#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x7g s VAL 82 N 0.00 0.95 0.12 0.52 1.01 -1.26 -4.93 120.40 116.81 2x7g s VAL 82 Ca 0.00 -1.18 0.02 0.00 0.00 0.00 0.00 61.98 60.81 2x7g s VAL 82 Cb 0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 2x7g s VAL 82 CO 0.00 -0.23 -0.05 -0.54 0.00 0.00 0.00 175.10 174.29 2x7g s LYS 83 N -1.58 0.90 -0.08 2.72 3.01 -1.26 -5.11 119.74 118.33 2x7g s LYS 83 Ca -0.03 -1.38 -0.30 0.00 -1.01 0.00 0.00 55.97 53.24 2x7g s LYS 83 Cb -0.10 -0.20 -0.02 0.00 -1.01 0.00 0.00 37.83 36.50 2x7g s LYS 83 CO 0.02 -0.05 1.13 0.42 0.51 0.00 0.00 175.35 177.37 2x7g s ILE 84 N -3.65 4.46 0.00 2.17 1.09 -1.26 -2.75 121.20 121.26 2x7g s ILE 84 Ca 0.15 1.76 0.00 0.00 -1.10 0.00 0.00 60.65 61.46 2x7g s ILE 84 Cb 0.06 -4.13 0.00 0.00 -1.06 0.00 0.00 42.46 37.32 2x7g s ILE 84 CO -0.03 -0.01 0.00 0.61 -0.10 0.00 0.00 174.94 175.41 2x7g n GLY 85 N 3.28 1.19 3.55 6.18 0.00 -0.21 -5.03 105.19 114.15 2x7g n GLY 85 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2x7g n GLY 85 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2x7g n ASP 86 N 0.00 -0.51 -4.14 1.61 8.00 -1.11 -4.60 116.55 115.80 2x7g n ASP 86 Ca 0.00 0.51 -0.33 0.00 0.71 0.00 0.00 54.79 55.68 2x7g n ASP 86 Cb 0.00 -1.34 -0.16 0.00 -0.02 0.00 0.00 41.12 39.60 2x7g n ASP 86 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2x7g s LEU 87 N -2.79 2.21 0.01 0.64 2.96 -1.26 -1.11 118.68 119.34 2x7g s LEU 87 Ca 0.66 -0.62 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 2x7g s LEU 87 Cb -0.29 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 2x7g s LEU 87 CO 0.58 0.00 0.00 -0.36 -1.32 0.00 0.00 176.35 175.25 2x7g s PHE 88 N 1.28 3.07 -1.17 5.38 0.08 0.27 -4.57 117.98 122.31 2x7g s PHE 88 Ca 0.04 0.07 0.00 0.00 0.12 0.00 0.00 56.93 57.16 2x7g s PHE 88 Cb -0.13 -1.66 0.00 0.00 -0.57 0.00 0.00 43.02 40.66 2x7g s PHE 88 CO -0.11 0.46 0.00 -1.71 -0.10 0.00 0.00 175.22 173.76 2x7g n ASN 89 N 1.32 -3.96 -0.78 1.36 5.15 -1.26 -0.60 115.26 116.49 2x7g n ASN 89 Ca -0.14 0.20 -0.10 0.00 -0.60 0.00 0.00 54.58 53.94 2x7g n ASN 89 Cb 0.53 -3.41 -0.04 0.00 -0.53 0.00 0.00 39.78 36.32 2x7g n ASN 89 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2x7g n GLY 90 N -0.71 1.13 0.00 8.20 0.00 -1.26 -4.76 105.19 107.78 2x7g n GLY 90 Ca -0.15 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2x7g n GLY 90 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2x7g n ARG 91 N -2.22 0.19 -3.41 1.61 1.85 0.13 -4.92 116.66 109.89 2x7g n ARG 91 Ca -0.10 0.00 -0.44 0.00 -1.00 0.00 0.00 57.85 56.31 2x7g n ARG 91 Cb 0.39 -0.02 -0.07 0.00 -1.05 0.00 0.00 32.46 31.72 2x7g n ARG 91 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2x7g s TYR 92 N -0.05 3.32 -0.45 2.89 1.51 0.23 -0.72 