 -0.09 0.00 0.51 0.00 0.00 43.02 42.78 1s4f s PHE 106 CO 0.52 -0.14 1.34 -1.14 0.70 0.00 0.00 175.22 176.50 1s4f s GLN 107 N -3.88 3.91 0.82 0.44 0.74 -1.26 0.14 119.66 120.57 1s4f s GLN 107 Ca 0.23 2.24 -0.10 0.00 0.05 0.00 0.00 55.36 57.78 1s4f s GLN 107 Cb 0.05 -2.74 0.08 0.00 1.10 0.00 0.00 33.01 31.50 1s4f s GLN 107 CO 0.04 -0.57 1.10 0.20 -0.55 0.00 0.00 175.29 175.51 1s4f s GLY 108 N -0.65 1.68 -0.33 2.59 0.00 -1.26 -4.10 107.32 105.25 1s4f s GLY 108 Ca 0.58 0.33 0.17 0.00 0.00 0.00 0.00 44.72 45.80 1s4f s GLY 108 CO 0.51 0.71 1.03 -2.01 0.00 0.00 0.00 173.10 173.34 1s4f n ASN 109 N -3.73 0.96 -0.01 1.64 2.85 -1.26 -4.83 115.26 110.87 1s4f n ASN 109 Ca 0.10 -2.60 0.09 0.00 -0.11 0.00 0.00 54.58 52.05 1s4f n ASN 109 Cb 0.53 -0.30 -0.13 0.00 1.24 0.00 0.00 39.78 41.12 1s4f n ASN 109 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1s4f n LEU 110 N -0.21 0.22 -3.79 1.20 4.77 -1.26 -5.00 117.00 112.94 1s4f n LEU 110 Ca 0.07 -0.13 -0.25 0.00 -0.03 0.00 0.00 56.01 55.67 1s4f n LEU 110 Cb 0.82 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.94 1s4f n LEU 110 CO 0.20 0.06 -0.01 0.59 -1.33 0.00 0.00 177.39 176.89 1s4f n ASN 111 N -1.95 -2.46 -4.61 -1.43 3.02 -1.26 -4.91 115.26 101.66 1s4f n ASN 111 Ca -0.02 -0.81 -0.42 0.00 -0.03 0.00 0.00 54.58 53.30 1s4f n ASN 111 Cb 0.43 -3.96 -0.05 0.00 -0.61 0.00 0.00 39.78 35.59 1s4f n ASN 111 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1s4f s THR 112 N -3.55 4.77 -0.31 3.41 -4.23 -1.26 -4.96 115.64 109.51 1s4f s THR 112 Ca 0.24 1.21 0.27 0.00 -1.18 0.00 0.00 61.69 62.23 1s4f s THR 112 Cb -0.12 -4.17 0.34 0.00 1.34 0.00 0.00 72.50 69.89 1s4f s THR 112 CO 0.82 -0.28 1.77 0.11 -0.54 0.00 0.00 174.62 176.50 1s4f h LYS 113 N 8.13 0.00 -0.03 3.99 1.57 -2.03 -3.36 116.57 124.84 1s4f h LYS 113 Ca -0.24 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.36 1s4f h LYS 113 Cb 1.09 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.05 1s4f h LYS 113 CO 0.90 0.00 -0.95 1.63 -0.57 0.00 0.00 179.45 180.46 1s4f n LYS 114 N -2.88 0.13 -3.68 3.15 5.02 -1.26 -5.05 118.16 113.58 1s4f n LYS 114 Ca 0.03 -1.97 -0.10 0.00 -2.02 0.00 0.00 58.31 54.25 1s4f n LYS 114 Cb 0.41 -0.04 -0.10 0.00 -0.02 0.00 0.00 35.03 35.28 1s4f n LYS 114 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1s4f s MET 115 N -0.25 0.48 0.02 1.97 1.75 -1.26 -5.13 119.30 116.88 1s4f s MET 115 Ca 0.29 0.87 -0.30 0.00 -1.25 0.00 0.00 55.69 55.31 1s4f s MET 115 Cb 0.34 0.04 -0.08 0.00 2.84 0.00 0.00 34.83 37.98 1s4f s MET 115 CO -0.14 -0.15 1.78 -1.17 -0.65 0.00 0.00 175.02 174.69 1s4f s LEU 116 N 1.33 4.38 -0.84 4.11 2.96 -1.26 -4.69 118.68 124.66 1s4f s LEU 116 Ca -0.09 2.48 0.01 0.00 -0.22 0.00 0.00 54.13 56.31 1s4f s LEU 116 Cb -0.07 -3.54 0.22 0.00 0.50 0.00 0.00 46.19 43.30 1s4f s LEU 116 CO -0.13 -0.97 0.77 -3.20 -1.32 0.00 0.00 176.35 171.51 1s4f n ASN 117 N 6.87 4.08 -0.08 3.68 5.15 -1.26 -4.95 115.26 128.75 1s4f n ASN 117 Ca 0.18 -3.21 0.25 0.00 -0.60 0.00 0.00 54.58 51.20 1s4f n ASN 117 Cb 0.41 -0.96 0.62 0.00 -0.53 0.00 0.00 39.78 39.32 1s4f n ASN 117 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1s4f h PRO 118 N 5.59 0.00 0.00 1.20 0.11 -1.98 -3.38 132.00 133.54 1s4f h PRO 118 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1s4f h PRO 118 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1s4f h PRO 118 CO 0.86 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.06 1s4f n GLY 119 N -1.61 0.54 3.18 -0.55 0.00 -1.26 -4.58 105.19 100.92 1s4f n GLY 119 Ca 0.16 -1.75 -0.18 0.00 0.00 0.00 0.00 46.02 44.25 1s4f n GLY 119 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s4f s LYS 120 N -2.00 0.85 0.88 1.61 2.20 0.38 -4.38 119.74 119.28 1s4f s LYS 120 Ca 0.00 -0.99 -0.10 0.00 -0.36 0.00 0.00 55.97 54.52 1s4f s LYS 120 Cb 0.00 -0.84 0.19 0.00 -1.51 0.00 0.00 37.83 35.67 1s4f s LYS 120 CO 0.00 0.18 1.21 -0.51 -0.36 0.00 0.00 175.35 175.87 1s4f s LEU 121 N -1.84 2.83 -0.00 5.43 1.43 -1.26 0.00 118.68 125.27 1s4f s LEU 121 Ca -0.01 -0.08 0.21 0.00 -1.03 0.00 0.00 54.13 53.22 1s4f s LEU 121 Cb -0.09 -2.00 -0.23 0.00 0.03 0.00 0.00 46.19 43.89 1s4f s LEU 121 CO 0.02 -2.49 0.86 -1.54 0.23 0.00 0.00 176.35 173.44 1s4f n SER 122 N -3.44 0.94 -5.01 2.29 3.41 -1.26 -4.71 113.62 105.83 1s4f n SER 122 Ca 0.16 -0.94 -0.19 0.00 -0.26 0.00 0.00 58.87 57.65 1s4f n SER 122 Cb 0.60 1.05 0.04 0.00 -0.26 0.00 0.00 64.21 65.64 1s4f n SER 122 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1s4f s GLU 123 N -2.99 2.53 0.09 4.33 2.02 -1.26 -2.28 118.70 121.14 1s4f s GLU 123 Ca 0.07 -1.41 -0.26 0.00 0.02 0.00 0.00 54.97 53.40 1s4f s GLU 123 Cb 0.16 -2.68 0.08 0.00 0.10 0.00 0.00 34.13 31.79 1s4f s GLU 123 CO 0.86 -0.61 0.70 -1.14 0.02 0.00 0.00 175.26 175.09 1s4f s GLN 124 N -4.54 1.11 -0.47 1.61 0.74 0.39 -4.77 119.66 113.72 1s4f s GLN 124 Ca 0.59 -0.34 -0.21 0.00 0.05 0.00 0.00 55.36 55.44 1s4f s GLN 124 Cb -0.08 0.51 0.03 0.00 1.10 0.00 0.00 33.01 34.58 1s4f s GLN 124 CO 0.36 -0.47 0.69 -0.51 -0.55 0.00 0.00 175.29 174.81 1s4f s LEU 125 N -2.50 4.54 0.66 3.68 1.02 -1.26 -1.40 118.68 123.42 1s4f s LEU 125 Ca 0.01 -0.47 -0.17 0.00 0.02 0.00 0.00 54.13 53.52 1s4f s LEU 125 Cb -0.01 -2.69 -0.03 0.00 0.02 0.00 0.00 46.19 43.48 1s4f s LEU 125 CO -0.10 -0.88 0.84 -0.67 0.02 0.00 0.00 176.35 175.56 1s4f n ASP 126 N 6.44 0.11 0.00 2.29 -0.08 0.43 -4.79 116.55 120.95 1s4f n ASP 126 Ca -0.02 0.72 0.00 0.00 -1.51 0.00 0.00 54.79 53.98 1s4f n ASP 126 Cb 0.47 -1.34 0.00 0.00 2.34 0.00 0.00 41.12 42.59 1s4f n ASP 126 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1s4f n ARG 127 N -1.12 0.00 -2.48 -0.67 1.85 -1.26 -1.98 116.66 111.00 1s4f n ARG 127 Ca 0.13 0.23 -0.12 0.00 -1.00 0.00 0.00 57.85 57.09 1s4f n ARG 127 Cb 0.49 -1.62 0.03 0.00 -1.05 0.00 0.00 32.46 30.31 1s4f n ARG 127 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1s4f n GLU 128 N -1.18 2.53 0.00 2.89 4.07 -1.26 -4.98 120.64 122.71 1s4f n GLU 128 Ca 0.00 -3.81 0.00 0.00 -0.06 0.00 0.00 57.16 53.29 1s4f n GLU 128 Cb 0.12 -1.89 0.00 0.00 -0.06 0.00 0.00 31.44 29.62 1s4f n GLU 128 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1s4f n GLY 129 N -0.60 2.71 3.70 8.31 0.00 -0.84 -5.02 105.19 113.46 1s4f n GLY 129 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 1s4f n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s4f s ARG 130 N -0.04 1.71 -0.31 1.61 1.81 -1.26 -4.68 118.95 117.80 1s4f s ARG 130 Ca 0.00 1.73 0.01 0.00 -1.72 0.00 0.00 55.73 55.75 1s4f s ARG 130 Cb 0.00 -1.79 0.07 0.00 -0.45 0.00 0.00 34.95 32.79 1s4f s ARG 130 CO 0.00 -2.16 0.00 0.21 -0.68 0.00 0.00 175.30 172.68 1s4f s LYS 131 N -4.14 2.08 0.37 3.54 2.20 -1.26 0.16 119.74 122.69 1s4f s LYS 131 Ca 0.73 -1.52 0.02 0.00 -0.36 0.00 0.00 55.97 54.84 1s4f s LYS 131 Cb -0.28 -3.14 0.02 0.00 -1.51 0.00 0.00 37.83 32.91 1s4f s LYS 131 CO 0.50 -0.74 0.13 2.89 -0.36 0.00 0.00 175.35 177.77 1s4f n ARG 132 N 4.46 1.03 -3.16 4.03 1.85 -0.49 -4.88 116.66 119.51 1s4f n ARG 132 Ca -0.08 -2.55 -0.28 0.00 -1.00 0.00 0.00 57.85 53.94 1s4f n ARG 132 Cb 0.42 0.51 -0.03 0.00 -1.05 0.00 0.00 32.46 32.32 1s4f n ARG 132 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1s4f s ASN 133 N -3.12 6.43 -0.08 2.89 -0.87 -1.26 -0.46 114.94 118.46 1s4f s ASN 133 Ca 0.10 0.80 -0.13 0.00 -1.57 0.00 0.00 52.86 52.06 1s4f s ASN 133 Cb -0.01 -2.18 -0.28 0.00 -0.02 0.00 0.00 41.25 38.75 1s4f s ASN 133 CO 0.06 -0.29 0.58 0.40 -2.57 0.00 0.00 177.10 175.28 1s4f h ILE 134 N 1.12 0.96 -3.84 0.60 2.04 -1.76 -3.45 117.51 113.18 1s4f h ILE 134 Ca -0.48 -2.44 0.00 0.00 1.00 0.00 0.00 64.86 62.95 1s4f h ILE 134 Cb 1.19 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.99 1s4f h ILE 134 CO 0.65 0.78 0.00 -1.22 0.00 0.00 0.00 178.15 178.35 1s4f n TYR 135 N -3.77 -0.75 -3.09 1.37 4.02 -1.26 -4.86 117.16 108.83 1s4f n TYR 135 Ca -0.25 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.20 1s4f n TYR 135 Cb 0.98 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 40.24 1s4f n TYR 135 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1s4f s ASN 136 N -0.77 6.29 0.16 7.72 0.01 -0.42 -4.97 114.94 122.95 1s4f s ASN 136 Ca 0.00 -0.54 -0.28 0.00 -0.71 0.00 0.00 52.86 51.34 1s4f s ASN 136 Cb 0.00 -2.33 -0.01 0.00 0.41 0.00 0.00 41.25 39.33 1s4f s ASN 136 CO 0.00 -0.88 1.57 -0.74 -1.51 0.00 0.00 177.10 175.53 1s4f h HIS 137 N 8.98 -1.37 0.49 2.20 -0.00 -1.97 0.17 115.15 123.65 1s4f h HIS 137 Ca -0.26 0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.17 1s4f h HIS 137 Cb 1.09 0.67 -0.02 0.00 -0.00 0.00 0.00 27.41 29.15 1s4f h HIS 137 CO 0.76 -0.44 -0.48 1.96 -0.00 0.00 0.00 177.93 179.73 1s4f h GLN 138 N -0.29 -0.92 -0.36 5.26 1.08 -1.97 0.65 115.11 118.54 1s4f h GLN 138 Ca 0.14 0.06 0.07 0.00 -1.45 0.00 0.00 58.65 57.47 1s4f h GLN 138 Cb 0.58 0.21 -0.06 0.00 -0.05 0.00 0.00 27.48 28.15 1s4f h GLN 138 CO -0.63 -0.62 -0.04 0.82 -0.95 0.00 0.00 178.83 177.41 1s4f h ILE 139 N -0.96 0.68 -0.79 2.54 2.04 -1.93 -1.89 117.51 117.21 1s4f h ILE 139 Ca -0.06 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1s4f h ILE 139 Cb 0.83 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 1s4f h ILE 139 CO -0.05 0.01 0.46 1.23 0.00 0.00 0.00 178.15 179.80 1s4f h GLY 140 N 0.05 1.15 0.96 5.37 0.00 -0.41 -1.18 103.07 109.02 1s4f h GLY 140 Ca 0.18 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1s4f h GLY 140 CO -0.33 0.48 0.19 -0.84 0.00 0.00 0.00 176.54 176.03 1s4f h THR 141 N 1.08 1.14 -0.40 4.70 2.02 0.84 -0.98 112.91 121.32 1s4f h THR 141 Ca 0.28 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 1s4f h THR 141 Cb -0.02 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1s4f h THR 141 CO -0.05 0.14 0.25 0.40 0.37 0.00 0.00 175.52 176.62 1s4f h ILE 142 N 0.43 1.12 -0.80 3.11 2.04 -1.10 -0.83 117.51 121.48 1s4f h ILE 142 Ca 0.12 -0.26 0.11 0.00 1.00 0.00 0.00 64.86 65.83 1s4f h ILE 142 Cb 0.06 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 36.66 1s4f h ILE 142 CO -0.02 0.12 0.52 0.24 0.00 0.00 0.00 178.15 179.01 1s4f h MET 143 N 0.53 0.64 0.00 2.37 2.86 -0.82 0.14 114.93 120.65 1s4f h MET 143 Ca 0.14 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.70 1s4f h MET 143 Cb -0.02 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 1s4f h MET 143 CO -0.03 0.43 -0.22 0.77 1.06 0.00 0.00 176.91 178.92 1s4f h SER 144 N 0.66 0.00 -0.58 1.22 0.02 -0.05 -2.94 113.55 111.88 1s4f h SER 144 Ca 0.38 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.37 1s4f h SER 144 Cb 0.57 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.06 1s4f h SER 144 CO -0.15 0.22 0.33 0.28 -1.14 0.00 0.00 176.83 176.37 1s4f h SER 145 N 0.00 0.51 -2.79 3.07 0.02 0.62 -3.42 113.55 111.57 1s4f h SER 145 Ca -0.00 0.02 -0.46 0.00 -0.84 0.00 0.00 61.79 60.50 1s4f h SER 145 Cb 0.80 -0.09 0.11 0.00 0.14 0.00 0.00 62.40 63.36 1s4f h SER 145 CO 0.03 0.35 0.23 0.00 -1.14 0.00 0.00 176.83 176.29 1s4f s ALA 146 N -6.12 3.16 0.00 3.77 0.00 -1.12 -4.90 121.76 116.55 1s4f s ALA 146 Ca -0.13 -1.58 -0.00 0.00 0.00 0.00 0.00 51.96 50.25 1s4f s ALA 146 Cb 0.14 -2.27 -0.01 0.00 0.00 0.00 0.00 23.12 20.98 1s4f s ALA 146 CO 0.75 -1.86 1.05 0.41 0.00 0.00 0.00 175.76 176.10 1s4f n GLY 147 N -3.20 1.49 3.44 0.00 0.00 -1.26 -4.79 105.19 100.87 1s4f n GLY 147 Ca 0.16 -0.07 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 1s4f n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s4f s ILE 148 N 1.19 5.01 -0.83 -0.61 1.01 -1.14 -2.62 121.20 123.22 1s4f s ILE 148 Ca 0.04 -0.59 -0.22 0.00 0.00 0.00 0.00 60.65 59.88 1s4f s ILE 148 Cb 0.02 -4.19 0.08 0.00 0.01 0.00 0.00 42.46 38.38 1s4f s ILE 148 CO 0.00 -0.66 1.15 -0.13 0.00 0.00 0.00 174.94 175.30 1s4f s ARG 149 N 2.27 3.38 0.58 2.79 0.52 -0.53 -4.14 118.95 123.82 1s4f s ARG 149 Ca 0.12 -1.14 0.30 0.00 -0.52 0.00 0.00 55.73 54.49 1s4f s ARG 149 Cb -0.20 -4.68 1.38 0.00 0.52 0.00 0.00 34.95 31.98 1s4f s ARG 149 CO 0.11 -1.91 1.75 -0.07 0.02 0.00 0.00 175.30 175.20 1s4f h LEU 150 N 11.49 0.00 -1.12 2.53 3.38 -1.94 0.25 115.31 129.91 1s4f h LEU 150 Ca -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1s4f h LEU 150 Cb 1.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1s4f h LEU 150 CO 1.21 0.00 0.22 1.05 0.09 0.00 0.00 178.44 181.01 1s4f h GLU 151 N 0.00 0.84 -0.00 1.13 4.11 -1.96 -2.85 114.58 115.84 1s4f h GLU 151 Ca 0.35 -0.13 0.00 0.00 0.07 0.00 0.00 59.36 59.64 1s4f h GLU 151 Cb 1.78 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.88 1s4f h GLU 151 CO -0.00 0.70 -0.02 1.63 0.07 0.00 0.00 179.01 181.39 1s4f n LYS 152 N -4.32 0.77 -1.83 1.06 4.76 0.88 -4.87 118.16 114.61 1s4f n LYS 152 Ca 0.05 -0.08 -0.42 0.00 -2.87 0.00 0.00 58.31 54.99 1s4f n LYS 152 Cb 0.17 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.84 1s4f n LYS 152 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1s4f s LEU 153 N -2.29 4.38 -0.14 -0.35 1.43 -1.08 -4.77 118.68 115.87 1s4f s LEU 153 Ca 0.37 2.65 -0.20 0.00 -1.03 0.00 0.00 54.13 55.92 1s4f s LEU 153 Cb 0.21 -3.57 -0.24 0.00 0.03 0.00 0.00 46.19 42.62 1s4f s LEU 153 CO 0.42 -0.93 1.50 -2.65 0.23 0.00 0.00 176.35 174.92 1s4f n PRO 154 N 5.10 0.28 -3.86 1.29 -0.02 -1.26 -4.77 135.00 131.76 1s4f n PRO 154 Ca 0.16 -0.99 -0.12 0.00 -2.02 0.00 0.00 63.50 60.53 1s4f n PRO 154 Cb 0.39 -2.41 -0.12 0.00 -0.02 0.00 0.00 33.50 31.34 1s4f n PRO 154 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1s4f s ILE 155 N 6.05 0.04 0.04 4.25 2.07 -1.26 -2.58 121.20 129.81 1s4f s ILE 155 Ca 0.48 -0.32 -0.21 0.00 -1.41 0.00 0.00 60.65 59.18 1s4f s ILE 155 Cb 0.11 -0.28 0.05 0.00 0.13 0.00 0.00 42.46 42.46 1s4f s ILE 155 CO 0.21 -0.18 0.48 0.68 -1.91 0.00 0.00 174.94 174.23 1s4f s VAL 156 N -0.57 0.04 0.66 4.00 -7.23 -0.51 -4.92 120.40 111.87 1s4f s VAL 156 Ca -0.07 -0.31 -0.13 0.00 -1.81 0.00 0.00 61.98 59.66 1s4f s VAL 156 Cb -0.04 -0.95 -0.00 0.00 0.56 0.00 0.00 36.38 35.95 1s4f s VAL 156 CO 0.01 -0.17 1.07 -0.13 -0.31 0.00 0.00 175.10 175.56 1s4f s ARG 157 N -2.33 2.95 -0.02 4.82 0.52 -1.26 0.12 118.95 123.74 1s4f s ARG 157 Ca -0.06 1.15 -0.17 0.00 -0.52 0.00 0.00 55.73 56.13 1s4f s ARG 157 Cb -0.01 -1.99 -0.05 0.00 0.52 0.00 0.00 34.95 33.42 1s4f s ARG 157 CO -0.01 -1.10 0.46 0.00 0.02 0.00 0.00 175.30 174.67 1s4f s ALA 158 N -2.70 3.60 -0.16 2.13 0.00 -0.80 -2.86 121.76 120.99 1s4f s ALA 158 Ca 0.62 -0.16 -0.29 0.00 0.00 0.00 0.00 51.96 52.13 1s4f s ALA 158 Cb -0.16 -2.52 -0.05 0.00 0.00 0.00 0.00 23.12 20.39 1s4f s ALA 158 CO 0.46 0.31 2.02 -0.65 0.00 0.00 0.00 175.76 177.90 1s4f s GLN 159 N -0.53 3.53 0.00 0.00 -0.21 0.28 -4.81 119.66 117.92 1s4f s GLN 159 Ca 0.25 2.09 0.17 0.00 0.02 0.00 0.00 55.36 57.89 1s4f s GLN 159 Cb -0.17 -4.25 0.37 0.00 1.00 0.00 0.00 33.01 29.97 1s4f s GLN 159 CO 0.13 -1.64 1.29 -2.37 -2.12 0.00 0.00 175.29 170.59 1s4f n THR 160 N 6.89 0.67 -2.54 -0.19 5.66 -1.26 -3.84 114.28 119.67 1s4f n THR 160 Ca 0.25 -0.83 -0.41 0.00 -3.05 0.00 0.00 64.05 60.00 1s4f n THR 160 Cb 0.44 0.79 -0.04 0.00 -1.55 0.00 0.00 70.33 69.97 1s4f n THR 160 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1s4f s ASP 161 N -1.16 7.29 0.30 1.09 1.47 -1.26 -4.84 116.67 119.56 1s4f s ASP 161 Ca 0.32 2.03 -0.01 0.00 1.18 0.00 0.00 52.55 56.07 1s4f s ASP 161 Cb 0.18 -2.60 0.68 0.00 -0.34 0.00 0.00 42.92 40.84 1s4f s ASP 161 CO 0.24 -0.22 1.57 0.74 0.68 0.00 0.00 175.17 178.19 1s4f h THR 162 N 3.85 0.04 -0.56 2.11 2.02 -1.98 -0.13 112.91 118.26 1s4f h THR 162 Ca -0.44 -0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.85 1s4f h THR 162 Cb 1.21 0.02 -0.09 0.00 -1.74 0.00 0.00 68.15 67.56 1s4f h THR 162 CO 0.73 0.00 0.04 0.50 0.37 0.00 0.00 175.52 177.16 1s4f h LYS 163 N 0.01 0.16 0.00 6.66 1.63 -2.00 -0.07 116.57 122.97 1s4f h LYS 163 Ca 0.57 -0.01 -0.23 0.00 -0.85 0.00 0.00 60.65 60.13 1s4f h LYS 163 Cb 1.11 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.67 1s4f h LYS 163 CO -0.92 0.10 -1.13 1.79 -3.45 0.00 0.00 179.45 175.84 1s4f h THR 164 N 0.16 1.56 -0.26 1.00 1.35 -1.46 -2.74 112.91 112.52 1s4f h THR 164 Ca 0.29 -3.29 0.03 0.00 -0.55 0.00 0.00 66.41 62.88 1s4f h THR 164 Cb 0.44 2.78 -0.03 0.00 -1.73 0.00 0.00 68.15 69.61 1s4f h THR 164 CO -0.44 0.89 0.08 0.15 -0.25 0.00 0.00 175.52 175.96 1s4f h PHE 165 N 0.00 0.15 -0.66 4.73 3.57 -0.61 0.86 116.94 124.98 1s4f h PHE 165 Ca -0.06 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 1s4f h PHE 165 Cb 1.82 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 40.50 1s4f h PHE 165 CO 0.00 0.07 0.31 0.45 -2.23 0.00 0.00 178.31 176.91 1s4f h HIS 166 N 0.20 0.95 -0.65 0.41 3.86 -1.07 -1.45 115.15 117.40 1s4f h HIS 166 Ca 0.11 -0.05 0.11 0.00 -1.16 0.00 0.00 60.37 59.38 1s4f h HIS 166 Cb 0.08 -0.29 -0.08 0.00 1.06 0.00 0.00 27.41 28.18 1s4f h HIS 166 CO -0.13 0.71 0.24 0.93 0.86 0.00 0.00 177.93 180.55 1s4f h GLU 167 N 0.91 0.40 0.29 2.45 5.08 -0.99 0.75 114.58 123.47 1s4f h GLU 167 Ca 0.23 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1s4f h GLU 167 Cb 0.12 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1s4f h GLU 167 CO -0.03 0.26 -0.46 0.00 -1.00 0.00 0.00 179.01 177.79 1s4f h ALA 168 N 1.46 -1.04 -0.73 3.43 0.00 0.15 0.71 119.26 123.24 1s4f h ALA 168 Ca 0.34 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.26 1s4f h ALA 168 Cb 0.45 0.76 -0.10 0.00 0.00 0.00 0.00 17.79 18.91 1s4f h ALA 168 CO -0.34 -1.11 0.25 0.82 0.00 0.00 0.00 179.25 178.87 1s4f h ILE 169 N -0.79 0.60 -0.30 0.00 2.04 -0.80 0.08 117.51 118.34 1s4f h ILE 169 Ca -0.03 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 1s4f h ILE 169 Cb 0.73 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1s4f h ILE 169 CO -0.15 0.07 0.10 0.03 0.00 0.00 0.00 178.15 178.20 1s4f h ARG 170 N 0.37 0.46 -0.35 2.37 3.08 -0.13 -0.43 114.38 119.75 1s4f h ARG 170 Ca 0.41 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.33 1s4f h ARG 170 Cb 0.65 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1s4f h ARG 170 CO -0.44 0.50 0.07 -0.44 -1.07 0.00 0.00 179.97 178.59 1s4f h ASP 171 N 0.33 0.54 0.00 7.04 3.45 0.22 -3.31 116.42 124.70 1s4f h ASP 171 Ca 0.10 -0.25 -0.37 0.00 0.43 0.00 0.00 57.03 56.95 1s4f h ASP 171 Cb 0.22 -0.14 -0.06 0.00 -0.56 0.00 0.00 39.33 38.79 1s4f h ASP 171 CO -0.00 0.65 -2.28 0.29 -1.57 0.00 0.00 179.24 176.33 1s4f n LYS 172 N -4.60 0.51 0.02 3.56 5.02 -0.26 -4.79 118.16 117.63 1s4f n LYS 172 Ca -0.01 0.18 -0.19 0.00 -2.02 0.00 0.00 58.31 56.27 1s4f n LYS 172 Cb 0.21 -1.37 -0.11 0.00 -0.02 0.00 0.00 35.03 33.74 1s4f n LYS 172 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1s4f h ILE 173 N -0.52 1.36 -0.67 -0.18 2.04 -1.58 -3.42 117.51 114.54 1s4f h ILE 173 Ca -0.55 -2.17 -0.21 0.00 1.00 0.00 0.00 64.86 62.93 1s4f h ILE 173 Cb 1.61 2.53 -0.03 0.00 -0.74 0.00 0.00 36.82 40.18 1s4f h ILE 173 CO -0.25 0.65 0.53 -0.62 0.00 0.00 0.00 178.15 178.46 1s4f s ASP 174 N -7.01 4.68 0.04 1.72 3.68 -0.22 -4.86 116.67 114.71 1s4f s ASP 174 Ca -0.12 -0.33 -0.26 0.00 2.13 0.00 0.00 52.55 53.98 1s4f s ASP 174 Cb 0.05 -2.55 0.06 0.00 -1.45 0.00 0.00 42.92 39.03 1s4f s ASP 174 CO 0.87 -3.14 0.61 -1.59 0.13 0.00 0.00 175.17 172.05 1s4f s LYS 175 N 7.71 1.12 0.61 4.34 -2.85 -1.26 -4.90 119.74 124.51 1s4f s LYS 175 Ca 0.79 -0.12 -0.14 0.00 -1.00 0.00 0.00 55.97 55.50 1s4f s LYS 175 Cb -0.09 0.52 -0.03 0.00 -2.06 0.00 0.00 37.83 36.16 1s4f s LYS 175 CO 0.04 -0.41 1.04 -1.54 0.10 0.00 0.00 175.35 174.57 1s4f s SER 176 N -1.91 5.94 0.35 0.03 1.04 -1.26 -4.85 113.70 113.04 1s4f s SER 176 Ca -0.06 1.63 -0.29 0.00 0.48 0.00 0.00 55.95 57.72 1s4f s SER 176 Cb -0.01 -2.51 -0.11 0.00 0.10 0.00 0.00 66.02 63.50 1s4f s SER 176 CO -0.01 -1.06 1.43 -1.61 0.98 0.00 0.00 173.24 172.97 1s4f s GLU 177 N -4.55 4.20 0.38 4.02 2.02 -1.26 -4.94 118.70 118.57 1s4f s GLU 177 Ca 0.59 2.43 -0.26 0.00 0.02 0.00 0.00 54.97 57.75 1s4f s GLU 177 Cb -0.13 -3.02 -0.09 0.00 0.10 0.00 0.00 34.13 30.99 1s4f s GLU 177 CO 0.44 -0.42 1.23 -0.80 0.02 0.00 0.00 175.26 175.73 1s4f s ASN 178 N -0.18 6.57 0.31 -0.19 0.01 -1.26 -4.99 114.94 115.21 1s4f s ASN 178 Ca 0.53 2.50 -0.27 0.00 -0.71 0.00 0.00 52.86 54.90 1s4f s ASN 178 Cb -0.44 -2.63 -0.09 0.00 0.41 0.00 0.00 41.25 38.50 1s4f s ASN 178 CO 0.57 -0.65 1.02 -0.60 -1.51 0.00 0.00 177.10 175.93 1s4f s ARG 179 N -2.11 4.54 0.00 -0.60 3.52 -1.26 -4.96 118.95 118.08 1s4f s ARG 179 Ca 0.54 1.57 0.01 0.00 -0.13 0.00 0.00 55.73 57.72 1s4f s ARG 179 Cb -0.35 -2.95 -0.00 0.00 -1.56 0.00 0.00 34.95 30.09 1s4f s ARG 179 CO 0.45 0.19 -0.02 -0.65 -0.81 0.00 0.00 175.30 174.45 1s4f s GLN 180 N -1.81 0.16 0.37 5.12 -0.21 -1.26 -4.29 119.66 117.74 1s4f s GLN 180 Ca 0.49 -0.12 -0.25 0.00 0.02 0.00 0.00 55.36 55.50 1s4f s GLN 180 Cb -0.25 -0.12 -0.13 0.00 1.00 0.00 0.00 33.01 33.51 1s4f s GLN 180 CO 0.32 0.03 0.79 0.27 -2.12 0.00 0.00 175.29 174.58 1s4f n ASN 181 N 2.89 0.23 0.00 5.90 6.94 -0.41 -4.91 115.26 125.90 1s4f n ASN 181 Ca -0.13 1.03 0.00 0.00 -0.02 0.00 0.00 54.58 55.45 1s4f n ASN 181 Cb 0.59 -1.21 0.00 0.00 -2.36 0.00 0.00 39.78 36.80 1s4f n ASN 181 CO 0.00 0.00 0.00 -2.65 -1.03 0.00 0.00 177.26 173.58 1s4f n PRO 182 N 0.52 0.00 0.04 -0.53 -0.02 -1.26 -3.08 135.00 130.68 1s4f n PRO 182 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1s4f n PRO 182 Cb 0.36 -0.31 0.02 0.00 -0.02 0.00 0.00 33.50 33.55 1s4f n PRO 182 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1s4f n GLU 183 N 0.00 0.01 -0.31 -0.52 -0.58 -1.26 -3.90 120.64 114.08 1s4f n GLU 183 Ca 0.00 0.18 -0.07 0.00 -0.42 0.00 0.00 57.16 56.85 1s4f n GLU 183 Cb 0.00 -2.02 -0.06 0.00 -0.57 0.00 0.00 31.44 28.80 1s4f n GLU 183 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1s4f n LEU 184 N -1.26 -0.74 0.26 -4.62 0.00 -1.18 -0.07 117.00 109.39 1s4f n LEU 184 Ca -0.00 1.32 0.09 0.00 0.00 0.00 0.00 56.01 57.42 1s4f n LEU 184 Cb 0.49 -0.19 0.66 0.00 0.00 0.00 0.00 43.42 44.39 1s4f n LEU 184 CO 0.00 -1.09 1.00 0.45 0.00 0.00 0.00 177.39 177.76 1s4f h HIS 185 N 0.00 0.00 0.30 1.96 3.86 -1.84 -0.23 115.15 119.20 1s4f h HIS 185 Ca 0.14 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1s4f h HIS 185 Cb 0.