#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1opk s LEU 84 N 0.00 4.18 0.26 3.41 2.96 -1.26 -4.53 118.68 123.69 1opk s LEU 84 Ca 0.00 0.95 0.11 0.00 -0.22 0.00 0.00 54.13 54.97 1opk s LEU 84 Cb 0.00 -3.67 -0.05 0.00 0.50 0.00 0.00 46.19 42.97 1opk s LEU 84 CO 0.00 -0.06 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.42 1opk s PHE 85 N -1.80 2.15 -0.00 5.38 0.40 -0.54 0.75 117.98 124.32 1opk s PHE 85 Ca 0.47 -0.39 0.04 0.00 -0.60 0.00 0.00 56.93 56.45 1opk s PHE 85 Cb -0.11 -0.95 -0.01 0.00 0.51 0.00 0.00 43.02 42.46 1opk s PHE 85 CO 0.21 0.63 -0.12 0.54 0.70 0.00 0.00 175.22 177.18 1opk s VAL 86 N -2.61 0.94 0.08 -0.44 0.11 0.92 -0.98 120.40 118.42 1opk s VAL 86 Ca 0.28 -0.55 -0.31 0.00 -2.93 0.00 0.00 61.98 58.47 1opk s VAL 86 Cb -0.04 -0.79 -0.06 0.00 -1.53 0.00 0.00 36.38 33.96 1opk s VAL 86 CO 0.13 0.23 1.19 0.00 -3.33 0.00 0.00 175.10 173.33 1opk s ALA 87 N -0.34 3.39 -0.22 1.54 0.00 -0.38 -1.40 121.76 124.36 1opk s ALA 87 Ca 0.04 0.86 0.22 0.00 0.00 0.00 0.00 51.96 53.08 1opk s ALA 87 Cb -0.05 -3.44 -0.18 0.00 0.00 0.00 0.00 23.12 19.46 1opk s ALA 87 CO -0.00 -0.42 0.75 1.28 0.00 0.00 0.00 175.76 177.37 1opk n LEU 88 N 3.73 0.39 -3.90 0.00 4.77 0.60 -0.59 117.00 122.00 1opk n LEU 88 Ca 0.08 0.07 -0.10 0.00 -0.03 0.00 0.00 56.01 56.03 1opk n LEU 88 Cb 0.46 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 1opk n LEU 88 CO 0.55 -0.04 -0.19 -0.31 -1.33 0.00 0.00 177.39 176.07 1opk s TYR 89 N -3.40 0.11 0.55 -1.77 1.51 -1.16 -4.89 117.35 108.30 1opk s TYR 89 Ca -0.03 -0.29 -0.18 0.00 -1.01 0.00 0.00 57.07 55.56 1opk s TYR 89 Cb 0.13 -0.09 -0.05 0.00 -0.11 0.00 0.00 41.96 41.84 1opk s TYR 89 CO 0.86 -0.31 1.08 -0.51 -1.11 0.00 0.00 175.55 175.56 1opk s ASP 90 N -1.67 5.85 -0.12 2.29 1.11 -1.26 -4.13 116.67 118.74 1opk s ASP 90 Ca -0.11 2.00 -0.06 0.00 0.18 0.00 0.00 52.55 54.56 1opk s ASP 90 Cb -0.05 -2.56 0.05 0.00 1.07 0.00 0.00 42.92 41.43 1opk s ASP 90 CO -0.01 -1.12 0.28 0.12 1.18 0.00 0.00 175.17 175.62 1opk s PHE 91 N -2.06 -0.40 -0.17 4.23 5.36 -0.64 -4.95 117.98 119.35 1opk s PHE 91 Ca 0.68 0.91 -0.08 0.00 -0.96 0.00 0.00 56.93 57.49 1opk s PHE 91 Cb -0.19 0.07 -0.04 0.00 -0.34 0.00 0.00 43.02 42.51 1opk s PHE 91 CO 0.29 -0.28 0.10 0.08 -1.46 0.00 0.00 175.22 173.95 1opk s VAL 92 N 1.54 5.15 0.22 3.12 1.01 -1.26 -0.70 120.40 129.48 1opk s VAL 92 Ca -0.07 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 1opk s VAL 92 Cb -0.10 -3.31 -0.08 0.00 0.00 0.00 0.00 36.38 32.88 1opk s VAL 92 CO -0.09 0.50 1.06 0.00 0.00 0.00 0.00 175.10 176.56 1opk s ALA 93 N -0.03 3.37 0.00 5.51 0.00 -1.26 -4.83 121.76 124.51 1opk s ALA 93 Ca 0.08 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.83 1opk s ALA 93 Cb -0.12 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1opk s ALA 93 CO 0.00 -0.09 0.00 0.43 0.00 0.00 0.00 175.76 176.10 1opk n SER 94 N 1.81 0.00 -4.68 0.00 7.64 -1.26 -4.92 113.62 112.20 1opk n SER 94 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1opk n SER 94 Cb 0.46 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.64 1opk n SER 94 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1opk s GLY 95 N -1.78 2.02 0.60 0.23 0.00 -1.26 -4.89 107.32 102.25 1opk s GLY 95 Ca 0.00 0.55 0.28 0.00 0.00 0.00 0.00 44.72 45.55 1opk s GLY 95 CO 0.00 2.24 1.73 -1.80 0.00 0.00 0.00 173.10 175.27 1opk h ASP 96 N 7.57 0.00 -0.40 1.64 3.58 -1.98 0.26 116.42 127.08 1opk h ASP 96 Ca -0.32 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.13 1opk h ASP 96 Cb 1.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.20 1opk h ASP 96 CO 0.90 0.00 0.00 -0.46 -2.88 0.00 0.00 179.24 176.80 1opk n ASN 97 N -3.49 2.80 -4.95 2.28 6.94 -1.26 -4.91 115.26 112.67 1opk n ASN 97 Ca 0.11 -1.93 -0.23 0.00 -0.02 0.00 0.00 54.58 52.51 1opk n ASN 97 Cb 0.87 -0.26 -0.01 0.00 -2.36 0.00 0.00 39.78 38.02 1opk n ASN 97 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1opk s THR 98 N -1.47 4.87 -0.03 5.53 -4.23 0.89 -0.40 115.64 120.81 1opk s THR 98 Ca 0.36 -0.50 0.05 0.00 -1.18 0.00 0.00 61.69 60.43 1opk s THR 98 Cb 0.20 -3.78 -0.01 0.00 1.34 0.00 0.00 72.50 70.25 1opk s THR 98 CO 0.28 -0.50 -0.19 -0.22 -0.54 0.00 0.00 174.62 173.45 1opk s LEU 99 N -4.35 1.99 0.11 4.79 2.96 -0.05 -4.55 118.68 119.57 1opk s LEU 99 Ca 0.41 -0.36 -0.30 0.00 -0.22 0.00 0.00 54.13 53.67 1opk s LEU 99 Cb -0.10 -1.01 -0.06 0.00 0.50 0.00 0.00 46.19 45.53 1opk s LEU 99 CO 0.36 0.20 0.96 -0.44 -1.32 0.00 0.00 176.35 176.11 1opk s SER 100 N -0.22 7.49 0.09 3.68 0.01 -1.26 -4.45 113.70 119.04 1opk s SER 100 Ca 0.02 1.78 0.03 0.00 1.31 0.00 0.00 55.95 59.09 1opk s SER 100 Cb -0.10 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.51 1opk s SER 100 CO 0.01 -0.06 -0.09 0.27 0.41 0.00 0.00 173.24 173.78 1opk s ILE 101 N -0.01 0.81 -0.06 1.44 -4.36 0.12 -4.93 121.20 114.21 1opk s ILE 101 Ca 0.47 -1.60 0.04 0.00 -0.26 0.00 0.00 60.65 59.30 1opk s ILE 101 Cb -0.23 -1.29 -0.02 0.00 1.25 0.00 0.00 42.46 42.17 1opk s ILE 101 CO 0.30 -0.60 -0.18 -0.89 0.24 0.00 0.00 174.94 173.81 1opk s THR 102 N -2.51 2.71 0.16 8.37 2.01 -1.26 -1.62 115.64 123.50 1opk s THR 102 Ca 0.04 -0.84 -0.34 0.00 0.31 0.00 0.00 61.69 60.86 1opk s THR 102 Cb -0.02 -2.05 -0.15 0.00 0.01 0.00 0.00 72.50 70.28 1opk s THR 102 CO -0.01 0.57 1.30 1.17 -0.69 0.00 0.00 174.62 176.97 1opk n LYS 103 N 2.68 1.42 0.00 4.92 4.81 -1.26 -1.50 118.16 129.23 1opk n LYS 103 Ca -0.17 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 1opk n LYS 103 Cb 0.52 -2.11 0.00 0.00 0.02 0.00 0.00 35.03 33.46 1opk n LYS 103 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1opk n GLY 104 N 2.35 1.35 3.80 3.14 0.00 0.24 -4.96 105.19 111.11 1opk n GLY 104 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1opk n GLY 104 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1opk s GLU 105 N -0.69 3.99 0.30 1.61 2.12 -0.56 -4.69 118.70 120.78 1opk s GLU 105 Ca 0.00 1.31 -0.12 0.00 0.36 0.00 0.00 54.97 56.52 1opk s GLU 105 Cb 0.00 -2.19 -0.08 0.00 0.26 0.00 0.00 34.13 32.12 1opk s GLU 105 CO 0.00 -0.26 0.66 0.15 -0.54 0.00 0.00 175.26 175.27 1opk s LYS 106 N -3.09 3.87 0.05 4.30 1.02 -1.26 -1.25 119.74 123.37 1opk s LYS 106 Ca 0.64 0.45 -0.08 0.00 0.02 0.00 0.00 55.97 57.00 1opk s LYS 106 Cb -0.15 -2.52 -0.00 0.00 -0.52 0.00 0.00 37.83 34.64 1opk s LYS 106 CO 0.19 0.19 0.15 -0.51 -0.92 0.00 0.00 175.35 174.44 1opk s LEU 107 N -3.11 1.58 -0.13 3.17 1.02 -0.15 -4.65 118.68 116.42 1opk s LEU 107 Ca 0.51 -0.50 -0.00 0.00 0.02 0.00 0.00 54.13 54.16 1opk s LEU 107 Cb -0.11 0.81 -0.02 0.00 0.02 0.00 0.00 46.19 46.89 1opk s LEU 107 CO 0.22 -0.57 -0.12 -0.60 0.02 0.00 0.00 176.35 175.30 1opk s ARG 108 N -2.82 3.38 -0.17 1.70 3.52 -0.52 -1.47 118.95 122.56 1opk s ARG 108 Ca -0.03 -0.67 -0.13 0.00 -0.13 0.00 0.00 55.73 54.77 1opk s ARG 108 Cb 0.00 -2.65 -0.05 0.00 -1.56 0.00 0.00 34.95 30.70 1opk s ARG 108 CO -0.05 0.24 0.25 0.08 -0.81 0.00 0.00 175.30 175.00 1opk s VAL 109 N 0.30 5.33 -0.16 7.11 1.01 -1.26 -0.63 120.40 132.11 1opk s VAL 109 Ca -0.10 0.45 0.10 0.00 0.00 0.00 0.00 61.98 62.44 1opk s VAL 109 Cb -0.16 -3.59 -0.23 0.00 0.00 0.00 0.00 36.38 32.40 1opk s VAL 109 CO 0.05 0.40 0.21 0.18 0.00 0.00 0.00 175.10 175.94 1opk n LEU 110 N 3.60 1.16 0.00 3.92 4.77 0.17 -4.99 117.00 125.64 1opk n LEU 110 Ca -0.13 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1opk n LEU 110 Cb 0.52 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1opk n LEU 110 CO 0.39 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 1opk n GLY 111 N 1.83 -0.44 3.55 -0.72 0.00 -1.21 -4.97 105.19 103.23 1opk n GLY 111 Ca -0.31 -0.95 -0.24 0.00 0.00 0.00 0.00 46.02 44.52 1opk n GLY 111 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1opk s TYR 112 N -2.00 2.45 0.00 1.61 2.02 -1.26 -0.40 117.35 119.76 1opk s TYR 112 Ca 0.00 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.34 1opk s TYR 112 Cb 0.00 -1.21 0.00 0.00 -0.40 0.00 0.00 41.96 40.35 1opk s TYR 112 CO 0.00 0.62 0.00 0.27 -1.57 0.00 0.00 175.55 174.87 1opk n ASN 113 N -0.78 0.00 0.23 2.29 6.94 -0.73 -4.90 115.26 118.31 1opk n ASN 113 Ca -0.05 -0.98 0.12 0.00 -0.02 0.00 0.00 54.58 53.65 1opk n ASN 113 Cb 0.61 0.00 0.73 0.00 -2.36 0.00 0.00 39.78 38.76 1opk n ASN 113 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 1opk h HIS 114 N -0.85 0.00 -0.07 -2.53 2.07 -1.91 -2.90 115.15 108.96 1opk h HIS 114 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1opk h HIS 114 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1opk h HIS 114 CO 0.00 0.00 0.00 0.27 -3.07 0.00 0.00 177.93 175.13 1opk n ASN 115 N -4.30 2.06 0.00 3.10 0.23 -1.26 -4.98 115.26 110.11 1opk n ASN 115 Ca -0.01 -1.85 0.00 0.00 -0.53 0.00 0.00 54.58 52.19 1opk n ASN 115 Cb 0.17 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 1opk n ASN 115 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1opk n GLY 116 N -0.18 0.94 0.14 4.83 0.00 -1.10 -4.88 105.19 104.95 1opk n GLY 116 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1opk n GLY 116 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1opk h GLU 117 N 2.46 0.00 -5.12 1.61 5.08 -1.94 -3.43 114.58 113.24 1opk h GLU 117 Ca 0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.00 1opk h GLU 117 Cb 0.00 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.07 1opk h GLU 117 CO 0.00 0.00 -0.74 -1.58 -1.00 0.00 0.00 179.01 175.69 1opk s TRP 118 N -3.19 1.16 0.02 4.33 0.52 -1.26 -0.78 118.94 119.73 1opk s TRP 118 Ca 0.08 -0.60 -0.03 0.00 0.02 0.00 0.00 56.10 55.58 1opk s TRP 118 Cb 0.10 -0.63 -0.01 0.00 -1.15 0.00 0.00 33.47 31.78 1opk s TRP 118 CO 0.57 0.04 0.04 0.00 0.02 0.00 0.00 176.95 177.62 1opk s GLU 120 N -1.56 4.27 0.17 0.00 2.12 0.46 -1.34 118.70 122.82 1opk s GLU 120 Ca -0.14 0.58 0.04 0.00 0.36 0.00 0.00 54.97 55.81 1opk s GLU 120 Cb -0.08 -3.52 -0.05 0.00 0.26 0.00 0.00 34.13 30.74 1opk s GLU 120 CO -0.00 -0.08 -0.07 0.00 -0.54 0.00 0.00 175.26 174.56 1opk s ALA 121 N 1.39 1.53 -0.03 6.30 0.00 -0.13 0.44 121.76 131.25 1opk s ALA 121 Ca 0.29 -1.57 0.06 0.00 0.00 0.00 0.00 51.96 50.74 1opk s ALA 121 Cb -0.16 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 1opk s ALA 121 CO 0.11 -0.15 -0.22 -0.65 0.00 0.00 0.00 175.76 174.85 1opk s GLN 122 N -3.79 2.02 0.36 0.00 -0.21 0.20 -1.37 119.66 116.87 1opk s GLN 122 Ca 0.20 -0.80 0.04 0.00 0.02 0.00 0.00 55.36 54.82 1opk s GLN 122 Cb 0.04 -1.84 -0.02 0.00 1.00 0.00 0.00 33.01 32.19 1opk s GLN 122 CO 0.03 0.42 0.15 0.25 -2.12 0.00 0.00 175.29 174.01 1opk n THR 123 N 2.74 0.00 0.41 -0.19 -2.24 0.52 -1.43 114.28 114.09 1opk n THR 123 Ca -0.16 -2.14 0.11 0.00 -2.27 0.00 0.00 64.05 59.59 1opk n THR 123 Cb 0.52 0.80 0.46 0.00 -2.10 0.00 0.00 70.33 70.01 1opk n THR 123 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1opk n LYS 124 N -0.79 0.16 -0.00 -0.78 4.76 -1.26 -2.82 118.16 117.42 1opk n LYS 124 Ca -0.04 0.40 -0.02 0.00 -2.87 0.00 0.00 58.31 55.78 1opk n LYS 124 Cb 0.55 -1.81 -0.11 0.00 -1.84 0.00 0.00 35.03 31.82 1opk n LYS 124 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1opk n ASN 125 N -2.10 0.60 0.00 4.39 3.02 -1.26 -5.08 115.26 114.83 1opk n ASN 125 Ca 0.02 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 1opk n ASN 125 Cb 0.21 0.50 0.00 0.00 -0.61 0.00 0.00 39.78 39.89 1opk n ASN 125 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1opk n GLY 126 N 1.46 -0.60 3.02 7.41 0.00 -1.13 -5.13 105.19 110.22 1opk n GLY 126 Ca -0.14 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 1opk n GLY 126 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1opk s GLN 127 N -1.01 0.16 0.00 1.61 0.74 -1.26 -0.35 119.66 119.55 1opk s GLN 127 Ca 0.00 0.20 0.00 0.00 0.05 0.00 0.00 55.36 55.61 1opk s GLN 127 Cb 0.00 0.08 0.00 0.00 1.10 0.00 0.00 33.01 34.19 1opk s GLN 127 CO 0.00 -0.02 0.00 0.41 -0.55 0.00 0.00 175.29 175.13 1opk n GLY 128 N 3.02 -1.74 3.76 2.59 0.00 -0.47 -4.80 105.19 107.54 1opk n GLY 128 Ca -0.13 -1.12 -0.40 0.00 0.00 0.00 0.00 46.02 44.38 1opk n GLY 128 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1opk s TRP 129 N -2.01 3.81 0.06 1.61 0.52 0.46 -0.96 118.94 122.43 1opk s TRP 129 Ca 0.00 1.54 0.01 0.00 0.02 0.00 0.00 56.10 57.67 1opk s TRP 129 Cb 0.00 -2.79 -0.03 0.00 -1.15 0.00 0.00 33.47 29.49 1opk s TRP 129 CO 0.00 0.38 -0.06 0.14 0.02 0.00 0.00 176.95 177.44 1opk s VAL 130 N -0.54 0.45 0.24 4.03 -7.23 -0.45 -0.87 120.40 116.04 1opk s VAL 130 Ca 0.37 -1.52 -0.30 0.00 -1.81 0.00 0.00 61.98 58.72 1opk s VAL 130 Cb -0.22 -1.13 -0.10 0.00 0.56 0.00 0.00 36.38 35.49 1opk s VAL 130 CO 0.24 -0.71 1.50 -2.84 -0.31 0.00 0.00 175.10 172.98 1opk s PRO 131 N -2.88 4.23 0.36 4.82 0.02 -1.26 -1.03 135.00 139.26 1opk s PRO 131 Ca 0.00 2.37 0.04 0.00 0.02 0.00 0.00 61.00 63.44 1opk s PRO 131 Cb -0.01 -3.10 0.68 0.00 0.02 0.00 0.00 34.50 32.10 1opk s PRO 131 CO -0.04 -0.50 1.97 0.77 -0.33 0.00 0.00 177.00 178.87 1opk h SER 132 N 5.34 0.56 -0.27 2.53 0.02 -1.23 -2.28 113.55 118.23 1opk h SER 132 Ca -0.46 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1opk h SER 132 Cb 1.22 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1opk h SER 132 CO 0.81 0.49 0.00 -0.46 -1.14 0.00 0.00 176.83 176.53 1opk n ASN 133 N -4.39 1.64 -0.26 3.07 0.23 -1.26 -3.11 115.26 111.19 1opk n ASN 133 Ca 0.03 -2.04 0.12 0.00 -0.53 0.00 0.00 54.58 52.16 1opk n ASN 133 Cb 0.13 -0.23 0.28 0.00 -2.08 0.00 0.00 39.78 37.88 1opk n ASN 133 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1opk n TYR 134 N 0.30 0.00 -4.30 -2.53 4.02 -0.86 -4.86 117.16 108.93 1opk n TYR 134 Ca 0.09 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.83 1opk n TYR 134 Cb 0.28 -0.11 -0.10 0.00 -0.02 0.00 0.00 39.34 39.39 1opk n TYR 134 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 1opk s ILE 135 N -2.56 0.83 0.03 -0.72 -4.36 -1.18 -0.29 121.20 112.94 1opk s ILE 135 Ca 0.21 -2.01 -0.16 0.00 -0.26 0.00 0.00 60.65 58.43 1opk s ILE 135 Cb 0.19 -2.32 0.03 0.00 1.25 0.00 0.00 42.46 41.61 1opk s ILE 135 CO 0.56 -0.32 0.37 0.28 0.24 0.00 0.00 174.94 176.06 1opk s THR 136 N -3.56 0.06 0.45 8.37 -1.32 -0.49 -4.88 115.64 114.28 1opk s THR 136 Ca 0.28 -0.52 -0.25 0.00 -1.21 0.00 0.00 61.69 59.99 1opk s THR 136 Cb 0.06 -0.89 -0.08 0.00 -1.51 0.00 0.00 72.50 70.08 1opk s THR 136 CO 0.08 -0.29 1.40 -2.65 -2.21 0.00 0.00 174.62 170.95 1opk n PRO 137 N 0.67 2.15 0.29 7.08 -0.02 -1.26 -0.06 135.00 143.85 1opk n PRO 137 Ca -0.19 0.77 0.14 0.00 -2.02 0.00 0.00 63.50 62.20 1opk n PRO 137 Cb 0.59 -2.58 0.86 0.00 -0.02 0.00 0.00 33.50 32.35 1opk n PRO 137 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1opk h VAL 138 N 2.18 0.55 -2.37 -1.45 2.07 0.04 -2.77 116.25 114.49 1opk h VAL 138 Ca -0.50 -0.15 -0.80 0.00 0.82 0.00 0.00 66.70 66.07 1opk h VAL 138 Cb 1.28 1.10 -0.25 0.00 -1.52 0.00 0.00 31.29 31.89 1opk h VAL 138 CO 0.60 0.03 1.14 -3.20 0.02 0.00 0.00 177.57 176.17 1opk n ASN 139 N -3.80 6.79 -3.65 0.57 5.15 -1.26 -4.91 115.26 114.14 1opk n ASN 139 Ca -0.03 -3.46 -0.13 0.00 -0.60 0.00 0.00 54.58 50.35 1opk n ASN 139 Cb 0.12 -1.26 -0.06 0.00 -0.53 0.00 0.00 39.78 38.05 1opk n ASN 139 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1opk s SER 140 N -1.20 -0.33 0.41 1.20 1.04 -1.05 -5.06 113.70 108.72 1opk s SER 140 Ca 0.37 0.11 0.22 0.00 0.48 0.00 0.00 55.95 57.12 1opk s SER 140 Cb 0.12 0.43 0.82 0.00 0.10 0.00 0.00 66.02 67.49 1opk s SER 140 CO -0.00 -0.64 1.79 -0.07 0.98 0.00 0.00 173.24 175.30 1opk h LEU 141 N 3.09 0.00 -1.69 2.42 3.38 -1.91 -3.23 115.31 117.37 1opk h