117.35 124.08 2x7g s TYR 92 Ca 0.00 -1.50 -0.26 0.00 -1.01 0.00 0.00 57.07 54.29 2x7g s TYR 92 Cb 0.00 -3.64 0.03 0.00 -0.11 0.00 0.00 41.96 38.23 2x7g s TYR 92 CO 0.00 -1.00 0.98 -1.58 -1.11 0.00 0.00 175.55 172.84 2x7g s HIS 93 N 1.51 2.93 -0.07 2.71 2.46 -0.09 -0.57 115.29 124.17 2x7g s HIS 93 Ca 0.04 0.55 -0.30 0.00 0.47 0.00 0.00 55.06 55.82 2x7g s HIS 93 Cb -0.28 -4.02 -0.03 0.00 -0.13 0.00 0.00 32.58 28.12 2x7g s HIS 93 CO 0.02 -1.08 1.17 0.08 -2.47 0.00 0.00 174.74 172.45 2x7g s VAL 94 N 3.87 4.35 -0.23 0.89 1.01 -0.27 0.75 120.40 130.77 2x7g s VAL 94 Ca 0.40 1.66 -0.02 0.00 0.00 0.00 0.00 61.98 64.02 2x7g s VAL 94 Cb -0.10 -4.07 -0.13 0.00 0.00 0.00 0.00 36.38 32.08 2x7g s VAL 94 CO 0.26 -0.01 -0.23 -0.38 0.00 0.00 0.00 175.10 174.74 2x7g n ILE 95 N 4.66 1.28 -3.52 2.22 2.08 0.50 -1.04 119.36 125.53 2x7g n ILE 95 Ca 0.11 -0.44 -0.08 0.00 0.56 0.00 0.00 62.75 62.90 2x7g n ILE 95 Cb 0.46 -1.43 -0.02 0.00 -0.75 0.00 0.00 39.64 37.90 2x7g n ILE 95 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 2x7g s ARG 96 N -2.44 0.72 0.20 0.38 3.52 -1.12 -4.83 118.95 115.39 2x7g s ARG 96 Ca -0.31 -0.24 -0.30 0.00 -0.13 0.00 0.00 55.73 54.75 2x7g s ARG 96 Cb 0.09 0.33 -0.08 0.00 -1.56 0.00 0.00 34.95 33.73 2x7g s ARG 96 CO 0.48 -0.31 1.12 0.15 -0.81 0.00 0.00 175.30 175.93 2x7g s LYS 97 N -2.88 4.58 -0.05 5.12 1.02 -1.26 -0.53 119.74 125.74 2x7g s LYS 97 Ca 0.05 1.77 0.15 0.00 0.02 0.00 0.00 55.97 57.97 2x7g s LYS 97 Cb -0.01 -3.25 -0.22 0.00 -0.52 0.00 0.00 37.83 33.84 2x7g s LYS 97 CO -0.08 0.07 0.56 1.28 -0.92 0.00 0.00 175.35 176.26 2x7g n LEU 98 N 2.12 0.64 0.00 3.17 4.77 -0.34 -4.82 117.00 122.54 2x7g n LEU 98 Ca 0.02 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2x7g n LEU 98 Cb 0.45 0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 2x7g n LEU 98 CO 0.54 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 2x7g n GLY 99 N 1.55 -0.07 3.25 -0.72 0.00 -1.15 -5.01 105.19 103.04 2x7g n GLY 99 Ca -0.18 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 2x7g n GLY 99 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2x7g s TRP 100 N -2.63 2.49 0.00 1.61 0.51 -1.26 -0.22 118.94 119.43 2x7g s TRP 100 Ca 0.00 -0.84 0.00 0.00 -2.12 0.00 0.00 56.10 53.14 2x7g s TRP 100 Cb 0.00 -1.64 0.00 0.00 -0.81 0.00 0.00 33.47 31.02 2x7g s TRP 100 CO 0.00 -0.29 0.00 0.41 -0.51 0.00 0.00 176.95 176.56 2x7g n GLY 101 N 3.16 0.04 0.10 0.98 0.00 -0.32 -4.97 105.19 104.18 2x7g n GLY 101 Ca -0.18 -1.60 -0.13 0.00 0.00 0.00 0.00 46.02 44.11 2x7g n GLY 101 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2x7g h HIS 102 N 0.00 0.24 0.00 1.61 -0.00 -2.03 -3.39 115.15 111.58 2x7g h HIS 102 Ca 0.00 -0.18 -0.00 0.00 -0.00 0.00 0.00 60.37 60.19 2x7g h HIS 102 Cb 