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 1s4f h HIS 185 CO -0.75 0.09 -0.15 -0.91 0.86 0.00 0.00 177.93 177.08 1s4f h ASN 186 N 0.00 -0.34 -0.34 2.45 2.35 -0.78 -1.58 115.58 117.34 1s4f h ASN 186 Ca -0.00 -0.13 0.03 0.00 -0.55 0.00 0.00 56.30 55.64 1s4f h ASN 186 Cb 0.18 0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1s4f h ASN 186 CO 0.01 -0.05 0.22 0.11 -1.65 0.00 0.00 177.43 176.07 1s4f h LYS 187 N -0.65 0.33 -0.37 0.81 1.57 -0.99 0.30 116.57 117.57 1s4f h LYS 187 Ca -0.04 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.56 1s4f h LYS 187 Cb 0.46 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1s4f h LYS 187 CO 0.07 0.22 -0.40 -0.07 -0.57 0.00 0.00 179.45 178.70 1s4f h LEU 188 N 0.34 0.99 -0.37 2.94 3.38 -0.88 0.05 115.31 121.76 1s4f h LEU 188 Ca 0.14 -0.46 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 1s4f h LEU 188 Cb 0.12 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1s4f h LEU 188 CO -0.03 1.26 0.04 0.25 0.09 0.00 0.00 178.44 180.04 1s4f h LEU 189 N 0.75 0.61 -0.08 1.67 6.46 -0.15 0.10 115.31 124.68 1s4f h LEU 189 Ca 0.06 -0.28 0.04 0.00 -0.12 0.00 0.00 57.88 57.58 1s4f h LEU 189 Cb 0.99 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 40.71 1s4f h LEU 189 CO 0.10 0.74 -0.27 -0.08 -0.62 0.00 0.00 178.44 178.31 1s4f h GLU 190 N 0.47 -0.36 -0.44 1.25 4.81 -0.28 0.10 114.58 120.13 1s4f h GLU 190 Ca 0.11 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.39 1s4f h GLU 190 Cb 0.40 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 1s4f h GLU 190 CO 0.01 -0.24 0.29 0.82 -0.73 0.00 0.00 179.01 179.17 1s4f h ILE 191 N -0.37 1.04 -0.50 2.32 2.04 -0.74 -1.97 117.51 119.33 1s4f h ILE 191 Ca 0.08 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1s4f h ILE 191 Cb 0.49 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1s4f h ILE 191 CO -0.29 0.09 0.33 0.15 0.00 0.00 0.00 178.15 178.43 1s4f h PHE 192 N 0.49 0.63 0.00 1.37 3.57 0.17 -1.80 116.94 121.37 1s4f h PHE 192 Ca 0.18 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1s4f h PHE 192 Cb 0.10 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.62 1s4f h PHE 192 CO -0.00 0.40 -0.03 0.45 -2.23 0.00 0.00 178.31 176.90 1s4f h HIS 193 N 0.68 0.00 0.00 0.41 3.86 -0.49 0.37 115.15 119.98 1s4f h HIS 193 Ca 0.18 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1s4f h HIS 193 Cb -0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.39 1s4f h HIS 193 CO -0.04 0.03 0.00 0.25 0.86 0.00 0.00 177.93 179.03 1s4f n THR 194 N -3.36 0.41 -0.92 2.45 -2.24 -0.68 -3.43 114.28 106.50 1s4f n THR 194 Ca -0.02 -0.05 0.05 0.00 -2.27 0.00 0.00 64.05 61.76 1s4f n THR 194 Cb 0.14 -0.65 0.07 0.00 -2.10 0.00 0.00 70.33 67.78 1s4f n THR 194 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1s4f n ILE 195 N -1.83 1.15 -2.95 2.28 -5.35 0.12 -5.05 119.36 107.73 1s4f n ILE 195 Ca 0.06 -1.33 -0.38 0.00 -0.27 0.00 0.00 62.75 60.83 1s4f n ILE 195 Cb 0.34 0.20 -0.06 0.00 -1.74 0.00 0.00 39.64 38.38 1s4f n ILE 195 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1s4f s ALA 196 N -1.61 3.37 -0.91 -1.28 0.00 -0.40 -4.91 121.76 116.01 1s4f s ALA 196 Ca 0.15 0.36 -0.11 0.00 0.00 0.00 0.00 51.96 52.36 1s4f s ALA 196 Cb 0.13 -2.99 0.23 0.00 0.00 0.00 0.00 23.12 20.49 1s4f s ALA 196 CO 0.01 0.27 0.86 -0.65 0.00 0.00 0.00 175.76 176.25 1s4f s GLN 197 N -1.64 3.71 0.50 0.00 -0.21 -1.26 -4.92 119.66 115.84 1s4f s GLN 197 Ca 0.42 -2.76 0.37 0.00 0.02 0.00 0.00 55.36 53.41 1s4f s GLN 197 Cb -0.20 -4.40 1.52 0.00 1.00 0.00 0.00 33.01 30.93 1s4f s GLN 197 CO 0.24 -1.27 1.67 -1.35 -2.12 0.00 0.00 175.29 172.47 1s4f h PRO 198 N 7.28 0.07 0.00 2.91 0.11 -1.97 0.37 132.00 140.77 1s4f h PRO 198 Ca 0.13 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1s4f h PRO 198 Cb 0.97 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1s4f h PRO 198 CO 0.84 0.04 0.10 1.15 -0.21 0.00 0.00 178.00 179.93 1s4f h THR 199 N 0.07 0.00 -0.00 -1.15 2.02 -2.03 -1.92 112.91 109.89 1s4f h THR 199 Ca 0.76 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.94 1s4f h THR 199 Cb 2.74 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 69.94 1s4f h THR 199 CO -0.17 0.00 -0.03 0.18 0.37 0.00 0.00 175.52 175.87 1s4f n LEU 200 N -2.83 0.60 -4.58 2.58 4.77 0.13 -4.98 117.00 112.68 1s4f n LEU 200 Ca -0.02 -0.75 -0.48 0.00 -0.03 0.00 0.00 56.01 54.72 1s4f n LEU 200 Cb 0.16 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1s4f n LEU 200 CO 0.16 0.14 0.71 1.17 -1.33 0.00 0.00 177.39 178.23 1s4f n LYS 201 N -0.47 1.19 -4.21 3.23 4.81 -0.73 -1.57 118.16 120.42 1s4f n LYS 201 Ca 0.01 0.42 -0.34 0.00 -0.87 0.00 0.00 58.31 57.53 1s4f n LYS 201 Cb 0.03 -1.91 -0.04 0.00 0.02 0.00 0.00 35.03 33.13 1s4f n LYS 201 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1s4f n HIS 202 N 1.38 -1.59 -0.02 5.64 8.25 -0.65 -4.84 115.22 123.39 1s4f n HIS 202 Ca 0.14 0.75 -0.02 0.00 -0.26 0.00 0.00 57.72 58.34 1s4f n HIS 202 Cb 0.25 -2.98 -0.04 0.00 1.12 0.00 0.00 29.99 28.34 1s4f n HIS 202 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1s4f n THR 203 N -4.37 0.28 -2.19 1.59 -2.24 -0.61 -4.23 114.28 102.52 1s4f n THR 203 Ca -0.06 -0.20 -0.39 0.00 -2.27 0.00 0.00 64.05 61.13 1s4f n THR 203 Cb 0.56 -0.62 -0.02 0.00 -2.10 0.00 0.00 70.33 68.15 1s4f n THR 203 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1s4f s TYR 204 N -2.18 3.04 0.00 4.78 2.02 -0.11 -4.65 117.35 120.25 1s4f s TYR 204 Ca -0.02 1.49 0.00 0.00 -0.37 0.00 0.00 57.07 58.16 1s4f s TYR 204 Cb 0.02 -3.55 0.00 0.00 -0.40 0.00 0.00 41.96 38.03 1s4f s TYR 204 CO 0.21 -1.63 0.00 0.41 -1.57 0.00 0.00 175.55 172.98 1s4f n GLY 205 N 0.75 3.13 3.58 0.71 0.00 -1.26 0.26 105.19 112.36 1s4f n GLY 205 Ca 0.02 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 1s4f n GLY 205 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s4f s GLU 206 N -1.78 -0.06 0.13 1.61 2.12 -1.26 -4.74 118.70 114.72 1s4f s GLU 206 Ca 0.00 0.92 0.01 0.00 0.36 0.00 0.00 54.97 56.26 1s4f s GLU 206 Cb 0.00 -1.65 -0.04 0.00 0.26 0.00 0.00 34.13 32.70 1s4f s GLU 206 CO 0.00 -3.17 -0.03 0.14 -0.54 0.00 0.00 175.26 171.66 1s4f s VAL 207 N -2.64 0.62 0.66 3.70 -7.23 -0.67 -4.99 120.40 109.86 1s4f s VAL 207 Ca 0.67 -1.95 -0.16 0.00 -1.81 0.00 0.00 61.98 58.73 1s4f s VAL 207 Cb -0.23 -1.88 0.00 0.00 0.56 0.00 0.00 36.38 34.83 1s4f s VAL 207 CO 0.61 -0.69 1.17 0.42 -0.31 0.00 0.00 175.10 176.30 1s4f s THR 208 N -3.68 2.76 0.38 5.32 -4.23 -1.26 -4.83 115.64 110.10 1s4f s THR 208 Ca 0.17 0.40 0.11 0.00 -1.18 0.00 0.00 61.69 61.19 1s4f s THR 208 Cb 0.06 -2.99 0.33 0.00 1.34 0.00 0.00 72.50 71.23 1s4f s THR 208 CO -0.01 -0.18 1.91 -0.50 -0.54 0.00 0.00 174.62 175.30 1s4f h TRP 209 N 0.21 0.69 -0.30 3.99 4.06 -2.00 -2.25 115.95 120.36 1s4f h TRP 209 Ca -0.48 0.02 0.01 0.00 2.06 0.00 0.00 58.89 60.49 1s4f h TRP 209 Cb 1.28 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 29.20 1s4f h TRP 209 CO 0.50 0.28 0.19 0.93 -3.56 0.00 0.00 178.44 176.78 1s4f h GLU 210 N 0.61 0.37 0.00 0.49 3.07 -1.96 -0.88 114.58 116.28 1s4f h GLU 210 Ca 0.39 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 59.14 1s4f h GLU 210 Cb 0.65 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.47 1s4f h GLU 210 CO -0.15 0.25 -0.39 0.37 -1.40 0.00 0.00 179.01 177.68 1s4f h GLN 211 N 0.38 0.00 0.01 2.33 4.15 -1.79 -3.17 115.11 117.03 1s4f h GLN 211 Ca 0.11 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.53 1s4f h GLN 211 Cb -0.03 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.66 1s4f h GLN 211 CO -0.04 0.39 -0.01 1.25 -1.93 0.00 0.00 178.83 178.50 1s4f h LEU 212 N 0.00 -0.02 -1.91 -2.39 5.85 -1.05 -3.05 115.31 112.74 1s4f h LEU 212 Ca -0.00 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1s4f h LEU 212 Cb 0.97 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1s4f h LEU 212 CO 0.05 0.40 0.00 -0.62 -0.34 0.00 0.00 178.44 177.93 1s4f n GLU 213 N -4.90 0.60 -2.54 1.25 1.02 -0.37 -4.56 120.64 111.14 1s4f n GLU 213 Ca -0.08 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.65 1s4f n GLU 213 Cb 0.22 -1.21 -0.02 0.00 -0.02 0.00 0.00 31.44 30.41 1s4f n GLU 213 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s4f s ALA 214 N 0.28 2.93 -1.26 0.62 0.00 -1.15 -3.94 121.76 119.23 1s4f s ALA 214 Ca 0.00 -2.53 -0.02 0.00 0.00 0.00 0.00 51.96 49.41 1s4f s ALA 214 Cb 0.00 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.53 1s4f s ALA 214 CO 0.00 -3.56 0.20 0.41 0.00 0.00 0.00 175.76 172.81 1s4f n GLY 215 N 6.18 -0.25 3.42 0.00 0.00 -1.26 -4.97 105.19 108.30 1s4f n GLY 215 Ca 0.41 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 1s4f n GLY 215 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1s4f n VAL 216 N -4.10 0.00 -3.32 1.61 0.24 -1.25 -4.92 118.33 106.59 1s4f n VAL 216 Ca -0.14 -0.45 -0.47 0.00 -2.04 0.00 0.00 64.34 61.24 1s4f n VAL 216 Cb 0.62 -0.97 -0.02 0.00 -1.47 0.00 0.00 33.84 32.00 1s4f n VAL 216 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1s4f s ASN 217 N -2.40 6.77 0.50 -1.34 3.84 -1.26 -4.89 114.94 116.15 1s4f s ASN 217 Ca 0.68 -2.68 0.20 0.00 0.21 0.00 0.00 52.86 51.27 1s4f s ASN 217 Cb -0.24 -2.22 1.26 0.00 -0.55 0.00 0.00 41.25 39.50 1s4f s ASN 217 CO 0.65 -0.59 2.01 0.03 -2.79 0.00 0.00 177.10 176.42 1s4f h ARG 218 N 7.80 0.13 -0.31 0.43 3.08 -1.92 0.18 114.38 123.78 1s4f h ARG 218 Ca 0.11 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1s4f h ARG 218 Cb 1.04 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.06 1s4f h ARG 218 CO 0.76 0.09 0.00 1.63 -1.07 0.00 0.00 179.97 181.38 1s4f n LYS 219 N -4.43 0.95 -1.67 0.04 5.02 -1.26 -3.62 118.16 113.19 1s4f n LYS 219 Ca 0.08 0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 55.92 1s4f n LYS 219 Cb 0.45 -1.15 -0.03 0.00 -0.02 0.00 0.00 35.03 34.28 1s4f n LYS 219 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s4f n GLY 220 N 0.31 0.93 2.98 0.72 0.00 0.63 -4.89 105.19 105.86 1s4f n GLY 220 Ca 0.00 0.55 -0.38 0.00 0.00 0.00 0.00 46.02 46.20 1s4f n GLY 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s4f n ALA 221 N 2.49 -5.59 0.04 4.61 0.00 -1.26 -2.97 120.51 117.84 1s4f n ALA 221 Ca 0.13 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.22 1s4f n ALA 221 Cb 0.31 -0.77 -0.01 0.00 0.00 0.00 0.00 19.45 18.98 1s4f n ALA 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s4f n ALA 222 N -3.47 2.13 0.00 0.00 0.00 -1.26 -4.09 120.51 113.82 1s4f n ALA 222 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1s4f n ALA 222 Cb 0.74 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.15 1s4f n ALA 222 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4f n GLY 223 N 1.18 1.14 0.00 0.00 0.00 -1.26 -3.87 105.19 102.37 1s4f n GLY 223 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1s4f n GLY 223 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1s4f n PHE 224 N 0.00 0.00 1.18 1.61 7.35 -1.26 -4.66 117.46 121.68 1s4f n PHE 224 Ca 0.00 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.79 1s4f n PHE 224 Cb 0.00 0.00 0.35 0.00 0.35 0.00 0.00 39.48 40.18 1s4f n PHE 224 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1s4f n LEU 225 N 0.00 1.71 -4.50 -2.13 4.77 -1.26 -4.84 117.00 110.74 1s4f n LEU 225 Ca 0.00 -0.73 -0.33 0.00 -0.03 0.00 0.00 56.01 54.92 1s4f n LEU 225 Cb 0.00 -0.12 -0.12 0.00 -2.33 0.00 0.00 43.42 40.85 1s4f n LEU 225 CO 0.00 0.36 -0.41 -0.70 -1.33 0.00 0.00 177.39 175.31 1s4f s GLU 226 N -1.76 2.84 -0.09 3.23 2.12 -1.26 -5.06 118.70 118.72 1s4f s GLU 226 Ca 0.31 -0.62 -0.01 0.00 0.36 0.00 0.00 54.97 55.01 1s4f s GLU 226 Cb 0.17 -2.55 -0.00 0.00 0.26 0.00 0.00 34.13 32.00 1s4f s GLU 226 CO 0.25 0.54 -0.03 -0.22 -0.54 0.00 0.00 175.26 175.27 1s4f h LYS 227 N 5.64 0.00 -7.14 4.30 3.64 -1.88 -3.41 116.57 117.72 1s4f h LYS 227 Ca -0.43 0.00 -0.48 0.00 -1.27 0.00 0.00 60.65 58.47 1s4f h LYS 227 Cb 1.17 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 33.03 1s4f h LYS 227 CO 0.53 0.00 0.38 0.15 -2.27 0.00 0.00 179.45 178.24 1s4f s LYS 228 N -1.55 3.62 0.44 1.90 1.02 -1.26 -4.95 119.74 118.96 1s4f s LYS 228 Ca -0.02 1.26 0.06 0.00 0.02 0.00 0.00 55.97 57.28 1s4f s LYS 228 Cb 0.00 -2.07 0.06 0.00 -0.52 0.00 0.00 37.83 35.30 1s4f s LYS 228 CO 0.04 -0.57 0.49 0.27 -0.92 0.00 0.00 175.35 174.65 1s4f n ASN 229 N -1.47 1.99 -4.77 2.83 2.04 -1.26 -4.70 115.26 109.92 1s4f n ASN 229 Ca 0.09 -2.33 -0.40 0.00 -0.44 0.00 0.00 54.58 51.49 1s4f n ASN 229 Cb 0.53 -0.19 0.01 0.00 -2.53 0.00 0.00 39.78 37.59 1s4f n ASN 229 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 1s4f s ILE 230 N -1.97 2.19 0.00 1.53 1.01 -1.16 0.10 121.20 122.91 1s4f s ILE 230 Ca 0.37 0.17 0.00 0.00 0.00 0.00 0.00 60.65 61.20 1s4f s ILE 230 Cb -0.03 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.34 1s4f s ILE 230 CO 0.24 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.82 1s4f n GLY 231 N 0.57 2.07 0.38 6.18 0.00 -1.26 -4.30 105.19 108.83 1s4f n GLY 231 Ca 0.03 -0.45 0.14 0.00 0.00 0.00 0.00 46.02 45.74 1s4f n GLY 231 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s4f h GLU 232 N 0.00 0.55 -0.10 1.61 5.08 -1.67 0.34 114.58 120.39 1s4f h GLU 232 Ca 0.00 -0.03 -0.22 0.00 -1.00 0.00 0.00 59.36 58.10 1s4f h GLU 232 Cb 0.00 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.13 1s4f h GLU 232 CO 0.00 0.36 -0.83 0.28 -1.00 0.00 0.00 179.01 177.82 1s4f h VAL 233 N 0.56 1.31 -0.33 3.13 2.07 0.49 -2.74 116.25 120.74 1s4f h VAL 233 Ca 0.41 -2.09 0.07 0.00 0.82 0.00 0.00 66.70 65.91 1s4f h VAL 233 Cb 0.78 2.11 -0.08 0.00 -1.52 0.00 0.00 31.29 32.58 1s4f h VAL 233 CO -0.16 0.65 -0.23 -0.07 0.02 0.00 0.00 177.57 177.78 1s4f h LEU 234 N 0.44 -0.76 0.74 2.57 3.38 -0.67 -1.27 115.31 119.73 1s4f h LEU 234 Ca -0.06 0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1s4f h LEU 234 Cb 1.45 0.38 0.01 0.00 0.09 0.00 0.00 40.66 42.59 1s4f h LEU 234 CO 0.16 -0.26 -0.36 0.44 0.09 0.00 0.00 178.44 178.51 1s4f h ASP 235 N -0.19 -0.84 0.00 -0.43 3.32 -0.97 -3.29 116.42 114.02 1s4f h ASP 235 Ca 0.17 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1s4f h ASP 235 Cb 0.45 0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1s4f h ASP 235 CO -0.45 -0.56 0.00 -1.20 -1.72 0.00 0.00 179.24 175.31 1s4f n SER 236 N -5.50 0.00 -0.38 6.45 7.64 -1.04 -4.55 113.62 116.24 1s4f n SER 236 Ca -0.14 0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1s4f n SER 236 Cb 0.41 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1s4f n SER 236 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1s4f n GLU 237 N -1.91 0.78 -0.10 1.43 1.02 -1.05 -4.36 120.64 116.45 1s4f n GLU 237 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1s4f n GLU 237 Cb 0.00 -1.30 -0.09 0.00 -0.02 0.00 0.00 31.44 30.03 1s4f n GLU 237 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1s4f h LYS 238 N 0.17 -0.39 -1.09 3.49 3.64 -1.31 0.55 116.57 121.63 1s4f h LYS 238 Ca 0.00 0.03 0.32 0.00 -1.27 0.00 0.00 60.65 59.72 1s4f h LYS 238 Cb 0.30 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 1s4f h LYS 238 CO 0.00 -0.26 0.91 0.45 -2.27 0.00 0.00 179.45 178.27 1s4f h HIS 239 N -0.41 0.00 -0.23 1.91 3.86 -1.88 0.66 115.15 119.05 1s4f h HIS 239 Ca 0.06 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.20 1s4f h HIS 239 Cb 0.57 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 1s4f h HIS 239 CO -0.68 0.00 -0.13 -0.07 0.86 0.00 0.00 177.93 177.91 1s4f h LEU 240 N 0.00 0.52 -0.54 2.43 3.38 -0.22 -2.24 115.31 118.65 1s4f h LEU 240 Ca 0.52 -0.42 0.10 0.00 0.09 0.00 0.00 57.88 58.16 1s4f h LEU 240 Cb 2.33 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 42.85 1s4f h LEU 240 CO -0.01 0.83 0.09 0.58 0.09 0.00 0.00 178.44 180.02 1s4f h VAL 241 N 0.21 0.66 -0.03 1.22 2.07 0.78 -1.27 116.25 119.90 1s4f h VAL 241 Ca 0.05 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1s4f h VAL 241 Cb 0.64 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 1s4f h VAL 241 CO 0.04 0.04 -0.26 -0.33 0.02 0.00 0.00 177.57 177.08 1s4f h GLU 242 N 0.22 -0.37 0.00 1.57 5.08 -1.17 0.24 114.58 120.15 1s4f h GLU 242 Ca 0.27 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 1s4f h GLU 242 Cb 0.39 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1s4f h GLU 242 CO -0.38 -0.25 -0.03 0.37 -1.00 0.00 0.00 179.01 177.73 1s4f h GLN 243 N -0.38 0.00 0.05 2.33 5.75 -0.75 0.11 115.11 122.21 1s4f h GLN 243 Ca 0.07 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1s4f h GLN 243 Cb 0.48 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.04 1s4f h GLN 243 CO -0.25 0.03 -0.02 1.25 -2.65 0.00 0.00 178.83 177.19 1s4f h LEU 244 N 0.00 -0.06 -0.07 -2.39 6.46 -0.01 0.84 115.31 120.09 1s4f h LEU 244 Ca -0.00 -0.48 0.02 0.00 -0.12 0.00 0.00 57.88 57.30 1s4f h LEU 244 Cb 0.08 0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 39.97 1s4f h LEU 244 CO 0.00 0.47 -0.53 0.58 -0.62 0.00 0.00 178.44 178.34 1s4f h VAL 245 N -0.60 0.00 -0.95 1.05 2.07 -0.33 1.17 116.25 118.66 1s4f h VAL 245 Ca -0.01 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.70 1s4f h VAL 245 Cb 0.53 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.20 1s4f h VAL 245 CO 0.01 0.00 0.54 -0.09 0.02 0.00 0.00 177.57 178.05 1s4f h ARG 246 N -0.62 0.66 -0.23 1.57 2.43 -0.95 0.27 114.38 117.51 1s4f h ARG 246 Ca 0.02 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1s4f h ARG 246 Cb 0.69 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1s4f h ARG 246 CO -0.39 0.44 0.06 -0.44 -1.51 0.00 0.00 179.97 178.12 1s4f h ASP 247 N 0.68 0.34 -0.73 -3.80 3.45 0.45 -1.00 116.42 115.82 