LEU 141 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1opk h LEU 141 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1opk h LEU 141 CO 0.42 0.28 0.00 -0.33 0.09 0.00 0.00 178.44 178.91 1opk h GLU 142 N 0.00 0.00 0.00 1.13 3.07 -1.91 -2.24 114.58 114.62 1opk h GLU 142 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1opk h GLU 142 Cb 0.80 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 1opk h GLU 142 CO 0.04 0.00 0.00 1.57 -1.40 0.00 0.00 179.01 179.22 1opk h LYS 143 N 0.00 0.00 -6.34 2.33 2.10 -1.86 -3.44 116.57 109.36 1opk h LYS 143 Ca 0.00 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.11 1opk h LYS 143 Cb 0.04 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.34 1opk h LYS 143 CO 0.00 0.00 0.23 -1.01 -2.00 0.00 0.00 179.45 176.67 1opk s HIS 144 N -3.56 3.72 0.49 0.07 3.76 -0.84 -4.95 115.29 113.98 1opk s HIS 144 Ca 0.02 1.56 0.14 0.00 -0.15 0.00 0.00 55.06 56.63 1opk s HIS 144 Cb 0.09 -2.92 1.15 0.00 1.11 0.00 0.00 32.58 32.01 1opk s HIS 144 CO 0.47 0.19 2.11 0.66 -0.85 0.00 0.00 174.74 177.32 1opk h SER 145 N 5.97 0.09 0.89 1.40 4.64 -1.90 -1.78 113.55 122.87 1opk h SER 145 Ca -0.43 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1opk h SER 145 Cb 1.21 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1opk h SER 145 CO 0.72 0.09 -0.13 -2.67 -0.87 0.00 0.00 176.83 173.97 1opk n TRP 146 N -4.50 0.04 -3.03 4.77 4.27 -1.26 -4.62 117.44 113.11 1opk n TRP 146 Ca -0.02 0.01 -0.43 0.00 -3.89 0.00 0.00 57.50 53.17 1opk n TRP 146 Cb 0.11 -0.45 -0.06 0.00 -1.36 0.00 0.00 31.31 29.55 1opk n TRP 146 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 1opk s TYR 147 N -3.01 3.01 -2.24 -2.67 5.04 -0.67 -0.40 117.35 116.42 1opk s TYR 147 Ca 0.13 0.01 0.22 0.00 -2.44 0.00 0.00 57.07 54.99 1opk s TYR 147 Cb 0.18 -3.55 0.44 0.00 0.35 0.00 0.00 41.96 39.38 1opk s TYR 147 CO 0.58 -0.97 1.39 0.72 -1.34 0.00 0.00 175.55 175.93 1opk n HIS 148 N 6.55 0.55 -4.45 4.97 8.25 -0.21 -4.78 115.22 126.10 1opk n HIS 148 Ca 0.00 -0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 1opk n HIS 148 Cb 0.48 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 1opk n HIS 148 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1opk n GLY 149 N 1.43 3.01 3.57 -1.41 0.00 -1.25 -4.31 105.19 106.23 1opk n GLY 149 Ca 0.19 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1opk n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1opk s PRO 150 N 0.00 2.82 -0.02 1.61 0.04 -1.26 -0.41 135.00 137.77 1opk s PRO 150 Ca 0.00 -0.79 0.04 0.00 0.04 0.00 0.00 61.00 60.29 1opk s PRO 150 Cb 0.00 -5.20 -0.00 0.00 0.04 0.00 0.00 34.50 29.34 1opk s PRO 150 CO 0.00 -3.27 -0.12 0.08 0.04 0.00 0.00 177.00 173.73 1opk s VAL 151 N 9.07 1.02 0.74 -0.36 1.01 -1.25 -4.98 120.40 125.65 1opk s VAL 151 Ca 0.65 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 62.00 1opk s VAL 151 Cb -0.03 -0.87 0.05 0.00 0.00 0.00 0.00 36.38 35.53 1opk s VAL 151 CO 0.02 0.30 1.11 -0.94 0.00 0.00 0.00 175.10 175.59 1opk s SER 152 N -0.10 4.95 0.16 3.32 1.04 -1.26 -4.52 113.70 117.29 1opk s SER 152 Ca 0.01 0.85 -0.16 0.00 0.48 0.00 0.00 55.95 57.13 1opk s SER 152 Cb -0.07 -1.51 0.08 0.00 0.10 0.00 0.00 66.02 64.62 1opk s SER 152 CO 0.00 -1.61 1.71 -0.09 0.98 0.00 0.00 173.24 174.24 1opk h ARG 153 N -0.79 0.12 -0.52 4.02 2.43 -1.96 0.11 114.38 117.79 1opk h ARG 153 Ca -0.45 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 58.63 1opk h ARG 153 Cb 1.30 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.80 1opk h ARG 153 CO 0.64 0.08 -0.01 -0.91 -1.51 0.00 0.00 179.97 178.26 1opk h ASN 154 N 0.13 0.86 -0.43 -3.80 2.35 -1.93 -1.82 115.58 110.93 1opk h ASN 154 Ca 0.18 -0.23 -0.10 0.00 -0.55 0.00 0.00 56.30 55.60 1opk h ASN 154 Cb 0.23 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1opk h ASN 154 CO -0.28 0.93 -0.10 0.00 -1.65 0.00 0.00 177.43 176.33 1opk h ALA 155 N 1.16 0.90 -0.69 -0.83 0.00 -1.79 -2.22 119.26 115.79 1opk h ALA 155 Ca 0.15 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1opk h ALA 155 Cb 0.50 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1opk h ALA 155 CO 0.03 0.63 0.41 0.00 0.00 0.00 0.00 179.25 180.32 1opk h ALA 156 N 1.08 0.88 -0.27 0.00 0.00 -0.47 0.09 119.26 120.57 1opk h ALA 156 Ca 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1opk h ALA 156 Cb 0.62 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1opk h ALA 156 CO 0.04 0.36 0.05 0.93 0.00 0.00 0.00 179.25 180.63 1opk h GLU 157 N 0.94 0.39 -0.11 0.00 5.08 -1.00 -1.26 114.58 118.62 1opk h GLU 157 Ca 0.25 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.51 1opk h GLU 157 Cb -0.02 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 1opk h GLU 157 CO -0.05 0.38 -0.07 -0.92 -1.00 0.00 0.00 179.01 177.35 1opk h TYR 158 N 0.38 0.28 -0.85 4.33 3.20 -0.65 -2.19 116.97 121.48 1opk h TYR 158 Ca 0.09 -0.08 0.06 0.00 3.14 0.00 0.00 58.73 61.95 1opk h TYR 158 Cb 0.19 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.34 1opk h TYR 158 CO 0.00 0.62 0.55 -0.07 -1.64 0.00 0.00 178.16 177.62 1opk h LEU 159 N -0.13 0.83 -0.38 2.82 3.38 -0.56 -0.93 115.31 120.33 1opk h LEU 159 Ca 0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1opk h LEU 159 Cb 0.55 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1opk h LEU 159 CO 0.02 0.53 -0.08 0.18 0.09 0.00 0.00 178.44 179.18 1opk n LEU 160 N -4.49 0.68 0.24 1.67 4.77 -0.52 -3.58 117.00 115.77 1opk n LEU 160 Ca 0.13 -0.13 0.16 0.00 -0.03 0.00 0.00 56.01 56.13 1opk n LEU 160 Cb 0.21 -0.11 0.60 0.00 -2.33 0.00 0.00 43.42 41.79 1opk n LEU 160 CO 0.33 0.12 0.95 0.77 -1.33 0.00 0.00 177.39 178.23 1opk h SER 161 N 0.93 0.00 -0.39 -1.43 4.64 -0.50 -2.44 113.55 114.36 1opk h SER 161 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1opk h SER 161 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1opk h SER 161 CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 1opk n SER 162 N -2.87 3.02 -0.67 4.97 3.41 -1.23 -4.97 113.62 115.27 1opk n SER 162 Ca 0.01 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 1opk n SER 162 Cb 0.31 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1opk n SER 162 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1opk n GLY 163 N 1.42 1.40 2.96 5.00 0.00 -0.92 -5.15 105.19 109.90 1opk n GLY 163 Ca 0.19 -1.92 -0.19 0.00 0.00 0.00 0.00 46.02 44.11 1opk n GLY 163 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1opk n ILE 164 N 0.00 0.00 -1.70 -0.61 -5.35 -1.26 -5.04 119.36 105.41 1opk n ILE 164 Ca 0.00 -2.23 -0.44 0.00 -0.27 0.00 0.00 62.75 59.81 1opk n ILE 164 Cb 0.00 1.07 -0.03 0.00 -1.74 0.00 0.00 39.64 38.94 1opk n ILE 164 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1opk n ASN 165 N -1.77 3.46 0.00 7.28 4.13 -1.26 -1.48 115.26 125.62 1opk n ASN 165 Ca 0.06 1.09 0.00 0.00 1.68 0.00 0.00 54.58 57.41 1opk n ASN 165 Cb 0.55 -1.50 0.00 0.00 -1.54 0.00 0.00 39.78 37.30 1opk n ASN 165 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1opk n GLY 166 N 3.29 0.85 3.76 7.41 0.00 -0.38 -4.88 105.19 115.25 1opk n GLY 166 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1opk n GLY 166 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1opk s SER 167 N -2.77 7.08 0.29 1.61 0.01 -0.55 -1.29 113.70 118.08 1opk s SER 167 Ca 0.00 2.42 -0.19 0.00 1.31 0.00 0.00 55.95 59.49 1opk s SER 167 Cb 0.00 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.62 1opk s SER 167 CO 0.00 -0.29 0.70 0.72 0.41 0.00 0.00 173.24 174.77 1opk s PHE 168 N -1.16 -0.09 0.17 2.43 -0.71 -0.64 -1.26 117.98 116.72 1opk s PHE 168 Ca 0.46 -0.38 -0.21 0.00 -1.04 0.00 0.00 56.93 55.77 1opk s PHE 168 Cb -0.35 0.65 0.05 0.00 -1.21 0.00 0.00 43.02 42.17 1opk s PHE 168 CO 0.45 -1.24 0.56 -0.48 -1.34 0.00 0.00 175.22 173.17 1opk s LEU 169 N -2.95 -0.25 -0.09 -1.99 0.05 -0.53 -0.84 118.68 112.08 1opk s LEU 169 Ca 0.13 -0.20 0.03 0.00 0.05 0.00 0.00 54.13 54.14 1opk s LEU 169 Cb -0.05 2.39 -0.01 0.00 -2.05 0.00 0.00 46.19 46.47 1opk s LEU 169 CO 0.08 -1.00 -0.18 -0.69 -0.55 0.00 0.00 176.35 174.01 1opk s VAL 170 N -3.80 2.69 0.20 1.48 1.01 0.46 -0.93 120.40 121.52 1opk s VAL 170 Ca 0.04 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.23 1opk s VAL 170 Cb -0.01 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 1opk s VAL 170 CO -0.09 0.56 -0.03 0.00 0.00 0.00 0.00 175.10 175.54 1opk s ARG 171 N -0.04 1.23 0.16 2.72 1.70 -0.25 -1.04 118.95 123.43 1opk s ARG 171 Ca -0.05 -1.60 0.11 0.00 -0.47 0.00 0.00 55.73 53.73 1opk s ARG 171 Cb -0.14 -0.57 -0.04 0.00 -0.57 0.00 0.00 34.95 33.62 1opk s ARG 171 CO 0.04 -0.06 -0.25 -2.00 -1.08 0.00 0.00 175.30 171.96 1opk s GLU 172 N -3.84 1.48 0.18 3.89 2.12 0.45 -1.24 118.70 121.74 1opk s GLU 172 Ca 0.25 -1.43 -0.30 0.00 0.36 0.00 0.00 54.97 53.85 1opk s GLU 172 Cb 0.05 -1.88 -0.08 0.00 0.26 0.00 0.00 34.13 32.48 1opk s GLU 172 CO 0.06 0.43 1.11 0.45 -0.54 0.00 0.00 175.26 176.77 1opk s SER 173 N -2.38 7.24 -0.01 -1.70 0.15 0.17 -3.80 113.70 113.37 1opk s SER 173 Ca 0.18 2.11 -0.21 0.00 0.70 0.00 0.00 55.95 58.73 1opk s SER 173 Cb -0.09 -2.60 -0.25 0.00 -1.71 0.00 0.00 66.02 61.36 1opk s SER 173 CO 0.08 -0.24 1.05 1.05 1.20 0.00 0.00 173.24 176.38 1opk h GLU 174 N 5.09 0.37 0.71 5.44 9.09 -1.91 -3.31 114.58 130.07 1opk h GLU 174 Ca -0.44 -0.44 -0.03 0.00 0.05 0.00 0.00 59.36 58.49 1opk h GLU 174 Cb 1.21 0.14 0.01 0.00 -1.65 0.00 0.00 28.75 28.46 1opk h GLU 174 CO 0.72 1.13 -0.34 0.66 0.05 0.00 0.00 179.01 181.23 1opk h SER 175 N -0.19 -0.80 -3.91 3.06 4.64 -2.00 -3.38 113.55 110.97 1opk h SER 175 Ca -0.09 0.00 -0.75 0.00 -0.47 0.00 0.00 61.79 60.49 1opk h SER 175 Cb 1.38 0.21 -0.31 0.00 -0.31 0.00 0.00 62.40 63.37 1opk h SER 175 CO 0.12 -0.46 -0.07 -0.94 -0.87 0.00 0.00 176.83 174.61 1opk s SER 176 N -4.45 6.14 0.59 4.97 1.04 -1.26 -5.07 113.70 115.65 1opk s SER 176 Ca -0.16 -2.91 -0.18 0.00 0.48 0.00 0.00 55.95 53.18 1opk s SER 176 Cb 0.02 -2.05 -0.07 0.00 0.10 0.00 0.00 66.02 64.03 1opk s SER 176 CO 0.50 -0.44 0.70 -2.65 0.98 0.00 0.00 173.24 172.33 1opk n PRO 177 N 3.54 0.65 0.00 4.02 -0.02 -1.24 -2.74 135.00 139.21 1opk n PRO 177 Ca 0.13 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1opk n PRO 177 Cb 0.42 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1opk n PRO 177 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1opk n GLY 178 N 1.58 2.96 3.55 -1.23 0.00 -1.26 -5.00 105.19 105.79 1opk n GLY 178 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1opk n GLY 178 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1opk s GLN 179 N -0.54 3.53 0.23 1.61 -1.52 -1.11 -5.00 119.66 116.86 1opk s GLN 179 Ca 0.00 -0.11 0.10 0.00 -1.95 0.00 0.00 55.36 53.40 1opk s GLN 179 Cb 0.00 -3.86 -0.04 0.00 -0.22 0.00 0.00 33.01 28.88 1opk s GLN 179 CO 0.00 -0.84 -0.13 1.03 -0.25 0.00 0.00 175.29 175.11 1opk s ARG 180 N 2.74 1.92 0.05 2.91 0.52 -1.26 -0.66 118.95 125.18 1opk s ARG 180 Ca 0.24 -1.49 -0.04 0.00 -0.52 0.00 0.00 55.73 53.91 1opk s ARG 180 Cb -0.14 -1.99 -0.02 0.00 0.52 0.00 0.00 34.95 33.31 1opk s ARG 180 CO 0.16 0.38 0.06 -1.12 0.02 0.00 0.00 175.30 174.81 1opk s SER 181 N -3.22 0.29 -0.12 0.23 0.01 -0.38 -1.11 113.70 109.40 1opk s SER 181 Ca 0.27 -0.74 -0.03 0.00 1.31 0.00 0.00 55.95 56.76 1opk s SER 181 Cb -0.07 0.23 -0.03 0.00 0.21 0.00 0.00 66.02 66.36 1opk s SER 181 CO 0.15 -0.58 -0.01 -0.63 0.41 0.00 0.00 173.24 172.58 1opk s ILE 182 N -3.33 4.17 -0.13 1.44 1.01 0.64 -1.09 121.20 123.92 1opk s ILE 182 Ca 0.01 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.40 1opk s ILE 182 Cb 0.03 -2.79 -0.00 0.00 0.01 0.00 0.00 42.46 39.70 1opk s ILE 182 CO -0.08 0.54 -0.18 -0.44 0.00 0.00 0.00 174.94 174.78 1opk s SER 183 N -0.25 3.52 -0.01 3.58 0.01 -0.11 -0.57 113.70 119.87 1opk s SER 183 Ca 0.05 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 56.85 1opk s SER 183 Cb -0.12 -1.51 0.01 0.00 0.21 0.00 0.00 66.02 64.60 1opk s SER 183 CO 0.02 0.13 -0.03 -0.22 0.41 0.00 0.00 173.24 173.56 1opk s LEU 184 N 0.52 1.68 -0.11 2.44 2.96 0.47 -1.46 118.68 125.17 1opk s LEU 184 Ca -0.12 -0.06 -0.12 0.00 -0.22 0.00 0.00 54.13 53.61 1opk s LEU 184 Cb -0.16 -0.22 -0.05 0.00 0.50 0.00 0.00 46.19 46.25 1opk s LEU 184 CO 0.05 -0.01 0.29 -0.60 -1.32 0.00 0.00 176.35 174.75 1opk s ARG 185 N 0.35 3.98 -0.22 1.98 3.52 -0.39 0.57 118.95 128.74 1opk s ARG 185 Ca -0.04 0.13 -0.09 0.00 -0.13 0.00 0.00 55.73 55.60 1opk s ARG 185 Cb -0.07 -3.32 0.09 0.00 -1.56 0.00 0.00 34.95 30.10 1opk s ARG 185 CO -0.01 0.49 0.48 -0.47 -0.81 0.00 0.00 175.30 174.98 1opk s TYR 186 N -0.30 -0.87 -1.32 5.12 5.04 0.11 -1.25 117.35 123.89 1opk s TYR 186 Ca 0.18 1.66 -0.04 0.00 -2.44 0.00 0.00 57.07 56.43 1opk s TYR 186 Cb -0.14 0.41 -0.00 0.00 0.35 0.00 0.00 41.96 42.58 1opk s TYR 186 CO 0.06 -0.49 0.59 0.39 -1.34 0.00 0.00 175.55 174.77 1opk n GLU 187 N 5.05 -3.52 -0.78 4.97 -0.58 -1.26 -1.81 120.64 122.71 1opk n GLU 187 Ca -0.13 0.50 0.00 0.00 -0.42 0.00 0.00 57.16 57.11 1opk n GLU 187 Cb 0.52 -4.72 0.00 0.00 -0.57 0.00 0.00 31.44 26.66 1opk n GLU 187 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1opk n GLY 188 N -1.77 0.51 3.52 0.62 0.00 -1.26 -4.99 105.19 101.82 1opk n GLY 188 Ca -0.27 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 1opk n GLY 188 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1opk s ARG 189 N -0.51 1.89 -0.19 1.61 0.52 -0.75 -5.12 118.95 116.40 1opk s ARG 189 Ca 0.00 -1.28 -0.05 0.00 -0.52 0.00 0.00 55.73 53.88 1opk s ARG 189 Cb 0.00 -2.09 -0.02 0.00 0.52 0.00 0.00 34.95 33.35 1opk s ARG 189 CO 0.00 0.44 -0.01 0.08 0.02 0.00 0.00 175.30 175.83 1opk s VAL 190 N -1.52 3.90 -0.12 3.52 1.01 -1.26 -0.71 120.40 125.20 1opk s VAL 190 Ca 0.22 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 1opk s VAL 190 Cb -0.09 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1opk s VAL 190 CO 0.13 0.44 0.08 -0.31 0.00 0.00 0.00 175.10 175.44 1opk s TYR 191 N 0.89 3.40 -0.11 5.22 1.51 0.19 -4.90 117.35 123.55 1opk s TYR 191 Ca 0.01 0.34 0.03 0.00 -1.01 0.00 0.00 57.07 56.44 1opk s TYR 191 Cb -0.14 -1.93 -0.00 0.00 -0.11 0.00 0.00 41.96 39.78 1opk s TYR 191 CO 0.02 0.54 -0.21 -1.01 -1.11 0.00 0.00 175.55 173.78 1opk s HIS 192 N -0.69 2.63 -0.09 2.71 3.76 -1.26 -0.40 115.29 121.95 1opk s HIS 192 Ca 0.12 -0.96 0.03 0.00 -0.15 0.00 0.00 55.06 54.09 1opk s HIS 192 Cb -0.12 -1.75 0.01 0.00 1.11 0.00 0.00 32.58 31.83 1opk s HIS 192 CO 0.03 -0.38 -0.17 0.71 -0.85 0.00 0.00 174.74 174.08 1opk s TYR 193 N 0.38 1.95 0.27 1.40 2.02 0.27 -4.97 117.35 118.66 1opk s TYR 193 Ca -0.16 -0.82 -0.29 0.00 -0.37 0.00 0.00 57.07 55.42 1opk s TYR 193 Cb -0.17 -1.38 -0.09 0.00 -0.40 0.00 0.00 41.96 39.92 1opk s TYR 193 CO 0.08 -0.39 0.99 0.50 -1.57 0.00 0.00 175.55 175.16 1opk s ARG 194 N 0.70 4.73 -0.30 -0.62 3.52 -1.26 -0.26 118.95 125.45 1opk s ARG 194 Ca -0.13 1.56 -0.17 0.00 -0.13 0.00 0.00 55.73 56.87 1opk s ARG 194 Cb -0.16 -3.16 -0.02 0.00 -1.56 0.00 0.00 34.95 30.05 1opk s ARG 194 CO 0.03 0.37 0.45 0.42 -0.81 0.00 0.00 175.30 175.76 1opk s ILE 195 N -1.25 5.10 0.37 4.11 1.01 -0.27 -4.72 121.20 125.55 1opk s ILE 195 Ca 0.44 0.50 -0.09 0.00 0.00 0.00 0.00 60.65 61.50 1opk s ILE 195 Cb -0.27 -3.83 -0.06 0.00 0.01 0.00 0.00 42.46 38.32 1opk s ILE 195 CO 0.33 -0.01 0.70 0.20 0.00 0.00 0.00 174.94 176.17 1opk s ASN 196 N 1.67 6.49 -0.09 3.58 0.01 -0.06 -4.55 114.94 121.98 1opk s ASN 196 Ca 0.17 1.00 0.03 0.00 -0.71 0.00 0.00 52.86 53.34 1opk s ASN 196 Cb -0.16 -2.27 0.01 0.00 0.41 0.00 0.00 41.25 39.25 1opk s ASN 196 CO 0.11 -0.35 -0.17 -0.89 -1.51 0.00 0.00 177.10 174.30 1opk s THR 197 N -2.30 1.56 0.83 1.60 2.01 -1.26 -1.21 115.64 116.87 1opk s THR 197 Ca 0.49 -0.71 -0.12 0.00 0.31 0.00 0.00 61.69 61.66 1opk s THR 197 Cb -0.10 -1.40 0.10 0.00 0.01 0.00 0.00 72.50 71.11 1opk s THR 197 CO 0.31 0.45 1.19 0.00 -0.69 0.00 0.00 174.62 175.88 1opk s ALA 198 N 0.70 2.63 0.55 7.40 0.00 0.91 -4.90 121.76 129.06 1opk s ALA 198 Ca -0.13 -0.78 0.22 0.00 0.00 0.00 0.00 51.96 51.27 1opk s ALA 198 Cb -0.16 -2.89 1.47 0.00 0.00 0.00 0.00 23.12 21.55 1opk s ALA 198 CO 0.03 -1.77 2.17 0.66 0.00 0.00 0.00 175.76 176.84 1opk h SER 199 N -1.11 0.00 -0.55 0.00 4.64 -2.01 0.44 113.55 114.96 1opk h SER 199 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1opk h SER 199 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1opk h SER 199 CO 0.60 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.66 1opk n ASP 200 N -4.26 3.83 0.00 4.97 5.75 -1.26 -4.93 116.55 120.65 1opk n ASP 200 Ca -0.02 -2.28 0.00 0.00 -0.01 0.00 0.00 54.79 52.48 1opk n ASP 200 Cb 0.15 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 1opk n ASP 200 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1opk n GLY 201 N 1.10 1.99 3.75 6.12 0.00 0.15 -5.04 105.19 113.26 1opk n GLY 201 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1opk n GLY 201 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1opk s LYS 202 N -0.42 2.86 0.00 1.61 1.02 -1.26 -4.58 119.74 118.97 1opk s LYS 202 Ca 0.00 1.85 0.02 0.00 0.02 0.00 0.00 55.97 57.86 1opk s LYS 202 Cb 0.00 -1.91 -0.03 0.00 -0.52 0.00 0.00 37.83 35.36 1opk s LYS 202 CO 0.00 -1.30 -0.03 -0.51 -0.92 0.00 0.00 175.35 172.59 1opk s LEU 203 N -4.20 3.36 0.09 3.17 1.02 0.69 -0.06 118.68 122.76 1opk s LEU 203 Ca 0.78 -0.07 -0.26 0.00 0.02 0.00 0.00 54.13 54.60 1opk s LEU 203 Cb -0.31 -1.93 0.07 0.00 0.02 0.00 0.00 46.19 44.04 1opk s LEU 203 CO 0.35 0.28 0.63 -0.72 0.02 0.00 0.00 176.35 176.91 1opk s TYR 204 N -1.05 -0.58 -0.21 0.29 1.13 -0.35 -1.09 117.35 115.49 1opk s TYR 204 Ca 0.18 0.59 -0.07 0.00 -1.41 0.00 0.00 57.07 56.36 1opk s TYR 204 Cb -0.11 0.51 -0.10 0.00 -1.10 0.00 0.00 41.96 41.16 1opk s TYR 204 CO 0.09 -0.77 -0.25 0.28 -2.51 0.00 0.00 175.55 172.39 1opk n VAL 205 N 0.04 1.15 -3.96 -3.49 0.31 -1.26 -0.89 118.33 110.23 1opk n VAL 205 Ca -0.18 -0.33 -0.35 0.00 -0.01 0.00 0.00 64.34 63.47 1opk n VAL 205 Cb 0.62 -1.62 -0.11 0.00 -0.91 0.00 0.00 33.84 31.82 1opk n VAL 205 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1opk s SER 206 N -6.63 5.38 0.55 4.52 0.01 -1.26 -4.90 113.70 111.37 1opk s SER 206 Ca -0.29 -0.04 0.31 0.00 1.31 0.00 0.00 55.95 57.24 1opk s SER 206 Cb 0.10 -1.94 1.47 0.00 0.21 0.00 0.00 66.02 65.87 1opk s SER 206 CO 0.39 0.09 1.87 -1.28 0.41 0.00 0.00 173.24 174.73 1opk h SER 207 N 7.28 0.00 0.94 2.44 0.87 -1.96 0.10 113.55 123.22 1opk h SER 207 Ca -0.36 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1opk h SER 207 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1opk h SER 207 CO 0.64 0.00 0.00 -1.84 -0.53 0.00 0.00 176.83 175.10 1opk n GLU 208 N -4.13 0.12 -3.69 2.24 0.00 -1.26 -4.44 120.64 109.48 1opk n GLU 208 Ca 0.17 0.22 -0.30 0.00 0.00 0.00 0.00 57.16 57.26 1opk n GLU 208 Cb 0.94 -1.68 -0.13 0.00 0.00 0.00 0.00 31.44 30.56 1opk n GLU 208 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1opk s SER 209 N -3.73 3.69 0.03 -1.84 0.01 0.35 -5.11 113.70 107.10 1opk s SER 209 Ca 0.09 -2.28 0.03 0.00 1.31 0.00 0.00 55.95 55.11 1opk s SER 209 Cb 0.13 -0.91 -0.04 0.00 0.21 0.00 0.00 66.02 65.41 1opk s SER 209 CO 0.45 -0.32 -0.03 -0.13 0.41 0.00 0.00 173.24 173.63 1opk s ARG 210 N 0.82 2.61 0.09 12.44 0.52 -1.26 -4.45 118.95 129.72 1opk s ARG 210 Ca 0.15 -0.73 0.04 0.00 -0.52 0.00 0.00 55.73 54.67 1opk s ARG 210 Cb -0.22 -2.56 -0.04 0.00 0.52 0.00 0.00 34.95 32.65 1opk s ARG 210 CO -0.07 0.59 -0.10 -0.06 0.02 0.00 0.00 175.30 175.68 1opk s PHE 211 N -1.13 1.05 0.26 -0.53 0.08 -0.25 -4.91 117.98 112.54 1opk s PHE 211 Ca 0.21 -0.64 0.08 0.00 0.12 0.00 0.00 56.93 56.69 1opk s PHE 211 Cb -0.11 -0.58 0.31 0.00 -0.57 0.00 0.00 43.02 42.07 1opk s PHE 211 CO 0.12 -0.00 1.59 -0.91 -0.10 0.00 0.00 175.22 175.91 1opk h ASN 212 N 3.63 0.11 -3.98 1.36 4.21 -1.92 0.20 115.58 119.19 1opk h ASN 212 Ca -0.37 -0.07 -0.34 0.00 1.21 0.00 0.00 56.30 56.73 1opk h ASN 212 Cb 1.19 -0.03 -0.15 0.00 -1.12 0.00 0.00 38.32 38.21 1opk h ASN 212 CO 0.52 0.70 -0.69 0.42 -1.29 0.00 0.00 177.43 177.08 1opk s THR 213 N -3.67 1.10 0.14 2.81 -4.23 -1.26 -4.75 115.64 105.78 1opk s THR 213 Ca -0.02 -2.05 -0.17 0.00 -1.18 0.00 0.00 61.69 58.27 1opk s THR 213 Cb 0.12 -2.00 -0.01 0.00 1.34 0.00 0.00 72.50 71.95 1opk s THR 213 CO 0.78 -0.61 1.75 0.25 -0.54 0.00 0.00 174.62 176.25 1opk h LEU 214 N 2.69 0.45 -0.96 4.79 6.46 -1.97 -2.36 115.31 124.41 1opk h LEU 214 Ca -0.37 -0.07 0.04 0.00 -0.12 0.00 0.00 57.88 57.36 1opk h LEU 214 Cb 1.20 -0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 40.96 1opk h LEU 214 CO 0.64 0.40 0.63 0.00 -0.62 0.00 0.00 178.44 179.48 1opk h ALA 215 N 1.08 1.29 -0.52 1.25 0.00 -1.99 -0.85 119.26 119.52 1opk h ALA 215 Ca 0.13 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1opk h ALA 215 Cb 0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1opk h ALA 215 CO -0.02 0.48 0.06 0.93 0.00 0.00 0.00 179.25 180.69 1opk h GLU 216 N 1.19 0.85 -0.39 0.00 5.08 -1.90 -0.25 114.58 119.16 1opk h GLU 216 Ca 0.39 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1opk h GLU 216 Cb 0.05 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1opk h GLU 216 CO -0.14 0.81 0.12 1.25 -1.00 0.00 0.00 179.01 180.06 1opk h LEU 217 N 0.80 0.56 -0.56 1.33 5.85 -0.83 -0.86 115.31 121.60 1opk h LEU 217 Ca 0.16 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1opk h LEU 217 Cb 0.40 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1opk h LEU 217 CO 0.01 0.61 0.14 0.58 -0.34 0.00 0.00 178.44 179.45 1opk h VAL 218 N 0.48 1.24 -0.59 1.05 2.07 -0.93 -1.87 116.25 117.70 1opk h VAL 218 Ca 0.13 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1opk h VAL 218 Cb 0.25 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1opk h VAL 218 CO -0.00 0.32 0.25 0.45 0.02 0.00 0.00 177.57 178.61 1opk h HIS 219 N 0.79 0.85 -0.09 1.57 3.86 -0.87 0.21 115.15 121.47 1opk h HIS 219 Ca 0.18 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1opk h HIS 219 Cb 0.33 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.53 1opk h HIS 219 CO 0.02 0.64 0.00 1.25 0.86 0.00 0.00 177.93 180.71 1opk h HIS 220 N 0.84 0.16 0.00 2.45 6.17 -0.80 -2.83 115.15 121.14 1opk h HIS 220 Ca 0.20 -0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.26 1opk h HIS 220 Cb 0.14 -0.04 0.00 0.00 2.52 0.00 0.00 27.41 30.03 1opk h HIS 220 CO 0.01 0.39 0.00 0.72 0.71 0.00 0.00 177.93 179.76 1opk n HIS 221 N -4.85 0.00 0.42 5.26 8.25 -0.74 -1.86 115.22 121.70 1opk n HIS 221 Ca -0.06 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.52 1opk n HIS 221 Cb 0.18 -0.26 0.30 0.00 1.12 0.00 0.00 29.99 31.33 1opk n HIS 221 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1opk h SER 222 N 0.00 0.00 0.00 0.41 0.02 -0.70 -1.10 113.55 112.18 1opk h SER 222 Ca 0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 1opk h SER 222 Cb 0.20 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 1opk h SER 222 CO 0.00 0.00 -1.83 0.35 -1.14 0.00 0.00 176.83 174.21 1opk n THR 223 N -2.69 0.84 -4.15 -2.27 -2.24 -0.78 -4.50 114.28 98.49 1opk n THR 223 Ca 0.05 -0.42 -0.16 0.00 -2.27 0.00 0.00 64.05 61.24 1opk n THR 223 Cb 0.47 -0.85 -0.15 0.00 -2.10 0.00 0.00 70.33 67.71 1opk n THR 223 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1opk s VAL 224 N -2.29 0.41 0.18 2.28 -7.23 -1.04 -5.02 120.40 107.69 1opk s VAL 224 Ca -0.13 -0.19 -0.13 0.00 -1.81 0.00 0.00 61.98 59.72 1opk s VAL 224 Cb 0.04 -0.37 0.09 0.00 0.56 0.00 0.00 36.38 36.71 1opk s VAL 224 CO 0.42 0.13 1.83 0.00 -0.31 0.00 0.00 175.10 177.18 1opk h ALA 225 N 6.22 0.77 -7.02 1.32 0.00 -1.82 -3.37 119.26 115.37 1opk h ALA 225 Ca -0.30 -0.06 -0.60 0.00 0.00 0.00 0.00 54.91 53.95 1opk h ALA 225 Cb 1.18 -0.24 -0.13 0.00 0.00 0.00 0.00 17.79 18.60 1opk h ALA 225 CO 0.50 0.23 -0.97 -3.47 0.00 0.00 0.00 179.25 175.54 1opk n ASP 226 N -4.64 -1.14 0.00 0.00 2.03 -1.26 -1.29 116.55 110.25 1opk n ASP 226 Ca 0.04 -1.27 0.00 0.00 0.52 0.00 0.00 54.79 54.08 1opk n ASP 226 Cb 0.04 -1.55 0.00 0.00 -0.72 0.00 0.00 41.12 38.89 1opk n ASP 226 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1opk n GLY 227 N -2.36 1.36 3.89 0.27 0.00 -1.26 -4.64 105.19 102.44 1opk n GLY 227 Ca -0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 1opk n GLY 227 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1opk s LEU 228 N 0.00 3.55 0.46 0.99 1.43 -0.41 -4.97 118.68 119.73 1opk s LEU 228 Ca 0.00 1.10 0.12 0.00 -1.03 0.00 0.00 54.13 54.31 1opk s LEU 228 Cb 0.00 -4.07 1.04 0.00 0.03 0.00 0.00 46.19 43.19 1opk s LEU 228 CO 0.00 -0.63 2.08 -0.29 0.23 0.00 0.00 176.35 177.74 1opk h ILE 229 N 0.21 1.03 -2.89 -0.59 6.09 -1.99 -3.46 117.51 115.92 1opk h ILE 229 Ca -0.46 -0.11 -0.05 0.00 -1.37 0.00 0.00 64.86 62.87 1opk h ILE 229 Cb 1.20 0.68 -0.00 0.00 0.47 0.00 0.00 36.82 39.17 1opk h ILE 229 CO 0.62 0.06 0.17 1.07 -3.07 0.00 0.00 178.15 176.99 1opk n THR 230 N -4.49 0.00 -2.10 2.19 5.66 -1.26 -5.05 114.28 109.23 1opk n THR 230 Ca 0.02 -0.86 -0.32 0.00 -3.05 0.00 0.00 64.05 59.84 1opk n THR 230 Cb 0.12 0.78 -0.01 0.00 -1.55 0.00 0.00 70.33 69.67 1opk n THR 230 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1opk s THR 231 N -2.37 4.57 -0.64 1.09 -4.23 -1.26 -4.61 115.64 108.20 1opk s THR 231 Ca 0.14 1.02 -0.20 0.00 -1.18 0.00 0.00 61.69 61.47 1opk s THR 231 Cb -0.03 -3.77 0.09 0.00 1.34 0.00 0.00 72.50 70.13 1opk s THR 231 CO 0.10 -0.91 0.82 -0.76 -0.54 0.00 0.00 174.62 173.33 1opk s LEU 232 N -4.68 5.04 -0.11 4.79 1.43 -0.41 -4.45 118.68 120.29 1opk s LEU 232 Ca 0.57 -1.33 0.06 0.00 -1.03 0.00 0.00 54.13 52.41 1opk s LEU 232 Cb -0.11 -2.35 -0.11 0.00 0.03 0.00 0.00 46.19 43.66 1opk s LEU 232 CO 0.43 -1.22 -0.02 1.41 0.23 0.00 0.00 176.35 177.18 1opk n HIS 233 N 6.80 0.00 -3.89 0.29 8.25 -0.60 -4.14 115.22 121.93 1opk n HIS 233 Ca -0.06 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.10 1opk n HIS 233 Cb 0.44 -0.48 -0.15 0.00 1.12 0.00 0.00 29.99 30.92 1opk n HIS 233 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1opk s TYR 234 N -2.24 2.74 0.27 4.41 1.51 -0.41 -5.00 117.35 118.64 1opk s TYR 234 Ca -0.09 -2.34 -0.30 0.00 -1.01 0.00 0.00 57.07 53.33 1opk s TYR 234 Cb 0.03 -2.27 -0.13 0.00 -0.11 0.00 0.00 41.96 39.48 1opk s TYR 234 CO 0.36 -0.90 1.42 -2.30 -1.11 0.00 0.00 175.55 173.01 1opk n PRO 235 N 4.55 2.19 -2.04 -1.71 -0.02 -1.26 -1.62 135.00 135.08 1opk n PRO 235 Ca -0.00 0.78 -0.42 0.00 -2.02 0.00 0.00 63.50 61.83 1opk n PRO 235 Cb 0.42 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 1opk n PRO 235 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1opk s ALA 236 N -0.29 3.67 0.51 3.55 0.00 -0.02 -4.80 121.76 124.37 1opk s ALA 236 Ca 0.64 1.18 -0.23 0.00 0.00 0.00 0.00 51.96 53.56 1opk s ALA 236 Cb -0.60 -3.61 -0.06 0.00 0.00 0.00 0.00 23.12 18.85 1opk s ALA 236 CO 0.52 -0.84 1.32 -2.14 0.00 0.00 0.00 175.76 174.63 1opk s PRO 237 N 1.71 3.40 -0.75 0.00 0.02 -1.26 -4.78 135.00 133.33 1opk s PRO 237 Ca 0.69 2.15 -0.16 0.00 0.02 0.00 0.00 61.00 63.70 1opk s PRO 237 Cb -0.39 -2.37 0.18 0.00 0.02 0.00 0.00 34.50 31.93 1opk s PRO 237 CO 0.30 -0.96 0.75 0.15 -0.33 0.00 0.00 177.00 176.92 1opk s LYS 238 N -2.76 3.41 0.29 5.54 1.02 -1.26 -4.90 119.74 121.09 1opk s LYS 238 Ca 0.68 -2.09 0.22 0.00 0.02 0.00 0.00 55.97 54.80 1opk s LYS 238 Cb -0.38 -4.45 0.13 0.00 -0.52 0.00 0.00 37.83 32.61 1opk s LYS 238 CO 0.46 -1.39 1.28 0.00 -0.92 0.00 0.00 175.35 174.79 1opk h ARG 239 N 8.30 0.00 -5.17 1.68 3.08 -2.02 -3.46 114.38 116.79 1opk h ARG 239 Ca -0.02 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.40 1opk h ARG 239 Cb 1.06 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.89 1opk h ARG 239 CO 0.90 0.06 -0.64 -0.80 -1.07 0.00 0.00 179.97 178.41 1opk s ASN 240 N -5.81 4.98 0.34 7.04 0.02 -1.26 -5.08 114.94 115.16 1opk s ASN 240 Ca 0.03 -0.14 -0.28 0.00 -1.02 0.00 0.00 52.86 51.45 1opk s ASN 240 Cb 0.08 -1.85 -0.09 0.00 0.02 0.00 0.00 41.25 39.40 1opk s ASN 240 CO 0.74 0.10 1.15 -0.54 0.02 0.00 0.00 177.10 178.57 1opk s LYS 241 N 0.81 4.37 0.60 -0.60 1.02 -1.26 -4.96 119.74 119.72 1opk s LYS 241 Ca 0.01 1.86 -0.19 0.00 0.02 0.00 0.00 55.97 57.67 1opk s LYS 241 Cb -0.14 -2.95 -0.04 0.00 -0.52 0.00 0.00 37.83 34.17 1opk s LYS 241 CO 0.02 -0.05 1.13 -2.30 -0.92 0.00 0.00 175.35 173.23 1opk n PRO 242 N 0.67 1.12 -2.16 -1.68 -0.02 -1.26 -4.92 135.00 126.75 1opk n PRO 242 Ca 0.01 0.43 -0.40 0.00 -2.02 0.00 0.00 63.50 61.52 1opk n PRO 242 Cb 0.45 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.58 1opk n PRO 242 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1opk s THR 243 N -1.43 2.83 -0.18 3.45 2.01 -1.26 -5.01 115.64 116.06 1opk s THR 243 Ca 0.76 0.78 -0.02 0.00 0.31 0.00 0.00 61.69 63.52 1opk s THR 243 Cb -0.41 -3.47 -0.01 0.00 0.01 0.00 0.00 72.50 68.62 1opk s THR 243 CO 0.46 0.14 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.82 1opk s ILE 244 N -1.24 3.25 -1.34 1.82 1.01 -1.26 -5.03 121.20 118.41 1opk s ILE 244 Ca 0.53 -0.56 -0.13 0.00 0.00 0.00 0.00 60.65 60.50 1opk s ILE 244 Cb -0.37 -2.43 0.11 0.00 0.01 0.00 0.00 42.46 39.78 1opk s ILE 244 CO 0.48 0.47 1.94 -1.22 0.00 0.00 0.00 174.94 176.60 1opk n TYR 245 N 4.22 3.64 0.00 3.97 4.02 -1.26 -4.82 117.16 126.93 1opk n TYR 245 Ca -0.18 -2.94 0.00 0.00 -0.01 0.00 0.00 57.90 54.77 1opk n TYR 245 Cb 0.52 -2.29 0.00 0.00 -0.02 0.00 0.00 39.34 37.54 1opk n TYR 245 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1opk n GLY 246 N 3.78 0.63 0.00 2.72 0.00 -1.26 -4.88 105.19 106.18 1opk n GLY 246 Ca 0.45 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1opk n GLY 246 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1opk n VAL 247 N 2.16 0.00 -4.10 1.61 0.24 -1.26 -4.98 118.33 111.99 1opk n VAL 247 Ca 0.00 -0.27 -0.15 0.00 -2.04 0.00 0.00 64.34 61.88 1opk n VAL 247 Cb 0.00 1.43 -0.12 0.00 -1.47 0.00 0.00 33.84 33.69 1opk n VAL 247 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1opk s SER 248 N -0.03 1.17 0.07 -1.34 0.15 -1.26 -4.80 113.70 107.66 1opk s SER 248 Ca 0.00 -0.58 0.28 0.00 0.70 0.00 0.00 55.95 56.35 1opk s SER 248 Cb 0.00 0.00 1.00 0.00 -1.71 0.00 0.00 66.02 65.31 1opk s SER 248 CO 0.00 -0.16 1.80 -0.81 1.20 0.00 0.00 173.24 175.28 1opk n PRO 249 N 1.39 0.09 -1.85 5.44 -0.04 -1.26 -4.89 135.00 133.88 1opk n PRO 249 Ca -0.22 0.07 -0.30 0.00 -0.04 0.00 0.00 63.50 63.00 1opk n PRO 249 Cb 0.54 -1.60 0.05 0.00 -0.04 0.00 0.00 33.50 32.46 1opk n PRO 249 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1opk s ASN 250 N -3.50 5.27 -0.13 3.54 -0.87 -1.26 -4.56 114.94 113.42 1opk s ASN 250 Ca 0.12 1.12 -0.29 0.00 -1.57 0.00 0.00 52.86 52.24 1opk s ASN 250 Cb 0.17 -1.88 -0.02 0.00 -0.02 0.00 0.00 41.25 39.49 1opk s ASN 250 CO 0.58 -1.46 1.32 -0.47 -2.57 0.00 0.00 177.10 174.50 1opk s TYR 251 N -3.36 2.76 -0.23 2.20 5.04 -1.26 -4.44 117.35 118.06 1opk s TYR 251 Ca 0.59 0.90 -0.17 0.00 -2.44 0.00 0.00 57.07 55.96 1opk s TYR 251 Cb -0.11 -3.56 0.02 0.00 0.35 0.00 0.00 41.96 38.66 1opk s TYR 251 CO 0.52 -2.00 0.30 -3.47 -1.34 0.00 0.00 175.55 169.57 1opk n ASP 252 N 6.51 -6.37 -2.77 4.32 2.03 -1.26 -4.92 116.55 114.09 1opk n ASP 252 Ca 0.14 0.28 -0.14 0.00 0.52 0.00 0.00 54.79 55.59 1opk n ASP 252 Cb 0.45 -2.19 0.01 0.00 -0.72 0.00 0.00 41.12 38.67 1opk n ASP 252 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1opk n LYS 253 N 0.56 1.53 0.05 -0.67 4.76 -1.26 -4.93 118.16 118.19 1opk n LYS 253 Ca -0.03 -3.54 -0.14 0.00 -2.87 0.00 0.00 58.31 51.74 1opk n LYS 253 Cb 0.53 -1.54 -0.04 0.00 -1.84 0.00 0.00 35.03 32.14 1opk n LYS 253 CO 0.00 0.00 0.00 -1.49 -1.37 0.00 0.00 177.40 174.54 1opk h TRP 254 N 2.94 0.69 -3.78 2.13 4.06 -1.91 -3.46 115.95 116.62 1opk h TRP 254 Ca 0.01 -0.35 -0.55 0.00 2.06 0.00 0.00 58.89 60.06 1opk h TRP 254 Cb 1.06 -0.09 0.11 0.00 -1.00 0.00 0.00 29.16 29.25 1opk h TRP 254 CO 0.55 1.17 0.70 0.39 -3.56 0.00 0.00 178.44 177.69 1opk n GLU 255 N -3.79 2.49 -4.12 0.49 -0.58 -1.26 -1.06 120.64 112.82 1opk n GLU 255 Ca -0.07 0.88 -0.11 0.00 -0.42 0.00 0.00 57.16 57.44 1opk n GLU 255 Cb 0.81 -2.58 -0.09 0.00 -0.57 0.00 0.00 31.44 29.01 1opk n GLU 255 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1opk s MET 256 N -2.09 1.18 -0.33 3.49 0.23 -0.25 -4.83 119.30 116.70 1opk s MET 256 Ca 0.55 -1.45 -0.24 0.00 -1.03 0.00 0.00 55.69 53.52 1opk s MET 256 Cb -0.49 0.31 0.01 0.00 -1.53 0.00 0.00 34.83 33.12 1opk s MET 256 CO 0.63 -0.40 0.81 -2.00 -2.03 0.00 0.00 175.02 172.02 1opk s GLU 257 N -4.08 3.87 0.55 3.16 2.12 -1.26 -4.66 118.70 118.40 1opk s GLU 257 Ca 0.29 0.50 0.30 0.00 0.36 0.00 0.00 54.97 56.41 1opk s GLU 257 Cb 0.05 -3.77 1.46 0.00 0.26 0.00 0.00 34.13 32.14 1opk s GLU 257 CO 0.07 -0.78 1.91 -0.09 -0.54 0.00 0.00 175.26 175.83 1opk h ARG 258 N 8.29 0.00 0.00 4.30 2.43 -1.96 0.92 114.38 128.36 1opk h ARG 258 Ca -0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1opk h ARG 258 Cb 1.