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.39 2x7g h HIS 102 CO 0.00 1.26 -0.22 1.19 -0.00 0.00 0.00 177.93 180.16 2x7g n PHE 103 N -3.30 0.00 -3.82 2.45 3.72 -1.26 -5.09 117.46 110.16 2x7g n PHE 103 Ca -0.17 -0.66 -0.08 0.00 -0.05 0.00 0.00 57.45 56.50 2x7g n PHE 103 Cb 1.03 -0.12 0.02 0.00 -0.94 0.00 0.00 39.48 39.47 2x7g n PHE 103 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2x7g s SER 104 N -2.22 -0.02 -0.02 4.37 1.04 -1.26 -1.77 113.70 113.82 2x7g s SER 104 Ca 0.21 -1.01 0.01 0.00 0.48 0.00 0.00 55.95 55.64 2x7g s SER 104 Cb 0.19 0.78 0.02 0.00 0.10 0.00 0.00 66.02 67.10 2x7g s SER 104 CO 0.01 -1.53 -0.01 -0.89 0.98 0.00 0.00 173.24 171.80 2x7g s THR 105 N -2.44 0.19 -0.12 2.02 2.01 -0.23 -1.18 115.64 115.89 2x7g s THR 105 Ca 0.16 0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.16 2x7g s THR 105 Cb -0.05 -0.25 -0.03 0.00 0.01 0.00 0.00 72.50 72.18 2x7g s THR 105 CO 0.10 0.12 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.43 2x7g s VAL 106 N 0.72 4.02 -0.07 3.82 1.01 0.70 -0.77 120.40 129.82 2x7g s VAL 106 Ca -0.07 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.62 2x7g s VAL 106 Cb -0.10 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.55 2x7g s VAL 106 CO -0.01 0.54 -0.19 0.26 0.00 0.00 0.00 175.10 175.69 2x7g s TRP 107 N -0.16 2.03 -0.22 5.22 0.52 -0.48 -1.20 118.94 124.65 2x7g s TRP 107 Ca 0.04 -0.72 -0.29 0.00 0.02 0.00 0.00 56.10 55.15 2x7g s TRP 107 Cb -0.13 -1.38 -0.00 0.00 -1.15 0.00 0.00 33.47 30.81 2x7g s TRP 107 CO 0.02 -0.28 1.19 -1.17 0.02 0.00 0.00 176.95 176.73 2x7g s LEU 108 N 0.26 4.09 0.25 2.99 2.96 0.31 -0.47 118.68 129.06 2x7g s LEU 108 Ca -0.11 1.48 0.11 0.00 -0.22 0.00 0.00 54.13 55.38 2x7g s LEU 108 Cb -0.15 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.95 2x7g s LEU 108 CO 0.05 -0.79 -0.19 0.00 -1.32 0.00 0.00 176.35 174.09 2x7g s TRP 110 N -2.48 3.20 -0.36 0.00 -0.11 0.23 -0.56 118.94 118.86 2x7g s TRP 110 Ca 0.27 0.00 -0.25 0.00 1.22 0.00 0.00 56.10 57.34 2x7g s TRP 110 Cb -0.05 -2.31 0.01 0.00 -1.50 0.00 0.00 33.47 29.63 2x7g s TRP 110 CO 0.12 -0.15 0.88 0.34 -4.62 0.00 0.00 176.95 173.52 2x7g s ASP 111 N 1.52 6.64 0.22 5.86 2.15 -0.59 -0.91 116.67 131.55 2x7g s ASP 111 Ca 0.07 0.51 0.00 0.00 0.43 0.00 0.00 52.55 53.57 2x7g s ASP 111 Cb -0.15 -2.44 0.19 0.00 -0.30 0.00 0.00 42.92 40.22 2x7g s ASP 111 CO 0.07 -0.81 1.54 0.24 -0.17 0.00 0.00 175.17 176.05 2x7g h MET 112 N 8.46 0.41 0.01 4.34 2.86 -1.23 -1.41 114.93 128.37 2x7g h MET 112 Ca -0.24 -0.26 -0.00 0.00 -2.06 0.00 0.00 59.70 57.14 2x7g h MET 112 Cb 1.08 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.77 2x7g h MET 112 CO 0.96 0.86 -0.01 0.37 1.06 0.00 0.00 176.91 180.15 2x7g h GLN 113 N 0.32 -0.02 0.00 1.72 4.15 -1.92 -3.34 115.11 116.03 2x7g h GLN 113 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2x7g h GLN 113 Cb 1.07 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.77 2x7g h GLN 113 CO 0.10 0.73 -0.04 0.41 -1.93 0.00 0.00 178.83 178.10 2x7g n GLY 114 N 1.06 -1.60 3.57 2.39 0.00 -1.24 -4.96 105.19 104.42 2x7g n GLY 114 Ca -0.09 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 2x7g n GLY 114 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2x7g n LYS 115 N -1.94 -5.76 -3.64 1.61 5.02 -0.54 -5.02 118.16 107.90 2x7g n LYS 115 Ca 0.06 0.73 -0.10 0.00 -2.02 0.00 0.00 58.31 56.98 2x7g n LYS 115 Cb 0.39 -5.52 -0.03 0.00 -0.02 0.00 0.00 35.03 29.86 2x7g n LYS 115 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2x7g s ARG 116 N -5.69 1.43 0.41 1.97 1.04 -1.21 -5.03 118.95 111.86 2x7g s ARG 116 Ca 0.01 -0.73 -0.23 0.00 -1.04 0.00 0.00 55.73 53.75 2x7g s ARG 116 Cb -0.01 0.57 -0.10 0.00 -2.04 0.00 0.00 34.95 33.37 2x7g s ARG 116 CO 0.77 -0.62 0.98 -0.06 -0.04 0.00 0.00 175.30 176.33 2x7g s PHE 117 N -3.83 3.32 0.18 5.89 0.08 -1.26 -1.54 117.98 120.82 2x7g s PHE 117 Ca 0.06 1.65 0.02 0.00 0.12 0.00 0.00 56.93 58.78 2x7g s PHE 117 Cb -0.02 -2.96 -0.05 0.00 -0.57 0.00 0.00 43.02 39.42 2x7g s PHE 117 CO -0.05 -0.28 0.01 0.14 -0.10 0.00 0.00 175.22 174.94 2x7g s VAL 118 N -1.92 0.68 -0.20 -0.44 -7.23 0.28 -4.46 120.40 107.11 2x7g s VAL 118 Ca 0.60 -1.98 -0.03 0.00 -1.81 0.00 0.00 61.98 58.75 2x7g s VAL 118 Cb -0.15 -2.17 -0.01 0.00 0.56 0.00 0.00 36.38 34.61 2x7g s VAL 118 CO 0.19 -0.43 -0.05 0.00 -0.31 0.00 0.00 175.10 174.50 2x7g s ALA 119 N -3.66 2.82 -0.33 1.32 0.00 0.19 -0.70 121.76 121.40 2x7g s ALA 119 Ca 0.25 -1.07 -0.04 0.00 0.00 0.00 0.00 51.96 51.10 2x7g s ALA 119 Cb 0.06 -1.61 0.05 0.00 0.00 0.00 0.00 23.12 21.61 2x7g s ALA 119 CO 0.05 -0.22 0.07 1.41 0.00 0.00 0.00 175.76 177.06 2x7g s MET 120 N 1.13 2.53 -0.16 0.00 0.00 0.37 -1.04 119.30 122.14 2x7g s MET 120 Ca 0.02 -1.24 -0.27 0.00 0.00 0.00 0.00 55.69 54.20 2x7g s MET 120 Cb -0.15 -3.36 -0.01 0.00 0.00 0.00 0.00 34.83 31.32 2x7g s MET 120 CO -0.01 -0.66 0.93 0.21 0.00 0.00 0.00 175.02 175.49 2x7g s LYS 121 N 1.34 4.33 -0.25 4.11 2.20 -0.04 -1.39 119.74 130.05 2x7g s LYS 121 Ca -0.03 1.21 -0.03 0.00 -0.36 0.00 0.00 55.97 56.77 2x7g s LYS 121 Cb -0.20 -3.58 0.02 0.00 -1.51 0.00 0.00 37.83 32.57 2x7g s LYS 121 CO 0.01 -0.38 -0.04 0.08 -0.36 0.00 0.00 175.35 174.66 2x7g s VAL 122 N 2.31 3.07 0.43 4.02 1.01 0.05 -1.05 120.40 130.24 2x7g s VAL 122 Ca 0.43 -0.93 -0.15 0.00 0.00 0.00 0.00 61.98 61.33 2x7g s VAL 122 Cb -0.17 -2.55 -0.08 0.00 0.00 0.00 0.00 36.38 33.59 2x7g s VAL 122 CO 0.13 0.21 0.86 -0.69 0.00 0.00 0.00 175.10 175.61 2x7g s VAL 123 N 1.36 4.62 0.88 2.92 1.01 -0.53 -1.07 120.40 129.59 2x7g s VAL 123 Ca 0.01 1.