1s4f h ASP 247 Ca 0.55 -0.23 -0.04 0.00 0.43 0.00 0.00 57.03 57.75 1s4f h ASP 247 Cb 0.87 -0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 39.52 1s4f h ASP 247 CO -0.40 0.48 0.31 -0.07 -1.57 0.00 0.00 179.24 177.99 1s4f h LEU 248 N 0.19 1.00 -0.24 1.55 -0.00 0.30 -0.45 115.31 117.66 1s4f h LEU 248 Ca 0.07 -0.14 -0.03 0.00 -0.00 0.00 0.00 57.88 57.79 1s4f h LEU 248 Cb 0.27 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 40.66 1s4f h LEU 248 CO 0.00 0.88 0.04 0.50 -0.00 0.00 0.00 178.44 179.86 1s4f h LYS 249 N 1.07 0.39 0.00 1.13 3.64 -0.37 -0.78 116.57 121.65 1s4f h LYS 249 Ca 0.25 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1s4f h LYS 249 Cb 0.18 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1s4f h LYS 249 CO -0.02 0.52 0.00 0.00 -2.27 0.00 0.00 179.45 177.68 1s4f h ALA 250 N 0.85 1.00 -0.73 5.00 0.00 -0.90 -3.37 119.26 121.11 1s4f h ALA 250 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1s4f h ALA 250 Cb 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1s4f h ALA 250 CO 0.00 0.00 -0.15 0.41 0.00 0.00 0.00 179.25 179.52 1s4f n GLY 251 N -0.54 0.30 3.22 0.00 0.00 -0.30 -5.03 105.19 102.84 1s4f n GLY 251 Ca 0.00 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 1s4f n GLY 251 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4f n ARG 252 N -1.91 -2.72 -2.59 1.61 1.74 -0.38 -4.99 116.66 107.43 1s4f n ARG 252 Ca -0.07 -1.62 -0.40 0.00 -0.77 0.00 0.00 57.85 54.99 1s4f n ARG 252 Cb 0.47 -1.45 -0.05 0.00 -1.02 0.00 0.00 32.46 30.40 1s4f n ARG 252 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1s4f s LYS 253 N -5.30 4.65 0.07 5.56 1.02 -1.26 -4.85 119.74 119.63 1s4f s LYS 253 Ca 0.65 1.64 -0.01 0.00 0.02 0.00 0.00 55.97 58.27 1s4f s LYS 253 Cb -0.06 -3.11 -0.04 0.00 -0.52 0.00 0.00 37.83 34.10 1s4f s LYS 253 CO 0.49 0.27 -0.01 -1.50 -0.92 0.00 0.00 175.35 173.68 1s4f s ILE 254 N -1.26 0.19 -0.83 2.17 2.07 -1.26 -5.03 121.20 117.24 1s4f s ILE 254 Ca 0.45 -1.83 0.02 0.00 -1.41 0.00 0.00 60.65 57.88 1s4f s ILE 254 Cb -0.28 -1.65 0.32 0.00 0.13 0.00 0.00 42.46 40.97 1s4f s ILE 254 CO 0.36 -0.86 1.33 0.29 -1.91 0.00 0.00 174.94 174.15 1s4f n LYS 255 N 0.06 4.17 -1.99 3.50 5.02 -1.26 -5.05 118.16 122.61 1s4f n LYS 255 Ca -0.12 -4.72 -0.41 0.00 -2.02 0.00 0.00 58.31 51.04 1s4f n LYS 255 Cb 0.62 -2.37 -0.01 0.00 -0.02 0.00 0.00 35.03 33.24 1s4f n LYS 255 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1s4f s TYR 256 N -3.57 2.89 0.01 2.13 5.04 -1.26 -5.00 117.35 117.59 1s4f s TYR 256 Ca 0.41 1.25 -0.28 0.00 -2.44 0.00 0.00 57.07 56.02 1s4f s TYR 256 Cb 0.19 -3.82 0.09 0.00 0.35 0.00 0.00 41.96 38.78 1s4f s TYR 256 CO -0.08 -2.40 0.81 1.52 -1.34 0.00 0.00 175.55 174.06 1s4f s TYR 257 N -0.91 -0.42 0.07 4.97 -0.85 -1.26 -4.46 117.35 114.49 1s4f s TYR 257 Ca 0.52 0.38 0.07 0.00 -0.52 0.00 0.00 57.07 57.52 1s4f s TYR 257 Cb -0.42 0.52 -0.03 0.00 0.38 0.00 0.00 41.96 42.41 1s4f s TYR 257 CO 0.54 -0.60 -0.18 -1.21 -1.52 0.00 0.00 175.55 172.59 1s4f s GLU 258 N -2.84 1.05 -0.15 -3.49 2.02 0.15 -4.34 118.70 111.09 1s4f s GLU 258 Ca 0.02 -1.00 -0.11 0.00 0.02 0.00 0.00 54.97 53.90 1s4f s GLU 258 Cb -0.01 -1.18 -0.05 0.00 0.10 0.00 0.00 34.13 32.99 1s4f s GLU 258 CO -0.07 0.28 0.20 0.99 0.02 0.00 0.00 175.26 176.68 1s4f s THR 259 N -1.07 5.37 -0.16 3.63 2.01 -0.45 -0.29 115.64 124.68 1s4f s THR 259 Ca 0.04 0.35 -0.04 0.00 0.31 0.00 0.00 61.69 62.35 1s4f s THR 259 Cb -0.09 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 1s4f s THR 259 CO 0.03 0.48 -0.04 0.00 -0.69 0.00 0.00 174.62 174.39 1s4f s ALA 260 N -0.05 2.98 -0.10 7.40 0.00 -0.79 -0.91 121.76 130.29 1s4f s ALA 260 Ca 0.13 -0.83 -0.08 0.00 0.00 0.00 0.00 51.96 51.18 1s4f s ALA 260 Cb -0.12 -1.55 0.03 0.00 0.00 0.00 0.00 23.12 21.48 1s4f s ALA 260 CO 0.02 0.19 0.27 0.96 0.00 0.00 0.00 175.76 177.20 1s4f s ILE 261 N 0.40 -0.01 0.38 0.00 -4.36 0.71 -1.06 121.20 117.26 1s4f s ILE 261 Ca -0.04 0.04 -0.27 0.00 -0.26 0.00 0.00 60.65 60.12 1s4f s ILE 261 Cb -0.14 -0.39 -0.10 0.00 1.25 0.00 0.00 42.46 43.08 1s4f s ILE 261 CO 0.03 0.02 1.33 -2.16 0.24 0.00 0.00 174.94 174.39 1s4f s PRO 262 N 0.46 4.12 -0.25 0.37 0.04 -1.26 -1.17 135.00 137.31 1s4f s PRO 262 Ca -0.03 2.23 -0.25 0.00 0.04 0.00 0.00 61.00 62.99 1s4f s PRO 262 Cb -0.04 -2.90 -0.00 0.00 0.04 0.00 0.00 34.50 31.60 1s4f s PRO 262 CO -0.02 -0.39 0.88 0.21 0.04 0.00 0.00 177.00 177.71 1s4f s LYS 263 N -2.06 4.17 -0.76 4.56 2.20 0.72 -4.87 119.74 123.70 1s4f s LYS 263 Ca 0.53 0.99 -0.26 0.00 -0.36 0.00 0.00 55.97 56.87 1s4f s LYS 263 Cb -0.40 -3.66 0.02 0.00 -1.51 0.00 0.00 37.83 32.29 1s4f s LYS 263 CO 0.52 -0.58 1.42 1.21 -0.36 0.00 0.00 175.35 177.57 1s4f s ASN 264 N 1.36 6.02 0.07 1.43 2.47 -1.26 -4.53 114.94 120.50 1s4f s ASN 264 Ca 0.37 -0.46 -0.17 0.00 0.42 0.00 0.00 52.86 53.02 1s4f s ASN 264 Cb -0.15 -2.56 0.03 0.00 -1.45 0.00 0.00 41.25 37.13 1s4f s ASN 264 CO 0.08 -1.92 0.40 -1.83 -3.72 0.00 0.00 177.10 170.11 1s4f s GLU 265 N 5.90 0.96 0.25 0.43 -1.05 -1.26 -5.03 118.70 118.89 1s4f s GLU 265 Ca 0.43 -0.50 -0.19 0.00 -0.15 0.00 0.00 54.97 54.56 1s4f s GLU 265 Cb -0.08 0.42 -0.08 0.00 -0.44 0.00 0.00 34.13 33.95 1s4f s GLU 265 CO 0.12 -0.34 0.73 0.15 0.95 0.00 0.00 175.26 176.87 1s4f s LYS 266 N -2.95 4.20 0.14 -4.83 3.01 -1.26 -1.89 119.74 116.16 1s4f s LYS 266 Ca -0.02 0.83 0.05 0.00 -1.01 0.00 0.00 55.97 55.82 1s4f s LYS 266 Cb 0.00 -2.78 -0.04 0.00 -1.01 0.00 0.00 37.83 34.00 1s4f s LYS 266 CO -0.06 0.34 -0.12 1.03 0.51 0.00 0.00 175.35 177.05 1s4f s ARG 267 N -2.19 1.05 0.35 1.68 0.52 0.33 -4.88 118.95 115.81 1s4f s ARG 267 Ca 0.45 -1.35 -0.26 0.00 -0.52 0.00 0.00 55.73 54.05 1s4f s ARG 267 Cb -0.15 -0.77 -0.09 0.00 0.52 0.00 0.00 34.95 34.45 1s4f s ARG 267 CO 0.20 0.12 1.08 0.34 0.02 0.00 0.00 175.30 177.07 1s4f s ASP 268 N -2.84 6.95 0.00 0.23 3.68 -1.26 -1.42 116.67 122.01 1s4f s ASP 268 Ca 0.13 2.17 0.03 0.00 2.13 0.00 0.00 52.55 57.01 1s4f s ASP 268 Cb -0.01 -2.61 0.05 0.00 -1.45 0.00 0.00 42.92 38.90 1s4f s ASP 268 CO 0.02 -0.36 0.96 1.33 0.13 0.00 0.00 175.17 177.24 1s4f n VAL 269 N 0.48 0.00 -0.20 1.11 0.24 -1.06 -4.86 118.33 114.04 1s4f n VAL 269 Ca 0.02 -0.11 -0.02 0.00 -2.04 0.00 0.00 64.34 62.19 1s4f n VAL 269 Cb 0.47 0.49 0.08 0.00 -1.47 0.00 0.00 33.84 33.42 1s4f n VAL 269 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 1s4f h SER 270 N 0.11 0.39 0.17 -1.34 0.87 -1.91 0.21 113.55 112.06 1s4f h SER 270 Ca -0.04 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1s4f h SER 270 Cb 1.41 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 1s4f h SER 270 CO 0.01 0.26 -0.08 0.44 -0.53 0.00 0.00 176.83 176.92 1s4f h ASP 271 N 0.54 -0.19 0.00 6.23 3.32 -1.95 -1.58 116.42 122.79 1s4f h ASP 271 Ca 0.27 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1s4f h ASP 271 Cb 0.22 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1s4f h ASP 271 CO -0.21 0.02 0.00 0.47 -1.72 0.00 0.00 179.24 177.80 1s4f n ASP 272 N -5.11 0.00 -0.35 6.45 8.00 -0.76 -2.54 116.55 122.24 1s4f n ASP 272 Ca -0.09 0.68 0.22 0.00 0.71 0.00 0.00 54.79 56.31 1s4f n ASP 272 Cb 0.17 -0.18 0.47 0.00 -0.02 0.00 0.00 41.12 41.57 1s4f n ASP 272 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 1s4f h TRP 273 N 0.00 0.83 -0.72 1.24 4.06 -0.26 1.88 115.95 122.97 1s4f h TRP 273 Ca 0.00 0.03 0.21 0.00 2.06 0.00 0.00 58.89 61.19 1s4f h TRP 273 Cb 0.00 -0.23 -0.03 0.00 -1.00 0.00 0.00 29.16 27.90 1s4f h TRP 273 CO -0.10 -0.01 0.67 0.37 -3.56 0.00 0.00 178.44 175.80 1s4f h GLN 274 N 0.42 0.00 -5.76 0.49 5.75 -0.99 -3.34 115.11 111.68 1s4f h GLN 274 Ca 0.66 0.00 -0.68 0.00 -0.15 0.00 0.00 58.65 58.48 1s4f h GLN 274 Cb 1.54 0.00 -0.32 0.00 1.07 0.00 0.00 27.48 29.77 1s4f h GLN 274 CO -0.44 0.00 -0.88 0.00 -2.65 0.00 0.00 178.83 174.86 1s4f s ALA 275 N -4.70 2.15 0.00 3.38 0.00 0.64 -5.02 121.76 118.20 1s4f s ALA 275 Ca -0.04 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1s4f s ALA 275 Cb 0.18 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.58 1s4f s ALA 275 CO 0.62 0.37 0.00 0.41 0.00 0.00 0.00 175.76 177.16 1s4f n GLY 276 N 3.15 0.00 3.28 0.00 0.00 -1.25 -4.33 105.19 106.04 1s4f n GLY 276 Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 1s4f n GLY 276 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s4f n ASP 277 N 0.00 -1.26 -3.24 1.61 9.92 -1.26 -4.78 116.55 117.54 1s4f n ASP 277 Ca 0.00 -0.46 -0.37 0.00 -0.53 0.00 0.00 54.79 53.42 1s4f n ASP 277 Cb 0.00 -0.52 -0.01 0.00 -0.64 0.00 0.00 41.12 39.95 1s4f n ASP 277 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1s4f n LEU 278 N 5.52 7.49 -4.34 0.64 4.77 -1.26 -2.42 117.00 127.39 1s4f n LEU 278 Ca 0.64 -4.83 -0.35 0.00 -0.03 0.00 0.00 56.01 51.44 1s4f n LEU 278 Cb 0.12 -1.25 0.08 0.00 -2.33 0.00 0.00 43.42 40.04 1s4f n LEU 278 CO 1.02 1.96 -0.32 1.33 -1.33 0.00 0.00 177.39 180.05 1s4f n VAL 279 N 0.86 0.66 0.16 4.08 0.24 -1.26 -4.94 118.33 118.13 1s4f n VAL 279 Ca 0.55 -0.35 0.02 0.00 -2.04 0.00 0.00 64.34 62.51 1s4f n VAL 279 Cb 0.31 -0.50 -0.02 0.00 -1.47 0.00 0.00 33.84 32.17 1s4f n VAL 279 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1s4f n VAL 280 N -2.77 0.00 -3.83 3.34 0.31 -1.26 -5.00 118.33 109.12 1s4f n VAL 280 Ca 0.06 -0.42 -0.07 0.00 -0.01 0.00 0.00 64.34 63.90 1s4f n VAL 280 Cb 0.52 1.00 -0.02 0.00 -0.91 0.00 0.00 33.84 34.43 1s4f n VAL 280 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1s4f s GLU 281 N -1.32 1.75 0.03 5.55 -1.05 -1.26 -4.46 118.70 117.94 1s4f s GLU 281 Ca 0.01 -0.96 -0.00 0.00 -0.15 0.00 0.00 54.97 53.87 1s4f s GLU 281 Cb 0.03 0.60 -0.02 0.00 -0.44 0.00 0.00 34.13 34.30 1s4f s GLU 281 CO 0.14 -0.80 -0.03 0.21 0.95 0.00 0.00 175.26 175.73 1s4f s LYS 282 N -3.91 0.39 0.73 -4.83 2.20 -1.14 -4.95 119.74 108.23 1s4f s LYS 282 Ca 0.11 -0.75 -0.16 0.00 -0.36 0.00 0.00 55.97 54.80 1s4f s LYS 282 Cb -0.05 0.10 -0.03 0.00 -1.51 0.00 0.00 37.83 36.34 1s4f s LYS 282 CO 0.06 -0.06 0.59 2.89 -0.36 0.00 0.00 175.35 178.47 1s4f n ARG 283 N 1.27 0.31 -3.45 4.03 1.85 -1.26 -0.56 116.66 118.85 1s4f n ARG 283 Ca -0.22 0.15 -0.24 0.00 -1.00 0.00 0.00 57.85 56.54 1s4f n ARG 283 Cb 0.56 -1.88 -0.02 0.00 -1.05 0.00 0.00 32.46 30.07 1s4f n ARG 283 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1s4f s PRO 284 N -2.85 3.50 0.10 2.89 0.04 -1.25 -4.60 135.00 132.82 1s4f s PRO 284 Ca 0.66 -0.33 -0.27 0.00 0.04 0.00 0.00 61.00 61.10 1s4f s PRO 284 Cb -0.35 -2.70 -0.06 0.00 0.04 0.00 0.00 34.50 31.44 1s4f s PRO 284 CO 0.57 0.20 0.86 1.03 0.04 0.00 0.00 177.00 179.70 1s4f s ARG 285 N -4.11 4.61 -0.27 4.56 0.52 -1.26 -4.84 118.95 118.16 1s4f s ARG 285 Ca 0.40 1.26 -0.13 0.00 -0.52 0.00 0.00 55.73 56.74 1s4f s ARG 285 Cb -0.10 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 31.98 1s4f s ARG 285 CO 0.34 0.30 0.26 0.14 0.02 0.00 0.00 175.30 176.37 1s4f s VAL 286 N -0.23 5.26 -0.04 3.52 -7.23 -1.26 -0.20 120.40 120.22 1s4f s VAL 286 Ca 0.42 0.34 -0.17 0.00 -1.81 0.00 0.00 61.98 60.76 1s4f s VAL 286 Cb -0.22 -3.60 -0.05 0.00 0.56 0.00 0.00 36.38 33.07 1s4f s VAL 286 CO 0.27 0.23 0.45 -0.63 -0.31 0.00 0.00 175.10 175.11 1s4f s ILE 287 N 1.77 5.06 -0.07 -0.62 1.01 -0.32 -4.85 121.20 123.18 1s4f s ILE 287 Ca 0.10 0.93 0.03 0.00 0.00 0.00 0.00 60.65 61.71 1s4f s ILE 287 Cb -0.16 -3.78 0.01 0.00 0.01 0.00 0.00 42.46 38.54 1s4f s ILE 287 CO 0.10 0.47 -0.16 -1.10 0.00 0.00 0.00 174.94 174.24 1s4f s GLN 288 N -0.33 2.04 -0.01 2.79 -0.21 -1.25 -0.21 119.66 122.48 1s4f s GLN 288 Ca 0.25 -0.57 -0.16 0.00 0.02 0.00 0.00 55.36 54.90 1s4f s GLN 288 Cb -0.16 -1.65 0.03 0.00 1.00 0.00 0.00 33.01 32.23 1s4f s GLN 288 CO 0.13 0.11 0.34 1.52 -2.12 0.00 0.00 175.29 175.27 1s4f s TYR 289 N 0.45 -0.21 0.71 0.91 -0.85 -0.08 -0.75 117.35 117.53 1s4f s TYR 289 Ca -0.13 0.30 -0.11 0.00 -0.52 0.00 0.00 57.07 56.61 1s4f s TYR 289 Cb -0.15 0.12 0.02 0.00 0.38 0.00 0.00 41.96 42.33 1s4f s TYR 289 CO 0.05 -0.42 1.07 -2.14 -1.52 0.00 0.00 175.55 172.58 1s4f s PRO 290 N -1.47 2.78 0.49 -3.49 0.02 -1.26 -1.33 135.00 130.73 1s4f s PRO 290 Ca -0.12 1.02 -0.23 0.00 0.02 0.00 0.00 61.00 61.68 1s4f s PRO 290 Cb -0.04 -1.97 -0.07 0.00 0.02 0.00 0.00 34.50 32.44 1s4f s PRO 290 CO 0.04 -1.23 1.31 -1.91 -0.33 0.00 0.00 177.00 174.88 1s4f n GLU 291 N -3.19 1.81 -0.35 5.54 2.13 -1.26 -4.67 120.64 120.65 1s4f n GLU 291 Ca 0.08 0.65 0.15 0.00 0.66 0.00 0.00 57.16 58.71 1s4f n GLU 291 Cb 0.53 -2.49 0.36 0.00 0.27 0.00 0.00 31.44 30.12 1s4f n GLU 291 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1s4f h ALA 292 N 1.73 1.77 -0.15 4.31 0.00 -1.80 0.20 119.26 125.32 1s4f h ALA 292 Ca -0.50 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1s4f h ALA 292 Cb 1.30 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1s4f h ALA 292 CO 0.58 -0.18 -0.04 0.87 0.00 0.00 0.00 179.25 180.49 1s4f h LYS 293 N 0.66 0.30 -0.93 0.00 1.57 -1.89 -2.44 116.57 113.84 1s4f h LYS 293 Ca 0.60 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 59.26 1s4f h LYS 293 Cb 1.07 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.31 1s4f h LYS 293 CO -0.40 0.58 0.56 1.15 -0.57 0.00 0.00 179.45 180.77 1s4f h THR 294 N -0.00 1.26 -0.84 -0.16 2.02 -1.49 -0.52 112.91 113.18 1s4f h THR 294 Ca 0.04 -0.56 -0.02 0.00 0.77 0.00 0.00 66.41 66.64 1s4f h THR 294 Cb 0.47 -0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 66.77 1s4f h THR 294 CO 0.02 0.27 0.45 0.03 0.37 0.00 0.00 175.52 176.65 1s4f h ARG 295 N 1.29 1.18 0.10 6.66 3.08 -0.63 -0.81 114.38 125.25 1s4f h ARG 295 Ca 0.34 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 1s4f h ARG 295 Cb -0.06 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.77 1s4f h ARG 295 CO -0.06 0.87 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.59 1s4f h LEU 296 N 1.17 -0.12 -0.30 3.04 4.07 -0.87 -0.24 115.31 122.06 1s4f h LEU 296 Ca 0.29 -0.19 0.06 0.00 0.08 0.00 0.00 57.88 58.12 1s4f h LEU 296 Cb 0.05 0.03 -0.06 0.00 1.08 0.00 0.00 40.66 41.76 1s4f h LEU 296 CO -0.05 0.13 -0.07 0.00 -1.08 0.00 0.00 178.44 177.37 1s4f h ALA 297 N 0.51 0.20 0.47 1.53 0.00 -0.90 0.22 119.26 121.28 1s4f h ALA 297 Ca -0.01 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1s4f h ALA 297 Cb 0.30 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1s4f h ALA 297 CO 0.02 -0.46 -0.30 0.82 0.00 0.00 0.00 179.25 179.33 1s4f h ILE 298 N 0.00 0.00 -0.01 0.00 2.04 -1.07 -2.28 117.51 116.19 1s4f h ILE 298 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.01 1s4f h ILE 298 Cb 0.22 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.30 1s4f h ILE 298 CO -0.30 0.00 0.16 0.74 0.00 0.00 0.00 178.15 178.74 1s4f h THR 299 N -0.73 0.03 -0.04 -0.27 2.02 -0.89 0.43 112.91 113.47 1s4f h THR 299 Ca -0.06 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 66.91 1s4f h THR 299 Cb 0.59 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1s4f h THR 299 CO 0.05 0.00 -0.84 0.50 0.37 0.00 0.00 175.52 175.61 1s4f h LYS 300 N 0.00 0.38 0.00 6.66 3.64 0.01 -1.85 116.57 125.41 1s4f h LYS 300 Ca 0.01 -0.36 -0.10 0.00 -1.27 0.00 0.00 60.65 58.92 1s4f h LYS 300 Cb 0.32 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1s4f h LYS 300 CO -0.00 1.03 -1.96 1.33 -2.27 0.00 0.00 179.45 177.58 1s4f n VAL 301 N -3.78 0.46 -1.00 2.00 0.24 -0.61 -1.67 118.33 113.98 1s4f n VAL 301 Ca -0.05 -0.60 0.08 0.00 -2.04 0.00 0.00 64.34 61.72 1s4f n VAL 301 Cb 0.77 -0.19 0.28 0.00 -1.47 0.00 0.00 33.84 33.23 1s4f n VAL 301 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1s4f n MET 302 N -2.46 3.23 -0.28 7.34 2.81 0.04 -4.03 117.12 123.77 1s4f n MET 302 Ca -0.11 -2.91 0.10 0.00 -1.81 0.00 0.00 57.70 52.97 1s4f n MET 302 Cb 0.72 -1.92 0.25 0.00 -0.71 0.00 0.00 33.22 31.56 1s4f n MET 302 CO 0.00 0.00 0.00 -0.92 1.51 0.00 0.00 175.97 176.56 1s4f h TYR 303 N 2.15 0.25 -0.70 2.03 3.20 -1.53 0.35 116.97 122.73 1s4f h TYR 303 Ca 0.01 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 1s4f h TYR 303 Cb 1.56 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.82 1s4f h TYR 303 CO 0.62 -0.20 0.21 -0.91 -1.64 0.00 0.00 178.16 176.24 1s4f h ASN 304 N 0.19 1.02 0.11 -2.11 -0.26 -1.86 0.24 115.58 112.91 1s4f h ASN 304 Ca 0.50 -0.21 -0.19 0.00 -0.56 0.00 0.00 56.30 55.84 1s4f h ASN 304 Cb 0.97 -0.27 0.01 0.00 -1.06 0.00 0.00 38.32 37.97 1s4f h ASN 304 CO -0.64 0.97 -0.88 -0.25 -1.06 0.00 0.00 177.43 175.57 1s4f h TRP 305 N 1.03 0.43 -0.23 1.19 2.91 -1.53 -2.81 115.95 116.95 1s4f h TRP 305 Ca 0.22 -0.32 -0.01 0.00 1.13 0.00 0.00 58.89 59.92 1s4f h TRP 305 Cb 0.32 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 28.94 1s4f h TRP 305 CO 0.02 1.34 0.10 0.28 -1.03 0.00 0.00 178.44 179.16 1s4f h VAL 306 N -0.46 1.15 -0.00 2.65 2.07 -0.36 -2.85 116.25 118.45 1s4f h VAL 306 Ca -0.17 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1s4f h VAL 306 Cb 1.58 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1s4f h VAL 306 CO 0.10 0.15 -0.10 0.29 0.02 0.00 0.00 177.57 178.02 1s4f n LYS 307 N -4.83 0.64 -2.62 1.57 4.01 0.83 -4.39 118.16 113.37 1s4f n LYS 307 Ca -0.03 -0.20 -0.19 0.00 -0.51 0.00 0.00 58.31 57.38 1s4f n LYS 307 Cb 0.11 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.13 1s4f n LYS 307 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1s4f n GLN 308 N -1.01 -2.63 -1.96 1.97 1.13 -1.08 -4.91 117.38 108.90 1s4f n GLN 308 Ca 0.14 0.80 -0.41 0.00 -1.94 0.00 0.00 57.00 55.59 1s4f n GLN 308 Cb 0.27 -5.49 -0.02 0.00 0.11 0.00 0.00 30.24 25.11 1s4f n GLN 308 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1s4f s GLN 309 N -5.26 4.23 -0.32 -1.09 -1.52 -1.12 -1.60 119.66 112.99 1s4f s GLN 309 Ca 0.10 2.36 -0.03 0.00 -1.95 0.00 0.00 55.36 55.84 1s4f s GLN 309 Cb -0.05 -3.10 0.00 0.00 -0.22 0.00 0.00 33.01 29.65 1s4f s GLN 309 CO 0.12 -0.48 0.34 -2.30 -0.25 0.00 0.00 175.29 172.72 1s4f n PRO 310 N 2.48 -0.89 -1.64 2.91 -0.01 -1.26 -4.64 135.00 131.95 1s4f n PRO 310 Ca 0.08 1.14 -0.54 0.00 -0.01 0.00 0.00 63.50 64.16 1s4f n PRO 310 Cb 0.39 -3.68 -0.07 0.00 -0.01 0.00 0.00 33.50 30.13 1s4f n PRO 310 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 175.50 175.77 1s4f n VAL 311 N -1.02 0.34 -0.27 -1.45 0.31 -0.62 -4.76 118.33 110.86 1s4f n VAL 311 Ca 0.02 -0.11 0.03 0.00 -0.01 0.00 0.00 64.34 64.27 1s4f n VAL 311 Cb 0.40 -1.45 0.04 0.00 -0.91 0.00 0.00 33.84 31.93 1s4f n VAL 311 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1s4f n VAL 312 N 5.32 1.22 -3.72 2.52 0.24 -1.26 -4.97 118.33 117.68 1s4f n VAL 312 Ca 0.29 -1.31 -0.37 0.00 -2.04 0.00 0.00 64.34 60.92 1s4f n VAL 312 Cb 0.18 0.32 -0.12 0.00 -1.47 0.00 0.00 33.84 32.75 1s4f n VAL 312 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1s4f s ILE 313 N -1.46 4.47 -0.27 1.34 1.01 -1.26 -4.92 121.20 120.12 1s4f s ILE 313 Ca 0.09 -0.18 -0.36 0.00 0.00 0.00 0.00 60.65 60.20 1s4f s ILE 313 Cb 0.07 -3.13 -0.12 0.00 0.01 0.00 0.00 42.46 39.29 1s4f s ILE 313 CO 0.01 0.28 2.01 -2.65 0.00 0.00 0.00 174.94 174.59 1s4f n PRO 314 N 4.95 1.37 -0.87 2.79 -0.02 -1.26 -0.87 135.00 141.08 1s4f n PRO 314 Ca -0.15 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1s4f n PRO 314 Cb 0.51 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1s4f n PRO 314 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s4f n GLY 315 N 5.44 0.86 3.60 -1.23 0.00 -1.26 -4.61 105.19 107.99 1s4f n GLY 315 Ca 0.33 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.92 1s4f n GLY 315 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1s4f s TYR 316 N -3.39 1.51 -0.16 1.61 5.04 -0.05 0.13 117.35 122.03 1s4f s TYR 316 Ca 0.00 0.57 0.18 0.00 -2.44 0.00 0.00 57.07 55.38 1s4f s TYR 316 Cb 0.00 -4.03 0.42 0.00 0.35 0.00 0.00 41.96 38.70 1s4f s TYR 316 CO 0.00 -3.51 1.30 -1.91 -1.34 0.00 0.00 175.55 170.09 1s4f n GLU 317 N 8.56 2.18 -0.62 4.97 4.07 -0.20 -4.63 120.64 134.97 1s4f n GLU 317 Ca 0.26 -2.74 