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1opk h ARG 258 CO 0.91 0.00 0.00 1.79 -1.51 0.00 0.00 179.97 181.16 1opk h THR 259 N 0.00 0.00 -0.02 0.20 1.35 -2.04 -2.04 112.91 110.36 1opk h THR 259 Ca 0.34 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1opk h THR 259 Cb 1.45 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 1opk h THR 259 CO -0.00 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.74 1opk n ASP 260 N -2.54 0.62 -4.39 5.36 8.00 0.32 -4.79 116.55 119.13 1opk n ASP 260 Ca 0.02 -1.30 -0.34 0.00 0.71 0.00 0.00 54.79 53.88 1opk n ASP 260 Cb 0.27 -0.01 -0.13 0.00 -0.02 0.00 0.00 41.12 41.22 1opk n ASP 260 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1opk s ILE 261 N -1.98 3.45 -0.30 0.53 -1.09 -0.77 -1.33 121.20 119.71 1opk s ILE 261 Ca 0.40 -0.50 -0.09 0.00 -2.23 0.00 0.00 60.65 58.22 1opk s ILE 261 Cb 0.20 -2.51 -0.01 0.00 -1.58 0.00 0.00 42.46 38.55 1opk s ILE 261 CO 0.32 0.48 0.14 -0.89 -1.23 0.00 0.00 174.94 173.76 1opk s THR 262 N 0.75 4.56 0.19 2.92 2.01 -0.56 -4.96 115.64 120.55 1opk s THR 262 Ca -0.03 -0.40 -0.27 0.00 0.31 0.00 0.00 61.69 61.30 1opk s THR 262 Cb -0.15 -3.31 -0.08 0.00 0.01 0.00 0.00 72.50 68.97 1opk s THR 262 CO 0.02 0.10 0.83 -0.04 -0.69 0.00 0.00 174.62 174.84 1opk s MET 263 N 1.61 4.67 0.00 4.92 1.00 -1.26 -1.36 119.30 128.88 1opk s MET 263 Ca 0.05 1.27 0.00 0.00 0.00 0.00 0.00 55.69 57.01 1opk s MET 263 Cb -0.17 -3.27 0.00 0.00 0.00 0.00 0.00 34.83 31.39 1opk s MET 263 CO 0.06 0.55 0.00 1.63 0.00 0.00 0.00 175.02 177.26 1opk n LYS 264 N 1.56 3.18 -2.45 2.03 5.02 0.81 -4.97 118.16 123.34 1opk n LYS 264 Ca -0.04 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.91 1opk n LYS 264 Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.46 1opk n LYS 264 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1opk s HIS 265 N 3.61 3.11 0.59 2.13 2.46 -1.26 -4.62 115.29 121.32 1opk s HIS 265 Ca 0.00 1.55 -0.19 0.00 0.47 0.00 0.00 55.06 56.89 1opk s HIS 265 Cb 0.00 -2.98 -0.04 0.00 -0.13 0.00 0.00 32.58 29.44 1opk s HIS 265 CO 0.00 -0.71 1.21 0.21 -2.47 0.00 0.00 174.74 172.98 1opk s LYS 266 N -3.54 2.99 -0.03 2.88 2.20 -1.26 -1.38 119.74 121.59 1opk s LYS 266 Ca 0.64 1.84 0.01 0.00 -0.36 0.00 0.00 55.97 58.10 1opk s LYS 266 Cb -0.14 -1.95 -0.03 0.00 -1.51 0.00 0.00 37.83 34.20 1opk s LYS 266 CO 0.24 -1.20 -0.02 -0.51 -0.36 0.00 0.00 175.35 173.50 1opk s LEU 267 N -4.04 3.41 -0.61 5.43 1.43 0.46 -4.65 118.68 120.12 1opk s LEU 267 Ca 0.77 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 1opk s LEU 267 Cb -0.31 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.04 1opk s LEU 267 CO 0.33 0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.85 1opk n GLY 268 N 1.77 0.82 2.39 -3.19 0.00 -1.26 -3.60 105.19 102.12 1opk n GLY 268 Ca -0.16 -0.73 -0.18 0.00 0.00 0.00 0.00 46.02 44.95 1opk n GLY 268 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1opk n GLY 269 N -2.21 0.54 1.45 -0.02 0.00 -1.26 -1.81 105.19 101.87 1opk n GLY 269 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1opk n GLY 269 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1opk n GLY 270 N -0.65 1.13 0.12 -0.02 0.00 -1.24 -4.93 105.19 99.61 1opk n GLY 270 Ca -0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.93 1opk n GLY 270 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1opk n GLN 271 N -2.00 0.15 -0.15 1.61 10.64 -0.75 -1.62 117.38 125.26 1opk n GLN 271 Ca 0.00 0.47 0.05 0.00 -1.83 0.00 0.00 57.00 55.70 1opk n GLN 271 Cb 0.00 -1.85 0.14 0.00 -0.86 0.00 0.00 30.24 27.67 1opk n GLN 271 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1opk n TYR 272 N -2.15 0.40 -2.71 2.61 4.02 -1.26 -5.09 117.16 112.98 1opk n TYR 272 Ca 0.01 -0.44 0.00 0.00 -0.01 0.00 0.00 57.90 57.46 1opk n TYR 272 Cb 0.16 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 1opk n TYR 272 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1opk n GLY 273 N 0.51 -0.30 2.66 2.72 0.00 -0.64 -4.56 105.19 105.58 1opk n GLY 273 Ca 0.11 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 1opk n GLY 273 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1opk n GLU 274 N 0.00 2.97 -4.54 1.61 -0.58 -1.26 -4.59 120.64 114.25 1opk n GLU 274 Ca 0.00 -2.49 -0.33 0.00 -0.42 0.00 0.00 57.16 53.92 1opk n GLU 274 Cb 0.00 -3.18 -0.15 0.00 -0.57 0.00 0.00 31.44 27.54 1opk n GLU 274 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1opk s VAL 275 N 3.06 2.68 0.10 2.62 1.01 -1.26 -1.43 120.40 127.17 1opk s VAL 275 Ca 0.52 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.81 1opk s VAL 275 Cb 0.15 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1opk s VAL 275 CO -0.08 0.52 -0.21 -0.31 0.00 0.00 0.00 175.10 175.02 1opk s TYR 276 N 0.79 1.83 0.34 5.22 1.51 0.52 -0.40 117.35 127.17 1opk s TYR 276 Ca -0.06 -0.41 -0.26 0.00 -1.01 0.00 0.00 57.07 55.34 1opk s TYR 276 Cb -0.15 -1.01 -0.09 0.00 -0.11 0.00 0.00 41.96 40.59 1opk s TYR 276 CO 0.00 0.20 1.01 -2.00 -1.11 0.00 0.00 175.55 173.65 1opk s GLU 277 N -1.83 4.44 0.22 -0.62 2.12 -0.48 -0.14 118.70 122.42 1opk s GLU 277 Ca 0.07 1.48 -0.10 0.00 0.36 0.00 0.00 54.97 56.78 1opk s GLU 277 Cb -0.10 -2.78 -0.01 0.00 0.26 0.00 0.00 34.13 31.51 1opk s GLU 277 CO 0.04 0.11 0.38 0.20 -0.54 0.00 0.00 175.26 175.45 1opk s GLY 278 N -1.47 0.69 -0.07 -1.50 0.00 0.24 -0.13 107.32 105.08 1opk s GLY 278 Ca 0.52 -1.03 0.05 0.00 0.00 0.00 0.00 44.72 44.26 1opk s GLY 278 CO 0.28 -0.81 -0.23 0.14 0.00 0.00 0.00 173.10 172.48 1opk s VAL 279 N -4.03 1.94 -0.83 1.40 1.01 -0.47 0.47 120.40 119.89 1opk s VAL 279 Ca 0.25 -0.98 -0.16 0.00 0.00 0.00 0.00 61.98 61.08 1opk s VAL 279 Cb 0.02 -1.66 0.17 0.00 0.00 0.00 0.00 36.38 34.90 1opk s VAL 279 CO 0.08 0.54 0.89 0.86 0.00 0.00 0.00 175.10 177.47 1opk s TRP 280 N 0.12 3.42 0.07 5.22 -0.11 0.28 -1.50 118.94 126.44 1opk s TRP 280 Ca -0.11 -1.63 -0.14 0.00 1.22 0.00 0.00 56.10 55.44 1opk s TRP 280 Cb -0.15 -4.02 -0.03 0.00 -1.50 0.00 0.00 33.47 27.76 1opk s TRP 280 CO 0.06 -1.22 0.87 1.63 -4.62 0.00 0.00 176.95 173.67 1opk n LYS 281 N 5.27 -0.20 -0.42 5.86 5.02 -0.44 -0.24 118.16 133.01 1opk n LYS 281 Ca 0.14 0.86 0.35 0.00 -2.02 0.00 0.00 58.31 57.65 1opk n LYS 281 Cb 0.47 -1.27 0.54 0.00 -0.02 0.00 0.00 35.03 34.76 1opk n LYS 281 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1opk n LYS 282 N -4.20 0.01 0.00 1.97 5.02 -1.26 0.94 118.16 120.63 1opk n LYS 282 Ca 0.01 0.88 0.00 0.00 -2.02 0.00 0.00 58.31 57.18 1opk n LYS 282 Cb 0.12 -2.10 0.00 0.00 -0.02 0.00 0.00 35.03 33.03 1opk n LYS 282 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1opk n TYR 283 N -3.30 0.00 -1.86 2.13 4.02 0.35 -4.90 117.16 113.60 1opk n TYR 283 Ca 0.30 -0.10 -0.13 0.00 -0.01 0.00 0.00 57.90 57.96 1opk n TYR 283 Cb 1.51 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 40.79 1opk n TYR 283 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1opk n SER 284 N -0.10 -3.69 -4.71 7.72 7.64 0.27 -4.88 113.62 115.87 1opk n SER 284 Ca 0.00 0.26 -0.41 0.00 1.01 0.00 0.00 58.87 59.72 1opk n SER 284 Cb 0.23 -3.30 -0.04 0.00 -1.01 0.00 0.00 64.21 60.10 1opk n SER 284 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1opk s LEU 285 N -4.59 4.33 0.17 -3.43 2.96 -1.01 -4.80 118.68 112.31 1opk s LEU 285 Ca 0.00 1.45 -0.30 0.00 -0.22 0.00 0.00 54.13 55.06 1opk s LEU 285 Cb 0.00 -3.37 -0.07 0.00 0.50 0.00 0.00 46.19 43.25 1opk s LEU 285 CO 0.00 -0.23 1.00 -0.89 -1.32 0.00 0.00 176.35 174.91 1opk s THR 286 N 1.07 4.18 0.27 3.68 2.01 -1.26 0.10 115.64 125.69 1opk s THR 286 Ca 0.45 1.94 0.03 0.00 0.31 0.00 0.00 61.69 64.43 1opk s THR 286 Cb -0.19 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.05 1opk s THR 286 CO 0.23 0.36 0.21 0.68 -0.69 0.00 0.00 174.62 175.41 1opk s VAL 287 N -0.45 0.00 -0.06 3.82 -7.23 0.18 -4.08 120.40 112.58 1opk s VAL 287 Ca 0.46 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.67 1opk s VAL 287 Cb -0.26 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.16 1opk s VAL 287 CO 0.32 0.00 -0.15 0.00 -0.31 0.00 0.00 175.10 174.96 1opk s ALA 288 N -3.77 2.61 -0.08 1.32 0.00 -0.43 -0.59 121.76 120.82 1opk s ALA 288 Ca 0.40 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1opk s ALA 288 Cb 0.04 -0.98 0.02 0.00 0.00 0.00 0.00 23.12 22.20 1opk s ALA 288 CO 0.20 0.49 -0.09 0.08 0.00 0.00 0.00 175.76 176.44 1opk s VAL 289 N -0.49 0.99 -0.22 0.00 1.01 0.81 -0.78 120.40 121.72 1opk s VAL 289 Ca 0.06 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 1opk s VAL 289 Cb -0.12 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1opk s VAL 289 CO 0.02 0.34 0.09 -0.75 0.00 0.00 0.00 175.10 174.80 1opk s LYS 290 N 1.05 3.89 -0.07 2.72 2.20 0.14 -0.35 119.74 129.31 1opk s LYS 290 Ca -0.08 -0.37 0.03 0.00 -0.36 0.00 0.00 55.97 55.19 1opk s LYS 290 Cb -0.15 -3.35 -0.02 0.00 -1.51 0.00 0.00 37.83 32.81 1opk s LYS 290 CO -0.01 0.05 -0.15 -0.08 -0.36 0.00 0.00 175.35 174.81 1opk s THR 291 N 1.00 2.99 -1.24 3.43 -1.32 -0.52 -1.15 115.64 118.84 1opk s THR 291 Ca 0.05 -0.74 -0.14 0.00 -1.21 0.00 0.00 61.69 59.65 1opk s THR 291 Cb -0.14 -2.18 0.15 0.00 -1.51 0.00 0.00 72.50 68.82 1opk s THR 291 CO 0.03 0.57 1.54 -0.11 -2.21 0.00 0.00 174.62 174.44 1opk n LEU 292 N 2.62 5.33 -4.79 9.08 7.94 -0.06 -4.74 117.00 132.37 1opk n LEU 292 Ca -0.17 -4.39 -0.34 0.00 -1.11 0.00 0.00 56.01 50.00 1opk n LEU 292 Cb 0.52 -1.63 -0.03 0.00 0.53 0.00 0.00 43.42 42.82 1opk n LEU 292 CO 0.27 0.70 0.72 -0.54 -1.11 0.00 0.00 177.39 177.43 1opk s LYS 293 N 1.89 3.73 0.58 1.96 1.02 -1.26 -4.25 119.74 123.41 1opk s LYS 293 Ca 0.44 1.38 -0.20 0.00 0.02 0.00 0.00 55.97 57.62 1opk s LYS 293 Cb -0.00 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.18 1opk s LYS 293 CO 0.01 -0.49 1.17 -0.85 -0.92 0.00 0.00 175.35 174.27 1opk n GLU 294 N -1.04 1.24 -3.59 1.68 0.28 -1.26 -3.20 120.64 114.75 1opk n GLU 294 Ca 0.10 0.47 -0.21 0.00 -0.16 0.00 0.00 57.16 57.36 1opk n GLU 294 Cb 0.52 -2.37 0.06 0.00 1.43 0.00 0.00 31.44 31.09 1opk n GLU 294 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1opk n ASP 295 N -0.98 -2.77 0.00 -1.84 10.43 -1.26 -4.94 116.55 115.19 1opk n ASP 295 Ca 0.13 -0.68 0.00 0.00 2.57 0.00 0.00 54.79 56.80 1opk n ASP 295 Cb 0.46 -4.66 0.00 0.00 1.84 0.00 0.00 41.12 38.76 1opk n ASP 295 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 1opk n THR 296 N -4.38 0.00 -2.79 -3.53 -2.24 -1.19 -5.12 114.28 95.03 1opk n THR 296 Ca -0.21 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.24 1opk n THR 296 Cb 0.64 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.80 1opk n THR 296 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1opk s MET 297 N 1.56 4.20 0.25 -0.78 -2.45 -1.26 -5.02 119.30 115.80 1opk s MET 297 Ca 0.00 1.13 -0.30 0.00 -1.25 0.00 0.00 55.69 55.27 1opk s MET 297 Cb 0.00 -2.17 -0.09 0.00 1.25 0.00 0.00 34.83 33.82 1opk s MET 297 CO 0.00 -0.06 1.07 -1.83 1.05 0.00 0.00 175.02 175.25 1opk s GLU 298 N -3.22 4.68 0.16 4.11 1.03 -1.26 -4.92 118.70 119.29 1opk s GLU 298 Ca 0.62 1.73 -0.21 0.00 0.03 0.00 0.00 54.97 57.14 1opk s GLU 298 Cb -0.09 -3.22 0.07 0.00 -0.80 0.00 0.00 34.13 30.09 1opk s GLU 298 CO 0.14 0.25 1.62 0.28 -1.33 0.00 0.00 175.26 176.22 1opk h VAL 299 N 3.22 0.35 -0.87 1.83 2.07 -1.99 -0.78 116.25 120.07 1opk h VAL 299 Ca -0.46 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.17 1opk h VAL 299 Cb 1.21 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 1opk h VAL 299 CO 0.68 0.00 0.56 -0.33 0.02 0.00 0.00 177.57 178.50 1opk h GLU 300 N -0.20 0.78 -0.35 1.57 3.07 -1.99 0.23 114.58 117.69 1opk h GLU 300 Ca 0.18 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.91 1opk h GLU 300 Cb 0.48 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1opk h GLU 300 CO -0.48 0.52 -0.11 1.49 -1.40 0.00 0.00 179.01 179.03 1opk h GLU 301 N 0.81 0.70 -0.19 2.33 4.57 -1.63 -1.17 114.58 120.00 1opk h GLU 301 Ca 0.41 -0.28 -0.01 0.00 -1.18 0.00 0.00 59.36 58.31 1opk h GLU 301 Cb 0.49 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 1opk h GLU 301 CO -0.18 0.87 0.09 0.35 -1.18 0.00 0.00 179.01 178.96 1opk h PHE 302 N 0.49 0.27 -0.44 0.92 3.57 0.00 -1.80 116.94 119.95 1opk h PHE 302 Ca 0.09 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 1opk h PHE 302 Cb 0.62 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1opk h PHE 302 CO 0.05 0.29 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.29 1opk h LEU 303 N 0.18 0.74 -0.97 0.59 4.07 -0.96 -1.97 115.31 117.00 1opk h LEU 303 Ca 0.07 -0.20 -0.06 0.00 0.08 0.00 0.00 57.88 57.76 1opk h LEU 303 Cb 0.11 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 1opk h LEU 303 CO -0.01 0.85 0.05 0.11 -1.08 0.00 0.00 178.44 178.36 1opk h LYS 304 N 0.70 0.80 -0.41 1.13 1.57 -1.04 0.15 116.57 119.46 1opk h LYS 304 Ca 0.13 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1opk h LYS 304 Cb 0.52 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1opk h LYS 304 CO 0.03 0.77 0.16 1.49 -0.57 0.00 0.00 179.45 181.33 1opk h GLU 305 N 0.75 0.62 -0.54 3.15 4.81 -0.83 0.34 114.58 122.88 1opk h GLU 305 Ca 0.15 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1opk h GLU 305 Cb 0.39 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1opk h GLU 305 CO 0.01 0.58 0.33 0.00 -0.73 0.00 0.00 179.01 179.20 1opk h ALA 306 N 1.00 0.69 -0.02 2.92 0.00 -0.95 -1.13 119.26 121.77 1opk h ALA 306 Ca 0.14 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1opk h ALA 306 Cb 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1opk h ALA 306 CO -0.01 0.17 -0.05 0.00 0.00 0.00 0.00 179.25 179.36 1opk h ALA 307 N 1.16 -0.03 -0.39 0.00 0.00 -0.53 -2.52 119.26 116.95 1opk h ALA 307 Ca 0.19 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1opk h ALA 307 Cb -0.02 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1opk