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.89 2x7g s VAL 123 Cb -0.16 -3.68 0.12 0.00 0.00 0.00 0.00 36.38 32.65 2x7g s VAL 123 CO -0.03 -0.48 1.11 -0.54 0.00 0.00 0.00 175.10 175.15 2x7g s LYS 124 N -3.65 1.37 0.21 2.72 1.02 -0.73 -4.18 119.74 116.50 2x7g s LYS 124 Ca 0.56 1.22 0.10 0.00 0.02 0.00 0.00 55.97 57.87 2x7g s LYS 124 Cb -0.10 -1.79 0.08 0.00 -0.52 0.00 0.00 37.83 35.50 2x7g s LYS 124 CO 0.26 -2.28 1.44 0.77 -0.92 0.00 0.00 175.35 174.62 2x7g h SER 125 N -1.60 0.00 -3.49 2.83 0.02 -1.90 -3.38 113.55 106.03 2x7g h SER 125 Ca -0.46 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 59.92 2x7g h SER 125 Cb 1.26 0.00 0.14 0.00 0.14 0.00 0.00 62.40 63.94 2x7g h SER 125 CO 0.48 0.76 0.29 0.00 -1.14 0.00 0.00 176.83 177.23 2x7g n ALA 126 N -2.35 0.66 -0.15 3.77 0.00 -1.26 -4.60 120.51 116.58 2x7g n ALA 126 Ca -0.00 0.15 -0.07 0.00 0.00 0.00 0.00 53.44 53.52 2x7g n ALA 126 Cb 0.78 -2.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.04 2x7g n ALA 126 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2x7g h GLN 127 N 1.30 -0.21 -0.72 0.00 4.15 -1.96 -2.32 115.11 115.35 2x7g h GLN 127 Ca -0.48 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.01 2x7g h GLN 127 Cb 1.33 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 29.02 2x7g h GLN 127 CO 0.56 -0.14 0.43 1.25 -1.93 0.00 0.00 178.83 178.99 2x7g h HIS 128 N -0.22 0.79 -0.43 3.99 2.76 -1.97 0.11 115.15 120.18 2x7g h HIS 128 Ca 0.19 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.31 2x7g h HIS 128 Cb 0.54 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.23 2x7g h HIS 128 CO -0.57 0.40 -0.05 1.88 -1.30 0.00 0.00 177.93 178.29 2x7g h TYR 129 N 0.80 0.77 -0.27 5.26 0.05 -1.75 -1.86 116.97 119.96 2x7g h TYR 129 Ca 0.31 -0.12 -0.03 0.00 0.05 0.00 0.00 58.73 58.95 2x7g h TYR 129 Cb 0.13 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 2x7g h TYR 129 CO -0.06 0.75 0.07 1.15 -1.05 0.00 0.00 178.16 179.02 2x7g h THR 130 N 0.67 1.21 -0.79 -2.88 2.02 -0.82 -1.89 112.91 110.43 2x7g h THR 130 Ca 0.13 -0.69 0.13 0.00 0.77 0.00 0.00 66.41 66.75 2x7g h THR 130 Cb 0.49 1.15 -0.09 0.00 -1.74 0.00 0.00 68.15 67.96 2x7g h THR 130 CO 0.03 0.22 0.38 -0.33 0.37 0.00 0.00 175.52 176.19 2x7g h GLU 131 N 0.27 0.55 -0.48 6.66 4.39 -0.59 -0.01 114.58 125.36 2x7g h GLU 131 Ca 0.08 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.68 2x7g h GLU 131 Cb 0.27 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2x7g h GLU 131 CO 0.00 0.36 0.02 1.15 -1.16 0.00 0.00 179.01 179.39 2x7g h THR 132 N 0.56 1.26 -0.07 1.13 2.02 -1.15 -1.70 112.91 114.96 2x7g h THR 132 Ca 0.42 -1.02 0.02 0.00 0.77 0.00 0.00 66.41 66.60 2x7g h THR 132 Cb 0.59 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 