0.01 0.00 -0.06 0.00 0.00 57.16 54.63 1s4f n GLU 317 Cb 0.46 -1.69 0.24 0.00 -0.06 0.00 0.00 31.44 30.38 1s4f n GLU 317 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1s4f n GLY 318 N -0.93 2.66 0.00 8.31 0.00 -1.26 -3.24 105.19 110.73 1s4f n GLY 318 Ca 0.19 -0.61 0.01 0.00 0.00 0.00 0.00 46.02 45.61 1s4f n GLY 318 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1s4f n LYS 319 N 0.23 5.00 -3.73 1.61 -0.00 -1.26 -5.02 118.16 114.99 1s4f n LYS 319 Ca 0.22 -0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 58.15 1s4f n LYS 319 Cb 0.93 -0.67 -0.06 0.00 -0.00 0.00 0.00 35.03 35.23 1s4f n LYS 319 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1s4f s THR 320 N -1.35 5.33 0.09 0.58 2.01 -1.20 -5.07 115.64 116.03 1s4f s THR 320 Ca 0.00 0.45 -0.31 0.00 0.31 0.00 0.00 61.69 62.14 1s4f s THR 320 Cb 0.01 -3.52 -0.08 0.00 0.01 0.00 0.00 72.50 68.92 1s4f s THR 320 CO 0.05 0.60 1.49 -2.84 -0.69 0.00 0.00 174.62 173.23 1s4f s PRO 321 N -0.98 4.26 0.00 4.92 0.02 -1.26 -4.89 135.00 137.06 1s4f s PRO 321 Ca 0.18 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.38 1s4f s PRO 321 Cb -0.14 -3.37 0.00 0.00 0.02 0.00 0.00 34.50 31.01 1s4f s PRO 321 CO 0.07 -0.57 0.74 1.28 -0.33 0.00 0.00 177.00 178.19 1s4f n LEU 322 N 4.61 0.00 0.06 -5.54 7.99 -1.26 -2.31 117.00 120.55 1s4f n LEU 322 Ca 0.13 0.27 -0.05 0.00 -0.01 0.00 0.00 56.01 56.36 1s4f n LEU 322 Cb 0.41 -0.27 -0.09 0.00 -0.11 0.00 0.00 43.42 43.36 1s4f n LEU 322 CO 0.60 -0.27 0.02 2.19 -1.51 0.00 0.00 177.39 178.42 1s4f h PHE 323 N 0.00 0.00 -0.12 -1.77 -5.15 -1.90 -3.33 116.94 104.67 1s4f h PHE 323 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1s4f h PHE 323 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.33 1s4f h PHE 323 CO 0.00 0.85 0.00 0.27 -2.00 0.00 0.00 178.31 177.43 1s4f n ASN 324 N -3.21 2.11 -0.02 -0.68 0.23 -0.98 -4.49 115.26 108.22 1s4f n ASN 324 Ca -0.04 -1.66 -0.11 0.00 -0.53 0.00 0.00 54.58 52.24 1s4f n ASN 324 Cb 0.91 -0.08 -0.06 0.00 -2.08 0.00 0.00 39.78 38.48 1s4f n ASN 324 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1s4f h ILE 325 N 1.35 1.11 0.00 1.53 2.10 -1.71 -2.21 117.51 119.68 1s4f h ILE 325 Ca 0.00 -0.33 0.00 0.00 1.08 0.00 0.00 64.86 65.61 1s4f h ILE 325 Cb 0.48 1.13 0.00 0.00 -1.09 0.00 0.00 36.82 37.34 1s4f h ILE 325 CO 0.00 0.10 0.00 0.49 -1.08 0.00 0.00 178.15 177.66 1s4f n PHE 326 N -4.94 0.00 -0.04 2.19 3.01 -1.26 -2.06 117.46 114.35 1s4f n PHE 326 Ca -0.05 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.27 1s4f n PHE 326 Cb 0.09 -0.37 -0.12 0.00 -0.01 0.00 0.00 39.48 39.07 1s4f n PHE 326 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1s4f h ASP 327 N 0.00 0.05 -0.83 4.37 3.32 -1.60 -1.38 116.42 120.35 1s4f h ASP 327 Ca 0.00 -0.82 -0.04 0.00 0.02 0.00 0.00 57.03 56.19 1s4f h ASP 327 Cb 0.10 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 1s4f h ASP 327 CO 0.00 0.87 0.38 0.07 -1.72 0.00 0.00 179.24 178.83 1s4f h LYS 328 N -0.76 1.21 -0.40 3.56 2.10 -1.41 -1.33 116.57 119.54 1s4f h LYS 328 Ca -0.01 -0.19 -0.06 0.00 -2.00 0.00 0.00 60.65 58.39 1s4f h LYS 328 Cb 0.88 -0.21 -0.02 0.00 -0.90 0.00 0.00 32.23 31.98 1s4f h LYS 328 CO 0.01 0.94 0.00 0.28 -2.00 0.00 0.00 179.45 178.69 1s4f h VAL 329 N 1.19 1.22 -0.35 0.07 2.07 -1.54 -2.14 116.25 116.76 1s4f h VAL 329 Ca 0.28 -0.89 0.07 0.00 0.82 0.00 0.00 66.70 66.98 1s4f h VAL 329 Cb 0.15 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 1s4f h VAL 329 CO -0.03 0.31 -0.03 -0.09 0.02 0.00 0.00 177.57 177.75 1s4f h ARG 330 N 0.61 0.07 0.00 1.57 9.65 -0.10 0.11 114.38 126.29 1s4f h ARG 330 Ca 0.13 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 1s4f h ARG 330 Cb 0.38 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 1s4f h ARG 330 CO 0.01 0.04 0.00 1.63 2.80 0.00 0.00 179.97 184.46 1s4f n LYS 331 N -5.21 0.00 -0.20 0.20 4.76 -0.82 -1.31 118.16 115.57 1s4f n LYS 331 Ca 0.01 0.35 0.14 0.00 -2.87 0.00 0.00 58.31 55.94 1s4f n LYS 331 Cb 0.19 -1.03 0.26 0.00 -1.84 0.00 0.00 35.03 32.61 1s4f n LYS 331 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1s4f n GLU 332 N -0.92 -0.04 -0.02 1.97 1.02 -1.07 0.22 120.64 121.79 1s4f n GLU 332 Ca 0.00 0.88 -0.11 0.00 -0.02 0.00 0.00 57.16 57.91 1s4f n GLU 332 Cb 0.00 -1.47 -0.05 0.00 -0.02 0.00 0.00 31.44 29.90 1s4f n GLU 332 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 1s4f h TRP 333 N 0.00 0.19 0.00 -0.32 2.91 -0.10 -2.68 115.95 115.95 1s4f h TRP 333 Ca 0.43 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.44 1s4f h TRP 333 Cb 1.03 -0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 29.62 1s4f h TRP 333 CO -0.17 0.18 -0.04 -0.44 -1.03 0.00 0.00 178.44 176.94 1s4f h ASP 334 N 0.15 0.00 0.56 2.65 3.32 0.40 -2.78 116.42 120.72 1s4f h ASP 334 Ca 0.05 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 1s4f h ASP 334 Cb 0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1s4f h ASP 334 CO -0.01 0.04 -0.26 0.77 -1.72 0.00 0.00 179.24 178.06 1s4f h SER 335 N 0.00 0.00 -4.05 6.45 4.64 -1.17 -3.44 113.55 115.98 1s4f h SER 335 Ca -0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 1s4f h SER 335 Cb 0.15 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.29 1s4f h SER 335 CO 0.00 0.26 0.30 -0.36 -0.87 0.00 0.00 176.83 176.16 1s4f s PHE 336 N -3.98 3.54 0.00 4.77 0.08 -1.05 -5.04 117.98 116.29 1s4f s PHE 336 Ca -0.02 1.04 0.00 0.00 0.12 0.00 0.00 56.93 58.08 1s4f s PHE 336 Cb 0.13 -2.63 0.00 0.00 -0.57 0.00 0.00 43.02 39.95 1s4f s PHE 336 CO 0.65 -0.63 0.19 0.09 -0.10 0.00 0.00 175.22 175.43 1s4f n ASN 337 N -2.61 0.00 -4.14 1.36 5.03 -1.26 -4.50 115.26 109.15 1s4f n ASN 337 Ca 0.04 0.19 -0.38 0.00 0.87 0.00 0.00 54.58 55.30 1s4f n ASN 337 Cb 0.55 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.23 1s4f n ASN 337 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1s4f s GLU 338 N -0.39 2.87 1.27 3.52 2.12 -1.26 -5.07 118.70 121.76 1s4f s GLU 338 Ca 0.00 -2.66 -0.16 0.00 0.36 0.00 0.00 54.97 52.51 1s4f s GLU 338 Cb 0.00 -3.89 0.32 0.00 0.26 0.00 0.00 34.13 30.82 1s4f s GLU 338 CO 0.00 -1.21 0.99 -2.14 -0.54 0.00 0.00 175.26 172.36 1s4f s PRO 339 N -0.26 -1.72 -0.24 4.30 0.02 -1.26 -0.40 135.00 135.43 1s4f s PRO 339 Ca 0.19 0.61 -0.28 0.00 0.02 0.00 0.00 61.00 61.54 1s4f s PRO 339 Cb -0.16 -1.48 0.16 0.00 0.02 0.00 0.00 34.50 33.03 1s4f s PRO 339 CO -0.06 -4.19 1.18 0.08 -0.33 0.00 0.00 177.00 173.68 1s4f s VAL 340 N -2.37 0.00 -0.08 3.83 1.01 -0.60 -4.39 120.40 117.79 1s4f s VAL 340 Ca 0.69 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.70 1s4f s VAL 340 Cb -0.22 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.16 1s4f s VAL 340 CO 0.63 0.00 -0.21 0.00 0.00 0.00 0.00 175.10 175.52 1s4f s ALA 341 N -0.69 1.91 -0.14 5.51 0.00 -0.23 -1.40 121.76 126.73 1s4f s ALA 341 Ca 0.04 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 1s4f s ALA 341 Cb -0.02 -0.72 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 1s4f s ALA 341 CO -0.05 0.26 -0.07 0.08 0.00 0.00 0.00 175.76 175.97 1s4f s VAL 342 N 0.35 3.57 -0.04 0.00 1.01 -0.14 0.92 120.40 126.07 1s4f s VAL 342 Ca -0.16 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 1s4f s VAL 342 Cb -0.17 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 1s4f s VAL 342 CO 0.07 0.51 0.34 -0.44 0.00 0.00 0.00 175.10 175.58 1s4f s SER 343 N 0.27 6.69 0.23 3.32 0.01 -0.53 -1.17 113.70 122.52 1s4f s SER 343 Ca -0.06 0.82 -0.24 0.00 1.31 0.00 0.00 55.95 57.78 1s4f s SER 343 Cb -0.15 -2.20 -0.09 0.00 0.21 0.00 0.00 66.02 63.79 1s4f s SER 343 CO 0.04 0.33 0.81 -0.36 0.41 0.00 0.00 173.24 174.47 1s4f s PHE 344 N -0.97 3.77 -0.48 2.43 2.99 0.22 -4.37 117.98 121.58 1s4f s PHE 344 Ca 0.21 1.61 0.06 0.00 0.00 0.00 0.00 56.93 58.82 1s4f s PHE 344 Cb -0.15 -2.77 0.22 0.00 0.00 0.00 0.00 43.02 40.32 1s4f s PHE 344 CO 0.11 0.37 0.75 -3.47 -0.00 0.00 0.00 175.22 172.97 1s4f n ASP 345 N 1.02 -2.37 -4.83 1.36 2.03 -1.26 -4.45 116.55 108.05 1s4f n ASP 345 Ca -0.02 -3.04 -0.33 0.00 0.52 0.00 0.00 54.79 51.91 1s4f n ASP 345 Cb 0.50 1.24 -0.07 0.00 -0.72 0.00 0.00 41.12 42.07 1s4f n ASP 345 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1s4f s THR 346 N 0.39 4.52 -0.26 5.18 2.01 -1.26 -1.46 115.64 124.76 1s4f s THR 346 Ca 0.32 1.26 -0.19 0.00 0.31 0.00 0.00 61.69 63.40 1s4f s THR 346 Cb 0.15 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.98 1s4f s THR 346 CO -0.17 -0.19 0.56 -1.59 -0.69 0.00 0.00 174.62 172.54 1s4f s LYS 347 N -2.92 4.09 -1.25 4.92 -2.85 0.12 -4.37 119.74 117.49 1s4f s LYS 347 Ca 0.56 0.41 -0.16 0.00 -1.00 0.00 0.00 55.97 55.79 1s4f s LYS 347 Cb -0.11 -3.65 0.00 0.00 -2.06 0.00 0.00 37.83 32.01 1s4f s LYS 347 CO 0.16 -0.37 0.64 0.00 0.10 0.00 0.00 175.35 175.87 1s4f n ALA 348 N 5.60 -2.38 -0.34 0.59 0.00 -1.26 -4.75 120.51 117.98 1s4f n ALA 348 Ca -0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 53.44 53.08 1s4f n ALA 348 Cb 0.49 -2.97 0.01 0.00 0.00 0.00 0.00 19.45 16.98 1s4f n ALA 348 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1s4f n TRP 349 N -4.40 -0.06 -0.33 0.00 -0.00 -1.26 -0.53 117.44 110.85 1s4f n TRP 349 Ca -0.17 1.06 0.11 0.00 -0.00 0.00 0.00 57.50 58.50 1s4f n TRP 349 Cb 0.62 -0.77 0.31 0.00 -0.00 0.00 0.00 31.31 31.48 1s4f n TRP 349 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 177.69 177.25 1s4f h ASP 350 N 0.00 0.79 0.59 5.87 3.32 -1.88 0.49 116.42 125.60 1s4f h ASP 350 Ca 0.26 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1s4f h ASP 350 Cb 0.48 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1s4f h ASP 350 CO -0.84 0.37 0.00 0.41 -1.72 0.00 0.00 179.24 177.45 1s4f n THR 351 N -4.65 0.59 0.68 0.35 -1.04 0.31 -1.45 114.28 109.06 1s4f n THR 351 Ca 0.20 0.15 0.09 0.00 -2.04 0.00 0.00 64.05 62.45 1s4f n THR 351 Cb 0.48 -0.81 -0.11 0.00 -1.82 0.00 0.00 70.33 68.06 1s4f n THR 351 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s4f n GLN 352 N -1.44 0.86 -1.88 -2.82 3.00 0.17 -4.94 117.38 110.33 1s4f n GLN 352 Ca 0.06 -0.04 -0.42 0.00 -0.01 0.00 0.00 57.00 56.59 1s4f n GLN 352 Cb 0.21 -1.38 -0.03 0.00 0.00 0.00 0.00 30.24 29.04 1s4f n GLN 352 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1s4f s VAL 353 N -2.85 3.22 0.78 5.09 1.01 -1.04 -4.73 120.40 121.88 1s4f s VAL 353 Ca 0.04 0.43 -0.12 0.00 0.00 0.00 0.00 61.98 62.33 1s4f s VAL 353 Cb 0.13 -3.28 0.06 0.00 0.00 0.00 0.00 36.38 33.30 1s4f s VAL 353 CO 0.76 -0.03 1.14 -0.89 0.00 0.00 0.00 175.10 176.08 1s4f s THR 354 N 3.69 2.64 0.02 3.92 2.01 -1.26 -3.59 115.64 123.06 1s4f s THR 354 Ca 0.78 0.21 -0.25 0.00 0.31 0.00 0.00 61.69 62.74 1s4f s THR 354 Cb -0.38 -3.17 -0.18 0.00 0.01 0.00 0.00 72.50 68.78 1s4f s THR 354 CO 0.34 -0.27 1.40 0.28 -0.69 0.00 0.00 174.62 175.67 1s4f h SER 355 N -0.94 -0.13 -0.24 3.53 0.02 -1.88 -2.66 113.55 111.24 1s4f h SER 355 Ca -0.46 -0.25 0.07 0.00 -0.84 0.00 0.00 61.79 60.31 1s4f h SER 355 Cb 1.30 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.86 1s4f h SER 355 CO 0.64 0.18 0.19 0.11 -1.14 0.00 0.00 176.83 176.81 1s4f h LYS 356 N -0.45 0.00 -0.34 3.45 1.57 -1.99 0.16 116.57 118.97 1s4f h LYS 356 Ca -0.02 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1s4f h LYS 356 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1s4f h LYS 356 CO 0.03 0.00 0.07 -0.44 -0.57 0.00 0.00 179.45 178.54 1s4f h ASP 357 N 0.00 0.52 -0.79 0.86 3.32 -1.89 -1.50 116.42 116.95 1s4f h ASP 357 Ca 0.12 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1s4f h ASP 357 Cb 0.48 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 1s4f h ASP 357 CO -0.00 0.63 0.47 -0.07 -1.72 0.00 0.00 179.24 178.55 1s4f h LEU 358 N 0.39 0.96 -0.53 1.55 3.38 -0.40 -2.30 115.31 118.36 1s4f h LEU 358 Ca 0.10 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1s4f h LEU 358 Cb 0.32 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1s4f h LEU 358 CO 0.00 0.75 -0.13 1.56 0.09 0.00 0.00 178.44 180.71 1s4f h GLN 359 N 1.10 1.03 -0.28 1.13 4.20 -0.98 -1.08 115.11 120.23 1s4f h GLN 359 Ca 0.29 -0.39 0.05 0.00 0.06 0.00 0.00 58.65 58.65 1s4f h GLN 359 Cb -0.03 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.64 1s4f h GLN 359 CO -0.05 1.08 -0.04 1.25 -0.67 0.00 0.00 178.83 180.40 1s4f h LEU 360 N 0.91 -0.20 -1.53 1.46 6.46 -0.81 0.37 115.31 121.97 1s4f h LEU 360 Ca 0.14 0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.95 1s4f h LEU 360 Cb 0.70 0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.77 1s4f h LEU 360 CO 0.05 -0.07 0.04 0.40 -0.62 0.00 0.00 178.44 178.25 1s4f h ILE 361 N 0.03 1.13 -0.49 4.05 5.03 -1.21 -0.17 117.51 125.88 1s4f h ILE 361 Ca 0.14 -0.47 0.03 0.00 -0.12 0.00 0.00 64.86 64.44 1s4f h ILE 361 Cb 0.20 0.90 -0.04 0.00 -3.03 0.00 0.00 36.82 34.85 1s4f h ILE 361 CO -0.26 0.16 0.27 1.23 -0.68 0.00 0.00 178.15 178.87 1s4f h GLY 362 N 0.58 0.69 0.92 5.37 0.00 0.94 0.21 103.07 111.78 1s4f h GLY 362 Ca 0.08 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1s4f h GLY 362 CO -0.00 0.15 -0.02 0.83 0.00 0.00 0.00 176.54 177.51 1s4f h GLU 363 N 0.54 -0.04 0.00 4.80 4.39 0.78 -0.39 114.58 124.65 1s4f h GLU 363 Ca 0.21 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 1s4f h GLU 363 Cb 0.06 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1s4f h GLU 363 CO -0.12 0.05 -0.04 0.82 -1.16 0.00 0.00 179.01 178.56 1s4f h ILE 364 N -0.13 0.39 0.20 3.13 2.04 -0.63 0.40 117.51 122.92 1s4f h ILE 364 Ca -0.00 -0.23 -0.32 0.00 1.00 0.00 0.00 64.86 65.31 1s4f h ILE 364 Cb 0.11 1.16 0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1s4f h ILE 364 CO 0.01 0.04 -1.38 1.56 0.00 0.00 0.00 178.15 178.38 1s4f h GLN 365 N 0.00 0.52 0.00 2.37 4.20 0.17 -2.96 115.11 119.40 1s4f h GLN 365 Ca -0.00 -0.83 -0.01 0.00 0.06 0.00 0.00 58.65 57.87 1s4f h GLN 365 Cb 0.16 0.30 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 1s4f h GLN 365 CO 0.01 1.39 -0.06 0.87 -0.67 0.00 0.00 178.83 180.37 1s4f h LYS 366 N 0.17 0.00 -0.28 1.46 1.57 0.21 -2.08 116.57 117.62 1s4f h LYS 366 Ca -0.22 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.48 1s4f h LYS 366 Cb 2.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.36 1s4f h LYS 366 CO 0.26 0.06 -0.17 -0.92 -0.57 0.00 0.00 179.45 178.10 1s4f h TYR 367 N 0.00 0.53 -0.03 -1.35 3.20 -0.80 -3.06 116.97 115.46 1s4f h TYR 367 Ca -0.00 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.78 1s4f h TYR 367 Cb 0.47 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1s4f h TYR 367 CO 0.00 0.64 -0.03 0.66 -1.64 0.00 0.00 178.16 177.79 1s4f n TYR 368 N -4.17 0.00 -4.42 -3.82 4.02 -0.84 -1.64 117.16 106.29 1s4f n TYR 368 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.55 1s4f n TYR 368 Cb 0.35 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.57 1s4f n TYR 368 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1s4f s TYR 369 N -1.88 3.11 0.40 -0.72 1.51 -0.86 -0.94 117.35 117.97 1s4f s TYR 369 Ca 0.25 0.11 -0.24 0.00 -1.01 0.00 0.00 57.07 56.18 1s4f s TYR 369 Cb 0.18 -1.80 -0.11 0.00 -0.11 0.00 0.00 41.96 40.12 1s4f s TYR 369 CO 0.29 0.39 0.92 1.63 -1.11 0.00 0.00 175.55 177.66 1s4f n LYS 370 N 2.33 1.17 0.25 -0.62 5.02 0.14 -4.52 118.16 121.93 1s4f n LYS 370 Ca -0.18 0.42 0.17 0.00 -2.02 0.00 0.00 58.31 56.70 1s4f n LYS 370 Cb 0.53 -1.90 0.83 0.00 -0.02 0.00 0.00 35.03 34.47 1s4f n LYS 370 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1s4f h LYS 371 N 1.42 0.00 0.00 1.97 1.57 -1.90 -0.93 116.57 118.70 1s4f h LYS 371 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1s4f h LYS 371 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.66 1s4f h LYS 371 CO 0.56 0.00 0.00 -0.85 -0.57 0.00 0.00 179.45 178.59 1s4f n GLU 372 N -3.24 0.41 0.00 3.15 0.28 -1.26 -2.50 120.64 117.48 1s4f n GLU 372 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1s4f n GLU 372 Cb 0.42 -1.41 0.00 0.00 1.43 0.00 0.00 31.44 31.88 1s4f n GLU 372 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 1s4f n TRP 373 N -0.91 0.00 0.24 -1.84 7.02 -0.35 -4.76 117.44 116.83 1s4f n TRP 373 Ca 0.08 -0.05 0.09 0.00 -1.02 0.00 0.00 57.50 56.60 1s4f n TRP 373 Cb 0.04 -0.01 0.60 0.00 -2.42 0.00 0.00 31.31 29.52 1s4f n TRP 373 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1s4f h HIS 374 N 0.00 0.00 -0.07 -5.99 3.86 -1.62 -1.54 115.15 109.78 1s4f h HIS 374 Ca 0.00 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.03 1s4f h HIS 374 Cb 0.22 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.70 1s4f h HIS 374 CO 0.00 0.18 -0.66 -0.22 0.86 0.00 0.00 177.93 178.09 1s4f h LYS 375 N 0.00 0.58 0.01 2.45 3.64 -1.84 0.71 116.57 122.11 1s4f h LYS 375 Ca -0.00 -0.53 0.01 0.00 -1.27 0.00 0.00 60.65 58.86 1s4f h LYS 375 Cb 0.43 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1s4f h LYS 375 CO 0.02 1.15 -0.21 0.35 -2.27 0.00 0.00 179.45 178.49 1s4f h PHE 376 N 0.19 -0.62 -0.65 1.91 3.57 -1.49 0.61 116.94 120.47 1s4f h PHE 376 Ca -0.06 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.57 1s4f h PHE 376 Cb 1.32 0.27 -0.12 0.00 2.79 0.00 0.00 35.95 40.21 1s4f h PHE 376 CO 0.11 -0.23 -0.30 0.82 -2.23 0.00 0.00 178.31 176.49 1s4f h ILE 377 N -0.27 0.18 -0.25 1.41 2.04 -1.31 0.35 117.51 119.67 1s4f h ILE 377 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1s4f h ILE 377 Cb 0.29 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 1s4f h ILE 377 CO -0.14 0.00 0.07 0.44 0.00 0.00 0.00 178.15 178.52 1s4f h ASP 378 N -0.11 0.06 0.09 1.72 5.19 -0.42 -0.96 116.42 121.99 1s4f h ASP 378 Ca 0.27 0.03 0.02 0.00 -0.62 0.00 0.00 57.03 56.73 1s4f h ASP 378 Cb 0.55 0.03 -0.04 0.00 0.18 0.00 0.00 39.33 40.04 1s4f h ASP 378 CO -0.72 0.07 -0.35 0.74 -3.12 0.00 0.00 179.24 175.87 1s4f h THR 379 N 0.18 0.27 -0.68 0.35 2.02 0.22 0.15 112.91 115.42 1s4f h THR 379 Ca 0.11 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 1s4f h THR 379 Cb 0.09 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 1s4f h THR 379 CO -0.12 0.00 0.35 -0.29 0.37 0.00 0.00 175.52 175.82 1s4f h ILE 380 N -0.56 1.22 -0.49 3.11 2.10 -1.04 -2.41 117.51 119.45 1s4f h ILE 380 Ca 0.04 -0.59 -0.02 0.00 1.08 0.00 0.00 64.86 65.36 1s4f h ILE 380 Cb 0.60 0.36 -0.02 0.00 -1.09 0.00 0.00 36.82 36.67 1s4f h ILE 380 CO -0.22 0.25 0.20 0.74 -1.08 0.00 0.00 178.15 178.04 1s4f h THR 381 N 0.94 1.18 -0.07 2.19 2.02 -0.75 -0.87 112.91 117.54 1s4f h THR 381 Ca 0.24 -0.54 -0.06 0.00 0.77 0.00 0.00 66.41 66.81 1s4f h THR 381 Cb 0.08 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1s4f h THR 381 CO -0.03 0.21 -0.25 -0.78 0.37 0.00 0.00 175.52 175.04 1s4f h ASP 382 N 0.69 0.12 -0.21 4.18 -0.00 -0.24 -2.83 116.42 118.14 1s4f h ASP 382 Ca 0.17 -0.03 -0.16 0.00 -0.00 0.00 0.00 57.03 57.00 1s4f h ASP 382 Cb 0.12 -0.03 0.00 0.00 -0.00 0.00 0.00 39.33 39.42 1s4f h ASP 382 CO -0.02 0.38 -0.50 0.45 -0.00 0.00 0.00 179.24 179.55 1s4f h HIS 383 N 0.12 0.91 0.00 0.28 3.86 -0.79 -3.21 115.15 116.32 1s4f h HIS 383 Ca 0.02 -0.35 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 1s4f h HIS 383 Cb 0.52 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1s4f h HIS 383 CO 0.00 1.14 0.00 -1.33 0.86 0.00 0.00 177.93 178.60 1s4f n MET 384 N -4.13 0.58 0.04 2.45 2.81 -0.75 -2.85 117.12 115.26 1s4f n MET 384 Ca -0.06 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 55.95 1s4f n MET 384 Cb 0.60 -1.17 0.09 0.00 -0.71 0.00 0.00 33.22 32.03 1s4f n MET 384 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1s4f n THR 385 N -0.67 0.26 -3.21 2.03 -1.04 -1.21 -4.26 114.28 106.16 1s4f n THR 385 Ca 0.05 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 1s4f n THR 385 Cb 0.02 0.05 -0.01 0.00 -1.82 0.00 0.00 70.33 68.56 1s4f n THR 385 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1s4f s GLU 386 N -3.18 0.77 -0.03 -2.82 2.12 -1.13 -1.48 118.70 112.95 1s4f s GLU 386 Ca 0.05 -0.20 -0.09 0.00 0.36 0.00 0.00 54.97 55.08 1s4f s GLU 386 Cb 0.14 0.06 -0.05 0.00 0.26 0.00 0.00 34.13 34.54 1s4f s GLU 386 CO 0.76 -1.17 0.28 0.08 -0.54 0.00 0.00 175.26 174.67 1s4f s VAL 387 N 1.94 5.27 -0.22 3.70 1.01 -0.27 -4.92 120.40 126.92 1s4f s VAL 387 Ca 0.15 0.39 -0.17 0.00 0.00 0.00 0.00 61.98 62.35 1s4f s VAL 387 Cb -0.06 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1s4f s VAL 387 CO -0.09 0.50 0.46 -2.84 0.00 0.00 0.00 175.10 173.13 1s4f s PRO 388 N -1.36 4.15 -0.07 2.72 0.02 -1.26 -0.52 135.00 138.67 1s4f s PRO 388 Ca 0.23 0.29 0.03 0.00 0.02 0.00 0.00 61.00 61.57 1s4f s PRO 388 Cb -0.14 -3.57 -0.02 0.00 0.02 0.00 0.00 34.50 30.79 1s4f s PRO 388 CO 0.12 -0.15 -0.16 0.08 -0.33 0.00 0.00 177.00 176.56 1s4f s VAL 389 N 1.66 2.91 -0.28 3.83 1.01 0.47 0.30 120.40 130.30 1s4f s VAL 389 Ca 0.21 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 1s4f s VAL 389 Cb -0.15 -2.15 0.03 0.00 0.00 0.00 0.00 36.38 34.11 1s4f s VAL 389 CO 0.09 0.57 -0.01 -0.63 0.00 0.00 0.00 175.10 175.12 1s4f s ILE 390 N -0.35 3.13 0.96 2.22 1.01 0.60 -1.08 121.20 127.69 1s4f s ILE 390 Ca 0.03 -1.14 -0.11 0.00 0.00 0.00 0.00 60.65 59.43 1s4f s ILE 390 Cb -0.12 -2.69 0.17 0.00 0.01 0.00 0.00 42.46 39.82 1s4f s ILE 390 CO 0.02 0.03 1.09 0.42 0.00 0.00 0.00 174.94 176.50 1s4f s THR 391 N 1.32 2.41 0.39 2.92 -4.23 0.17 -1.89 115.64 116.73 1s4f s THR 391 Ca -0.02 0.13 0.11 0.00 -1.18 0.00 0.00 61.69 60.73 1s4f s THR 391 Cb -0.18 -2.40 0.15 0.00 1.34 0.00 0.00 72.50 71.41 1s4f s THR 391 CO -0.02 -0.17 1.91 0.00 -0.54 0.00 0.00 174.62 175.80 1s4f h ALA 392 N -1.86 1.51 0.00 3.99 0.00 -1.42 -2.22 119.26 119.26 1s4f h ALA 392 Ca -0.50 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1s4f h ALA 392 Cb 1.