h ALA 307 CO -0.04 -0.54 0.22 0.28 0.00 0.00 0.00 179.25 179.18 1opk h VAL 308 N -0.08 1.03 0.00 0.00 2.07 -0.75 -2.42 116.25 116.10 1opk h VAL 308 Ca 0.03 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1opk h VAL 308 Cb 0.11 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1opk h VAL 308 CO -0.06 0.08 -0.03 0.24 0.02 0.00 0.00 177.57 177.81 1opk h MET 309 N 0.45 0.00 0.00 1.57 2.07 -0.98 -0.39 114.93 117.65 1opk h MET 309 Ca 0.16 0.00 -0.07 0.00 -2.07 0.00 0.00 59.70 57.72 1opk h MET 309 Cb 0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.74 1opk h MET 309 CO -0.08 0.03 -0.33 0.87 1.07 0.00 0.00 176.91 178.48 1opk h LYS 310 N 0.00 0.00 0.00 1.72 1.57 -1.00 -3.08 116.57 115.78 1opk h LYS 310 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1opk h LYS 310 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1opk h LYS 310 CO 0.00 0.33 -0.80 0.93 -0.57 0.00 0.00 179.45 179.34 1opk h GLU 311 N 0.00 0.00 -6.22 3.15 4.39 -1.12 -3.46 114.58 111.32 1opk h GLU 311 Ca -0.00 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.13 1opk h GLU 311 Cb 0.65 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.26 1opk h GLU 311 CO 0.04 0.00 0.62 0.42 -1.16 0.00 0.00 179.01 178.93 1opk s ILE 312 N -3.31 4.74 -0.33 3.13 -1.09 -1.09 -5.00 121.20 118.26 1opk s ILE 312 Ca 0.02 2.03 -0.02 0.00 -2.23 0.00 0.00 60.65 60.45 1opk s ILE 312 Cb 0.10 -4.30 0.12 0.00 -1.58 0.00 0.00 42.46 36.80 1opk s ILE 312 CO 0.76 -0.04 0.18 -0.54 -1.23 0.00 0.00 174.94 174.08 1opk s LYS 313 N 2.28 0.40 -0.13 2.79 1.02 -1.26 -4.81 119.74 120.03 1opk s LYS 313 Ca 0.48 -1.00 -0.18 0.00 0.02 0.00 0.00 55.97 55.29 1opk s LYS 313 Cb -0.18 -1.23 0.04 0.00 -0.52 0.00 0.00 37.83 35.94 1opk s LYS 313 CO 0.16 -1.14 0.46 -1.58 -0.92 0.00 0.00 175.35 172.33 1opk s HIS 314 N 1.49 -0.47 0.63 3.18 2.46 -1.26 -5.04 115.29 116.27 1opk s HIS 314 Ca 0.14 1.06 0.34 0.00 0.47 0.00 0.00 55.06 57.08 1opk s HIS 314 Cb -0.20 0.19 1.93 0.00 -0.13 0.00 0.00 32.58 34.37 1opk s HIS 314 CO -0.14 -0.31 2.18 -1.35 -2.47 0.00 0.00 174.74 172.65 1opk h PRO 315 N 4.85 0.00 -0.29 2.88 0.11 -1.99 -2.71 132.00 134.86 1opk h PRO 315 Ca -0.28 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.78 1opk h PRO 315 Cb 1.17 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1opk h PRO 315 CO 0.26 0.00 -0.00 0.09 -0.21 0.00 0.00 178.00 178.14 1opk n ASN 316 N -3.42 3.48 -4.08 -2.05 4.13 -1.26 -4.88 115.26 107.18 1opk n ASN 316 Ca -0.01 -3.22 -0.28 0.00 1.68 0.00 0.00 54.58 52.75 1opk n ASN 316 Cb 0.21 -0.57 -0.17 0.00 -1.54 0.00 0.00 39.78 37.72 1opk n ASN 316 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1opk s LEU 317 N -2.95 1.77 -0.09 3.41 1.43 -1.02 -0.44 118.68 120.80 1opk s LEU 317 Ca 0.43 -0.40 -0.39 0.00 -1.03 0.00 0.00 54.13 52.73 1opk s LEU 317 Cb 0.36 -1.05 -0.17 0.00 0.03 0.00 0.00 46.19 45.35 1opk s LEU 317 CO 0.06 0.05 1.43 0.52 0.23 0.00 0.00 176.35 178.65 1opk n VAL 318 N 3.89 0.08 -3.29 -1.59 0.31 -1.02 -4.68 118.33 112.03 1opk n VAL 318 Ca -0.21 -0.02 -0.38 0.00 -0.01 0.00 0.00 64.34 63.73 1opk n VAL 318 Cb 0.52 -0.75 -0.06 0.00 -0.91 0.00 0.00 33.84 32.64 1opk n VAL 318 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1opk s GLN 319 N 1.48 4.30 0.32 5.55 2.00 -1.26 -4.81 119.66 127.24 1opk s GLN 319 Ca 0.91 0.53 -0.28 0.00 -2.00 0.00 0.00 55.36 54.52 1opk s GLN 319 Cb -1.10 -3.40 -0.09 0.00 0.80 0.00 0.00 33.01 29.22 1opk s GLN 319 CO 0.57 0.24 1.15 -1.17 -0.50 0.00 0.00 175.29 175.58 1opk s LEU 320 N 0.32 4.43 -0.02 3.68 2.96 -1.26 -1.94 118.68 126.85 1opk s LEU 320 Ca 0.27 2.35 0.03 0.00 -0.22 0.00 0.00 54.13 56.57 1opk s LEU 320 Cb -0.16 -3.75 -0.05 0.00 0.50 0.00 0.00 46.19 42.73 1opk s LEU 320 CO 0.12 -0.35 0.04 0.18 -1.32 0.00 0.00 176.35 175.02 1opk n LEU 321 N 0.80 0.00 0.00 -0.68 4.77 0.93 -3.98 117.00 118.84 1opk n LEU 321 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1opk n LEU 321 Cb 0.45 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1opk n LEU 321 CO 0.54 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1opk n GLY 322 N 2.61 0.13 3.09 -0.72 0.00 -0.97 -4.46 105.19 104.87 1opk n GLY 322 Ca -0.04 -0.85 -0.07 0.00 0.00 0.00 0.00 46.02 45.06 1opk n GLY 322 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1opk s VAL 323 N -2.00 0.21 -0.38 1.61 -7.23 -0.22 -0.85 120.40 111.54 1opk s VAL 323 Ca 0.00 -1.71 0.01 0.00 -1.81 0.00 0.00 61.98 58.47 1opk s VAL 323 Cb 0.00 -1.44 0.12 0.00 0.56 0.00 0.00 36.38 35.62 1opk s VAL 323 CO 0.00 -0.94 0.17 0.00 -0.31 0.00 0.00 175.10 174.02 1opk n THR 325 N 4.12 1.12 0.14 0.00 -2.24 -1.26 -1.35 114.28 114.79 1opk n THR 325 Ca 0.04 -1.16 -0.01 0.00 -2.27 0.00 0.00 64.05 60.65 1opk n THR 325 Cb 0.38 0.41 0.16 0.00 -2.10 0.00 0.00 70.33 69.18 1opk n THR 325 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1opk h ARG 326 N 0.11 0.00 -1.90 -0.78 2.47 -1.94 -3.47 114.38 108.87 1opk h ARG 326 Ca 0.00 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.78 1opk h ARG 326 Cb 0.58 0.00 -0.20 0.00 -1.65 0.00 0.00 29.97 28.70 1opk h ARG 326 CO 0.00 0.62 0.45 -1.83 0.56 0.00 0.00 179.97 179.78 1opk s GLU 327 N -3.57 0.77 0.60 0.04 4.04 -1.26 -5.16 118.70 114.16 1opk s GLU 327 Ca -0.01 0.02 -0.19 0.00 0.04 0.00 0.00 54.97 54.83 1opk s GLU 327 Cb 0.12 0.36 -0.03 0.00 0.02 0.00 0.00 34.13 34.61 1opk s GLU 327 CO 0.76 -0.27 1.27 -2.14 -1.84 0.00 0.00 175.26 173.04 1opk s PRO 328 N -1.78 2.84 0.09 -4.83 0.02 -1.26 -4.04 135.00 126.03 1opk s PRO 328 Ca -0.02 2.01 -0.29 0.00 0.02 0.00 0.00 61.00 62.72 1opk s PRO 328 Cb -0.01 -1.97 -0.05 0.00 0.02 0.00 0.00 34.50 32.49 1opk s PRO 328 CO -0.00 -1.36 0.94 -2.14 -0.33 0.00 0.00 177.00 174.10 1opk s PRO 329 N -3.25 4.65 0.39 5.54 0.02 -1.26 -5.12 135.00 135.97 1opk s PRO 329 Ca 0.78 1.39 -0.26 0.00 0.02 0.00 0.00 61.00 62.94 1opk s PRO 329 Cb -0.36 -3.39 -0.09 0.00 0.02 0.00 0.00 34.50 30.69 1opk s PRO 329 CO 0.39 0.18 1.23 -0.06 -0.33 0.00 0.00 177.00 178.42 1opk s PHE 330 N 0.14 3.00 0.07 6.54 2.99 -1.26 -4.78 117.98 124.68 1opk s PHE 330 Ca 0.46 1.49 0.09 0.00 0.00 0.00 0.00 56.93 58.97 1opk s PHE 330 Cb -0.23 -3.53 -0.03 0.00 0.00 0.00 0.00 43.02 39.23 1opk s PHE 330 CO 0.29 -1.64 -0.24 0.71 -0.00 0.00 0.00 175.22 174.34 1opk s TYR 331 N -1.31 2.05 -0.14 0.36 4.12 -0.46 -0.88 117.35 121.10 1opk s TYR 331 Ca 0.55 -0.39 0.00 0.00 0.02 0.00 0.00 57.07 57.25 1opk s TYR 331 Cb -0.35 -1.18 0.02 0.00 -1.52 0.00 0.00 41.96 38.94 1opk s TYR 331 CO 0.44 0.18 -0.12 0.42 0.02 0.00 0.00 175.55 176.48 1opk s ILE 332 N -0.93 1.43 -0.17 2.71 1.01 -0.30 -1.63 121.20 123.33 1opk s ILE 332 Ca 0.10 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.19 1opk s ILE 332 Cb -0.10 -1.36 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 1opk s ILE 332 CO 0.03 0.43 -0.10 -0.63 0.00 0.00 0.00 174.94 174.68 1opk s ILE 333 N 1.53 3.18 0.39 2.92 1.01 -0.02 -0.69 121.20 129.51 1opk s ILE 333 Ca 0.05 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.14 1opk s ILE 333 Cb -0.13 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 1opk s ILE 333 CO -0.10 0.49 0.08 0.42 0.00 0.00 0.00 174.94 175.83 1opk s THR 334 N 0.78 0.93 0.79 2.92 -4.23 0.04 -0.05 115.64 116.83 1opk s THR 334 Ca -0.04 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.35 1opk s THR 334 Cb -0.15 -2.52 0.07 0.00 1.34 0.00 0.00 72.50 71.24 1opk s THR 334 CO 0.01 0.00 1.16 -1.83 -0.54 0.00 0.00 174.62 173.42 1opk s GLU 335 N -3.80 1.89 -0.20 3.99 -1.05 -0.82 -1.32 118.70 117.40 1opk s GLU 335 Ca 0.27 1.55 -0.08 0.00 -0.15 0.00 0.00 54.97 56.56 1opk s GLU 335 Cb 0.05 -1.83 -0.04 0.00 -0.44 0.00 0.00 34.13 31.87 1opk s GLU 335 CO 0.14 -1.98 0.09 0.12 0.95 0.00 0.00 175.26 174.58 1opk s PHE 336 N -2.39 3.28 -0.38 4.83 5.36 -1.26 -4.14 117.98 123.27 1opk s PHE 336 Ca 0.69 0.11 -0.17 0.00 -0.96 0.00 0.00 56.93 56.60 1opk s PHE 336 Cb -0.24 -2.14 0.01 0.00 -0.34 0.00 0.00 43.02 40.31 1opk s PHE 336 CO 0.51 0.13 0.43 -1.64 -1.46 0.00 0.00 175.22 173.18 1opk s MET 337 N 0.58 3.34 0.38 10.12 -1.94 -1.26 -4.98 119.30 125.53 1opk s MET 337 Ca 0.05 -0.54 0.05 0.00 -1.71 0.00 0.00 55.69 53.54 1opk s MET 337 Cb -0.13 -3.89 0.74 0.00 2.01 0.00 0.00 34.83 33.57 1opk s MET 337 CO 0.01 -0.72 2.01 1.79 -0.01 0.00 0.00 175.02 178.10 1opk h THR 338 N 5.65 1.14 -0.53 2.05 1.35 -1.91 -3.26 112.91 117.40 1opk h THR 338 Ca -0.28 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1opk h THR 338 Cb 1.12 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1opk h THR 338 CO 0.76 0.15 0.00 -1.22 -0.25 0.00 0.00 175.52 174.96 1opk n TYR 339 N -4.43 0.71 -4.00 4.73 4.02 -0.19 -5.04 117.16 112.96 1opk n TYR 339 Ca 0.04 -0.36 0.00 0.00 -0.01 0.00 0.00 57.90 57.57 1opk n TYR 339 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 1opk n TYR 339 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1opk n GLY 340 N 1.35 -1.59 3.87 2.72 0.00 -1.23 -4.74 105.19 105.57 1opk n GLY 340 Ca 0.18 -1.33 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 1opk n GLY 340 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1opk s ASN 341 N -4.00 6.47 0.38 1.61 2.20 -1.26 -0.40 114.94 119.94 1opk s ASN 341 Ca 0.00 1.26 0.05 0.00 -0.94 0.00 0.00 52.86 53.22 1opk s ASN 341 Cb 0.00 -2.38 0.74 0.00 -2.00 0.00 0.00 41.25 37.61 1opk s ASN 341 CO 0.00 -0.53 2.02 0.25 -2.94 0.00 0.00 177.10 175.90 1opk h LEU 342 N 0.82 0.59 0.41 3.54 5.85 -0.54 -1.62 115.31 124.36 1opk h LEU 342 Ca -0.47 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.21 1opk h LEU 342 Cb 1.19 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1opk h LEU 342 CO 0.63 0.45 -0.20 0.25 -0.34 0.00 0.00 178.44 179.22 1opk h LEU 343 N 0.68 -0.47 -0.79 2.25 5.85 -1.80 0.21 115.31 121.25 1opk h LEU 343 Ca 0.18 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 1opk h LEU 343 Cb -0.04 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1opk h LEU 343 CO -0.04 -0.29 0.36 0.44 -0.34 0.00 0.00 178.44 178.58 1opk h ASP 344 N -0.61 1.05 -0.29 1.25 3.32 -1.88 -1.93 116.42 117.33 1opk h ASP 344 Ca -0.06 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 56.87 1opk h ASP 344 Cb 0.46 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 1opk h ASP 344 CO 0.09 0.90 0.13 0.22 -1.72 0.00 0.00 179.24 178.86 1opk h TYR 345 N 1.13 0.24 -0.49 4.55 3.20 -1.06 -1.63 116.97 122.90 1opk h TYR 345 Ca 0.27 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.08 1opk h TYR 345 Cb 0.14 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1opk h TYR 345 CO 0.01 0.12 0.01 -0.07 -1.64 0.00 0.00 178.16 176.60 1opk h LEU 346 N 0.28 0.78 -1.09 2.82 3.38 -0.74 -0.78 115.31 119.95 1opk h LEU 346 Ca 0.12 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1opk h LEU 346 Cb 0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1opk h LEU 346 CO -0.10 0.84 -0.42 0.03 0.09 0.00 0.00 178.44 178.88 1opk h ARG 347 N 0.76 0.00 -0.16 1.13 3.08 -1.01 -3.22 114.38 114.95 1opk h ARG 347 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1opk h ARG 347 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1opk h ARG 347 CO 0.02 0.42 0.00 0.39 -1.07 0.00 0.00 179.97 179.73 1opk n GLU 348 N -3.82 1.64 -1.94 0.04 1.02 -0.64 -5.03 120.64 111.91 1opk n GLU 348 Ca -0.01 -1.67 -0.29 0.00 -0.02 0.00 0.00 57.16 55.17 1opk n GLU 348 Cb 0.48 -1.31 0.06 0.00 -0.02 0.00 0.00 31.44 30.64 1opk n GLU 348 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1opk s ASN 350 N -4.41 6.43 0.00 0.00 3.04 -1.26 -4.91 114.94 113.82 1opk s ASN 350 Ca 0.59 -0.07 0.07 0.00 0.04 0.00 0.00 52.86 53.49 1opk s ASN 350 Cb -0.11 -2.42 0.34 0.00 -1.54 0.00 0.00 41.25 37.52 1opk s ASN 350 CO 0.50 -1.02 1.18 0.54 -3.04 0.00 0.00 177.10 175.26 1opk n ARG 351 N 7.02 0.05 0.08 0.43 1.74 -1.26 -1.13 116.66 123.58 1opk n ARG 351 Ca 0.04 0.31 -0.22 0.00 -0.77 0.00 0.00 57.85 57.21 1opk n ARG 351 Cb 0.48 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.27 1opk n ARG 351 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1opk h GLN 352 N 0.00 0.38 -0.04 5.56 1.08 -2.00 -3.31 115.11 116.78 1opk h GLN 352 Ca 0.00 -0.65 -0.13 0.00 -1.45 0.00 0.00 58.65 56.42 1opk h GLN 352 Cb 0.10 0.24 0.01 0.00 -0.05 0.00 0.00 27.48 27.78 1opk h GLN 352 CO 0.00 1.31 -0.49 1.49 -0.95 0.00 0.00 178.83 180.19 1opk h GLU 353 N -0.19 0.40 -3.66 1.46 4.81 -1.77 -3.35 114.58 112.28 1opk h GLU 353 Ca -0.20 -0.38 -0.78 0.00 -0.13 0.00 0.00 59.36 57.88 1opk h GLU 353 Cb 1.83 0.10 -0.23 0.00 0.63 0.00 0.00 28.75 31.08 1opk h GLU 353 CO 0.19 1.04 1.12 0.28 -0.73 0.00 0.00 179.01 180.90 1opk n VAL 354 N -4.29 4.66 -2.10 0.32 0.31 -0.29 -4.89 118.33 112.05 1opk n VAL 354 Ca -0.09 -5.15 -0.20 0.00 -0.01 0.00 0.00 64.34 58.88 1opk n VAL 354 Cb 0.61 -2.37 0.13 0.00 -0.91 0.00 0.00 33.84 31.29 1opk n VAL 354 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1opk n SER 355 N 3.29 0.54 -0.26 4.52 3.41 -1.25 -4.65 113.62 119.22 1opk n SER 355 Ca 0.31 -1.61 0.12 0.00 -0.26 0.00 0.00 58.87 57.43 1opk n SER 355 Cb 0.38 -0.64 0.38 0.00 -0.26 0.00 0.00 64.21 64.07 1opk n SER 355 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1opk h ALA 356 N -1.23 1.85 -0.01 7.33 0.00 -1.94 -0.04 119.26 125.22 1opk h ALA 356 Ca -0.29 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1opk h ALA 356 Cb 0.92 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1opk h ALA 356 CO 0.25 -0.09 -0.32 -0.24 0.00 0.00 0.00 179.25 178.86 1opk h VAL 357 N 0.68 1.23 -0.08 0.00 3.04 -1.93 -0.66 116.25 118.53 1opk h VAL 357 Ca 0.44 -1.10 -0.24 0.00 -1.01 0.00 0.00 66.70 64.80 1opk h VAL 357 Cb 0.73 1.58 0.02 0.00 -2.01 0.00 0.00 31.29 31.60 1opk h VAL 357 CO -0.20 0.31 -0.89 0.58 -1.01 0.00 0.00 177.57 176.36 1opk h VAL 358 N 0.01 1.28 -0.78 1.51 2.07 -1.38 -2.05 116.25 116.91 1opk h VAL 358 Ca -0.00 -2.10 -0.05 0.00 0.82 0.00 0.00 66.70 65.38 1opk h VAL 358 Cb 0.57 2.19 -0.03 0.00 -1.52 0.00 0.00 31.29 32.49 1opk h VAL 358 CO 0.04 0.66 0.31 -0.07 0.02 0.00 0.00 177.57 178.52 1opk h LEU 359 N 0.44 1.08 -0.71 2.57 3.38 -0.93 -1.16 115.31 119.99 1opk h LEU 359 Ca -0.09 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 1opk h LEU 359 Cb 1.54 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 1opk h LEU 359 CO 0.18 0.96 0.24 0.25 0.09 0.00 0.00 178.44 180.17 1opk h LEU 360 N 1.14 1.01 -0.78 1.67 5.85 -1.11 -0.76 115.31 122.33 1opk h LEU 360 Ca 0.26 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1opk h LEU 360 Cb 0.22 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1opk h LEU 360 CO -0.02 0.94 0.50 0.22 -0.34 0.00 0.00 178.44 179.73 1opk h TYR 361 N 1.03 1.00 -0.21 1.25 3.20 -0.84 -0.83 116.97 121.57 1opk h TYR 361 Ca 0.23 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.99 1opk h TYR 361 Cb 0.27 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 1opk h TYR 361 CO 0.02 0.65 -0.36 0.52 -1.64 0.00 0.00 178.16 177.35 1opk h MET 362 N 1.06 0.61 -0.67 1.82 2.86 -0.89 -2.49 114.93 117.22 1opk h MET 362 Ca 0.28 -0.38 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1opk h MET 362 Cb -0.09 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 1opk h MET 362 CO -0.06 0.99 0.34 0.00 1.06 0.00 0.00 176.91 179.24 1opk h ALA 363 N 0.61 1.34 -0.58 6.32 0.00 -0.98 -2.16 119.26 123.81 1opk h ALA 363 Ca 0.01 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1opk h ALA 363 Cb 0.95 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1opk h ALA 363 CO 0.08 0.53 0.01 1.15 0.00 0.00 0.00 179.25 181.02 1opk h THR 364 N 0.94 1.26 -0.59 0.00 2.02 -1.07 -1.24 112.91 114.24 1opk h THR 364 Ca 0.24 -1.