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1s4f h ALA 392 CO 0.50 0.35 0.00 0.38 0.00 0.00 0.00 179.25 180.48 1s4f h ASP 393 N 0.16 0.00 0.00 0.00 2.03 -1.91 -3.47 116.42 113.24 1s4f h ASP 393 Ca 0.03 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.33 1s4f h ASP 393 Cb 0.41 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.91 1s4f h ASP 393 CO 0.03 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.85 1s4f n GLY 394 N 0.81 1.72 3.72 7.15 0.00 -0.84 -5.12 105.19 112.65 1s4f n GLY 394 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1s4f n GLY 394 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s4f s GLU 395 N 0.00 2.17 -0.07 1.61 0.41 -1.26 -4.68 118.70 116.88 1s4f s GLU 395 Ca 0.00 1.72 0.01 0.00 -0.41 0.00 0.00 54.97 56.29 1s4f s GLU 395 Cb 0.00 -1.84 0.02 0.00 -1.78 0.00 0.00 34.13 30.53 1s4f s GLU 395 CO 0.00 -1.80 -0.06 0.08 -0.49 0.00 0.00 175.26 172.99 1s4f s VAL 396 N -2.03 0.76 0.02 2.63 1.01 -1.26 0.42 120.40 121.95 1s4f s VAL 396 Ca 0.73 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.55 1s4f s VAL 396 Cb -0.28 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 1s4f s VAL 396 CO 0.45 0.29 -0.10 -0.72 0.00 0.00 0.00 175.10 175.02 1s4f s TYR 397 N 1.21 0.87 -0.60 5.22 -0.85 -0.24 -4.98 117.35 117.98 1s4f s TYR 397 Ca -0.06 -0.30 -0.16 0.00 -0.52 0.00 0.00 57.07 56.03 1s4f s TYR 397 Cb -0.14 -0.53 0.14 0.00 0.38 0.00 0.00 41.96 41.81 1s4f s TYR 397 CO -0.02 -0.01 0.58 0.42 -1.52 0.00 0.00 175.55 175.00 1s4f s ILE 398 N -0.73 5.22 0.04 -3.49 1.09 -1.26 -0.40 121.20 121.67 1s4f s ILE 398 Ca -0.01 -1.59 -0.30 0.00 -1.10 0.00 0.00 60.65 57.65 1s4f s ILE 398 Cb -0.06 -4.39 -0.05 0.00 -1.06 0.00 0.00 42.46 36.90 1s4f s ILE 398 CO 0.00 -0.94 1.10 -0.60 -0.10 0.00 0.00 174.94 174.41 1s4f s ARG 399 N 1.52 4.49 -0.89 2.79 3.52 0.32 -4.91 118.95 125.80 1s4f s ARG 399 Ca 0.07 1.62 -0.19 0.00 -0.13 0.00 0.00 55.73 57.10 1s4f s ARG 399 Cb -0.26 -3.39 0.13 0.00 -1.56 0.00 0.00 34.95 29.87 1s4f s ARG 399 CO 0.01 -0.16 1.07 -0.80 -0.81 0.00 0.00 175.30 174.61 1s4f s ASN 400 N 1.01 6.59 0.00 -2.12 0.01 -1.26 -1.11 114.94 118.05 1s4f s ASN 400 Ca 0.56 -2.00 0.00 0.00 -0.71 0.00 0.00 52.86 50.71 1s4f s ASN 400 Cb -0.26 -2.38 0.00 0.00 0.41 0.00 0.00 41.25 39.02 1s4f s ASN 400 CO 0.29 -1.05 0.00 0.61 -1.51 0.00 0.00 177.10 175.44 1s4f n GLY 401 N 5.35 0.00 0.00 0.66 0.00 -0.55 -4.72 105.19 105.92 1s4f n GLY 401 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1s4f n GLY 401 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1s4f n GLN 402 N 0.94 0.00 -3.98 1.61 6.02 -1.24 -4.58 117.38 116.16 1s4f n GLN 402 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.64 1s4f n GLN 402 Cb 0.00 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.13 1s4f n GLN 402 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1s4f s ARG 403 N -1.45 3.62 -0.49 -1.09 6.06 -0.53 -4.93 118.95 120.14 1s4f s ARG 403 Ca 0.00 -0.51 -0.24 0.00 -2.50 0.00 0.00 55.73 52.48 1s4f s ARG 403 Cb 0.00 -3.14 0.03 0.00 0.06 0.00 0.00 34.95 31.91 1s4f s ARG 403 CO 0.00 -0.04 0.85 0.20 -2.50 0.00 0.00 175.30 173.81 1s4f s GLY 404 N 1.16 1.52 0.29 8.12 0.00 -1.26 -4.75 107.32 112.41 1s4f s GLY 404 Ca 0.03 -1.09 0.18 0.00 0.00 0.00 0.00 44.72 43.84 1s4f s GLY 404 CO 0.02 1.90 1.18 -1.14 0.00 0.00 0.00 173.10 175.06 1s4f n SER 405 N 7.01 0.23 0.00 1.64 3.41 -1.23 0.15 113.62 124.84 1s4f n SER 405 Ca 0.02 1.19 0.11 0.00 -0.26 0.00 0.00 58.87 59.93 1s4f n SER 405 Cb 0.48 -0.58 0.54 0.00 -0.26 0.00 0.00 64.21 64.39 1s4f n SER 405 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s4f n GLY 406 N -1.25 -1.10 3.77 5.00 0.00 0.07 -4.78 105.19 106.90 1s4f n GLY 406 Ca 0.29 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1s4f n GLY 406 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s4f s GLN 407 N -2.69 3.81 0.22 1.61 -0.21 0.40 -4.40 119.66 118.39 1s4f s GLN 407 Ca 0.19 2.30 -0.09 0.00 0.02 0.00 0.00 55.36 57.77 1s4f s GLN 407 Cb 0.15 -2.70 0.18 0.00 1.00 0.00 0.00 33.01 31.64 1s4f s GLN 407 CO 0.36 -0.67 1.87 -1.35 -2.12 0.00 0.00 175.29 173.38 1s4f h PRO 408 N 2.48 1.11 0.00 2.91 0.11 -1.88 -2.98 132.00 133.74 1s4f h PRO 408 Ca -0.50 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.51 1s4f h PRO 408 Cb 1.26 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1s4f h PRO 408 CO 0.62 0.77 0.00 -3.47 -0.21 0.00 0.00 178.00 175.71 1s4f n ASP 409 N -4.46 0.28 -0.24 -2.05 2.03 -1.26 -4.27 116.55 106.57 1s4f n ASP 409 Ca 0.08 0.58 -0.06 0.00 0.52 0.00 0.00 54.79 55.91 1s4f n ASP 409 Cb 0.05 -0.64 -0.06 0.00 -0.72 0.00 0.00 41.12 39.76 1s4f n ASP 409 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1s4f n THR 410 N -1.82 -0.39 0.17 5.18 -1.04 -1.13 0.12 114.28 115.37 1s4f n THR 410 Ca 0.02 1.90 -0.13 0.00 -2.04 0.00 0.00 64.05 63.80 1s4f n THR 410 Cb 0.16 -2.40 -0.08 0.00 -1.82 0.00 0.00 70.33 66.19 1s4f n THR 410 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1s4f h SER 411 N 0.00 -1.11 0.03 8.00 0.87 -1.85 0.51 113.55 119.99 1s4f h SER 411 Ca 0.09 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1s4f h SER 411 Cb 0.24 0.38 -0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1s4f h SER 411 CO -0.54 -0.48 -0.02 0.00 -0.53 0.00 0.00 176.83 175.25 1s4f h ALA 412 N -1.00 -0.05 -0.16 6.23 0.00 -1.72 -0.06 119.26 122.51 1s4f h ALA 412 Ca -0.03 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1s4f h ALA 412 Cb 0.63 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 1s4f h ALA 412 CO -0.11 -0.53 -0.48 0.78 0.00 0.00 0.00 179.25 178.91 1s4f h GLY 413 N -0.06 -0.88 1.36 0.00 0.00 0.11 0.27 103.07 103.88 1s4f h GLY 413 Ca 0.00 0.60 -0.07 0.00 0.00 0.00 0.00 47.33 47.86 1s4f h GLY 413 CO -0.01 -0.21 -0.01 3.43 0.00 0.00 0.00 176.54 179.75 1s4f h ASN 414 N -0.52 0.75 0.24 0.19 2.35 0.11 -1.07 115.58 117.63 1s4f h ASN 414 Ca 0.06 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 1s4f h ASN 414 Cb 0.65 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1s4f h ASN 414 CO -0.43 0.82 -0.12 0.28 -1.65 0.00 0.00 177.43 176.33 1s4f h SER 415 N 0.73 -0.27 0.01 5.81 0.02 -0.39 0.76 113.55 120.21 1s4f h SER 415 Ca 0.14 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1s4f h SER 415 Cb 0.46 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1s4f h SER 415 CO 0.02 0.00 -0.07 -0.03 -1.14 0.00 0.00 176.83 175.61 1s4f h MET 416 N -0.56 -0.13 -0.32 3.45 1.85 -0.43 -0.33 114.93 118.47 1s4f h MET 416 Ca -0.03 0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.06 1s4f h MET 416 Cb 0.41 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.45 1s4f h MET 416 CO 0.05 -0.09 0.17 1.25 -0.40 0.00 0.00 176.91 177.90 1s4f h LEU 417 N -0.13 0.38 -0.01 3.39 5.85 -1.19 -1.75 115.31 121.84 1s4f h LEU 417 Ca 0.03 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1s4f h LEU 417 Cb 0.17 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1s4f h LEU 417 CO -0.07 0.31 -0.01 -1.13 -0.34 0.00 0.00 178.44 177.20 1s4f h ASN 418 N 0.44 0.02 -0.48 1.25 -1.24 -0.11 -2.21 115.58 113.24 1s4f h ASN 418 Ca 0.11 -0.45 0.00 0.00 0.71 0.00 0.00 56.30 56.68 1s4f h ASN 418 Cb 0.02 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.04 1s4f h ASN 418 CO -0.02 0.46 0.32 -0.37 -1.29 0.00 0.00 177.43 176.53 1s4f h VAL 419 N -0.42 1.13 0.08 2.57 -1.51 -0.79 -0.47 116.25 116.83 1s4f h VAL 419 Ca 0.00 -0.23 0.02 0.00 -1.23 0.00 0.00 66.70 65.26 1s4f h VAL 419 Cb 0.46 0.42 -0.04 0.00 -2.13 0.00 0.00 31.29 30.00 1s4f h VAL 419 CO 0.00 0.12 -0.24 -0.07 -1.23 0.00 0.00 177.57 176.15 1s4f h LEU 420 N 0.65 -0.70 -0.31 4.19 3.38 -1.34 0.20 115.31 121.38 1s4f h LEU 420 Ca 0.18 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.26 1s4f h LEU 420 Cb -0.07 0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1s4f h LEU 420 CO -0.04 -0.32 0.12 0.74 0.09 0.00 0.00 178.44 179.03 1s4f h THR 421 N -0.42 0.93 -0.29 0.22 2.02 -1.17 0.12 112.91 114.31 1s4f h THR 421 Ca 0.04 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 1s4f h THR 421 Cb 0.47 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1s4f h THR 421 CO -0.17 0.05 0.12 0.24 0.37 0.00 0.00 175.52 176.13 1s4f h MET 422 N 0.26 0.44 0.32 6.66 2.86 -0.71 0.45 114.93 125.21 1s4f h MET 422 Ca 0.14 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1s4f h MET 422 Cb 0.09 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 1s4f h MET 422 CO -0.13 0.46 -0.46 0.52 1.06 0.00 0.00 176.91 178.36 1s4f h MET 423 N 0.32 -0.81 -0.80 1.72 2.07 -0.29 0.52 114.93 117.66 1s4f h MET 423 Ca 0.10 0.05 0.19 0.00 -2.07 0.00 0.00 59.70 57.97 1s4f h MET 423 Cb 0.19 0.18 -0.13 0.00 -1.87 0.00 0.00 31.60 29.96 1s4f h MET 423 CO -0.01 -0.54 0.10 -0.92 1.07 0.00 0.00 176.91 176.61 1s4f h TYR 424 N -0.84 0.11 -0.54 -0.22 3.20 -0.54 0.71 116.97 118.86 1s4f h TYR 424 Ca -0.03 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 1s4f h TYR 424 Cb 0.78 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 1s4f h TYR 424 CO -0.30 -0.22 0.24 0.00 -1.64 0.00 0.00 178.16 176.23 1s4f h ALA 425 N 1.73 0.70 0.25 1.82 0.00 0.12 0.26 119.26 124.14 1s4f h ALA 425 Ca 0.46 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1s4f h ALA 425 Cb 0.86 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1s4f h ALA 425 CO -0.65 0.29 -0.17 0.35 0.00 0.00 0.00 179.25 179.07 1s4f h PHE 426 N 0.73 -0.44 0.19 0.00 3.57 0.21 -0.25 116.94 120.95 1s4f h PHE 426 Ca 0.18 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1s4f h PHE 426 Cb 0.16 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1s4f h PHE 426 CO 0.00 -0.26 -0.18 0.00 -2.23 0.00 0.00 178.31 175.64 1s4f h GLU 428 N -0.40 0.00 0.00 0.00 4.39 -0.76 -1.55 114.58 116.26 1s4f h GLU 428 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1s4f h GLU 428 Cb 0.37 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1s4f h GLU 428 CO -0.04 0.00 -0.16 0.77 -1.16 0.00 0.00 179.01 178.42 1s4f h SER 429 N 0.00 0.00 0.06 1.42 0.02 0.25 -3.41 113.55 111.90 1s4f h SER 429 Ca 0.27 -0.87 -0.12 0.00 -0.84 0.00 0.00 61.79 60.23 1s4f h SER 429 Cb 1.10 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.65 1s4f h SER 429 CO -0.00 1.03 -0.49 0.71 -1.14 0.00 0.00 176.83 176.94 1s4f h THR 430 N -1.00 1.58 0.00 -2.27 1.35 -0.66 -3.45 112.91 108.45 1s4f h THR 430 Ca -0.04 -2.32 0.00 0.00 -0.55 0.00 0.00 66.41 63.49 1s4f h THR 430 Cb 0.98 3.09 0.00 0.00 -1.73 0.00 0.00 68.15 70.48 1s4f h THR 430 CO -0.03 0.64 0.00 0.61 -0.25 0.00 0.00 175.52 176.50 1s4f n GLY 431 N 1.46 1.06 3.70 5.82 0.00 -0.61 -5.09 105.19 111.53 1s4f n GLY 431 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1s4f n GLY 431 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s4f s VAL 432 N -1.84 2.64 0.53 1.61 1.01 -1.25 -4.96 120.40 118.15 1s4f s VAL 432 Ca 0.00 0.30 -0.21 0.00 0.00 0.00 0.00 61.98 62.07 1s4f s VAL 432 Cb 0.00 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 1s4f s VAL 432 CO 0.00 0.01 1.19 -2.16 0.00 0.00 0.00 175.10 174.14 1s4f s PRO 433 N 2.02 3.33 0.18 2.72 0.04 -1.26 -4.60 135.00 137.43 1s4f s PRO 433 Ca 0.75 1.80 -0.22 0.00 0.04 0.00 0.00 61.00 63.36 1s4f s PRO 433 Cb -0.44 -2.13 0.10 0.00 0.04 0.00 0.00 34.50 32.07 1s4f s PRO 433 CO 0.33 -0.91 1.58 1.88 0.04 0.00 0.00 177.00 179.92 1s4f h TYR 434 N 1.39 -1.00 0.00 0.56 0.05 -1.96 0.27 116.97 116.27 1s4f h TYR 434 Ca -0.50 0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.35 1s4f h TYR 434 Cb 1.27 0.52 0.00 0.00 1.01 0.00 0.00 36.73 39.53 1s4f h TYR 434 CO 0.50 -0.39 0.00 1.63 -1.05 0.00 0.00 178.16 178.85 1s4f n LYS 435 N -5.43 0.14 -0.16 4.88 5.02 -1.26 -1.71 118.16 119.64 1s4f n LYS 435 Ca 0.03 0.54 0.10 0.00 -2.02 0.00 0.00 58.31 56.96 1s4f n LYS 435 Cb 0.35 -1.87 0.28 0.00 -0.02 0.00 0.00 35.03 33.77 1s4f n LYS 435 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1s4f n SER 436 N -2.16 2.45 0.21 4.39 7.64 0.08 -4.56 113.62 121.67 1s4f n SER 436 Ca 0.00 -1.88 -0.12 0.00 1.01 0.00 0.00 58.87 57.87 1s4f n SER 436 Cb 0.10 -0.22 -0.07 0.00 -1.01 0.00 0.00 64.21 63.02 1s4f n SER 436 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1s4f h PHE 437 N 3.02 -0.95 0.00 1.43 3.57 -1.33 -2.45 116.94 120.24 1s4f h PHE 437 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1s4f h PHE 437 Cb 0.67 0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1s4f h PHE 437 CO 0.22 -0.46 0.07 -1.71 -2.23 0.00 0.00 178.31 174.20 1s4f n ASN 438 N -4.47 0.00 -0.04 0.41 2.85 -1.26 -0.88 115.26 111.87 1s4f n ASN 438 Ca -0.08 0.30 -0.02 0.00 -0.11 0.00 0.00 54.58 54.67 1s4f n ASN 438 Cb 0.32 -0.30 -0.14 0.00 1.24 0.00 0.00 39.78 40.90 1s4f n ASN 438 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1s4f n ARG 439 N -1.28 0.66 -0.00 1.20 5.12 -0.94 -4.46 116.66 116.97 1s4f n ARG 439 Ca 0.00 0.01 0.08 0.00 -1.93 0.00 0.00 57.85 56.01 1s4f n ARG 439 Cb 0.07 -1.60 -0.11 0.00 -1.16 0.00 0.00 32.46 29.66 1s4f n ARG 439 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 1s4f n VAL 440 N -2.66 0.00 -3.73 1.55 0.24 -0.06 -5.04 118.33 108.63 1s4f n VAL 440 Ca -0.18 -0.25 -0.10 0.00 -2.04 0.00 0.00 64.34 61.77 1s4f n VAL 440 Cb 0.91 0.56 -0.05 0.00 -1.47 0.00 0.00 33.84 33.79 1s4f n VAL 440 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1s4f s ALA 441 N -2.82 -0.74 -0.05 2.33 0.00 -0.43 -4.28 121.76 115.76 1s4f s ALA 441 Ca -0.00 -0.27 0.05 0.00 0.00 0.00 0.00 51.96 51.74 1s4f s ALA 441 Cb 0.11 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.98 1s4f s ALA 441 CO 0.67 -0.68 -0.20 1.03 0.00 0.00 0.00 175.76 176.57 1s4f s ARG 442 N -3.85 2.11 0.01 0.00 1.81 -0.18 -4.27 118.95 114.58 1s4f s ARG 442 Ca 0.07 -0.73 0.07 0.00 -1.72 0.00 0.00 55.73 53.42 1s4f s ARG 442 Cb 0.01 -1.81 -0.03 0.00 -0.45 0.00 0.00 34.95 32.68 1s4f s ARG 442 CO -0.07 0.30 -0.22 -1.50 -0.68 0.00 0.00 175.30 173.12 1s4f s ILE 443 N -0.04 2.41 -0.05 1.52 2.07 -1.26 0.11 121.20 125.96 1s4f s ILE 443 Ca -0.04 -1.15 0.02 0.00 -1.41 0.00 0.00 60.65 58.07 1s4f s ILE 443 Cb -0.12 -1.93 0.02 0.00 0.13 0.00 0.00 42.46 40.55 1s4f s ILE 443 CO 0.03 0.46 -0.08 -1.00 -1.91 0.00 0.00 174.94 172.44 1s4f s HIS 444 N -0.76 1.02 0.03 3.50 3.76 0.45 -4.04 115.29 119.25 1s4f s HIS 444 Ca 0.12 -0.32 0.00 0.00 -0.15 0.00 0.00 55.06 54.71 1s4f s HIS 444 Cb -0.10 -0.80 -0.02 0.00 1.11 0.00 0.00 32.58 32.77 1s4f s HIS 444 CO 0.02 -0.20 -0.04 0.54 -0.85 0.00 0.00 174.74 174.21 1s4f s VAL 445 N 0.67 0.19 -0.34 -0.90 0.11 0.12 -0.77 120.40 119.49 1s4f s VAL 445 Ca -0.11 -1.12 0.03 0.00 -2.93 0.00 0.00 61.98 57.84 1s4f s VAL 445 Cb -0.14 -0.57 0.16 0.00 -1.53 0.00 0.00 36.38 34.30 1s4f s VAL 445 CO 0.02 -0.59 0.39 0.00 -3.33 0.00 0.00 175.10 171.59 1s4f n GLY 447 N 4.70 1.49 0.09 0.00 0.00 -1.26 -1.68 105.19 108.54 1s4f n GLY 447 Ca 0.06 -0.64 0.11 0.00 0.00 0.00 0.00 46.02 45.56 1s4f n GLY 447 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s4f n ASP 448 N 0.57 0.53 -4.80 1.61 5.75 -1.26 -4.21 116.55 114.73 1s4f n ASP 448 Ca 0.00 0.60 -0.36 0.00 -0.01 0.00 0.00 54.79 55.02 1s4f n ASP 448 Cb 0.00 -0.72 -0.06 0.00 -1.03 0.00 0.00 41.12 39.30 1s4f n ASP 448 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1s4f s ASP 449 N -3.98 7.18 0.00 -1.12 -1.08 -0.67 -4.76 116.67 112.22 1s4f s ASP 449 Ca 0.07 1.67 0.00 0.00 -0.52 0.00 0.00 52.55 53.76 1s4f s ASP 449 Cb 0.11 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 1s4f s ASP 449 CO 0.42 -0.08 0.00 0.61 0.52 0.00 0.00 175.17 176.64 1s4f n GLY 450 N 0.41 1.77 3.49 2.66 0.00 -1.26 0.18 105.19 112.44 1s4f n GLY 450 Ca 0.01 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 1s4f n GLY 450 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s4f s PHE 451 N -2.00 0.94 -0.04 1.61 -0.71 0.05 0.71 117.98 118.54 1s4f s PHE 451 Ca 0.00 -1.19 -0.03 0.00 -1.04 0.00 0.00 56.93 54.67 1s4f s PHE 451 Cb 0.00 -0.06 0.01 0.00 -1.21 0.00 0.00 43.02 41.76 1s4f s PHE 451 CO 0.00 -1.08 0.10 -0.48 -1.34 0.00 0.00 175.22 172.41 1s4f s LEU 452 N -3.19 1.52 -0.02 -1.99 2.34 -0.32 -0.41 118.68 116.61 1s4f s LEU 452 Ca 0.29 0.19 -0.07 0.00 0.06 0.00 0.00 54.13 54.60 1s4f s LEU 452 Cb 0.00 0.30 -0.05 0.00 -0.56 0.00 0.00 46.19 45.89 1s4f s LEU 452 CO 0.18 -0.05 0.26 -0.63 -1.06 0.00 0.00 176.35 175.04 1s4f s ILE 453 N 0.22 5.32 0.07 1.48 1.01 0.30 -0.97 121.20 128.63 1s4f s ILE 453 Ca -0.01 0.23 -0.27 0.00 0.00 0.00 0.00 60.65 60.59 1s4f s ILE 453 Cb -0.02 -3.55 0.09 0.00 0.01 0.00 0.00 42.46 38.99 1s4f s ILE 453 CO -0.01 0.43 1.07 0.28 0.00 0.00 0.00 174.94 176.71 1s4f s THR 454 N -1.23 0.00 0.37 2.92 -1.32 -0.49 -1.01 115.64 114.88 1s4f s THR 454 Ca 0.25 -0.44 -0.28 0.00 -1.21 0.00 0.00 61.69 60.01 1s4f s THR 454 Cb -0.13 -1.86 -0.11 0.00 -1.51 0.00 0.00 72.50 68.89 1s4f s THR 454 CO 0.14 0.00 1.44 -1.61 -2.21 0.00 0.00 174.62 172.38 1s4f s GLU 455 N -2.97 4.13 0.10 7.08 0.41 -1.26 -1.56 118.70 124.63 1s4f s GLU 455 Ca 0.12 2.48 -0.20 0.00 -0.41 0.00 0.00 54.97 56.96 1s4f s GLU 455 Cb 0.01 -2.96 -0.04 0.00 -1.78 0.00 0.00 34.13 29.35 1s4f s GLU 455 CO -0.01 -0.48 1.05 1.17 -0.49 0.00 0.00 175.26 176.50 1s4f n LYS 456 N 0.48 -0.28 -0.08 1.61 4.81 0.46 -1.29 118.16 123.87 1s4f n LYS 456 Ca 0.01 1.03 -0.12 0.00 -0.87 0.00 0.00 58.31 58.36 1s4f n LYS 456 Cb 0.40 -1.51 -0.08 0.00 0.02 0.00 0.00 35.03 33.85 1s4f n LYS 456 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1s4f h GLY 457 N 0.00 -1.18 0.78 3.14 0.00 -1.90 -0.60 103.07 103.32 1s4f h GLY 457 Ca 0.10 0.72 0.05 0.00 0.00 0.00 0.00 47.33 48.20 1s4f h GLY 457 CO -0.60 -0.24 0.48 1.41 0.00 0.00 0.00 176.54 177.59 1s4f h LEU 458 N -0.37 0.76 -0.48 3.11 3.38 -1.75 -2.37 115.31 117.59 1s4f h LEU 458 Ca 0.05 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1s4f h LEU 458 Cb 0.51 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1s4f h LEU 458 CO -0.46 0.50 0.29 1.23 0.09 0.00 0.00 178.44 180.10 1s4f h GLY 459 N 0.90 0.70 2.00 0.83 0.00 -0.48 -0.53 103.07 106.49 1s4f h GLY 459 Ca 0.33 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 1s4f h GLY 459 CO -0.15 0.28 -0.33 1.41 0.00 0.00 0.00 176.54 177.75 1s4f h LEU 460 N 0.64 0.00 0.05 3.11 -0.00 -1.01 0.16 115.31 118.26 1s4f h LEU 460 Ca 0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.05 1s4f h LEU 460 Cb -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1s4f h LEU 460 CO -0.03 0.33 -0.02 0.50 -0.00 0.00 0.00 178.44 179.22 1s4f h LYS 461 N 0.00 -0.06 -0.86 1.13 3.64 -0.92 -1.79 116.57 117.72 1s4f h LYS 461 Ca -0.00 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 1s4f h LYS 461 Cb 0.78 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.54 1s4f h LYS 461 CO 0.04 0.40 0.50 0.35 -2.27 0.00 0.00 179.45 178.47 1s4f h PHE 462 N -0.54 0.90 -0.20 1.91 3.57 -0.76 -0.90 116.94 120.92 1s4f h PHE 462 Ca -0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1s4f h PHE 462 Cb 0.49 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1s4f h PHE 462 CO 0.08 0.36 0.06 0.00 -2.23 0.00 0.00 178.31 176.59 1s4f h ALA 463 N 1.47 1.74 0.00 2.41 0.00 -0.46 0.36 119.26 124.79 1s4f h ALA 463 Ca 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1s4f h ALA 463 Cb 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1s4f h ALA 463 CO -0.26 0.21 -0.28 -0.91 0.00 0.00 0.00 179.25 178.01 1s4f h ASN 464 N 0.27 0.00 0.63 0.00 2.35 -0.30 -2.22 115.58 116.32 1s4f h ASN 464 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1s4f h ASN 464 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1s4f h ASN 464 CO -0.01 0.51 0.00 0.29 -1.65 0.00 0.00 177.43 176.57 1s4f n LYS 465 N -4.00 0.19 0.13 0.81 5.02 -0.78 -3.78 118.16 115.76 1s4f n LYS 465 Ca -0.04 0.46 -0.14 0.00 -2.02 0.00 0.00 58.31 56.57 1s4f n LYS 465 Cb 0.15 -1.90 -0.06 0.00 -0.02 0.00 0.00 35.03 33.19 1s4f n LYS 465 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1s4f h GLY 466 N 1.93 -0.68 -0.59 0.72 0.00 -1.07 -2.71 103.07 100.67 1s4f h GLY 466 Ca 0.00 0.40 0.06 0.00 0.00 0.00 0.00 47.33 47.79 1s4f h GLY 466 CO 0.00 -0.26 -0.46 -0.33 0.00 0.00 0.00 176.54 175.49 1s4f h MET 467 N -0.59 -0.14 -0.82 4.80 2.86 -1.78 0.23 114.93 119.49 1s4f h MET 467 Ca 0.02 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1s4f h MET 467 Cb 0.60 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.26 1s4f h MET 467 CO -0.17 -0.09 0.43 0.37 1.06 0.00 0.00 176.91 178.50 1s4f h GLN 468 N -0.14 1.16 0.18 1.72 4.15 -1.81 0.31 115.11 120.68 1s4f h GLN 468 Ca 0.10 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 1s4f h GLN 468 Cb 0.40 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.87 1s4f h GLN 468 CO -0.63 0.87 -0.09 0.82 -1.93 0.00 0.00 178.83 177.87 1s4f h ILE 469 N 1.16 0.91 -0.77 2.39 2.04 -1.06 -2.30 117.51 119.89 1s4f h ILE 469 Ca 0.29 -0.45 0.11 0.00 1.00 0.00 0.00 64.86 65.81 1s4f h ILE 469 Cb 0.06 1.18 -0.08 0.00 -0.74 0.00 0.00 36.82 37.24 1s4f h ILE 469 CO -0.04 0.10 0.38 -0.07 0.00 0.00 0.00 178.15 178.52 1s4f h LEU 470 N -0.46 0.48 -0.97 1.44 3.38 -0.23 -1.78 115.31 117.17 1s4f h LEU 470 Ca -0.02 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.12 1s4f h LEU 470 Cb 0.36 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 1s4f h LEU 470 CO 0.04 0.25 0.61 -0.74 0.09 0.00 0.00 178.44 178.69 1s4f h HIS 471 N 0.61 1.12 -0.04 1.13 2.76 -0.05 0.86 115.15 121.54 1s4f h HIS 471 Ca 0.39 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.59 1s4f h HIS 471 Cb 0.47 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 29.07 1s4f h HIS 471 CO -0.10 0.49 0.00 -0.85 -1.30 0.00 0.00 177.93 176.17 1s4f n GLU 472 N -4.60 1.58 0.01 5.26 0.28 -0.73 -3.07 120.64 119.37 1s4f n GLU 472 Ca 0.17 -0.85 0.12 0.00 -0.16 0.00 0.00 57.16 56.44 1s4f n GLU 472 Cb 0.29 -1.46 0.22 0.00 1.43 0.00 0.00 31.44 31.92 1s4f n GLU 472 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1s4f n ALA 473 N 0.04 3.52 -0.11 -1.84 0.00 0.27 -1.28 120.51 121.11 1s4f n ALA 473 Ca 0.19 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1s4f n ALA 473 Cb 0.32 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1s4f n ALA 473 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4f n GLY 474 N 1.48 0.80 2.71 0.00 0.00 -1.02 -4.86 105.19 104.30 1s4f n GLY 474 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1s4f n GLY 474 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4f s LYS 475 N -0.89 1.56 0.31 1.61 -0.14 -1.08 -4.77 119.74 116.34 1s4f s LYS 475 Ca 0.00 -2.41 -0.29 0.00 -1.36 0.00 0.00 55.97 51.91 1s4f s LYS 475 Cb 0.00 -2.49 -0.10 0.00 -1.68 0.00 0.00 37.83 33.55 1s4f s LYS 475 CO 0.00 -1.24 1.37 -2.14 -0.76 0.00 0.00 175.35 172.59 1s4f s PRO 476 N -0.22 4.29 -0.11 -1.68 0.02 -1.26 -4.13 135.00 131.91 1s4f s PRO 476 Ca 0.23 2.29 -0.06 0.00 0.02 0.00 0.00 61.00 63.47 1s4f s PRO 476 Cb -0.14 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.27 1s4f s PRO 476 CO -0.08 -0.31 0.13 -0.65 -0.33 0.00 0.00 177.00 175.76 1s4f s GLN 477 N -1.38 3.41 0.08 5.54 -1.52 -1.26 0.15 119.66 124.68 1s4f s GLN 477 Ca 0.53 -0.16 -0.32 0.00 -1.95 0.00 0.00 55.36 53.46 1s4f s GLN 477 Cb -0.41 -3.16 -0.11 0.00 -0.22 0.00 0.00 33.01 29.11 1s4f s GLN 477 CO 0.51 0.77 1.85 1.63 -0.25 0.00 0.00 175.29 179.80 1s4f n LYS 478 N 1.92 2.66 -1.75 2.91 5.02 -0.54 -4.80 118.16 123.58 1s4f n LYS 478 Ca -0.19 0.97 -0.42 0.00 -2.02 0.00 0.00 58.31 56.64 1s4f n LYS 478 Cb 0.55 -2.85 -0.03 0.00 -0.02 0.00 0.00 35.03 32.67 1s4f n LYS 478 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1s4f s ILE 479 N 3.08 2.58 -0.07 -0.18 1.09 -1.26 -4.93 121.20 121.50 1s4f s ILE 479 Ca 0.85 0.11 -0.02 0.00 -1.10 0.00 0.00 60.65 60.49 1s4f s ILE 479 Cb -0.52 -3.07 -0.04 0.00 -1.06 0.00 0.00 42.46 37.77 1s4f s ILE 479 CO 0.40 0.00 -0.09 0.41 -0.10 0.00 0.00 174.94 175.57 1s4f n THR 480 N 4.69 0.41 0.00 2.92 -1.04 -1.26 -5.08 114.28 114.92 1s4f n THR 480 Ca 0.17 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1s4f n THR 480 Cb 0.38 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.56 1s4f n THR 480 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1s4f n GLU 481 N -3.14 0.00 -2.52 -2.82 2.13 -1.26 -4.95 120.64 108.07 1s4f n GLU 481 Ca -0.14 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.30 1s4f n GLU 481 Cb 0.61 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.34 1s4f n GLU 481 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1s4f n GLY 482 N 0.00 5.93 0.00 8.31 0.00 -1.26 -4.94 105.19 113.23 1s4f n GLY 482 Ca 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 46.02 43.42 1s4f n GLY 482 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1s4f n GLU 483 N -0.21 0.00 -3.60 1.61 0.00 -1.26 -4.69 120.64 112.49 1s4f n GLU 483 Ca 0.46 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.58 1s4f n GLU 483 Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.72 1s4f n GLU 483 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 1s4f s LYS 484 N 0.00 0.62 0.49 3.44 -2.85 -1.26 -4.95 119.74 115.22 1s4f s LYS 484 Ca 0.00 -0.28 -0.23 0.00 -1.00 0.00 0.00 55.97 54.45 1s4f s LYS 484 Cb 0.00 0.25 -0.07 0.00 -2.06 0.00 0.00 37.83 35.95 1s4f s LYS 484 CO 0.00 -0.28 1.35 -1.64 0.10 0.00 0.00 175.35 174.88 1s4f s MET 485 N -2.75 3.49 0.14 1.78 -1.94 -0.83 -4.91 119.30 114.27 1s4f s MET 485 Ca 0.10 2.22 -0.31 0.00 -1.71 0.00 0.00 55.69 55.99 1s4f s MET 485 Cb 0.00 -2.46 -0.10 0.00 2.01 0.00 0.00 34.83 34.28 1s4f s MET 485 CO -0.04 -0.91 1.62 0.21 -0.01 0.00 0.00 175.02 175.89 1s4f s LYS 486 N -2.66 4.20 -0.11 2.03 2.20 -1.26 -4.90 119.74 119.24 1s4f s LYS 486 Ca 0.65 2.39 0.01 0.00 -0.36 0.00 0.00 55.97 58.67 1s4f s LYS 486 Cb -0.40 -3.29 -0.01 0.00 -1.51 0.00 0.00 37.83 32.62 1s4f s LYS 486 CO 0.49 -0.67 -0.17 0.08 -0.36 0.00 0.00 175.35 174.73 1s4f s VAL 487 N 1.63 2.74 -0.21 4.02 1.01 -1.26 -1.45 120.40 126.88 1s4f s VAL 487 Ca 0.72 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.83 1s4f s VAL 487 Cb -0.43 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1s4f s VAL 487 CO 0.32 0.54 0.10 0.00 0.00 0.00 0.00 175.10 176.06 1s4f s ALA 488 N 0.26 3.49 -0.56 5.51 0.00 0.26 -4.93 121.76 125.79 1s4f s ALA 488 Ca -0.12 -0.81 0.20 0.00 0.00 0.00 0.00 51.96 51.23 1s4f s ALA 488 Cb -0.16 -2.10 -0.25 0.00 0.00 0.00 0.00 23.12 20.61 1s4f s ALA 488 CO 0.06 0.00 0.67 0.66 0.00 0.00 0.00 175.76 177.15 1s4f n TYR 489 N 3.89 0.00 -4.69 0.00 4.02 -1.26 -1.06 117.16 118.05 1s4f n TYR 489 Ca -0.16 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.43 1s4f n TYR 489 Cb 0.52 -0.18 -0.17 0.00 -0.02 0.00 0.00 39.34 39.49 1s4f n TYR 489 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1s4f s ARG 490 N -3.05 2.52 0.30 -0.72 0.52 -1.26 -4.84 118.95 112.41 1s4f s ARG 490 Ca 0.02 -0.68 0.05 0.00 -0.52 0.00 0.00 55.73 54.59 1s4f s ARG 490 Cb 0.14 -2.05 0.75 0.00 0.52 0.00 0.00 34.95 34.32 1s4f s ARG 490 CO 0.81 0.01 1.70 0.35 0.02 0.00 0.00 175.30 178.19 1s4f h PHE 491 N 7.19 0.70 0.00 -0.53 3.04 -1.97 0.80 116.94 126.17 1s4f h PHE 491 Ca -0.29 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.70 1s4f h PHE 491 Cb 1.19 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 39.54 1s4f h PHE 491 CO 0.48 -0.04 0.09 0.93 -2.02 0.00 0.00 178.31 177.75 1s4f h GLU 492 N 0.42 0.00 -0.02 1.11 3.07 -1.94 -0.78 114.58 116.43 1s4f h GLU 492 Ca 0.57 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.43 1s4f h GLU 492 Cb 1.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 1s4f h GLU 492 CO -0.52 0.00 -0.11 -0.25 -1.40 0.00 0.00 179.01 176.72 1s4f n ASP 493 N -2.26 2.51 -4.73 1.42 8.00 0.28 -4.43 116.55 117.34 1s4f n ASP 493 Ca -0.01 -1.78 -0.42 0.00 0.71 0.00 0.00 54.79 53.29 1s4f n ASP 493 Cb 0.12 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.31 1s4f n ASP 493 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1s4f s ILE 494 N -2.12 2.69 -0.14 0.53 1.01 -0.30 -4.94 121.20 117.93 1s4f s ILE 494 Ca 0.27 0.55 -0.01 0.00 0.00 0.00 0.00 60.65 61.45 1s4f s ILE 494 Cb 0.20 -3.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 1s4f s ILE 494 CO 0.37 0.07 -0.10 -0.70 0.00 0.00 0.00 174.94 174.58 1s4f s GLU 495 N 0.22 3.48 -0.18 2.79 2.12 -1.26 -4.07 118.70 121.80 1s4f s GLU 495 Ca 0.63 -0.63 -0.20 0.00 0.36 0.00 0.00 54.97 55.13 1s4f s GLU 495 Cb -0.42 -2.74 0.05 0.00 0.26 0.00 0.00 34.13 31.29 1s4f s GLU 495 CO 0.38 0.21 0.56 0.12 -0.54 0.00 0.00 175.26 175.99 1s4f s PHE 496 N 0.38 -0.59 -1.33 5.30 5.36 0.25 -4.87 117.98 122.48 1s4f s PHE 496 Ca -0.08 1.40 -0.15 0.00 -0.96 0.00 0.00 56.93 57.13 1s4f s PHE 496 Cb -0.15 0.22 0.14 0.00 -0.34 0.00 0.00 43.02 42.89 1s4f s PHE 496 CO 0.05 -0.33 0.47 0.00 -1.46 0.00 0.00 175.22 173.95 1s4f n SER 498 N -2.24 -3.35 -3.96 0.00 7.64 -1.26 -5.02 113.62 105.43 1s4f n SER 498 Ca 0.06 0.07 -0.13 0.00 1.01 0.00 0.00 58.87 59.88 1s4f n SER 498 Cb 0.48 -1.10 -0.08 0.00 -1.01 0.00 0.00 64.21 62.50 1s4f n SER 498 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1s4f s HIS 499 N -2.10 1.11 0.13 1.43 3.76 0.21 -4.79 115.29 115.03 1s4f s HIS 499 Ca 0.00 -1.30 -0.01 0.00 -0.15 0.00 0.00 55.06 53.60 1s4f s HIS 499 Cb 0.00 -0.42 -0.04 0.00 1.11 0.00 0.00 32.58 33.23 1s4f s HIS 499 CO 0.00 -0.78 0.05 0.95 -0.85 0.00 0.00 174.74 174.11 1s4f s THR 500 N -3.94 0.11 0.60 1.30 -4.23 -1.18 0.85 115.64 109.16 1s4f s THR 500 Ca 0.36 -1.91 -0.14 0.00 -1.18 0.00 0.00 61.69 58.82 1s4f s THR 500 Cb 0.04 -2.02 -0.04 0.00 1.34 0.00 0.00 72.50 71.83 1s4f s THR 500 CO 0.15 -0.49 1.03 -2.16 -0.54 0.00 0.00 174.62 172.61 1s4f s PRO 501 N -4.04 3.43 -0.08 3.99 0.04 -1.26 -1.05 135.00 136.03 1s4f s PRO 501 Ca 0.23 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1s4f s PRO 501 Cb 0.07 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.58 1s4f s PRO 501 CO 0.01 -0.70 -0.07 0.08 0.04 0.00 0.00 177.00 176.36 1s4f s VAL 502 N -2.76 0.86 0.25 -0.36 1.01 -0.24 -4.73 120.40 114.42 1s4f s VAL 502 Ca 0.60 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.04 1s4f s VAL 502 Cb -0.13 -0.87 -0.09 0.00 0.00 0.00 0.00 36.38 35.28 1s4f s VAL 502 CO 0.43 0.32 1.30 -2.84 0.00 0.00 0.00 175.10 174.31 1s4f s PRO 503 N 1.34 4.39 -0.23 2.72 0.02 -1.26 -1.12 135.00 140.86 1s4f s PRO 503 Ca -0.03 2.10 -0.03 0.00 0.02 0.00 0.00 61.00 63.06 1s4f s PRO 503 Cb -0.14 -3.15 0.11 0.00 0.02 0.00 0.00 34.50 31.34 1s4f s PRO 503 CO -0.03 -0.21 0.24 0.08 -0.33 0.00 0.00 177.00 176.75 1s4f s VAL 504 N -0.37 -0.34 0.21 3.83 1.01 -0.69 -0.96 120.40 123.09 1s4f s VAL 504 Ca 0.54 -0.25 -0.24 0.00 0.00 0.00 0.00 61.98 62.03 1s4f s VAL 504 Cb -0.37 -0.78 -0.08 0.00 0.00 0.00 0.00 36.38 35.14 1s4f s VAL 504 CO 0.43 -0.30 0.80 -0.60 0.00 0.00 0.00 175.10 175.43 1s4f s ARG 505 N 2.33 4.49 0.39 2.72 3.52 0.47 -2.37 118.95 130.51 1s4f s ARG 505 Ca 0.08 1.12 0.08 0.00 -0.13 0.00 0.00 55.73 56.87 1s4f s ARG 505 Cb -0.15 -3.07 -0.02 0.00 -1.56 0.00 0.00 34.95 30.14 1s4f s ARG 505 CO -0.19 0.47 0.37 -1.58 -0.81 0.00 0.00 175.30 173.56 1s4f s TRP 506 N -1.34 2.79 0.15 5.12 0.52 0.24 -1.95 118.94 124.47 1s4f s TRP 506 Ca 0.41 -0.42 -0.27 0.00 0.02 0.00 0.00 56.10 55.83 1s4f s TRP 506 Cb -0.21 -2.07 -0.02 0.00 -1.15 0.00 0.00 33.47 30.03 1s4f s TRP 506 CO 0.25 -0.05 1.58 0.77 0.02 0.00 0.00 176.95 179.51 1s4f h SER 507 N 1.06 -1.38 0.00 2.95 0.02 -1.35 -1.03 113.55 113.81 1s4f h SER 507 Ca -0.42 0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1s4f h SER 507 Cb 1.26 0.59 -0.00 0.00 0.14 0.00 0.00 62.40 64.40 1s4f h SER 507 CO 0.57 -0.38 -0.00 -0.90 -1.14 0.00 0.00 176.83 174.97 1s4f n ASP 508 N -5.42 3.01 -0.14 3.07 3.85 -1.26 -4.70 116.55 114.95 1s4f n ASP 508 Ca -0.02 -1.81 -0.01 0.00 -0.71 0.00 0.00 54.79 52.25 1s4f n ASP 508 Cb 0.35 -0.65 -0.00 0.00 -1.35 0.00 0.00 41.12 39.47 1s4f n ASP 508 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1s4f n ASN 509 N 1.77 -1.76 -4.88 -1.12 3.02 -0.39 -4.90 115.26 107.01 1s4f n ASN 509 Ca 0.01 0.02 -0.30 0.00 -0.03 0.00 0.00 54.58 54.28 1s4f n ASN 509 Cb 0.29 -1.44 -0.00 0.00 -0.61 0.00 0.00 39.78 38.02 1s4f n ASN 509 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1s4f s THR 510 N -0.44 4.75 0.43 3.41 -4.23 -1.25 -4.76 115.64 113.55 1s4f s THR 510 Ca 0.00 0.71 0.03 0.00 -1.18 0.00 0.00 61.69 61.25 1s4f s THR 510 Cb 0.00 -3.83 -0.02 0.00 1.34 0.00 0.00 72.50 69.99 1s4f s THR 510 CO 0.00 -0.92 0.09 -0.44 -0.54 0.00 0.00 174.62 172.82 1s4f s SER 511 N -3.86 3.15 -0.09 3.99 0.01 -1.26 0.82 113.70 116.45 1s4f s SER 511 Ca 0.53 -1.66 -0.28 0.00 1.31 0.00 0.00 55.95 55.85 1s4f s SER 511 Cb -0.11 0.49 0.09 0.00 0.21 0.00 0.00 66.02 66.71 1s4f s SER 511 CO 0.45 -0.90 1.24 -1.54 0.41 0.00 0.00 173.24 172.90 1s4f n SER 512 N -1.29 -0.90 -4.05 2.44 3.41 -1.00 -4.94 113.62 107.29 1s4f n SER 512 Ca -0.09 -1.00 -0.22 0.00 -0.26 0.00 0.00 58.87 57.29 1s4f n SER 512 Cb 0.65 1.35 -0.16 0.00 -0.26 0.00 0.00 64.21 65.80 1s4f n SER 512 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1s4f s HIS 513 N -2.00 1.21 0.40 7.33 3.76 -1.26 -1.70 115.29 123.03 1s4f s HIS 513 Ca 0.30 -0.31 0.08 0.00 -0.15 0.00 0.00 55.06 54.98 1s4f s HIS 513 Cb -0.00 -0.83 -0.03 0.00 1.11 0.00 0.00 32.58 32.84 1s4f s HIS 513 CO -0.03 -0.11 0.34 -1.64 -0.85 0.00 0.00 174.74 172.46 1s4f s MET 514 N 0.07 2.53 -0.11 1.40 -1.94 -0.27 -4.38 119.30 116.59 1s4f s MET 514 Ca -0.02 -1.53 -0.25 0.00 -1.71 0.00 0.00 55.69 52.18 1s4f s MET 514 Cb -0.09 -2.35 -0.02 0.00 2.01 0.00 0.00 34.83 34.38 1s4f s MET 514 CO 0.01 -0.13 0.81 0.00 -0.01 0.00 0.00 175.02 175.70 1s4f s ALA 515 N -2.46 3.40 0.45 3.03 0.00 -1.25 -1.08 121.76 123.85 1s4f s ALA 515 Ca 0.46 0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.63 1s4f s ALA 515 Cb -0.03 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 1s4f s ALA 515 CO 0.27 -0.41 0.21 0.20 0.00 0.00 0.00 175.76 176.03 1s4f s GLY 516 N 1.02 2.42 0.04 0.00 0.00 -0.21 -4.81 107.32 105.78 1s4f s GLY 516 Ca 0.40 -1.73 -0.29 0.00 0.00 0.00 0.00 44.72 43.11 1s4f s GLY 516 CO 0.17 -1.95 1.16 -1.60 0.00 0.00 0.00 173.10 170.88 1s4f s ARG 517 N -3.98 0.69 0.06 2.90 3.52 -1.26 -3.12 118.95 117.76 1s4f s ARG 517 Ca 0.36 -0.38 -0.31 0.00 -0.13 0.00 0.00 55.73 55.27 1s4f s ARG 517 Cb 0.02 0.24 -0.08 0.00 -1.56 0.00 0.00 34.95 33.57 1s4f s ARG 517 CO 0.20 -0.32 1.59 -0.51 -0.81 0.00 0.00 175.30 175.45 1s4f s ASP 518 N -2.93 6.66 0.22 -2.12 -0.00 -1.26 -4.88 116.67 112.36 1s4f s ASP 518 Ca 0.13 2.42 -0.09 0.00 -0.00 0.00 0.00 52.55 55.00 1s4f s ASP 518 Cb 0.02 -2.57 0.33 0.00 -0.00 0.00 0.00 42.92 40.71 1s4f s ASP 518 CO -0.02 -0.84 1.68 0.74 -0.00 0.00 0.00 175.17 176.73 1s4f h THR 519 N 4.75 0.54 -0.89 -1.27 2.02 -1.62 0.23 112.91 116.68 1s4f h THR 519 Ca -0.42 -0.06 0.24 0.00 0.77 0.00 0.00 66.41 66.94 1s4f h THR 519 Cb 1.20 0.34 -0.14 0.00 -1.74 0.00 0.00 68.15 67.80 1s4f h THR 519 CO 0.92 0.03 0.28 0.00 0.37 0.00 0.00 175.52 177.13 1s4f h ALA 520 N 1.55 1.34 -0.16 6.16 0.00 -1.90 0.41 119.26 126.65 1s4f h ALA 520 Ca 0.34 0.21 -0.21 0.00 0.00 0.00 0.00 54.91 55.25 1s4f h ALA 520 Cb 0.55 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1s4f h ALA 520 CO -0.49 -0.46 -0.72 0.28 0.00 0.00 0.00 179.25 177.87 1s4f h VAL 521 N 0.24 1.30 -0.25 0.00 2.07 -1.00 0.21 116.25 118.82 1s4f h VAL 521 Ca 0.56 -1.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 1s4f h VAL 521 Cb 1.14 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 1s4f h VAL 521 CO -0.63 0.62 0.10 0.40 0.02 0.00 0.00 177.57 178.08 1s4f h ILE 522 N 0.50 1.17 -0.54 4.57 2.04 0.92 0.43 117.51 126.60 1s4f h ILE 522 Ca -0.03 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1s4f h ILE 522 Cb 1.33 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 1s4f h ILE 522 CO 0.14 0.17 0.30 -0.07 0.00 0.00 0.00 178.15 178.70 1s4f h LEU 523 N 0.26 0.66 -1.34 1.44 3.38 -0.32 0.99 115.31 120.39 1s4f h LEU 523 Ca 0.09 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1s4f h LEU 523 Cb 0.18 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1s4f h LEU 523 CO -0.01 0.56 0.48 0.28 0.09 0.00 0.00 178.44 179.84 1s4f h SER 524 N 0.72 0.72 0.70 -0.43 0.02 -0.04 -1.29 113.55 113.95 1s4f h SER 524 Ca 0.19 -0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.88 1s4f h SER 524 Cb 0.03 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1s4f h SER 524 CO -0.03 0.48 -1.25 0.11 -1.14 0.00 0.00 176.83 175.00 1s4f h LYS 525 N 0.83 0.18 -0.61 3.45 1.57 -0.45 -3.11 116.57 118.43 1s4f h LYS 525 Ca 0.31 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1s4f h LYS 525 Cb 0.16 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1s4f h LYS 525 CO -0.10 1.11 0.32 0.52 -0.57 0.00 0.00 179.45 180.73 1s4f h MET 526 N 0.05 0.86 0.00 3.15 2.86 -0.05 -2.05 114.93 119.75 1s4f h MET 526 Ca -0.12 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.36 1s4f h MET 526 Cb 1.93 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 33.41 1s4f h MET 526 CO 0.17 0.67 -0.60 0.00 1.06 0.00 0.00 176.91 178.22 1s4f h ALA 527 N 1.14 0.74 -0.02 6.32 0.00 -1.39 -3.37 119.26 122.68 1s4f h ALA 527 Ca 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1s4f h ALA 527 Cb 0.