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 1opk h THR 364 Cb 0.07 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1opk h THR 364 CO -0.03 0.40 0.34 1.56 0.37 0.00 0.00 175.52 178.16 1opk h GLN 365 N 0.91 0.81 -0.67 6.66 4.20 -1.07 -1.04 115.11 124.90 1opk h GLN 365 Ca 0.17 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 1opk h GLN 365 Cb 0.54 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1opk h GLN 365 CO 0.03 0.60 0.28 0.82 -0.67 0.00 0.00 178.83 179.90 1opk h ILE 366 N 0.80 1.24 -0.05 2.54 2.04 -1.15 -2.06 117.51 120.87 1opk h ILE 366 Ca 0.21 -0.72 -0.06 0.00 1.00 0.00 0.00 64.86 65.29 1opk h ILE 366 Cb 0.02 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1opk h ILE 366 CO -0.04 0.29 -0.25 0.77 0.00 0.00 0.00 178.15 178.93 1opk h SER 367 N 0.94 0.08 -0.37 1.72 4.64 -0.78 -1.61 113.55 118.17 1opk h SER 367 Ca 0.23 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.46 1opk h SER 367 Cb 0.18 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1opk h SER 367 CO -0.02 0.33 -0.03 -1.28 -0.87 0.00 0.00 176.83 174.96 1opk h SER 368 N 0.08 0.67 -0.67 4.97 0.87 -0.58 -0.56 113.55 118.34 1opk h SER 368 Ca 0.01 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1opk h SER 368 Cb 0.48 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 1opk h SER 368 CO 0.03 0.84 0.42 0.00 -0.53 0.00 0.00 176.83 177.59 1opk h ALA 369 N 0.86 0.85 -0.03 6.23 0.00 -1.02 -1.84 119.26 124.31 1opk h ALA 369 Ca 0.10 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1opk h ALA 369 Cb 0.51 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1opk h ALA 369 CO 0.03 0.30 -0.49 0.52 0.00 0.00 0.00 179.25 179.60 1opk h MET 370 N 0.91 0.08 -0.44 0.00 2.86 -1.07 -1.89 114.93 115.38 1opk h MET 370 Ca 0.24 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.76 1opk h MET 370 Cb -0.06 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 1opk h MET 370 CO -0.05 0.56 -0.04 1.49 1.06 0.00 0.00 176.91 179.93 1opk h GLU 371 N 0.06 0.74 -0.17 1.72 4.81 -0.71 -0.31 114.58 120.72 1opk h GLU 371 Ca 0.00 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 58.99 1opk h GLU 371 Cb 0.90 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1opk h GLU 371 CO 0.07 0.77 -0.02 -0.92 -0.73 0.00 0.00 179.01 178.18 1opk h TYR 372 N 0.68 0.34 -0.79 0.92 3.20 -0.76 -1.41 116.97 119.16 1opk h TYR 372 Ca 0.13 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 1opk h TYR 372 Cb 0.48 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.62 1opk h TYR 372 CO 0.02 0.55 0.49 -0.07 -1.64 0.00 0.00 178.16 177.51 1opk h LEU 373 N 0.03 0.93 -0.46 2.82 3.38 -1.09 -0.46 115.31 120.46 1opk h LEU 373 Ca 0.04 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1opk h LEU 373 Cb 0.43 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1opk h LEU 373 CO 0.01 0.70 0.28 -0.08 0.09 0.00 0.00 178.44 179.44 1opk h GLU 374 N 1.08 0.63 0.00 1.13 4.81 -0.84 -0.95 114.58 120.43 1opk h GLU 374 Ca 0.28 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.38 1opk h GLU 374 Cb -0.07 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1opk h GLU 374 CO -0.06 0.46 -0.38 1.57 -0.73 0.00 0.00 179.01 179.87 1opk h LYS 375 N 0.61 0.00 -0.48 1.92 2.10 -0.70 -3.11 116.57 116.91 1opk h LYS 375 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 1opk h LYS 375 Cb -0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1opk h LYS 375 CO -0.03 0.38 0.00 1.63 -2.00 0.00 0.00 179.45 179.43 1opk n LYS 376 N -3.41 2.21 -3.25 0.07 4.76 -0.23 -4.96 118.16 113.35 1opk n LYS 376 Ca 0.00 -1.87 -0.15 0.00 -2.87 0.00 0.00 58.31 53.43 1opk n LYS 376 Cb 0.56 -1.42 0.08 0.00 -1.84 0.00 0.00 35.03 32.41 1opk n LYS 376 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1opk n ASN 377 N 1.03 -2.37 -4.31 4.39 3.02 -0.79 -4.95 115.26 111.27 1opk n ASN 377 Ca 0.18 -0.56 -0.20 0.00 -0.03 0.00 0.00 54.58 53.97 1opk n ASN 377 Cb 0.45 -4.60 -0.11 0.00 -0.61 0.00 0.00 39.78 34.91 1opk n ASN 377 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1opk s PHE 378 N -3.32 1.68 0.10 3.10 0.40 -0.43 -1.25 117.98 118.26 1opk s PHE 378 Ca 0.03 -0.52 0.06 0.00 -0.60 0.00 0.00 56.93 55.90 1opk s PHE 378 Cb -0.00 -0.83 -0.03 0.00 0.51 0.00 0.00 43.02 42.66 1opk s PHE 378 CO 0.65 0.29 -0.15 0.96 0.70 0.00 0.00 175.22 177.66 1opk s ILE 379 N -2.36 1.32 -0.22 0.64 -4.36 -0.27 -4.35 121.20 111.60 1opk s ILE 379 Ca 0.16 -1.54 -0.16 0.00 -0.26 0.00 0.00 60.65 58.85 1opk s ILE 379 Cb -0.04 -1.37 -0.10 0.00 1.25 0.00 0.00 42.46 42.20 1opk s ILE 379 CO 0.06 -0.29 -0.24 1.57 0.24 0.00 0.00 174.94 176.28 1opk n HIS 380 N 0.90 0.27 -0.26 1.37 -0.00 -1.26 -1.59 115.22 114.64 1opk n HIS 380 Ca -0.18 0.12 0.00 0.00 -0.00 0.00 0.00 57.72 57.66 1opk n HIS 380 Cb 0.55 -0.85 0.00 0.00 -0.00 0.00 0.00 29.99 29.70 1opk n HIS 380 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1opk n ARG 381 N -4.38 0.00 -1.94 1.57 1.74 -1.26 -4.59 116.66 107.80 1opk n ARG 381 Ca -0.34 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.73 1opk n ARG 381 Cb 0.68 -2.53 0.06 0.00 -1.02 0.00 0.00 32.46 29.64 1opk n ARG 381 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1opk n ASN 382 N 0.00 1.81 -4.69 0.55 3.02 -1.26 -5.01 115.26 109.69 1opk n ASN 382 Ca 0.00 -2.49 -0.42 0.00 -0.03 0.00 0.00 54.58 51.64 1opk n ASN 382 Cb 0.00 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 38.74 1opk n ASN 382 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1opk s LEU 383 N -2.29 4.32 -0.10 3.41 2.96 -1.26 -4.75 118.68 120.96 1opk s LEU 383 Ca 0.34 2.13 -0.32 0.00 -0.22 0.00 0.00 54.13 56.07 1opk s LEU 383 Cb 0.36 -3.56 0.12 0.00 0.50 0.00 0.00 46.19 43.62 1opk s LEU 383 CO -0.08 -0.74 1.04 0.00 -1.32 0.00 0.00 176.35 175.25 1opk s ALA 384 N 2.54 -1.94 0.48 5.97 0.00 -1.26 -4.78 121.76 122.76 1opk s ALA 384 Ca 0.65 1.33 0.13 0.00 0.00 0.00 0.00 51.96 54.07 1opk s ALA 384 Cb -0.32 0.06 1.14 0.00 0.00 0.00 0.00 23.12 24.00 1opk s ALA 384 CO 0.27 -0.61 2.11 0.00 0.00 0.00 0.00 175.76 177.53 1opk h ALA 385 N 2.04 1.92 0.00 0.00 0.00 -1.92 -0.21 119.26 121.09 1opk h ALA 385 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1opk h ALA 385 Cb 1.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1opk h ALA 385 CO 0.27 0.06 0.00 2.89 0.00 0.00 0.00 179.25 182.47 1opk n ARG 386 N -4.51 0.18 -0.48 0.00 1.85 -1.26 -2.09 116.66 110.35 1opk n ARG 386 Ca -0.00 0.48 0.08 0.00 -1.00 0.00 0.00 57.85 57.41 1opk n ARG 386 Cb 0.10 -1.90 0.27 0.00 -1.05 0.00 0.00 32.46 29.89 1opk n ARG 386 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1opk n ASN 387 N -2.25 4.07 -4.45 2.89 3.02 -0.09 -4.77 115.26 113.67 1opk n ASN 387 Ca 0.01 -2.84 -0.33 0.00 -0.03 0.00 0.00 54.58 51.39 1opk n ASN 387 Cb 0.18 -0.53 -0.13 0.00 -0.61 0.00 0.00 39.78 38.69 1opk n ASN 387 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1opk s LEU 389 N -0.45 2.86 -0.12 0.00 1.43 0.70 -0.26 118.68 122.83 1opk s LEU 389 Ca 0.06 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.81 1opk s LEU 389 Cb -0.12 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 1opk s LEU 389 CO 0.02 0.26 -0.04 -0.69 0.23 0.00 0.00 176.35 176.13 1opk s VAL 390 N -0.99 3.95 0.00 -1.59 1.01 0.47 -0.81 120.40 122.44 1opk s VAL 390 Ca 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1opk s VAL 390 Cb -0.11 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1opk s VAL 390 CO 0.07 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.33 1opk n GLY 391 N 2.88 5.69 3.78 4.51 0.00 0.63 -1.03 105.19 121.66 1opk n GLY 391 Ca -0.18 -1.99 -0.34 0.00 0.00 0.00 0.00 46.02 43.52 1opk n GLY 391 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1opk s GLU 392 N 1.81 3.31 -1.54 1.61 2.56 -1.26 -3.76 118.70 121.43 1opk s GLU 392 Ca 0.00 1.42 -0.13 0.00 0.00 0.00 0.00 54.97 56.25 1opk s GLU 392 Cb 0.00 -2.02 0.09 0.00 2.00 0.00 0.00 34.13 34.20 1opk s GLU 392 CO 0.00 -0.85 0.92 0.09 -0.56 0.00 0.00 175.26 174.87 1opk n ASN 393 N -1.66 -4.22 -2.34 -1.70 5.03 -1.26 -1.86 115.26 107.26 1opk n ASN 393 Ca 0.10 -0.82 -0.17 0.00 0.87 0.00 0.00 54.58 54.56 1opk n ASN 393 Cb 0.52 -3.72 -0.01 0.00 -1.02 0.00 0.00 39.78 35.55 1opk n ASN 393 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1opk n HIS 394 N -4.61 -1.12 -2.43 3.10 8.25 -1.25 -4.95 115.22 112.22 1opk n HIS 394 Ca 0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.07 1opk n HIS 394 Cb 0.54 -3.34 -0.04 0.00 1.12 0.00 0.00 29.99 28.27 1opk n HIS 394 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1opk s LEU 395 N -5.68 4.50 -0.03 2.41 1.43 -0.78 -4.74 118.68 115.79 1opk s LEU 395 Ca 0.00 2.25 0.04 0.00 -1.03 0.00 0.00 54.13 55.39 1opk s LEU 395 Cb 0.00 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.60 1opk s LEU 395 CO 0.00 -0.25 -0.15 -0.69 0.23 0.00 0.00 176.35 175.49 1opk s VAL 396 N -0.66 1.27 -0.02 -1.59 1.01 -1.26 -0.27 120.40 118.89 1opk s VAL 396 Ca 0.48 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.85 1opk s VAL 396 Cb -0.32 -1.09 -0.00 0.00 0.00 0.00 0.00 36.38 34.97 1opk s VAL 396 CO 0.39 0.37 -0.12 -0.54 0.00 0.00 0.00 175.10 175.20 1opk s LYS 397 N -0.05 1.12 0.07 2.72 1.02 0.01 -4.65 119.74 119.97 1opk s LYS 397 Ca -0.01 -0.42 -0.29 0.00 0.02 0.00 0.00 55.97 55.27 1opk s LYS 397 Cb -0.09 -1.05 -0.05 0.00 -0.52 0.00 0.00 37.83 36.12 1opk s LYS 397 CO 0.01 0.21 0.91 0.08 -0.92 0.00 0.00 175.35 175.64 1opk s VAL 398 N -0.07 4.64 0.23 3.17 1.01 0.42 -0.22 120.40 129.59 1opk s VAL 398 Ca 0.01 1.94 -0.30 0.00 0.00 0.00 0.00 61.98 63.62 1opk s VAL 398 Cb -0.07 -4.26 -0.10 0.00 0.00 0.00 0.00 36.38 31.95 1opk s VAL 398 CO 0.00 0.30 1.46 0.00 0.00 0.00 0.00 175.10 176.86 1opk s ALA 399 N 0.20 3.65 -0.30 5.51 0.00 -0.34 -2.43 121.76 128.05 1opk s ALA 399 Ca 0.45 1.32 0.08 0.00 0.00 0.00 0.00 51.96 53.82 1opk s ALA 399 Cb -0.22 -3.57 0.47 0.00 0.00 0.00 0.00 23.12 19.80 1opk s ALA 399 CO 0.27 -0.74 1.36 -0.40 0.00 0.00 0.00 175.76 176.25 1opk n ASP 400 N 2.66 3.30 -4.89 0.00 5.68 -1.26 -4.94 116.55 117.10 1opk n ASP 400 Ca 0.08 -3.82 -0.29 0.00 -0.50 0.00 0.00 54.79 50.26 1opk n ASP 400 Cb 0.40 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 1opk n ASP 400 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 1opk s PHE 401 N -3.39 3.59 0.00 2.11 -0.12 -1.26 -4.10 117.98 114.82 1opk s PHE 401 Ca 0.46 1.05 0.00 0.00 -0.05 0.00 0.00 56.93 58.39 1opk s PHE 401 Cb 0.41 -2.51 0.00 0.00 -0.63 0.00 0.00 43.02 40.29 1opk s PHE 401 CO -0.01 -0.47 0.00 0.41 -0.05 0.00 0.00 175.22 175.09 1opk n GLY 402 N -2.48 0.21 3.74 1.99 0.00 -1.26 -4.98 105.19 102.40 1opk n GLY 402 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1opk n GLY 402 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1opk s LEU 403 N 0.00 3.51 0.06 0.99 1.43 -1.26 -4.89 118.68 118.52 1opk s LEU 403 Ca 0.00 2.37 0.07 0.00 -1.03 0.00 0.00 54.13 55.54 1opk s LEU 403 Cb 0.00 -4.59 -0.03 0.00 0.03 0.00 0.00 46.19 41.60 1opk s LEU 403 CO 0.00 -1.88 -0.20 -0.44 0.23 0.00 0.00 176.35 174.06 1opk s SER 404 N -1.82 2.34 -0.05 2.29 0.01 -0.62 -4.98 113.70 110.87 1opk s SER 404 Ca 0.76 -0.57 -0.23 0.00 1.31 0.00 0.00 55.95 57.22 1opk s SER 404 Cb -0.30 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.73 1opk s SER 404 CO 0.39 0.10 0.68 -0.13 0.41 0.00 0.00 173.24 174.69 1opk s ARG 405 N -1.43 4.42 -0.26 12.44 0.52 -1.26 -1.12 118.95 132.27 1opk s ARG 405 Ca 0.06 0.85 -0.09 0.00 -0.52 0.00 0.00 55.73 56.03 1opk s ARG 405 Cb -0.09 -3.43 0.11 0.00 0.52 0.00 0.00 34.95 32.06 1opk s ARG 405 CO 0.02 0.12 0.56 -1.17 0.02 0.00 0.00 175.30 174.86 1opk s LEU 406 N 0.61 -0.95 0.00 2.53 2.96 -0.38 -4.92 118.68 118.53 1opk s LEU 406 Ca 0.36 1.35 -0.33 0.00 -0.22 0.00 0.00 54.13 55.30 1opk s LEU 406 Cb -0.18 1.95 -0.11 0.00 0.50 0.00 0.00 46.19 48.34 1opk s LEU 406 CO 0.18 -0.22 1.85 0.23 -1.32 0.00 0.00 176.35 177.06 1opk n MET 407 N 5.38 2.39 -1.51 1.98 2.81 -1.26 -3.95 117.12 122.97 1opk n MET 407 Ca -0.11 0.88 -0.46 0.00 -1.81 0.00 0.00 57.70 56.19 1opk n MET 407 Cb 0.49 -2.74 -0.06 0.00 -0.71 0.00 0.00 33.22 30.21 1opk n MET 407 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1opk n THR 408 N 4.90 0.21 0.00 2.03 -1.04 -1.26 -0.12 114.28 119.01 1opk n THR 408 Ca 0.21 -0.37 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1opk n THR 408 Cb 0.33 -2.04 0.00 0.00 -1.82 0.00 0.00 70.33 66.80 1opk n THR 408 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1opk n GLY 409 N 6.23 1.57 3.96 3.41 0.00 -1.26 -5.10 105.19 114.01 1opk n GLY 409 Ca 0.38 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.15 1opk n GLY 409 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1opk s ASP 410 N -1.05 4.57 0.00 1.61 1.01 0.83 -5.08 116.67 118.56 1opk s ASP 410 Ca 0.00 0.04 0.08 0.00 0.71 0.00 0.00 52.55 53.37 1opk s ASP 410 Cb 0.00 -0.58 -0.02 0.00 1.01 0.00 0.00 42.92 43.33 1opk s ASP 410 CO 0.00 -1.71 -0.24 -0.89 0.21 0.00 0.00 175.17 172.54 1opk s THR 411 N -3.17 1.90 -0.14 -1.27 2.01 -1.26 -4.70 115.64 109.00 1opk s THR 411 Ca 0.63 -1.10 -0.04 0.00 0.31 0.00 0.00 61.69 61.49 1opk s THR 411 Cb -0.08 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 1opk s THR 411 CO 0.44 0.46 -0.02 -0.47 -0.69 0.00 0.00 174.62 174.34 1opk s TYR 412 N -0.63 3.07 -0.16 4.92 5.04 0.73 -4.93 117.35 125.40 1opk s TYR 412 Ca 0.09 -0.15 -0.03 0.00 -2.44 0.00 0.00 57.07 54.54 1opk s TYR 412 Cb -0.09 -1.93 -0.02 0.00 0.35 0.00 0.00 41.96 40.26 1opk s TYR 412 CO -0.00 0.09 -0.06 0.99 -1.34 0.00 0.00 175.55 175.23 1opk s THR 413 N 0.10 3.64 0.21 4.34 2.01 -1.26 0.35 115.64 125.03 1opk s THR 413 Ca 0.00 -0.44 -0.17 0.00 0.31 0.00 0.00 61.69 61.39 1opk s THR 413 Cb -0.13 -2.59 -0.08 0.00 0.01 0.00 0.00 72.50 69.71 1opk s THR 413 CO 0.02 0.49 0.66 0.00 -0.69 0.00 0.00 174.62 175.10 1opk s ALA 414 N 0.47 3.47 0.32 7.40 0.00 -0.19 -5.02 121.76 128.21 1opk s ALA 414 Ca -0.05 0.03 -0.29 0.00 0.00 0.00 0.00 51.96 51.65 1opk s ALA 414 Cb -0.15 -2.70 -0.11 0.00 0.00 0.00 0.00 23.12 20.17 1opk s ALA 414 CO 0.03 0.38 1.45 -3.38 0.00 0.00 0.00 175.76 174.24 1opk s HIS 415 N -1.57 2.82 0.42 0.00 -3.43 -1.26 -4.86 115.29 107.42 1opk s HIS 415 Ca 0.43 1.14 -0.23 0.00 -0.80 0.00 0.00 55.06 55.59 1opk s HIS 415 Cb -0.15 -3.90 -0.11 0.00 -1.43 0.00 0.00 32.58 26.99 1opk s HIS 415 CO 0.20 -2.73 0.79 0.00 -2.00 0.00 0.00 174.74 171.00 1opk n ALA 416 N 1.21 -0.65 0.00 -1.38 0.00 -1.26 -2.28 120.51 116.15 1opk n ALA 416 Ca 0.03 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1opk n ALA 416 Cb 0.40 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1opk n ALA 416 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1opk n GLY 417 N 1.48 3.29 3.67 0.00 0.00 -1.26 -5.05 105.19 107.32 1opk n GLY 417 Ca 0.11 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 1opk n GLY 417 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1opk n ALA 418 N -1.58 0.99 -2.77 4.61 0.00 -0.96 -4.95 120.51 115.83 1opk n ALA 418 Ca 0.00 0.41 -0.35 0.00 0.00 0.00 0.00 53.44 53.49 1opk n ALA 418 Cb 0.00 -2.25 -0.10 0.00 0.00 0.00 0.00 19.45 17.11 1opk n ALA 418 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1opk s LYS 419 N -0.68 4.02 0.30 0.00 -2.85 -1.26 -5.10 119.74 114.17 1opk s LYS 419 Ca 0.66 -0.31 0.11 0.00 -1.00 0.00 0.00 55.97 55.43 1opk s LYS 419 Cb -0.65 -3.36 -0.05 0.00 -2.06 0.00 0.00 37.83 31.71 1opk s LYS 419 CO 0.52 0.18 -0.10 -0.06 0.10 0.00 0.00 175.35 175.99 1opk s PHE 420 N 0.66 2.45 -0.93 1.78 0.40 -1.26 -5.05 117.98 116.03 1opk s PHE 420 