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1s4f h ALA 527 CO -0.03 0.27 -0.02 0.25 0.00 0.00 0.00 179.25 179.73 1s4f n THR 528 N -2.98 0.00 -3.16 0.00 -2.24 -1.17 -1.31 114.28 103.43 1s4f n THR 528 Ca 0.00 -0.49 -0.42 0.00 -2.27 0.00 0.00 64.05 60.87 1s4f n THR 528 Cb 0.63 1.41 -0.07 0.00 -2.10 0.00 0.00 70.33 70.19 1s4f n THR 528 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1s4f s ARG 529 N -1.69 3.58 0.36 -0.78 3.52 -0.78 -4.97 118.95 118.20 1s4f s ARG 529 Ca 0.23 -0.11 0.08 0.00 -0.13 0.00 0.00 55.73 55.81 1s4f s ARG 529 Cb 0.17 -3.84 -0.05 0.00 -1.56 0.00 0.00 34.95 29.67 1s4f s ARG 529 CO 0.26 -0.75 0.12 -0.51 -0.81 0.00 0.00 175.30 173.60 1s4f s LEU 530 N 2.61 3.15 -0.57 -0.88 2.01 -1.26 -4.84 118.68 118.90 1s4f s LEU 530 Ca 0.22 -0.90 -0.24 0.00 0.01 0.00 0.00 54.13 53.21 1s4f s LEU 530 Cb -0.15 -1.57 0.04 0.00 0.01 0.00 0.00 46.19 44.53 1s4f s LEU 530 CO 0.15 -0.34 0.98 1.51 1.01 0.00 0.00 176.35 179.66 1s4f s ASP 531 N -3.82 6.32 0.07 2.29 1.47 -1.26 -4.79 116.67 116.95 1s4f s ASP 531 Ca 0.38 -0.39 0.00 0.00 1.18 0.00 0.00 52.55 53.71 1s4f s ASP 531 Cb -0.00 -2.45 -0.26 0.00 -0.34 0.00 0.00 42.92 39.87 1s4f s ASP 531 CO 0.22 -1.30 1.11 0.28 0.68 0.00 0.00 175.17 176.16 1s4f h SER 532 N 9.39 0.27 0.00 2.11 0.02 -1.93 -2.97 113.55 120.43 1s4f h SER 532 Ca -0.26 -0.31 -0.06 0.00 -0.84 0.00 0.00 61.79 60.32 1s4f h SER 532 Cb 1.07 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 1s4f h SER 532 CO 1.11 1.24 -0.06 -1.20 -1.14 0.00 0.00 176.83 176.79 1s4f n SER 533 N -3.44 3.75 0.00 3.07 7.64 -1.26 -4.49 113.62 118.89 1s4f n SER 533 Ca -0.08 -2.09 0.00 0.00 1.01 0.00 0.00 58.87 57.72 1s4f n SER 533 Cb 1.00 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1s4f n SER 533 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s4f n GLY 534 N 2.10 -0.94 3.27 0.23 0.00 -1.16 -5.01 105.19 103.68 1s4f n GLY 534 Ca 0.14 -0.98 0.03 0.00 0.00 0.00 0.00 46.02 45.21 1s4f n GLY 534 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s4f s GLU 535 N -1.17 0.43 0.00 1.61 -6.30 -1.13 -4.88 118.70 107.25 1s4f s GLU 535 Ca 0.00 0.87 0.00 0.00 -2.50 0.00 0.00 54.97 53.34 1s4f s GLU 535 Cb 0.00 0.50 0.00 0.00 0.00 0.00 0.00 34.13 34.63 1s4f s GLU 535 CO 0.00 -0.36 0.00 -2.13 0.02 0.00 0.00 175.26 172.79 1s4f n ARG 536 N 5.37 0.00 -3.60 4.30 3.00 -1.26 -5.10 116.66 119.37 1s4f n ARG 536 Ca -0.06 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.64 1s4f n ARG 536 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.91 1s4f n ARG 536 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1s4f s GLY 537 N 0.00 -0.54 0.05 5.14 0.00 -1.26 -4.44 107.32 106.27 1s4f s GLY 537 Ca 0.00 1.76 0.01 0.00 0.00 0.00 0.00 44.72 46.49 1s4f s GLY 537 CO 0.00 1.46 -0.05 -1.08 0.00 0.00 0.00 173.10 173.43 1s4f s THR 538 N -0.14 0.40 0.58 0.90 -1.32 -1.26 -5.01 115.64 109.79 1s4f s THR 538 Ca -0.04 -1.34 0.28 0.00 -1.21 0.00 0.00 61.69 59.38 1s4f s THR 538 Cb -0.03 -0.90 0.35 0.00 -1.51 0.00 0.00 72.50 70.40 1s4f s THR 538 CO 0.04 -0.62 2.18 0.71 -2.21 0.00 0.00 174.62 174.72 1s4f h THR 539 N 3.98 0.57 -0.38 5.08 1.35 -2.00 0.43 112.91 121.93 1s4f h THR 539 Ca -0.34 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.54 1s4f h THR 539 Cb 1.19 0.94 -0.03 0.00 -1.73 0.00 0.00 68.15 68.51 1s4f h THR 539 CO 0.50 0.00 0.21 0.00 -0.25 0.00 0.00 175.52 175.98 1s4f h ALA 540 N 1.91 0.47 0.67 6.62 0.00 -1.95 0.10 119.26 127.08 1s4f h ALA 540 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1s4f h ALA 540 Cb 0.20 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1s4f h ALA 540 CO -0.00 -0.15 -0.32 -0.92 0.00 0.00 0.00 179.25 177.86 1s4f h TYR 541 N 0.42 -0.83 -0.97 0.00 3.20 -0.54 -1.32 116.97 116.93 1s4f h TYR 541 Ca 0.16 -0.02 0.24 0.00 3.14 0.00 0.00 58.73 62.25 1s4f h TYR 541 Cb 0.04 0.27 -0.13 0.00 1.54 0.00 0.00 36.73 38.46 1s4f h TYR 541 CO -0.09 -0.52 0.53 0.93 -1.64 0.00 0.00 178.16 177.38 1s4f h GLU 542 N -1.05 0.50 -0.48 1.82 5.08 -1.22 0.35 114.58 119.58 1s4f h GLU 542 Ca -0.09 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1s4f h GLU 542 Cb 0.69 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 1s4f h GLU 542 CO 0.15 0.33 0.22 0.87 -1.00 0.00 0.00 179.01 179.58 1s4f h LYS 543 N 0.51 0.41 -0.50 2.33 1.57 -0.77 0.67 116.57 120.80 1s4f h LYS 543 Ca 0.62 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.36 1s4f h LYS 543 Cb 1.20 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 1s4f h LYS 543 CO -0.50 0.27 0.25 0.00 -0.57 0.00 0.00 179.45 178.90 1s4f h ALA 544 N 1.28 0.64 -0.55 3.86 0.00 -0.21 -0.03 119.26 124.25 1s4f h ALA 544 Ca 0.22 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1s4f h ALA 544 Cb 0.16 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1s4f h ALA 544 CO -0.18 0.20 0.27 0.28 0.00 0.00 0.00 179.25 179.82 1s4f h VAL 545 N 0.66 0.93 -0.20 0.00 2.07 0.59 0.13 116.25 120.43 1s4f h VAL 545 Ca 0.17 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1s4f h VAL 545 Cb 0.10 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1s4f h VAL 545 CO -0.02 0.09 0.11 0.00 0.02 0.00 0.00 177.57 177.77 1s4f h ALA 546 N 1.31 0.25 -0.26 1.67 0.00 0.70 -1.39 119.26 121.53 1s4f h ALA 546 Ca 0.25 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1s4f h ALA 546 Cb 0.18 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1s4f h ALA 546 CO -0.18 -0.22 -0.02 0.35 0.00 0.00 0.00 179.25 179.18 1s4f h PHE 547 N 0.22 -0.05 -0.91 0.00 3.57 -0.34 0.52 116.94 119.94 1s4f h PHE 547 Ca 0.07 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.65 1s4f h PHE 547 Cb 0.06 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.80 1s4f h PHE 547 CO -0.04 -0.07 0.58 0.77 -2.23 0.00 0.00 178.31 177.32 1s4f h SER 548 N 0.05 0.91 0.91 0.41 0.02 -0.51 0.04 113.55 115.39 1s4f h SER 548 Ca 0.13 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 1s4f h SER 548 Cb 0.18 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1s4f h SER 548 CO -0.23 0.58 -0.32 -0.26 -1.14 0.00 0.00 176.83 175.46 1s4f h PHE 549 N 1.05 0.00 -0.12 3.45 -1.00 -0.46 -2.80 116.94 117.05 1s4f h PHE 549 Ca 0.40 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.17 1s4f h PHE 549 Cb 0.18 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.73 1s4f h PHE 549 CO -0.02 0.32 0.04 1.25 -1.61 0.00 0.00 178.31 178.29 1s4f h LEU 550 N 0.00 0.17 -1.18 1.54 6.46 0.10 0.81 115.31 123.22 1s4f h LEU 550 Ca -0.00 -0.19 0.02 0.00 -0.12 0.00 0.00 57.88 57.59 1s4f h LEU 550 Cb 0.87 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.71 1s4f h LEU 550 CO 0.04 0.32 0.56 -0.07 -0.62 0.00 0.00 178.44 178.67 1s4f h LEU 551 N 0.02 0.94 0.00 2.25 3.38 -1.28 -1.13 115.31 119.49 1s4f h LEU 551 Ca 0.04 -0.02 -0.23 0.00 0.09 0.00 0.00 57.88 57.76 1s4f h LEU 551 Cb 0.20 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1s4f h LEU 551 CO -0.00 0.67 -1.34 0.24 0.09 0.00 0.00 178.44 178.09 1s4f h MET 552 N 1.10 0.00 0.00 1.13 2.86 -1.27 -3.42 114.93 115.33 1s4f h MET 552 Ca 0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 1s4f h MET 552 Cb -0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1s4f h MET 552 CO -0.08 0.60 -0.25 0.66 1.06 0.00 0.00 176.91 178.90 1s4f n TYR 553 N -3.12 0.00 0.27 -0.22 4.02 0.28 -4.62 117.16 113.77 1s4f n TYR 553 Ca -0.09 -0.45 0.06 0.00 -0.01 0.00 0.00 57.90 57.41 1s4f n TYR 553 Cb 0.95 -0.09 0.33 0.00 -0.02 0.00 0.00 39.34 40.51 1s4f n TYR 553 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1s4f h SER 554 N 0.00 0.00 1.24 7.72 4.64 -1.34 0.45 113.55 126.26 1s4f h SER 554 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1s4f h SER 554 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1s4f h SER 554 CO 0.00 0.00 -0.16 4.11 -0.87 0.00 0.00 176.83 179.91 1s4f h TRP 555 N 0.00 0.00 -3.24 4.77 5.08 -1.88 -3.41 115.95 117.27 1s4f h TRP 555 Ca 0.00 0.00 -0.67 0.00 1.08 0.00 0.00 58.89 59.30 1s4f h TRP 555 Cb 1.22 0.00 -0.17 0.00 -3.00 0.00 0.00 29.16 27.21 1s4f h TRP 555 CO 0.00 0.16 0.12 1.21 -1.28 0.00 0.00 178.44 178.66 1s4f s ASN 556 N -6.10 6.24 0.16 0.11 3.04 0.16 -4.80 114.94 113.75 1s4f s ASN 556 Ca 0.02 -0.84 -0.25 0.00 0.04 0.00 0.00 52.86 51.84 1s4f s ASN 556 Cb 0.08 -2.31 0.04 0.00 -1.54 0.00 0.00 41.25 37.53 1s4f s ASN 556 CO 0.63 -0.94 1.58 -0.65 -3.04 0.00 0.00 177.10 174.68 1s4f h PRO 557 N 9.04 -0.26 -0.06 0.43 0.11 -1.84 0.11 132.00 139.54 1s4f h PRO 557 Ca -0.27 0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.88 1s4f h PRO 557 Cb 1.09 0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.20 1s4f h PRO 557 CO 0.98 -0.17 -0.50 1.25 -0.21 0.00 0.00 178.00 179.35 1s4f h LEU 558 N -0.27 -1.55 0.19 2.35 6.46 -1.96 0.31 115.31 120.85 1s4f h LEU 558 Ca 0.17 0.18 0.01 0.00 -0.12 0.00 0.00 57.88 58.12 1s4f h LEU 558 Cb 0.56 0.60 -0.02 0.00 -0.73 0.00 0.00 40.66 41.07 1s4f h LEU 558 CO -0.59 -0.49 -0.25 0.58 -0.62 0.00 0.00 178.44 177.07 1s4f h VAL 559 N -0.61 0.46 -0.70 1.05 2.07 -1.78 -1.84 116.25 114.90 1s4f h VAL 559 Ca 0.04 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.70 1s4f h VAL 559 Cb 0.69 0.46 -0.13 0.00 -1.52 0.00 0.00 31.29 30.79 1s4f h VAL 559 CO -0.38 0.00 -0.12 -0.09 0.02 0.00 0.00 177.57 177.00 1s4f h ARG 560 N -0.50 0.03 -0.11 1.57 2.43 -0.22 0.33 114.38 117.91 1s4f h ARG 560 Ca 0.01 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 1s4f h ARG 560 Cb 0.49 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1s4f h ARG 560 CO -0.09 0.02 -0.29 0.00 -1.51 0.00 0.00 179.97 178.10 1s4f h ARG 561 N 0.03 0.21 -0.18 0.20 3.08 -0.78 0.39 114.38 117.33 1s4f h ARG 561 Ca 0.35 -0.07 -0.18 0.00 0.07 0.00 0.00 59.98 60.15 1s4f h ARG 561 Cb 0.56 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.60 1s4f h ARG 561 CO -0.69 0.48 -0.60 0.82 -1.07 0.00 0.00 179.97 178.91 1s4f h ILE 562 N 0.18 1.30 -0.17 2.04 2.04 -0.02 -0.76 117.51 122.12 1s4f h ILE 562 Ca 0.03 -1.83 0.00 0.00 1.00 0.00 0.00 64.86 64.06 1s4f h ILE 562 Cb 0.61 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 1s4f h ILE 562 CO 0.04 0.57 0.11 0.00 0.00 0.00 0.00 178.15 178.88 1s4f h LEU 564 N 0.23 -0.29 -1.30 0.00 3.38 -0.88 0.21 115.31 116.66 1s4f h LEU 564 Ca 0.06 0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.24 1s4f h LEU 564 Cb -0.01 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 1s4f h LEU 564 CO -0.01 -0.14 0.58 -0.07 0.09 0.00 0.00 178.44 178.89 1s4f h LEU 565 N -0.14 0.63 0.40 1.67 3.38 -0.86 0.62 115.31 121.01 1s4f h LEU 565 Ca 0.05 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1s4f h LEU 565 Cb 0.22 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1s4f h LEU 565 CO -0.14 0.30 -0.19 0.58 0.09 0.00 0.00 178.44 179.08 1s4f h VAL 566 N 0.65 0.51 -0.72 1.22 2.07 0.45 -3.02 116.25 117.41 1s4f h VAL 566 Ca 0.46 -0.55 0.11 0.00 0.82 0.00 0.00 66.70 67.54 1s4f h VAL 566 Cb 0.81 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 1s4f h VAL 566 CO -0.22 0.09 0.48 -0.07 0.02 0.00 0.00 177.57 177.86 1s4f h LEU 567 N -0.89 0.50 -2.04 2.57 3.38 0.14 -1.12 115.31 117.86 1s4f h LEU 567 Ca -0.05 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1s4f h LEU 567 Cb 0.55 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1s4f h LEU 567 CO 0.09 0.29 0.34 0.28 0.09 0.00 0.00 178.44 179.53 1s4f h SER 568 N 0.55 0.00 -3.83 -0.43 0.02 0.36 -3.43 113.55 106.79 1s4f h SER 568 Ca 0.34 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.80 1s4f h SER 568 Cb 0.56 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.11 1s4f h SER 568 CO -0.12 0.00 0.19 -1.10 -1.14 0.00 0.00 176.83 174.66 1s4f s GLN 569 N -4.25 3.82 -0.37 3.45 -0.21 -0.42 -4.50 119.66 117.17 1s4f s GLN 569 Ca -0.04 0.60 -0.08 0.00 0.02 0.00 0.00 55.36 55.86 1s4f s GLN 569 Cb 0.11 -2.32 0.01 0.00 1.00 0.00 0.00 33.01 31.81 1s4f s GLN 569 CO 0.36 -0.10 0.34 1.04 -2.12 0.00 0.00 175.29 174.80 1s4f n GLN 570 N -1.38 -0.91 0.24 2.91 6.02 -1.26 -4.77 117.38 118.23 1s4f n GLN 570 Ca 0.03 0.54 0.13 0.00 -0.01 0.00 0.00 57.00 57.69 1s4f n GLN 570 Cb 0.54 -1.14 0.50 0.00 1.02 0.00 0.00 30.24 31.15 1s4f n GLN 570 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1s4f h PRO 571 N 0.61 0.00 0.00 -1.09 0.11 -1.84 -2.79 132.00 127.01 1s4f h PRO 571 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1s4f h PRO 571 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1s4f h PRO 571 CO 0.17 0.11 0.00 0.39 -0.21 0.00 0.00 178.00 178.46 1s4f n GLU 572 N -3.22 0.46 -4.37 1.05 1.02 -1.26 -4.65 120.64 109.67 1s4f n GLU 572 Ca 0.01 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.94 1s4f n GLU 572 Cb 0.40 -1.31 -0.16 0.00 -0.02 0.00 0.00 31.44 30.36 1s4f n GLU 572 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1s4f s THR 573 N -2.00 0.79 0.57 2.62 -4.23 -1.05 -5.14 115.64 107.20 1s4f s THR 573 Ca 0.14 -0.32 -0.15 0.00 -1.18 0.00 0.00 61.69 60.17 1s4f s THR 573 Cb 0.06 -0.73 -0.05 0.00 1.34 0.00 0.00 72.50 73.12 1s4f s THR 573 CO 0.11 0.26 1.03 -1.81 -0.54 0.00 0.00 174.62 173.66 1s4f s ASP 574 N 0.46 6.12 1.13 3.99 1.01 -1.26 -5.01 116.67 123.10 1s4f s ASP 574 Ca -0.08 1.68 -0.12 0.00 0.71 0.00 0.00 52.55 54.74 1s4f s ASP 574 Cb -0.11 -2.52 0.26 0.00 1.01 0.00 0.00 42.92 41.56 1s4f s ASP 574 CO 0.01 -0.94 1.04 -2.84 0.21 0.00 0.00 175.17 172.66 1s4f s PRO 575 N -4.20 -0.64 0.17 8.23 0.02 -1.26 -4.79 135.00 132.53 1s4f s PRO 575 Ca 0.61 0.86 -0.08 0.00 0.02 0.00 0.00 61.00 62.41 1s4f s PRO 575 Cb -0.13 -1.58 -0.06 0.00 0.02 0.00 0.00 34.50 32.74 1s4f s PRO 575 CO 0.37 -3.54 0.46 0.45 -0.33 0.00 0.00 177.00 174.41 1s4f s SER 576 N -2.64 6.59 0.00 2.53 0.15 -0.51 -4.94 113.70 114.88 1s4f s SER 576 Ca 0.68 0.79 0.22 0.00 0.70 0.00 0.00 55.95 58.34 1s4f s SER 576 Cb -0.24 -2.17 0.63 0.00 -1.71 0.00 0.00 66.02 62.53 1s4f s SER 576 CO 0.63 0.01 1.53 0.29 1.20 0.00 0.00 173.24 176.91 1s4f n LYS 577 N 0.13 2.67 -0.04 5.44 5.02 -1.26 -4.20 118.16 125.91 1s4f n LYS 577 Ca -0.02 -2.59 0.11 0.00 -2.02 0.00 0.00 58.31 53.79 1s4f n LYS 577 Cb 0.52 -1.56 0.47 0.00 -0.02 0.00 0.00 35.03 34.44 1s4f n LYS 577 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1s4f n HIS 578 N 1.61 0.11 -2.62 2.13 8.25 -1.26 -4.28 115.22 119.17 1s4f n HIS 578 Ca 0.24 -0.06 -0.11 0.00 -0.26 0.00 0.00 57.72 57.54 1s4f n HIS 578 Cb 0.61 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.77 1s4f n HIS 578 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s4f n ALA 579 N -0.11 0.26 -0.02 -1.41 0.00 -1.26 -4.50 120.51 113.47 1s4f n ALA 579 Ca 0.16 -0.97 -0.12 0.00 0.00 0.00 0.00 53.44 52.51 1s4f n ALA 579 Cb 0.23 0.20 -0.07 0.00 0.00 0.00 0.00 19.45 19.81 1s4f n ALA 579 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1s4f h THR 580 N -0.31 1.20 -3.57 0.00 2.02 -1.89 0.57 112.91 110.93 1s4f h THR 580 Ca -0.15 -0.61 -0.49 0.00 0.77 0.00 0.00 66.41 65.93 1s4f h THR 580 Cb 0.59 1.45 -0.13 0.00 -1.74 0.00 0.00 68.15 68.32 1s4f h THR 580 CO 0.18 0.17 -0.53 -0.31 0.37 0.00 0.00 175.52 175.40 1s4f s TYR 581 N -5.25 1.72 -0.19 3.16 1.51 -1.26 -2.10 117.35 114.94 1s4f s TYR 581 Ca -0.14 -1.39 -0.29 0.00 -1.01 0.00 0.00 57.07 54.24 1s4f s TYR 581 Cb 0.05 -0.96 0.13 0.00 -0.11 0.00 0.00 41.96 41.07 1s4f s TYR 581 CO 0.69 -0.49 1.02 1.52 -1.11 0.00 0.00 175.55 177.18 1s4f s TYR 582 N -3.40 -0.37 0.12 2.71 -0.85 -1.08 -4.65 117.35 109.82 1s4f s TYR 582 Ca 0.32 0.71 0.04 0.00 -0.52 0.00 0.00 57.07 57.61 1s4f s TYR 582 Cb 0.03 0.43 -0.04 0.00 0.38 0.00 0.00 41.96 42.77 1s4f s TYR 582 CO 0.18 -0.31 0.10 1.52 -1.52 0.00 0.00 175.55 175.53 1s4f s TYR 583 N -0.83 3.17 -0.18 -3.49 -0.85 -1.26 0.40 117.35 114.32 1s4f s TYR 583 Ca -0.00 0.03 0.01 0.00 -0.52 0.00 0.00 57.07 56.59 1s4f s TYR 583 Cb -0.01 -1.57 0.03 0.00 0.38 0.00 0.00 41.96 40.78 1s4f s TYR 583 CO -0.00 0.52 -0.15 0.21 -1.52 0.00 0.00 175.55 174.61 1s4f s LYS 584 N -2.70 2.44 0.00 -3.49 2.20 -0.37 -4.67 119.74 113.15 1s4f s LYS 584 Ca 0.30 -0.77 0.00 0.00 -0.36 0.00 0.00 55.97 55.14 1s4f s LYS 584 Cb -0.11 -2.38 0.00 0.00 -1.51 0.00 0.00 37.83 33.83 1s4f s LYS 584 CO 0.23 -0.30 0.00 0.41 -0.36 0.00 0.00 175.35 175.32 1s4f n GLY 585 N 4.68 0.75 3.34 5.54 0.00 -1.26 0.24 105.19 118.48 1s4f n GLY 585 Ca -0.17 -1.34 -0.38 0.00 0.00 0.00 0.00 46.02 44.13 1s4f n GLY 585 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s4f s ASP 586 N -4.00 5.36 0.13 1.61 3.68 -1.25 -4.59 116.67 117.61 1s4f s ASP 586 Ca 0.00 -0.89 -0.25 0.00 2.13 0.00 0.00 52.55 53.54 1s4f s ASP 586 Cb 0.00 -1.92 -0.06 0.00 -1.45 0.00 0.00 42.92 39.49 1s4f s ASP 586 CO 0.00 -0.28 1.36 -2.65 0.13 0.00 0.00 175.17 173.73 1s4f n PRO 587 N 4.89 -0.36 0.31 4.34 -0.02 -1.26 0.23 135.00 143.13 1s4f n PRO 587 Ca -0.13 1.33 0.18 0.00 -2.02 0.00 0.00 63.50 62.86 1s4f n PRO 587 Cb 0.47 -1.96 0.91 0.00 -0.02 0.00 0.00 33.50 32.89 1s4f n PRO 587 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1s4f h ILE 588 N 0.00 0.07 0.00 4.25 1.08 -1.95 -1.68 117.51 119.28 1s4f h ILE 588 Ca 0.13 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.60 1s4f h ILE 588 Cb 0.33 0.76 0.00 0.00 -3.07 0.00 0.00 36.82 34.84 1s4f h ILE 588 CO -0.76 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 177.31 1s4f n GLY 589 N -1.22 -1.22 0.26 5.37 0.00 0.61 -3.80 105.19 105.20 1s4f n GLY 589 Ca -0.01 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.22 1s4f n GLY 589 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s4f n ALA 590 N -1.63 0.69 -0.17 4.61 0.00 -0.70 0.43 120.51 123.74 1s4f n ALA 590 Ca 0.00 0.82 0.29 0.00 0.00 0.00 0.00 53.44 54.55 1s4f n ALA 590 Cb 0.00 -0.75 0.72 0.00 0.00 0.00 0.00 19.45 19.42 1s4f n ALA 590 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1s4f h TYR 591 N 0.00 0.00 0.00 0.00 3.20 -1.46 1.13 116.97 119.83 1s4f h TYR 591 Ca 0.61 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.46 1s4f h TYR 591 Cb 1.54 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.81 1s4f h TYR 591 CO -0.13 0.00 -0.09 -0.22 -1.64 0.00 0.00 178.16 176.08 1s4f h LYS 592 N 0.00 0.06 -0.97 1.82 1.63 0.89 -0.93 116.57 119.07 1s4f h LYS 592 Ca 0.42 -0.06 0.28 0.00 -0.85 0.00 0.00 60.65 60.44 1s4f h LYS 592 Cb 1.84 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 33.45 1s4f h LYS 592 CO -0.00 0.85 0.77 0.22 -3.45 0.00 0.00 179.45 177.84 1s4f h ASP 593 N -0.71 0.00 0.00 4.20 -0.00 0.14 0.42 116.42 120.47 1s4f h ASP 593 Ca -0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 57.03 56.92 1s4f h ASP 593 Cb 0.88 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.20 1s4f h ASP 593 CO 0.02 0.00 -1.08 1.33 -0.00 0.00 0.00 179.24 179.51 1s4f n VAL 594 N -4.00 0.83 0.32 2.25 0.24 -0.04 -4.62 118.33 113.32 1s4f n VAL 594 Ca 0.20 0.04 0.20 0.00 -2.04 0.00 0.00 64.34 62.75 1s4f n VAL 594 Cb 1.10 -1.71 1.03 0.00 -1.47 0.00 0.00 33.84 32.79 1s4f n VAL 594 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1s4f h ILE 595 N -0.34 0.08 0.00 1.34 1.08 -1.18 -3.45 117.51 115.04 1s4f h ILE 595 Ca -0.15 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.15 1s4f h ILE 595 Cb 0.88 1.16 0.00 0.00 -3.07 0.00 0.00 36.82 35.79 1s4f h ILE 595 CO -0.09 0.01 0.00 0.61 -0.69 0.00 0.00 178.15 177.99 1s4f n GLY 596 N -0.78 3.12 3.40 5.37 0.00 0.15 -4.97 105.19 111.47 1s4f n GLY 596 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 1s4f n GLY 596 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4f n ARG 597 N -1.97 0.83 -3.95 1.61 1.74 -1.25 -4.92 116.66 108.76 1s4f n ARG 597 Ca 0.00 -3.34 -0.36 0.00 -0.77 0.00 0.00 57.85 53.38 1s4f n ARG 597 Cb 0.00 0.74 -0.06 0.00 -1.02 0.00 0.00 32.46 32.11 1s4f n ARG 597 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1s4f s ASN 598 N -3.70 6.24 0.18 0.55 0.02 -1.26 -3.33 114.94 113.63 1s4f s ASN 598 Ca 0.09 0.42 -0.13 0.00 -1.02 0.00 0.00 52.86 52.21 1s4f s ASN 598 Cb -0.01 -1.99 0.14 0.00 0.02 0.00 0.00 41.25 39.41 1s4f s ASN 598 CO 0.06 0.40 1.78 0.25 0.02 0.00 0.00 177.10 179.60 1s4f h LEU 599 N 4.93 0.34 -1.66 0.60 6.46 -1.90 -0.00 115.31 124.07 1s4f h LEU 599 Ca -0.54 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.25 1s4f h LEU 599 Cb 1.22 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 1s4f h LEU 599 CO 0.58 0.24 0.40 0.28 -0.62 0.00 0.00 178.44 179.32 1s4f h SER 600 N 0.48 0.00 1.54 1.25 0.02 -1.93 0.22 113.55 115.12 1s4f h SER 600 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1s4f h SER 600 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1s4f h SER 600 CO -0.16 0.00 -0.45 -0.33 -1.14 0.00 0.00 176.83 174.75 1s4f h GLU 601 N 0.00 0.00 -5.52 3.45 5.08 -1.28 -3.43 114.58 112.88 1s4f h GLU 601 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1s4f h GLU 601 Cb 0.80 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1s4f h GLU 601 CO 0.00 0.00 0.67 -1.17 -1.00 0.00 0.00 179.01 177.51 1s4f s LEU 602 N -5.79 3.09 0.03 1.33 1.98 0.79 -0.98 118.68 119.13 1s4f s LEU 602 Ca 0.04 0.26 -0.01 0.00 -2.89 0.00 0.00 54.13 51.52 1s4f s LEU 602 Cb 0.07 -2.54 -0.27 0.00 0.66 0.00 0.00 46.19 44.12 1s4f s LEU 602 CO 0.72 -3.34 0.96 0.50 -1.89 0.00 0.00 176.35 173.30 1s4f h LYS 603 N 14.60 0.22 -2.04 1.98 3.64 -1.67 -3.43 116.57 129.87 1s4f h LYS 603 Ca -0.07 -0.37 -0.04 0.00 -1.27 0.00 0.00 60.65 58.90 1s4f h LYS 603 Cb 1.09 0.14 -0.21 0.00 -0.41 0.00 0.00 32.23 32.83 1s4f h LYS 603 CO 1.09 1.09 0.10 0.50 -2.27 0.00 0.00 179.45 179.96 1s4f s ARG 604 N -2.63 0.80 -0.07 1.90 3.52 -0.99 -4.98 118.95 116.50 1s4f s ARG 604 Ca -0.06 1.01 0.01 0.00 -0.13 0.00 0.00 55.73 56.56 1s4f s ARG 604 Cb 0.07 0.36 -0.03 0.00 -1.56 0.00 0.00 34.95 33.80 1s4f s ARG 604 CO 0.86 -0.11 -0.08 0.99 -0.81 0.00 0.00 175.30 176.15 1s4f s THR 605 N 0.55 3.60 -0.10 4.11 2.01 -1.26 -0.39 115.64 124.15 1s4f s THR 605 Ca -0.01 -0.52 -0.40 0.00 0.31 0.00 0.00 61.69 61.07 1s4f s THR 605 Cb -0.05 -2.46 -0.18 0.00 0.01 0.00 0.00 72.50 69.81 1s4f s THR 605 CO -0.02 0.59 1.36 0.61 -0.69 0.00 0.00 174.62 176.47 1s4f n GLY 606 N 2.28 0.23 0.16 4.40 0.00 -0.14 -4.84 105.19 107.28 1s4f n GLY 606 Ca -0.18 0.81 -0.13 0.00 0.00 0.00 0.00 46.02 46.52 1s4f n GLY 606 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1s4f h PHE 607 N 4.53 -0.28 0.73 1.61 -0.00 -1.96 -2.52 116.94 119.05 1s4f h PHE 607 Ca -0.48 -0.01 -0.03 0.00 -0.00 0.00 0.00 57.97 57.45 1s4f h PHE 607 Cb 1.37 0.09 -0.00 0.00 -0.00 0.00 0.00 35.95 37.41 1s4f h PHE 607 CO 0.63 0.01 -0.45 0.93 -0.00 0.00 0.00 178.31 179.43 1s4f h GLU 608 N -0.56 -1.06 -1.09 6.09 5.08 -1.99 0.24 114.58 121.29 1s4f h GLU 608 Ca -0.03 0.07 0.30 0.00 -1.00 0.00 0.00 59.36 58.70 1s4f h GLU 608 Cb 0.41 0.24 -0.06 0.00 0.50 0.00 0.00 28.75 29.84 1s4f h GLU 608 CO 0.05 -0.71 0.75 -0.22 -1.00 0.00 0.00 179.01 177.88 1s4f h LYS 609 N -1.10 0.14 0.11 2.33 1.63 -1.95 0.15 116.57 117.88 1s4f h LYS 609 Ca -0.10 -0.01 -0.27 0.00 -0.85 0.00 0.00 60.65 59.42 1s4f h LYS 609 Cb 0.88 -0.03 0.01 0.00 -0.60 0.00 0.00 32.23 32.49 1s4f h LYS 609 CO 0.10 0.09 -1.19 1.25 -3.45 0.00 0.00 179.45 176.25 1s4f h LEU 610 N 0.14 0.56 -0.76 5.20 7.12 -0.98 -0.91 115.31 125.68 1s4f h LEU 610 Ca 0.55 -0.54 -0.07 0.00 0.13 0.00 0.00 57.88 57.95 1s4f h LEU 610 Cb 1.90 -0.18 -0.03 0.00 -0.53 0.00 0.00 40.66 41.82 1s4f h LEU 610 CO -0.11 1.39 0.17 0.00 -0.13 0.00 0.00 178.44 179.76 1s4f h ALA 611 N 0.54 0.99 0.11 1.25 0.00 0.14 -1.47 119.26 120.82 1s4f h ALA 611 Ca -0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1s4f h ALA 611 Cb 1.88 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1s4f h ALA 611 CO 0.21 0.66 -0.05 -0.97 0.00 0.00 0.00 179.25 179.09 1s4f h ASN 612 N 1.05 -0.13 0.00 0.00 -0.73 -1.23 -2.81 115.58 111.74 1s4f h ASN 612 Ca 0.22 -0.26 0.00 0.00 1.87 0.00 0.00 56.30 58.13 1s4f h ASN 612 Cb 0.36 0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.98 1s4f h ASN 612 CO 0.00 0.20 0.00 0.18 -0.37 0.00 0.00 177.43 177.44 1s4f n LEU 613 N -5.01 0.00 -0.18 0.34 4.77 -0.35 -2.29 117.00 114.29 1s4f n LEU 613 Ca -0.09 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.92 1s4f n LEU 613 Cb 0.20 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.30 1s4f n LEU 613 CO 0.32 0.00 0.24 0.59 -1.33 0.00 0.00 177.39 177.22 1s4f n ASN 614 N -0.96 1.15 0.20 -1.43 3.02 -0.58 -1.39 115.26 115.27 1s4f n ASN 614 Ca 0.09 -1.08 -0.17 0.00 -0.03 0.00 0.00 54.58 53.39 1s4f n ASN 614 Cb 0.04 0.30 -0.10 0.00 -0.61 0.00 0.00 39.78 39.41 1s4f n ASN 614 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1s4f h LEU 615 N 0.87 -1.49 -1.79 3.41 6.46 -1.27 -2.24 115.31 119.26 1s4f h LEU 615 Ca 0.00 0.14 0.12 0.00 -0.12 0.00 0.00 57.88 58.02 1s4f h LEU 615 Cb 0.23 0.52 -0.02 0.00 -0.73 0.00 0.00 40.66 40.66 1s4f h LEU 615 CO 0.00 -0.61 0.55 0.77 -0.62 0.00 0.00 178.44 178.53 1s4f h SER 616 N -0.88 0.00 -0.60 1.25 4.64 -1.87 0.54 113.55 116.63 1s4f h SER 616 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1s4f h SER 616 Cb 0.82 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.88 1s4f h SER 616 CO -0.18 0.00 0.39 -0.07 -0.87 0.00 0.00 176.83 176.10 1s4f h LEU 617 N 0.00 0.69 0.00 5.97 3.38 -1.74 -0.62 115.31 122.99 1s4f h LEU 617 Ca 0.20 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1s4f h LEU 617 Cb 1.30 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1s4f h LEU 617 CO -0.00 0.51 -0.00 0.28 0.09 0.00 0.00 178.44 179.32 1s4f h SER 618 N 0.81 -0.00 -0.92 -0.43 0.02 -1.01 0.22 113.55 112.23 1s4f h SER 618 Ca 0.22 0.00 0.26 0.00 -0.84 0.00 0.00 61.79 61.42 1s4f h SER 618 Cb -0.08 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.30 1s4f h SER 618 CO -0.05 0.39 0.12 0.74 -1.14 0.00 0.00 176.83 176.89 1s4f h THR 619 N -0.78 0.15 -0.43 -2.27 2.02 -1.44 0.84 112.91 111.00 1s4f h THR 619 Ca -0.00 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1s4f h THR 619 Cb 0.00 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.48 1s4f h THR 619 CO 0.00 0.01 0.00 0.18 0.37 0.00 0.00 175.52 176.09 1s4f n LEU 620 N -5.38 2.49 -2.74 2.58 4.77 -0.24 -4.93 117.00 113.55 1s4f n LEU 620 Ca 0.22 -1.25 -0.18 0.00 -0.03 0.00 0.00 56.01 54.77 1s4f n LEU 620 Cb 0.73 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1s4f n LEU 620 CO -0.01 0.57 -0.12 0.61 -1.33 0.00 0.00 177.39 177.11 1s4f n GLY 621 N 1.10 -0.50 0.25 -0.72 0.00 0.29 -4.88 105.19 100.73 1s4f n GLY 621 Ca 0.15 0.04 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 1s4f n GLY 621 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1s4f h VAL 622 N -0.48 1.28 -2.08 1.61 2.07 -0.78 -3.44 116.25 114.43 1s4f h VAL 622 Ca -0.41 -1.70 -0.57 0.00 0.82 0.00 0.00 66.70 64.85 1s4f h VAL 622 Cb 1.29 1.59 -0.13 0.00 -1.52 0.00 0.00 31.29 32.51 1s4f h VAL 622 CO 0.47 0.55 -0.56 -1.66 0.02 0.00 0.00 177.57 176.39 1s4f s TRP 623 N -4.17 2.00 0.37 1.57 1.48 -1.10 -1.45 118.94 117.64 1s4f s TRP 623 Ca -0.10 -0.99 0.08 0.00 -1.06 0.00 0.00 56.10 54.03 1s4f s TRP 623 Cb 0.11 -1.41 -0.05 0.00 -1.16 0.00 0.00 33.47 30.96 1s4f s TRP 623 CO 0.88 0.05 0.14 0.95 -4.06 0.00 0.00 176.95 174.92 1s4f s THR 624 N -3.08 2.64 0.22 0.66 -4.23 -1.08 -4.83 115.64 105.93 1s4f s THR 624 Ca 0.27 -1.73 -0.08 0.00 -1.18 0.00 0.00 61.69 58.97 1s4f s THR 624 Cb 0.06 -2.95 0.17 0.00 1.34 0.00 0.00 72.50 71.11 1s4f s THR 624 CO 0.13 -0.10 1.78 0.11 -0.54 0.00 0.00 174.62 176.00 1s4f h LYS 625 N 1.53 0.59 0.00 3.99 6.56 -2.02 -1.58 116.57 125.64 1s4f h LYS 625 Ca -0.43 -0.04 -0.04 0.00 -1.06 0.00 0.00 60.65 59.08 1s4f h LYS 625 Cb 1.25 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 32.77 1s4f h LYS 625 CO 0.66 0.39 -0.21 0.45 -2.06 0.00 0.00 179.45 178.69 1s4f h HIS 626 N 0.60 0.00 -0.95 -1.35 3.86 -1.99 -3.30 115.15 112.03 1s4f h HIS 626 Ca 0.33 0.00 0.19 0.00 -1.16 0.00 0.00 60.37 59.73 1s4f h HIS 626 Cb 0.33 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 28.62 1s4f h HIS 626 CO -0.11 0.21 -0.24 1.15 0.86 0.00 0.00 177.93 179.80 1s4f h THR 627 N 0.00 0.05 0.23 2.45 2.02 -1.64 1.01 112.91 117.03 1s4f h THR 627 Ca -0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1s4f h THR 627 Cb 0.56 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1s4f h THR 627 CO 0.03 0.00 -0.32 0.28 0.37 0.00 0.00 175.52 175.88 1s4f h SER 628 N -0.00 -0.90 0.07 4.18 0.02 -1.76 0.49 113.55 115.67 1s4f h SER 628 Ca 0.45 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.49 1s4f h SER 628 Cb 0.69 0.32 -0.00 0.00 0.14 0.00 0.00 62.40 63.55 1s4f h SER 628 CO -0.98 -0.43 -0.04 0.50 -1.14 0.00 0.00 176.83 174.74 1s4f h LYS 629 N -0.62 -0.10 -0.46 3.45 3.64 -1.18 -1.62 116.57 119.68 1s4f h LYS 629 Ca 0.00 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1s4f h LYS 629 Cb 0.60 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.35 1s4f h LYS 629 CO -0.12 -0.07 -0.50 0.00 -2.27 0.00 0.00 179.45 176.49 1s4f h ARG 630 N -0.11 -0.33 -0.73 1.90 3.08 0.13 0.34 114.38 118.67 1s4f h ARG 630 Ca -0.01 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.07 1s4f h ARG 630 Cb 0.08 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 1s4f h ARG 630 CO 0.01 -0.22 0.48 0.82 -1.07 0.00 0.00 179.97 179.99 1s4f h ILE 631 N -0.34 1.19 0.25 2.04 1.08 -0.80 -2.04 117.51 118.90 1s4f h ILE 631 Ca 0.11 -0.36 0.01 0.00 -0.39 0.00 0.00 64.86 64.23 1s4f h ILE 631 Cb 0.58 0.12 -0.04 0.00 -3.07 0.00 0.00 36.82 34.42 1s4f h ILE 631 CO -0.62 0.19 -0.42 0.40 -0.69 0.00 0.00 178.15 177.00 1s4f h ILE 632 N 1.00 0.15 -0.92 -0.67 2.04 -0.10 -1.25 117.51 117.75 1s4f h ILE 632 Ca 0.27 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.28 1s4f h ILE 632 Cb -0.10 0.15 -0.10 0.00 -0.74 0.00 0.00 36.82 36.03 1s4f h ILE 632 CO -0.06 0.00 0.53 1.56 0.00 0.00 0.00 178.15 180.18 1s4f h GLN 633 N -0.75 0.72 -1.00 2.37 4.20 -0.86 0.26 115.11 120.06 1s4f h GLN 633 Ca -0.01 -0.04 0.22 0.00 0.06 0.00 0.00 58.65 58.88 1s4f h GLN 633 Cb 0.72 -0.16 -0.10 0.00 0.30 0.00 0.00 27.48 28.23 1s4f h GLN 633 CO -0.16 0.48 0.62 -0.44 -0.67 0.00 0.00 178.83 178.65 1s4f h ASP 634 N 0.75 0.67 0.23 1.46 3.45 -0.50 0.44 116.42 122.91 1s4f h ASP 634 Ca 0.50 0.10 -0.01 0.00 0.43 0.00 0.00 57.03 58.05 1s4f h ASP 634 Cb 0.68 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.44 1s4f h ASP 634 CO -0.34 0.19 -0.11 0.00 -1.57 0.00 0.00 179.24 177.41 1s4f n VAL 636 N -4.98 -0.40 0.02 0.00 0.31 -0.00 -0.46 118.33 112.82 1s4f n VAL 636 Ca -0.04 2.10 -0.02 0.00 -0.01 0.00 0.00 64.34 66.37 1s4f n VAL 636 Cb 0.14 -3.06 -0.01 0.00 -0.91 0.00 0.00 33.84 30.00 1s4f n VAL 636 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s4f h ALA 637 N 1.91 -0.74 -0.80 3.52 0.00 -0.24 -2.34 119.26 120.56 1s4f h ALA 637 Ca 0.58 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.65 1s4f h ALA 637 Cb 1.19 0.33 -0.11 0.00 0.00 0.00 0.00 17.79 19.21 1s4f h ALA 637 CO -0.90 -0.75 0.29 0.82 0.00 0.00 0.00 179.25 178.72 1s4f h ILE 638 N -0.08 0.54 0.00 0.00 2.04 -1.04 -2.65 117.51 116.32 1s4f h ILE 638 Ca -0.00 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1s4f h ILE 638 Cb 0.07 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1s4f h ILE 638 CO -0.01 0.07 0.00 0.61 0.00 0.00 0.00 178.15 178.82 1s4f n GLY 639 N -1.34 -0.92 0.09 5.37 0.00 0.39 -3.77 105.19 105.00 1s4f n GLY 639 Ca 0.17 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 1s4f n GLY 639 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1s4f n LYS 640 N -0.64 0.67 -0.91 1.61 2.85 -0.90 -4.69 118.16 116.16 1s4f n LYS 640 Ca 0.06 0.06 -0.33 0.00 -1.05 0.00 0.00 58.31 57.04 1s4f n LYS 640 Cb 0.03 -1.59 0.12 0.00 -0.65 0.00 0.00 35.03 32.93 1s4f n LYS 640 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1s4f n GLU 641 N -2.79 -0.14 -2.12 -1.58 1.02 -1.25 -4.86 120.64 108.91 1s4f n GLU 641 Ca -0.27 0.01 -0.41 0.00 -0.02 0.00 0.00 57.16 56.47 1s4f n GLU 641 Cb 1.09 -1.96 -0.03 0.00 -0.02 0.00 0.00 31.44 30.53 1s4f n GLU 641 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1s4f s GLU 642 N -3.60 4.34 0.00 3.49 0.41 -1.26 -4.89 118.70 117.19 1s4f s GLU 642 Ca 0.61 2.17 0.00 0.00 -0.41 0.00 0.00 54.97 57.34 1s4f s GLU 642 Cb -0.25 -3.15 0.00 0.00 -1.78 0.00 0.00 34.13 28.95 1s4f s GLU 642 CO 0.63 -0.32 0.00 0.41 -0.49 0.00 0.00 175.26 175.49 1s4f n GLY 643 N 2.24 3.18 3.40 -1.39 0.00 -1.26 -5.00 105.19 106.36 1s4f n GLY 643 Ca 0.06 -1.56 -0.45 0.00 0.00 0.00 0.00 46.02 44.07 1s4f n GLY 643 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1s4f s ASN 644 N 0.00 6.62 -0.19 1.61 2.47 -1.26 -4.87 114.94 119.31 1s4f s ASN 644 Ca 0.00 -2.20 -0.19 0.00 0.42 0.00 0.00 52.86 50.89 1s4f s ASN 644 Cb 0.00 -2.32 -0.03 0.00 -1.45 0.00 0.00 41.25 37.45 1s4f s ASN 644 CO 0.00 -0.89 0.53 0.26 -3.72 0.00 0.00 177.10 173.28 1s4f s TRP 645 N 1.75 3.38 -2.00 0.43 0.23 -1.26 -4.93 118.94 116.54 1s4f s TRP 645 Ca 0.24 0.80 0.07 0.00 -2.03 0.00 0.00 56.10 55.19 1s4f s TRP 645 Cb -0.09 -2.68 0.45 0.00 0.03 0.00 0.00 33.47 31.17 1s4f s TRP 645 CO -0.07 -0.10 0.86 -0.11 0.96 0.00 0.00 176.95 178.49 1s4f n LEU 646 N 4.76 0.00 -1.09 2.99 0.00 -1.26 -0.99 117.00 121.40 1s4f n LEU 646 Ca -0.04 0.00 0.12 0.00 0.00 0.00 0.00 56.01 56.08 1s4f n LEU 646 Cb 0.50 0.00 0.23 0.00 0.00 0.00 0.00 43.42 44.15 1s4f n LEU 646 CO 0.42 0.00 0.71 1.33 0.00 0.00 0.00 177.39 179.85 1s4f n VAL 647 N -0.87 0.45 0.90 1.96 0.24 -1.26 -4.00 118.33 115.75 1s4f n VAL 647 Ca 0.06 -0.70 0.13 0.00 -2.04 0.00 0.00 64.34 61.79 1s4f n VAL 647 Cb 0.03 0.94 0.49 0.00 -1.47 0.00 0.00 33.84 33.83 1s4f n VAL 647 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1s4f n LYS 648 N 1.38 0.07 0.27 7.34 4.76 -0.17 -3.61 118.16 128.19 1s4f n LYS 648 Ca 0.19 0.05 0.18 0.00 -2.87 0.00 0.00 58.31 55.85 1s4f n LYS 648 Cb 0.58 -1.57 0.83 0.00 -1.84 0.00 0.00 35.03 33.04 1s4f n LYS 648 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 1s4f h PRO 649 N 0.00 0.00 -6.22 1.97 0.11 -1.79 -3.34 132.00 122.73 1s4f h PRO 649 Ca 0.00 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.55 1s4f h PRO 649 Cb 0.56 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.64 1s4f h PRO 649 CO 0.00 0.00 0.98 0.34 -0.21 0.00 0.00 178.00 179.11 1s4f s ASP 650 N -5.18 6.78 0.38 -2.05 2.15 -1.24 -3.75 116.67 113.76 1s4f s ASP 650 Ca -0.01 1.73 0.08 0.00 0.43 0.00 0.00 52.55 54.78 1s4f s ASP 650 Cb 0.10 -2.54 0.82 0.00 -0.30 0.00 0.00 42.92 41.00 1s4f s ASP 650 CO 0.45 -0.90 1.95 0.03 -0.17 0.00 0.00 175.17 176.52 1s4f h ARG 651 N 8.95 0.65 -0.16 4.34 3.08 -1.83 0.42 114.38 129.82 1s4f h ARG 651 Ca -0.30 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.65 1s4f h ARG 651 Cb 1.12 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.03 1s4f h ARG 651 CO 0.98 0.43 -0.15 1.25 -1.07 0.00 0.00 179.97 181.41 1s4f h LEU 652 N 0.67 0.41 -0.40 3.04 5.85 -1.91 -1.08 115.31 121.89 1s4f h LEU 652 Ca 0.33 -0.47 -0.08 0.00 0.84 0.00 0.00 57.88 58.49 1s4f h LEU 652 Cb 0.40 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1s4f h LEU 652 CO -0.11 0.79 -0.07 0.40 -0.34 0.00 0.00 178.44 179.11 1s4f h ILE 653 N 0.02 1.27 -0.24 4.05 5.03 -1.73 -2.09 117.51 123.82 1s4f h ILE 653 Ca 0.03 -1.14 0.05 0.00 -0.12 0.00 0.00 64.86 63.68 1s4f h ILE 653 Cb 0.67 1.20 -0.05 0.00 -3.03 0.00 0.00 36.82 35.62 1s4f h ILE 653 CO 0.04 0.38 -0.08 -1.28 -0.68 0.00 0.00 178.15 176.53 1s4f h SER 654 N 0.56 -0.29 -0.01 1.72 0.87 -0.17 0.11 113.55 116.33 1s4f h SER 654 Ca 0.10 0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.75 1s4f h SER 654 Cb 0.58 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 1s4f h SER 654 CO 0.03 -0.11 -0.17 -1.28 -0.53 0.00 0.00 176.83 174.77 1s4f h SER 655 N -0.04 -0.53 -1.07 6.23 0.87 -1.05 0.16 113.55 118.13 1s4f h SER 655 Ca 0.12 0.06 0.30 0.00 -1.23 0.00 0.00 61.79 61.04 1s4f h SER 655 Cb 0.22 0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 62.33 1s4f h SER 655 CO -0.27 -0.16 0.76 0.11 -0.53 0.00 0.00 176.83 176.73 1s4f h LYS 656 N -0.20 0.08 0.00 2.24 1.57 -0.92 -2.18 116.57 117.15 1s4f h LYS 656 Ca 0.01 -0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 1s4f h LYS 656 Cb 0.22 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1s4f h LYS 656 CO -0.12 0.05 -1.40 1.79 -0.57 0.00 0.00 179.45 179.20 1s4f h THR 657 N 0.08 0.59 -2.53 -0.16 1.35 -0.05 -3.48 112.91 108.71 1s4f h THR 657 Ca 0.53 -2.14 -0.09 0.00 -0.55 0.00 0.00 66.41 64.16 1s4f h THR 657 Cb 1.95 2.13 0.04 0.00 -1.73 0.00 0.00 68.15 70.53 1s4f h THR 657 CO -0.06 0.34 -0.18 0.61 -0.25 0.00 0.00 175.52 175.97 1s4f n GLY 658 N 1.41 0.43 3.51 5.82 0.00 -0.02 -4.72 105.19 111.62 1s4f n GLY 658 Ca -0.10 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 1s4f n GLY 658 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1s4f s HIS 659 N -3.09 -0.67 0.39 1.61 3.76 -1.21 -5.09 115.29 111.00 1s4f s HIS 659 Ca 0.09 1.62 0.08 0.00 -0.15 0.00 0.00 55.06 56.69 1s4f s HIS 659 Cb -0.04 0.23 -0.04 0.00 1.11 0.00 0.00 32.58 33.84 1s4f s HIS 659 CO 0.18 -0.33 0.23 -0.51 -0.85 0.00 0.00 174.74 173.47 1s4f s LEU 660 N 0.29 3.24 -0.09 0.89 1.43 -1.26 -4.59 118.68 118.59 1s4f s LEU 660 Ca -0.00 -0.90 -0.01 0.00 -1.03 0.00 0.00 54.13 52.18 1s4f s LEU 660 Cb -0.04 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 1s4f s LEU 660 CO 0.01 -0.51 -0.02 -0.47 0.23 0.00 0.00 176.35 175.59 1s4f s TYR 661 N -2.52 3.08 -0.43 0.29 5.04 -1.26 -4.54 117.35 117.02 1s4f s TYR 661 Ca 0.42 0.10 -0.05 0.00 -2.44 0.00 0.00 57.07 55.10 1s4f s TYR 661 Cb 0.00 -1.78 0.11 0.00 0.35 0.00 0.00 41.96 40.64 1s4f s TYR 661 CO 0.24 0.38 0.25 0.42 -1.34 0.00 0.00 175.55 175.50 1s4f s ILE 662 N -0.74 3.64 1.13 3.14 1.09 -1.26 -4.94 121.20 123.27 1s4f s ILE 662 Ca 0.11 -1.90 -0.16 0.00 -1.10 0.00 0.00 60.65 57.61 1s4f s ILE 662 Cb -0.11 -3.43 0.18 0.00 -1.06 0.00 0.00 42.46 38.04 1s4f s ILE 662 CO 0.02 -0.68 0.44 -2.65 -0.10 0.00 0.00 174.94 171.97 1s4f n PRO 663 N 4.72 -1.88 0.00 2.79 -0.02 -1.26 -5.06 135.00 134.29 1s4f n PRO 663 Ca -0.05 -0.52 0.00 0.00 -2.02 0.00 0.00 63.50 60.91 1s4f n PRO 663 Cb 0.41 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1s4f n PRO 663 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1s4f n ASP 664 N -3.00 0.00 -0.32 2.55 8.00 -1.26 -5.04 116.55 117.48 1s4f n ASP 664 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1s4f n ASP 664 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 1s4f n ASP 664 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1s4f n LYS 665 N 0.00 2.93 0.00 -1.24 4.01 -1.26 -4.75 118.16 117.85 1s4f n LYS 665 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1s4f n LYS 665 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1s4f n LYS 665 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1s4f n GLY 666 N 0.06 1.12 2.66 0.72 0.00 -1.15 -3.85 105.19 104.75 1s4f n GLY 666 Ca 0.00 -0.89 -0.23 0.00 0.00 0.00 0.00 46.02 44.90 1s4f n GLY 666 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s4f s PHE 667 N 0.00 0.08 0.39 1.61 0.40 0.14 -2.88 117.98 117.73 1s4f s PHE 667 Ca 0.00 -0.01 -0.27 0.00 -0.60 0.00 0.00 56.93 56.05 1s4f s PHE 667 Cb 0.00 -0.56 -0.09 0.00 0.51 0.00 0.00 43.02 42.87 1s4f s PHE 667 CO 0.00 -0.39 1.35 0.99 0.70 0.00 0.00 175.22 177.87 1s4f s THR 668 N 2.18 2.46 0.11 0.64 2.01 -1.26 -1.24 115.64 120.54 1s4f s THR 668 Ca 0.03 0.43 0.02 0.00 0.31 0.00 0.00 61.69 62.48 1s4f s THR 668 Cb -0.14 -3.26 -0.01 0.00 0.01 0.00 0.00 72.50 69.10 1s4f s THR 668 CO -0.07 0.08 0.06 0.18 -0.69 0.00 0.00 174.62 174.18 1s4f n LEU 669 N 0.25 0.00 -4.63 4.42 4.77 0.16 -4.94 117.00 117.04 1s4f n LEU 669 Ca 0.03 -0.96 -0.25 0.00 -0.03 0.00 0.00 56.01 54.80 1s4f n LEU 669 Cb 0.42 0.41 -0.09 0.00 -2.33 0.00 0.00 43.42 41.84 1s4f n LEU 669 CO 0.58 -0.15 -0.30 -1.10 -1.33 0.00 0.00 177.39 175.08 1s4f s GLN 670 N -2.44 2.05 0.07 3.23 -0.21 -1.26 -2.65 119.66 118.45 1s4f s GLN 670 Ca 0.09 -1.79 0.00 0.00 0.02 0.00 0.00 55.36 53.68 1s4f s GLN 670 Cb 0.00 -1.89 0.00 0.00 1.00 0.00 0.00 33.01 32.12 1s4f s GLN 670 CO 0.06 0.11 0.00 0.41 -2.12 0.00 0.00 175.29 173.76 1s4f n GLY 671 N -0.95 -0.42 2.14 3.09 0.00 -0.89 -4.73 105.19 103.43 1s4f n GLY 671 Ca -0.04 0.06 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 1s4f n GLY 671 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1s4f n LYS 672 N -2.69 0.92 -3.44 1.61 -0.00 0.20 -4.74 118.16 110.03 1s4f n LYS 672 Ca 0.00 -1.86 -0.38 0.00 -0.00 0.00 0.00 58.31 56.07 1s4f n LYS 672 Cb 0.00 -0.13 -0.06 0.00 -0.00 0.00 0.00 35.03 34.84 1s4f n LYS 672 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.40 174.02 1s4f s HIS 673 N -0.90 3.63 -2.26 5.58 -3.43 -1.25 -4.72 115.29 111.94 1s4f s HIS 673 Ca 0.15 0.93 0.18 0.00 -0.80 0.00 0.00 55.06 55.52 1s4f s HIS 673 Cb 0.30 -2.39 0.14 0.00 -1.43 0.00 0.00 32.58 29.21 1s4f s HIS 673 CO -0.08 0.44 1.07 0.66 -2.00 0.00 0.00 174.74 174.83