Ca 0.06 -0.35 -0.24 0.00 -0.60 0.00 0.00 56.93 55.80 1opk s PHE 420 Cb -0.13 -1.18 0.05 0.00 0.51 0.00 0.00 43.02 42.27 1opk s PHE 420 CO 0.01 0.63 1.39 -1.25 0.70 0.00 0.00 175.22 176.71 1opk s PRO 421 N -3.60 3.46 0.28 0.24 0.04 -1.26 -4.87 135.00 129.29 1opk s PRO 421 Ca 0.32 -0.86 -0.05 0.00 0.04 0.00 0.00 61.00 60.45 1opk s PRO 421 Cb -0.03 -4.98 0.53 0.00 0.04 0.00 0.00 34.50 30.06 1opk s PRO 421 CO 0.17 -2.18 1.58 0.82 0.04 0.00 0.00 177.00 177.43 1opk h ILE 422 N 6.54 0.10 0.00 0.56 1.08 -1.96 -1.36 117.51 122.48 1opk h ILE 422 Ca 0.05 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 1opk h ILE 422 Cb 1.02 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.85 1opk h ILE 422 CO 1.38 0.00 0.00 0.11 -0.69 0.00 0.00 178.15 178.95 1opk h LYS 423 N 0.02 0.00 -0.19 2.37 1.57 -1.98 -2.07 116.57 116.29 1opk h LYS 423 Ca 0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 1opk h LYS 423 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1opk h LYS 423 CO -0.89 0.00 0.00 0.91 -0.57 0.00 0.00 179.45 178.90 1opk n TRP 424 N -2.96 0.25 -3.58 -1.35 8.01 -0.53 -4.96 117.44 112.32 1opk n TRP 424 Ca -0.02 -0.24 -0.36 0.00 -1.31 0.00 0.00 57.50 55.58 1opk n TRP 424 Cb 0.14 -0.01 -0.07 0.00 -2.01 0.00 0.00 31.31 29.36 1opk n TRP 424 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 1opk s THR 425 N -1.01 5.33 0.70 -0.99 2.01 -0.78 -4.10 115.64 116.80 1opk s THR 425 Ca 0.20 0.47 -0.15 0.00 0.31 0.00 0.00 61.69 62.52 1opk s THR 425 Cb 0.12 -3.60 0.02 0.00 0.01 0.00 0.00 72.50 69.05 1opk s THR 425 CO 0.16 0.40 1.17 0.00 -0.69 0.00 0.00 174.62 175.67 1opk s ALA 426 N 0.46 2.25 0.23 7.40 0.00 -1.26 -4.80 121.76 126.04 1opk s ALA 426 Ca 0.15 0.78 -0.06 0.00 0.00 0.00 0.00 51.96 52.83 1opk s ALA 426 Cb -0.12 -3.42 0.36 0.00 0.00 0.00 0.00 23.12 19.93 1opk s ALA 426 CO 0.02 -1.64 1.79 -1.35 0.00 0.00 0.00 175.76 174.59 1opk h PRO 427 N -0.11 0.66 0.00 0.00 0.11 -1.96 -1.10 132.00 129.60 1opk h PRO 427 Ca -0.48 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 1opk h PRO 427 Cb 1.28 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1opk h PRO 427 CO 0.51 0.44 -0.14 1.05 -0.21 0.00 0.00 178.00 179.65 1opk h GLU 428 N 0.68 0.00 0.04 1.05 9.09 -1.88 -1.19 114.58 122.37 1opk h GLU 428 Ca 0.37 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.61 1opk h GLU 428 Cb 0.36 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.47 1opk h GLU 428 CO -0.26 0.14 -0.68 0.77 0.05 0.00 0.00 179.01 179.03 1opk h SER 429 N 0.00 0.53 -0.61 3.06 0.02 -1.21 -0.47 113.55 114.86 1opk h SER 429 Ca -0.00 -0.81 -0.01 0.00 -0.84 0.00 0.00 61.79 60.13 1opk h SER 429 Cb 0.42 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 1opk h SER 429 CO 0.02 1.28 0.36 -0.07 -1.14 0.00 0.00 176.83 177.28 1opk h LEU 430 N -0.16 0.75 0.21 5.07 3.38 -0.88 0.17 115.31 123.84 1opk h LEU 430 Ca -0.10 -0.07 -0.35 0.00 0.09 0.00 0.00 57.88 57.45 1opk h LEU 430 Cb 1.42 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 42.00 1opk h LEU 430 CO 0.13 0.60 -1.67 0.00 0.09 0.00 0.00 178.44 177.59 1opk h ALA 431 N 1.18 0.06 0.00 1.53 0.00 -1.32 -3.41 119.26 117.30 1opk h ALA 431 Ca 0.22 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1opk h ALA 431 Cb -0.00 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1opk h ALA 431 CO -0.04 0.92 0.00 0.66 0.00 0.00 0.00 179.25 180.79 1opk n TYR 432 N -3.63 0.00 -1.88 0.00 4.02 -0.20 -4.99 117.16 110.48 1opk n TYR 432 Ca -0.22 -0.13 -0.18 0.00 -0.01 0.00 0.00 57.90 57.36 1opk n TYR 432 Cb 1.09 -0.01 -0.05 0.00 -0.02 0.00 0.00 39.34 40.35 1opk n TYR 432 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1opk n ASN 433 N -0.13 -5.14 -4.74 7.72 4.13 0.60 -4.83 115.26 112.87 1opk n ASN 433 Ca 0.00 0.24 -0.37 0.00 1.68 0.00 0.00 54.58 56.12 1opk n ASN 433 Cb 0.10 -4.21 -0.06 0.00 -1.54 0.00 0.00 39.78 34.06 1opk n ASN 433 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1opk s LYS 434 N -4.11 4.23 0.07 3.52 1.02 -1.13 -1.03 119.74 122.32 1opk s LYS 434 Ca 0.00 0.31 0.07 0.00 0.02 0.00 0.00 55.97 56.36 1opk s LYS 434 Cb 0.00 -3.39 -0.03 0.00 -0.52 0.00 0.00 37.83 33.89 1opk s LYS 434 CO 0.00 0.28 -0.18 -0.06 -0.92 0.00 0.00 175.35 174.47 1opk s PHE 435 N 0.27 1.56 0.38 3.18 0.40 0.16 -3.23 117.98 120.70 1opk s PHE 435 Ca 0.22 -0.40 -0.12 0.00 -0.60 0.00 0.00 56.93 56.03 1opk s PHE 435 Cb -0.15 -0.89 0.04 0.00 0.51 0.00 0.00 43.02 42.53 1opk s PHE 435 CO 0.08 0.11 0.71 -1.54 0.70 0.00 0.00 175.22 175.28 1opk s SER 436 N -1.53 0.29 0.58 1.36 1.04 -1.26 -0.19 113.70 113.99 1opk s SER 436 Ca 0.04 -1.27 0.33 0.00 0.48 0.00 0.00 55.95 55.53 1opk s SER 436 Cb -0.09 0.81 1.82 0.00 0.10 0.00 0.00 66.02 68.66 1opk s SER 436 CO 0.03 -1.60 2.21 -0.29 0.98 0.00 0.00 173.24 174.57 1opk h ILE 437 N 2.02 0.38 0.00 -1.02 6.09 -1.89 -0.66 117.51 122.44 1opk h ILE 437 Ca -0.31 -0.21 -0.10 0.00 -1.37 0.00 0.00 64.86 62.86 1opk h ILE 437 Cb 1.25 1.15 -0.01 0.00 0.47 0.00 0.00 36.82 39.67 1opk h ILE 437 CO 0.41 0.04 -0.50 0.11 -3.07 0.00 0.00 178.15 175.14 1opk h LYS 438 N 0.00 0.00 0.00 2.19 1.79 -1.94 -1.13 116.57 117.48 1opk h LYS 438 Ca -0.00 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.34 1opk h LYS 438 Cb 0.14 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 1opk h LYS 438 CO 0.01 0.50 -0.62 0.66 -1.08 0.00 0.00 179.45 178.91 1opk h SER 439 N 0.00 0.00 -0.07 0.86 4.64 -1.49 -2.34 113.55 115.14 1opk h SER 439 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.20 1opk h SER 439 Cb 1.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 1opk h SER 439 CO 0.06 0.62 -0.31 0.44 -0.87 0.00 0.00 176.83 176.78 1opk h ASP 440 N 0.00 0.56 -0.77 4.97 3.32 -1.14 -2.09 116.42 121.27 1opk h ASP 440 Ca -0.01 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 1opk h ASP 440 Cb 1.27 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.63 1opk h ASP 440 CO 0.08 0.84 0.44 0.58 -1.72 0.00 0.00 179.24 179.46 1opk h VAL 441 N 0.47 1.22 -0.32 -1.35 2.07 -0.85 0.14 116.25 117.62 1opk h VAL 441 Ca 0.06 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1opk h VAL 441 Cb 0.77 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1opk h VAL 441 CO 0.06 0.24 0.20 -0.25 0.02 0.00 0.00 177.57 177.84 1opk h TRP 442 N 1.05 0.42 -0.66 1.57 2.91 -1.11 -1.88 115.95 118.26 1opk h TRP 442 Ca 0.27 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.28 1opk h TRP 442 Cb -0.01 -0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 28.47 1opk h TRP 442 CO -0.00 0.28 0.36 0.00 -1.03 0.00 0.00 178.44 178.05 1opk h ALA 443 N 1.10 1.40 -0.53 2.65 0.00 -0.88 -1.12 119.26 121.88 1opk h ALA 443 Ca 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1opk h ALA 443 Cb -0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1opk h ALA 443 CO -0.02 0.50 0.28 0.35 0.00 0.00 0.00 179.25 180.35 1opk h PHE 444 N 0.91 0.71 -0.75 0.00 3.57 0.00 0.72 116.94 122.11 1opk h PHE 444 Ca 0.23 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 1opk h PHE 444 Cb 0.02 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.50 1opk h PHE 444 CO 0.01 0.51 0.40 0.78 -2.23 0.00 0.00 178.31 177.77 1opk h GLY 445 N 0.81 1.13 1.14 2.40 0.00 -0.46 0.21 103.07 108.30 1opk h GLY 445 Ca 0.19 -0.52 -0.13 0.00 0.00 0.00 0.00 47.33 46.86 1opk h GLY 445 CO -0.03 0.50 -0.20 -2.08 0.00 0.00 0.00 176.54 174.74 1opk h VAL 446 N 1.04 1.27 -0.84 4.60 2.07 -0.92 -2.07 116.25 121.40 1opk h VAL 446 Ca 0.26 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 1opk h VAL 446 Cb 0.06 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1opk h VAL 446 CO -0.04 0.47 0.49 0.25 0.02 0.00 0.00 177.57 178.76 1opk h LEU 447 N 0.86 1.02 -1.03 2.57 5.85 -0.37 -0.24 115.31 123.96 1opk h LEU 447 Ca 0.11 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1opk h LEU 447 Cb 0.77 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 1opk h LEU 447 CO 0.06 0.80 0.54 0.25 -0.34 0.00 0.00 178.44 179.76 1opk h LEU 448 N 1.16 1.06 -0.68 2.25 6.46 -0.31 0.14 115.31 125.39 1opk h LEU 448 Ca 0.30 -0.06 -0.11 0.00 -0.12 0.00 0.00 57.88 57.89 1opk h LEU 448 Cb -0.01 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.63 1opk h LEU 448 CO -0.05 0.81 -0.12 -0.25 -0.62 0.00 0.00 178.44 178.21 1opk h TRP 449 N 1.22 1.00 -0.82 1.25 7.01 -0.65 -0.42 115.95 124.55 1opk h TRP 449 Ca 0.32 -0.20 -0.04 0.00 2.11 0.00 0.00 58.89 61.08 1opk h TRP 449 Cb -0.06 -0.25 -0.04 0.00 -2.10 0.00 0.00 29.16 26.71 1opk h TRP 449 CO 0.00 0.96 0.35 0.93 -2.79 0.00 0.00 178.44 177.90 1opk h GLU 450 N 0.81 1.20 -0.15 2.65 5.08 -0.08 -1.82 114.58 122.27 1opk h GLU 450 Ca 0.13 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1opk h GLU 450 Cb 0.65 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1opk h GLU 450 CO 0.05 0.95 0.03 0.82 -1.00 0.00 0.00 179.01 179.86 1opk h ILE 451 N 1.18 1.21 0.00 3.13 2.04 -0.65 0.30 117.51 124.72 1opk h ILE 451 Ca 0.28 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1opk h ILE 451 Cb 0.18 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1opk h ILE 451 CO -0.03 0.20 0.00 0.00 0.00 0.00 0.00 178.15 178.32 1opk h ALA 452 N 0.82 1.00 -0.43 1.87 0.00 -0.87 -1.95 119.26 119.70 1opk h ALA 452 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1opk h ALA 452 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1opk h ALA 452 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.50 1opk n THR 453 N -2.75 0.88 -3.65 0.00 -2.24 -0.70 -4.85 114.28 100.97 1opk n THR 453 Ca -0.01 -0.94 -0.24 0.00 -2.27 0.00 0.00 64.05 60.59 1opk n THR 453 Cb 0.16 0.60 0.07 0.00 -2.10 0.00 0.00 70.33 69.05 1opk n THR 453 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1opk n TYR 454 N 0.92 -2.62 -1.25 4.78 4.01 -0.73 -3.61 117.16 118.65 1opk n TYR 454 Ca 0.15 0.98 0.00 0.00 -0.16 0.00 0.00 57.90 58.87 1opk n TYR 454 Cb 0.49 -4.80 0.00 0.00 -0.31 0.00 0.00 39.34 34.72 1opk n TYR 454 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1opk n GLY 455 N -1.80 0.80 3.79 2.72 0.00 0.10 -3.64 105.19 107.17 1opk n GLY 455 Ca -0.04 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 1opk n GLY 455 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1opk s MET 456 N -2.75 3.19 0.17 1.61 -1.94 -1.24 -4.91 119.30 113.44 1opk s MET 456 Ca 0.00 1.30 -0.30 0.00 -1.71 0.00 0.00 55.69 54.98 1opk s MET 456 Cb 0.00 -2.01 -0.08 0.00 2.01 0.00 0.00 34.83 34.75 1opk s MET 456 CO 0.00 -0.93 1.23 0.45 -0.01 0.00 0.00 175.02 175.76 1opk s SER 457 N -2.60 7.03 0.89 3.03 0.15 -1.26 -4.77 113.70 116.16 1opk s SER 457 Ca 0.66 2.25 -0.11 0.00 0.70 0.00 0.00 55.95 59.45 1opk s SER 457 Cb -0.18 -2.60 0.12 0.00 -1.71 0.00 0.00 66.02 61.65 1opk s SER 457 CO 0.37 -0.43 1.10 -2.84 1.20 0.00 0.00 173.24 172.64 1opk s PRO 458 N -0.03 1.31 -1.24 5.44 0.02 -1.26 -4.18 135.00 135.06 1opk s PRO 458 Ca 0.55 1.18 -0.09 0.00 0.02 0.00 0.00 61.00 62.65 1opk s PRO 458 Cb -0.33 -1.79 -0.01 0.00 0.02 0.00 0.00 34.50 32.39 1opk s PRO 458 CO 0.36 -2.31 0.68 0.66 -0.33 0.00 0.00 177.00 176.06 1opk n TYR 459 N -3.97 -1.88 -2.23 6.54 4.02 -1.26 -4.94 117.16 113.43 1opk n TYR 459 Ca 0.09 0.65 -0.41 0.00 -0.01 0.00 0.00 57.90 58.22 1opk n TYR 459 Cb 0.53 -3.81 -0.03 0.00 -0.02 0.00 0.00 39.34 36.02 1opk n TYR 459 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1opk s PRO 460 N -6.02 4.44 0.00 -0.72 0.04 -1.26 -2.85 135.00 128.62 1opk s PRO 460 Ca 0.23 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.34 1opk s PRO 460 Cb -0.08 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1opk s PRO 460 CO 0.85 -0.10 0.00 0.41 0.04 0.00 0.00 177.00 178.20 1opk n GLY 461 N 1.29 0.50 3.00 0.56 0.00 -1.26 -5.04 105.19 104.23 1opk n GLY 461 Ca 0.01 -0.40 -0.16 0.00 0.00 0.00 0.00 46.02 45.47 1opk n GLY 461 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1opk s ILE 462 N -2.00 0.52 -0.10 -0.61 1.01 -1.13 -5.14 121.20 113.75 1opk s ILE 462 Ca 0.00 -0.45 -0.15 0.00 0.00 0.00 0.00 60.65 60.05 1opk s ILE 462 Cb 0.00 -0.47 -0.05 0.00 0.01 0.00 0.00 42.46 41.95 1opk s ILE 462 CO 0.00 0.03 0.38 1.51 0.00 0.00 0.00 174.94 176.86 1opk s ASP 463 N -0.47 6.61 0.41 3.58 -4.77 -1.26 -4.97 116.67 115.80 1opk s ASP 463 Ca -0.00 0.73 0.22 0.00 -3.30 0.00 0.00 52.55 50.20 1opk s ASP 463 Cb -0.04 -2.23 1.22 0.00 -1.09 0.00 0.00 42.92 40.78 1opk s ASP 463 CO -0.00 0.14 1.72 -0.07 0.70 0.00 0.00 175.17 177.66 1opk h LEU 464 N 6.10 0.37 -2.39 2.11 3.38 -2.01 -0.23 115.31 122.64 1opk h LEU 464 Ca -0.44 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1opk h LEU 464 Cb 1.19 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1opk h LEU 464 CO 0.71 -0.01 0.01 0.77 0.09 0.00 0.00 178.44 180.01 1opk h SER 465 N 0.28 0.00 -0.10 -0.43 4.64 -2.05 -2.16 113.55 113.73 1opk h SER 465 Ca 0.67 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.99 1opk h SER 465 Cb 1.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.97 1opk h SER 465 CO -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.62 1opk n GLN 466 N -3.94 2.09 -0.04 4.77 6.02 -0.10 -4.68 117.38 121.49 1opk n GLN 466 Ca -0.03 -1.88 -0.08 0.00 -0.01 0.00 0.00 57.00 55.01 1opk n GLN 466 Cb 0.10 -1.43 -0.02 0.00 1.02 0.00 0.00 30.24 29.91 1opk n GLN 466 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1opk h VAL 467 N 4.22 0.69 -0.41 5.09 2.07 -1.40 -0.79 116.25 125.73 1opk h VAL 467 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1opk h VAL 467 Cb 0.91 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1opk h VAL 467 CO 0.00 0.00 0.24 0.22 0.02 0.00 0.00 177.57 178.05 1opk h TYR 468 N -0.07 0.54 -0.55 1.57 3.20 -1.83 -0.41 116.97 119.42 1opk h TYR 468 Ca 0.11 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.02 1opk h TYR 468 Cb 0.24 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 1opk h TYR 468 CO -0.26 0.39 0.31 1.49 -1.64 0.00 0.00 178.16 178.45 1opk h GLU 469 N 0.53 0.59 -0.29 1.82 4.81 -1.80 -0.07 114.58 120.16 1opk h GLU 469 Ca 0.15 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1opk h GLU 469 Cb 0.01 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1opk h GLU 469 CO -0.03 0.39 0.11 -0.07 -0.73 0.00 0.00 179.01 178.68 1opk h LEU 470 N 0.60 0.41 -1.15 1.64 3.38 -0.84 -2.62 115.31 116.74 1opk h LEU 470 Ca 0.23 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1opk h LEU 470 Cb 0.08 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1opk h LEU 470 CO -0.13 0.48 0.57 -0.07 0.09 0.00 0.00 178.44 179.39 1opk h LEU 471 N 0.32 0.99 -1.85 1.67 3.38 -0.77 -0.97 115.31 118.07 1opk h LEU 471 Ca 0.10 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1opk h LEU 471 Cb 0.21 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1opk h LEU 471 CO -0.01 0.71 -0.14 -0.08 0.09 0.00 0.00 178.44 179.02 1opk h GLU 472 N 1.17 0.00 -0.58 1.13 4.81 -0.70 -0.77 114.58 119.64 1opk h GLU 472 Ca 0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1opk h GLU 472 Cb -0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1opk h GLU 472 CO -0.07 0.14 0.00 1.63 -0.73 0.00 0.00 179.01 179.97 1opk n LYS 473 N -3.95 2.51 -1.22 1.92 5.02 -0.46 -4.91 118.16 117.07 1opk n LYS 473 Ca -0.02 -1.60 -0.07 0.00 -2.02 0.00 0.00 58.31 54.60 1opk n LYS 473 Cb 0.23 -1.60 -0.03 0.00 -0.02 0.00 0.00 35.03 33.60 1opk n LYS 473 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1opk n ASP 474 N 0.54 -4.02 -4.77 4.39 4.64 -0.29 -5.02 116.55 112.01 1opk n ASP 474 Ca 0.14 0.18 -0.38 0.00 -1.38 0.00 0.00 54.79 53.36 1opk n ASP 474 Cb 0.54 -2.17 -0.05 0.00 -1.04 0.00 0.00 41.12 38.40 1opk n ASP 474 CO 0.00 0.00 0.00 -0.47 -0.82 0.00 0.00 177.20 175.91 1opk s TYR 475 N -2.24 3.50 0.06 -0.67 5.04 -0.63 -5.00 117.35 117.42 1opk s TYR 475 Ca 0.00 1.71 -0.09 0.00 -2.44 0.00 0.00 57.07 56.25 1opk s TYR 475 Cb 0.00 -3.13 0.00 0.00 0.35 0.00 0.00 41.96 39.18 1opk s TYR 475 CO 0.00 -0.37 0.20 1.03 -1.34 0.00 0.00 175.55 175.07 1opk s ARG 476 N -1.99 0.77 0.68 4.97 1.81 -1.26 -4.25 118.95 119.68 1opk s ARG 476 Ca 0.51 -0.78 -0.17 0.00 -1.72 0.00 0.00 55.73 53.57 1opk s ARG 476 Cb -0.25 0.32 0.00 0.00 -0.45 0.00 0.00 34.95 34.57 1opk s ARG 476 CO 0.31 -0.23 1.15 -1.33 -0.68 0.00 0.00 175.30 174.52 1opk n MET 477 N 0.32 0.79 -2.09 3.54 2.81 -1.26 -4.96 117.12 116.27 1opk n MET 477 Ca -0.17 0.33 -0.32 0.00 -1.81 0.00 0.00 57.70 55.73 1opk n MET 477 Cb 0.61 -2.38 -0.01 0.00 -0.71 0.00 0.00 33.22 30.73 1opk n MET 477 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1opk s GLU 478 N -3.37 3.67 0.19 0.03 2.02 -1.26 -4.98 118.70 115.00 1opk s GLU 478 Ca 0.78 0.90 -0.32 0.00 0.02 0.00 0.00 54.97 56.36 1opk s GLU 478 Cb -0.36 -2.09 -0.11 0.00 0.10 0.00 0.00 34.13 31.66 1opk s GLU 478 CO 0.45 -0.51 1.70 0.50 0.02 0.00 0.00 175.26 177.42 1opk s ARG 479 N -4.57 4.14 0.64 1.61 3.52 -1.26 -4.94 118.95 118.09 1opk s ARG 479 Ca 0.58 2.56 -0.18 0.00 -0.13 0.00 0.00 55.73 58.57 1opk s ARG 479 Cb -0.11 -3.12 -0.01 0.00 -1.56 0.00 0.00 34.95 30.14 1opk s ARG 479 CO 0.42 -0.73 1.24 -2.14 -0.81 0.00 0.00 175.30 173.28 1opk s PRO 480 N 1.28 2.64 0.01 5.12 0.02 -1.26 -4.88 135.00 137.93 1opk s PRO 480 Ca 0.74 1.89 -0.35 0.00 0.02 0.00 0.00 61.00 63.31 1opk s PRO 480 Cb -0.48 -1.88 -0.13 0.00 0.02 0.00 0.00 34.50 32.02 1opk s PRO 480 CO 0.32 -1.48 1.71 -1.91 -0.33 0.00 0.00 177.00 175.31 1opk n GLU 481 N -1.95 2.01 -0.38 5.54 2.13 -1.26 -1.08 120.64 125.64 1opk n GLU 481 Ca 0.14 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.69 1opk n GLU 481 Cb 0.49 -2.52 0.00 0.00 0.27 0.00 0.00 31.44 29.68 1opk n GLU 481 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1opk n GLY 482 N 3.85 2.23 3.70 8.31 0.00 -1.26 -5.00 105.19 117.02 1opk n GLY 482 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1opk n GLY 482 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1opk s PRO 484 N 2.08 3.26 0.23 0.00 0.04 -1.26 -4.84 135.00 134.50 1opk s PRO 484 Ca 0.70 2.11 -0.07 0.00 0.04 0.00 0.00 61.00 63.77 1opk s PRO 484 Cb -0.38 -2.27 0.37 0.00 0.04 0.00 0.00 34.50 32.26 1opk s PRO 484 CO 0.31 -1.06 1.70 1.49 0.04 0.00 0.00 177.00 179.48 1opk h GLU 485 N 1.54 0.29 -0.01 4.56 4.57 -1.92 -1.51 114.58 122.11 1opk h GLU 485 Ca -0.51 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 57.62 1opk h GLU 485 Cb 1.29 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.81 1opk h GLU 485 CO 0.58 0.19 -0.17 0.87 -1.18 0.00 0.00 179.01 179.31 1opk h LYS 486 N 0.30 0.01 -0.17 1.92 1.57 -1.97 -0.39 116.57 117.84 1opk h LYS 486 Ca 0.36 -0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 59.00 1opk h LYS 486 Cb 0.56 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1opk h LYS 486 CO -0.43 0.17 -0.45 0.28 -0.57 0.00 0.00 179.45 178.46 1opk h VAL 487 N 0.01 1.34 -0.46 0.50 2.07 -1.66 -2.53 116.25 115.51 1opk h VAL 487 Ca 0.00 -1.70 -0.08 0.00 0.82 0.00 0.00 66.70 65.74 1opk h VAL 487 Cb 0.30 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 1opk h VAL 487 CO 0.02 0.52 -0.03 0.22 0.02 0.00 0.00 177.57 178.32 1opk h TYR 488 N 0.26 0.84 -0.41 1.57 3.20 -0.93 -1.80 116.97 119.70 1opk h TYR 488 Ca -0.01 -0.13 -0.04 0.00 3.14 0.00 0.00 58.73 61.69 1opk h TYR 488 Cb 1.06 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 1opk h TYR 488 CO 0.10 0.79 0.08 0.93 -1.64 0.00 0.00 178.16 178.42 1opk h GLU 489 N 0.73 0.62 -0.56 1.82 5.08 -1.05 0.15 114.58 121.37 1opk h GLU 489 Ca 0.14 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1opk h GLU 489 Cb 0.49 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1opk h GLU 489 CO 0.02 0.58 0.16 1.25 -1.00 0.00 0.00 179.01 180.03 1opk h LEU 490 N 0.60 0.82 -0.47 1.33 6.46 -0.95 -0.46 115.31 122.65 1opk h LEU 490 Ca 0.14 -0.22 0.03 0.00 -0.12 0.00 0.00 57.88 57.71 1opk h LEU 490 Cb 0.26 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 39.94 1opk h LEU 490 CO 0.00 0.82 0.25 0.24 -0.62 0.00 0.00 178.44 179.13 1opk h MET 491 N 0.78 0.48 -0.05 1.25 2.86 -0.49 -1.09 114.93 118.67 1opk h MET 491 Ca 0.18 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.73 1opk h MET 491 Cb 0.30 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1opk h MET 491 CO -0.00 0.32 -0.25 0.00 1.06 0.00 0.00 176.91 178.04 1opk h ARG 492 N 0.49 0.09 -0.44 1.72 2.47 -0.61 -1.79 114.38 116.31 1opk h ARG 492 Ca 0.20 -0.02 -0.14 0.00 -1.26 0.00 0.00 59.98 58.75 1opk h ARG 492 Cb 0.08 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 1opk h ARG 492 CO -0.12 0.33 -0.28 0.00 0.56 0.00 0.00 179.97 180.46 1opk h ALA 493 N 1.67 0.63 -0.01 0.04 0.00 -0.43 -2.77 119.26 118.39 1opk h ALA 493 Ca 0.01 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1opk h ALA 493 Cb 0.49 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1opk h ALA 493 CO 0.03 0.66 -0.24 0.00 0.00 0.00 0.00 179.25 179.71 1opk n TRP 495 N -4.25 1.84 -2.04 0.00 8.01 -0.72 -3.84 117.44 116.45 1opk n TRP 495 Ca -0.02 -0.96 -0.40 0.00 -1.31 0.00 0.00 57.50 54.81 1opk n TRP 495 Cb 0.30 -0.56 -0.01 0.00 -2.01 0.00 0.00 31.31 29.02 1opk n TRP 495 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 1opk s GLN 496 N -2.33 4.13 0.11 -0.99 -1.52 -1.09 -4.92 119.66 113.06 1opk s GLN 496 Ca 0.40 2.24 -0.23 0.00 -1.95 0.00 0.00 55.36 55.82 1opk s GLN 496 Cb 0.32 -2.90 -0.08 0.00 -0.22 0.00 0.00 33.01 30.13 1opk s GLN 496 CO 0.10 -0.39 1.69 2.35 -0.25 0.00 0.00 175.29 178.79 1opk h TRP 497 N 2.98 -0.26 -3.18 0.91 2.91 -1.93 -3.40 115.95 113.99 1opk h TRP 497 Ca -0.50 0.01 -0.57 0.00 1.13 0.00 0.00 58.89 58.96 1opk h TRP 497 Cb 1.24 0.12 -0.05 0.00 -0.51 0.00 0.00 29.16 29.96 1opk h TRP 497 CO 0.54 -0.16 0.67 1.21 -1.03 0.00 0.00 178.44 179.67 1opk s ASN 498 N -5.05 7.16 0.43 2.65 3.84 -1.26 -4.85 114.94 117.86 1opk s ASN 498 Ca -0.14 1.44 0.17 0.00 0.21 0.00 0.00 52.86 54.53 1opk s ASN 498 Cb 0.08 -2.54 1.07 0.00 -0.55 0.00 0.00 41.25 39.31 1opk s ASN 498 CO 0.67 -0.55 1.91 1.55 -2.79 0.00 0.00 177.10 177.88 1opk h PRO 499 N 7.28 0.39 0.00 0.43 0.13 -1.95 0.11 132.00 138.38 1opk h PRO 499 Ca -0.25 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1opk h PRO 499 Cb 1.10 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1opk h PRO 499 CO 0.91 0.26 0.00 -1.13 -0.23 0.00 0.00 178.00 177.81 1opk n SER 500 N -4.48 0.48 -0.01 1.44 3.41 -1.26 -2.16 113.62 111.04 1opk n SER 500 Ca 0.15 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.51 1opk n SER 500 Cb 0.57 -0.72 0.36 0.00 -0.26 0.00 0.00 64.21 64.16 1opk n SER 500 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1opk n ASP 501 N -2.03 0.40 -4.83 4.04 8.00 0.37 -4.90 116.55 117.61 1opk n ASP 501 Ca 0.03 -0.11 -0.33 0.00 0.71 0.00 0.00 54.79 55.08 1opk n ASP 501 Cb 0.22 0.06 -0.07 0.00 -0.02 0.00 0.00 41.12 41.31 1opk n ASP 501 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1opk s ARG 502 N -2.96 4.18 0.78 -1.24 0.52 -0.92 -4.89 118.95 114.43 1opk s ARG 502 Ca 0.13 0.95 -0.11 0.00 -0.52 0.00 0.00 55.73 56.18 1opk s ARG 502 Cb 0.18 -2.40 0.06 0.00 0.52 0.00 0.00 34.95 33.31 1opk s ARG 502 CO 0.64 0.11 1.08 -1.25 0.02 0.00 0.00 175.30 175.91 1opk s PRO 503 N -2.89 2.20 0.66 3.54 0.04 -1.26 -5.05 135.00 132.24 1opk s PRO 503 Ca 0.56 0.97 -0.08 0.00 0.04 0.00 0.00 61.00 62.50 1opk s PRO 503 Cb -0.11 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.55 1opk s PRO 503 CO 0.16 -1.63 0.99 -1.54 0.04 0.00 0.00 177.00 175.02 1opk s SER 504 N -3.57 5.30 0.36 6.66 1.04 -1.26 -4.90 113.70 117.33 1opk s SER 504 Ca 0.61 0.74 0.14 0.00 0.48 0.00 0.00 55.95 57.92 1opk s SER 504 Cb -0.16 -1.58 0.68 0.00 0.10 0.00 0.00 66.02 65.06 1opk s SER 504 CO 0.56 -1.31 1.78 -0.26 0.98 0.00 0.00 173.24 174.99 1opk h PHE 505 N -0.44 0.00 -0.70 5.02 0.04 -1.94 -1.05 116.94 117.87 1opk h PHE 505 Ca -0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.32 1opk h PHE 505 Cb 1.27 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.39 1opk h PHE 505 CO 0.43 0.41 0.44 0.00 -0.60 0.00 0.00 178.31 179.00 1opk h ALA 506 N 1.59 0.89 -0.27 2.45 0.00 -1.89 0.52 119.26 122.54 1opk h ALA 506 Ca -0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1opk h ALA 506 Cb 0.78 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1opk h ALA 506 CO 0.05 0.34 -0.35 0.93 0.00 0.00 0.00 179.25 180.23 1opk h GLU 507 N 0.95 0.59 -0.17 0.00 5.08 -1.78 -1.91 114.58 117.33 1opk h GLU 507 Ca 0.25 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1opk h GLU 507 Cb -0.07 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1opk h GLU 507 CO -0.05 0.85 0.02 0.82 -1.00 0.00 0.00 179.01 179.64 1opk h ILE 508 N 0.49 1.24 -0.22 3.13 2.04 -0.80 -0.59 117.51 122.81 1opk h ILE 508 Ca 0.05 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 1opk h ILE 508 Cb 0.83 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 1opk h ILE 508 CO 0.07 0.24 0.14 -0.74 0.00 0.00 0.00 178.15 177.85 1opk h HIS 509 N 0.07 0.29 -0.52 1.37 2.76 -0.80 -1.96 115.15 116.35 1opk h HIS 509 Ca 0.05 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1opk h HIS 509 Cb 0.34 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.18 1opk h HIS 509 CO 0.03 0.21 0.32 0.37 -1.30 0.00 0.00 177.93 177.56 1opk h GLN 510 N 0.27 0.69 -0.63 5.26 5.75 -1.32 -2.17 115.11 122.96 1opk h GLN 510 Ca 0.08 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.48 1opk h GLN 510 Cb 0.01 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.38 1opk h GLN 510 CO -0.02 0.48 0.22 0.00 -2.65 0.00 0.00 178.83 176.87 1opk h ALA 511 N 1.64 0.83 -0.40 3.38 0.00 -0.40 -2.41 119.26 121.90 1opk h ALA 511 Ca 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1opk h ALA 511 Cb -0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1opk h ALA 511 CO -0.04 0.48 0.22 0.74 0.00 0.00 0.00 179.25 180.65 1opk h PHE 512 N 0.90 0.56 0.00 0.00 0.04 -0.77 -2.09 116.94 115.58 1opk h PHE 512 Ca 0.21 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.94 1opk h PHE 512 Cb 0.26 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 38.23 1opk h PHE 512 CO 0.02 0.44 -0.09 0.93 -0.60 0.00 0.00 178.31 179.00 1opk h GLU 513 N 0.52 0.00 -0.36 1.51 4.39 -1.16 -2.63 114.58 116.85 1opk h GLU 513 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1opk h GLU 513 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1opk h GLU 513 CO -0.02 0.09 0.00 0.25 -1.16 0.00 0.00 179.01 178.17 1opk n THR 514 N -3.94 1.69 0.08 1.13 -2.24 -0.93 -4.73 114.28 105.34 1opk n THR 514 Ca -0.02 -1.40 -0.10 0.00 -2.27 0.00 0.00 64.05 60.26 1opk n THR 514 Cb 0.18 0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.51 1opk n THR 514 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1opk h MET 515 N 2.26 0.23 -2.17 -0.78 -1.53 -0.99 -3.38 114.93 108.57 1opk h MET 515 Ca 0.00 -0.26 -0.57 0.00 -3.44 0.00 0.00 59.70 55.43 1opk h MET 515 Cb 1.15 0.08 -0.41 0.00 -0.55 0.00 0.00 31.60 31.87 1opk h MET 515 CO 0.13 0.99 -0.76 1.19 0.14 0.00 0.00 176.91 178.60 1opk n PHE 516 N -3.66 2.79 0.16 1.39 3.01 -1.26 -4.88 117.46 115.00 1opk n PHE 516 Ca -0.04 -3.97 0.11 0.00 1.01 0.00 0.00 57.45 54.55 1opk n PHE 516 Cb 0.82 -0.49 0.08 0.00 -0.01 0.00 0.00 39.48 39.88 1opk n PHE 516 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1opk h GLN 517 N 3.55 0.00 -0.12 -1.08 4.20 -1.92 -3.36 115.11 116.37 1opk h GLN 517 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1opk h GLN 517 Cb 0.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1opk h GLN 517 CO 0.73 0.04 0.00 0.39 -0.67 0.00 0.00 178.83 179.32 1opk n GLU 518 N -2.91 2.07 0.00 1.46 4.71 -1.26 -5.01 120.64 119.70 1opk n GLU 518 Ca 0.02 -2.66 0.00 0.00 -0.01 0.00 0.00 57.16 54.51 1opk n GLU 518 Cb 0.56 -1.64 0.00 0.00 -1.01 0.00 0.00 31.44 29.36 1opk n GLU 518 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1opk n SER 519 N -0.97 0.00 -4.92 1.62 3.41 -1.26 -5.17 113.62 106.34 1opk n SER 519 Ca 0.18 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.52 1opk n SER 519 Cb 0.74 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.73 1opk n SER 519 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1opk s SER 520 N 0.00 5.46 0.36 4.04 1.04 -1.26 -4.62 113.70 118.72 1opk s SER 520 Ca 0.00 0.71 0.09 0.00 0.48 0.00 0.00 55.95 57.23 1opk s SER 520 Cb 0.00 -1.63 0.69 0.00 0.10 0.00 0.00 66.02 65.18 1opk s SER 520 CO 0.00 -1.17 1.86 -0.29 0.98 0.00 0.00 173.24 174.62 1opk h ILE 521 N -0.28 1.22 -0.45 -1.02 2.10 -1.97 -1.55 117.51 115.56 1opk h ILE 521 Ca -0.45 -0.99 0.03 0.00 1.08 0.00 0.00 64.86 64.53 1opk h ILE 521 Cb 1.26 1.34 -0.04 0.00 -1.09 0.00 0.00 36.82 38.30 1opk h ILE 521 CO 0.61 0.30 0.24 0.28 -1.08 0.00 0.00 178.15 178.50 1opk h SER 522 N 0.22 0.36 -0.73 2.19 0.02 -1.94 -0.42 113.55 113.24 1opk h SER 522 Ca 0.04 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 1opk h SER 522 Cb 0.50 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 1opk h SER 522 CO 0.03 0.25 0.22 0.44 -1.14 0.00 0.00 176.83 176.64 1opk h ASP 523 N 0.47 1.06 -0.57 3.07 3.32 -1.69 -2.74 116.42 119.34 1opk h ASP 523 Ca 0.19 -0.21 -0.10 0.00 0.02 0.00 0.00 57.03 56.93 1opk h ASP 523 Cb 0.08 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 1opk h ASP 523 CO -0.12 0.99 -0.04 -0.33 -1.72 0.00 0.00 179.24 178.02 1opk h GLU 524 N 1.08 1.05 -0.53 3.56 4.39 -0.69 -2.15 114.58 121.30 1opk h GLU 524 Ca 0.23 -0.35 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 1opk h GLU 524 Cb 0.31 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 1opk h GLU 524 CO -0.01 1.05 0.32 0.28 -1.16 0.00 0.00 179.01 179.49 1opk h VAL 525 N 0.95 1.15 0.31 3.13 2.07 -0.98 -1.54 116.25 121.34 1opk h VAL 525 Ca 0.16 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1opk h VAL 525 Cb 0.61 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1opk h VAL 525 CO 0.04 0.16 -0.15 -0.33 0.02 0.00 0.00 177.57 177.31 1opk h GLU 526 N 0.72 -0.40 -0.78 1.57 4.39 -1.13 -1.03 114.58 117.93 1opk h GLU 526 Ca 0.19 0.03 0.10 0.00 0.34 0.00 0.00 59.36 60.02 1opk h GLU 526 Cb -0.03 0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 28.64 1opk h GLU 526 CO -0.04 -0.20 0.41 0.87 -1.16 0.00 0.00 179.01 178.89 1opk h LYS 527 N -0.50 0.66 -0.78 2.33 1.57 -0.94 0.48 116.57 119.38 1opk h LYS 527 Ca -0.04 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1opk h LYS 527 Cb 0.38 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 1opk h LYS 527 CO 0.07 0.43 0.38 0.93 -0.57 0.00 0.00 179.45 180.69 1opk h GLU 528 N 0.68 1.11 0.00 3.15 4.39 -1.06 -2.83 114.58 120.02 1opk h GLU 528 Ca 0.39 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.90 1opk h GLU 528 Cb 0.42 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1opk h GLU 528 CO -0.28 0.85 -0.24 -0.07 -1.16 0.00 0.00 179.01 178.11 1opk h LEU 529 N 1.10 0.00 -1.19 1.33 3.38 -0.31 -3.33 115.31 116.30 1opk h LEU 529 Ca 0.27 -0.43 0.40 0.00 0.09 0.00 0.00 57.88 58.21 1opk h LEU 529 Cb 0.10 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.70 1opk h LEU 529 CO -0.04 0.86 0.69 1.23 0.09 0.00 0.00 178.44 181.27 1opk h GLY 530 N -1.00 1.78 1.00 0.83 0.00 -0.14 -3.51 103.07 102.02 1opk h GLY 530 Ca -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1opk h GLY 530 CO -0.03 -0.54 0.00 1.17 0.00 0.00 0.00 176.54 177.14