2x7g h THR 132 CO -0.36 0.36 -0.03 0.00 0.37 0.00 0.00 175.52 175.86 2x7g h ALA 133 N 0.93 0.03 -0.35 6.16 0.00 -0.58 0.21 119.26 125.66 2x7g h ALA 133 Ca 0.14 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.14 2x7g h ALA 133 Cb 0.47 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 2x7g h ALA 133 CO 0.02 -0.51 0.03 -0.07 0.00 0.00 0.00 179.25 178.72 2x7g h LEU 134 N -0.03 -0.08 -1.06 0.00 3.38 -0.79 0.53 115.31 117.26 2x7g h LEU 134 Ca 0.04 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2x7g h LEU 134 Cb 0.09 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2x7g h LEU 134 CO -0.09 -0.01 0.23 0.44 0.09 0.00 0.00 178.44 179.10 2x7g h ASP 135 N 0.13 0.83 -0.63 -0.43 3.32 -0.95 -1.25 116.42 117.44 2x7g h ASP 135 Ca 0.17 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 2x7g h ASP 135 Cb 0.22 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 2x7g h ASP 135 CO -0.26 0.75 0.10 -0.08 -1.72 0.00 0.00 179.24 178.03 2x7g h GLU 136 N 0.88 1.07 -0.39 3.56 4.81 0.72 -1.54 114.58 123.70 2x7g h GLU 136 Ca 0.21 -0.28 0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2x7g h GLU 136 Cb 0.20 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 2x7g h GLU 136 CO -0.02 0.98 0.20 0.82 -0.73 0.00 0.00 179.01 180.27 2x7g h ILE 137 N 1.00 0.99 -0.50 2.32 1.08 0.11 -0.78 117.51 121.74 2x7g h ILE 137 Ca 0.20 -0.14 -0.04 0.00 -0.39 0.00 0.00 64.86 64.48 2x7g h ILE 137 Cb 0.44 0.55 -0.02 0.00 -3.07 0.00 0.00 36.82 34.72 2x7g h ILE 137 CO 0.01 0.07 0.14 0.11 -0.69 0.00 0.00 178.15 177.80 2x7g h LYS 138 N 0.41 0.78 -0.15 2.37 1.57 -0.98 -0.00 116.57 120.57 2x7g h LYS 138 Ca 0.16 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2x7g h LYS 138 Cb 0.06 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2x7g h LYS 138 CO -0.10 0.74 0.07 -0.07 -0.57 0.00 0.00 179.45 179.51 2x7g h LEU 139 N 0.68 0.09 -1.72 2.94 3.38 -1.19 -1.91 115.31 117.58 2x7g h LEU 139 Ca 0.16 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2x7g h LEU 139 Cb 0.30 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2x7g h LEU 139 CO -0.00 0.08 -0.17 -0.07 0.09 0.00 0.00 178.44 178.36 2x7g h LEU 140 N 0.15 0.00 -0.53 1.67 3.38 -0.77 -1.56 115.31 117.64 2x7g h LEU 140 Ca 0.06 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 2x7g h LEU 140 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2x7g h LEU 140 CO -0.05 0.17 -0.41 0.11 0.09 0.00 0.00 178.44 178.35 2x7g h LYS 141 N 0.00 0.73 -0.57 1.13 1.57 -0.47 -2.43 116.57 116.53 2x7g h LYS 141 Ca -0.00 -0.38 -0.03 0.00 -1.87 0.00 0.00 60.65 58.36 2x7g h LYS 141 Cb 0.35 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 2x7g h LYS 141 CO 0.02 1.00 0.23 0.00 -0.57 0.00 0.00 179.45 180.14 2x7g h VAL 143 N 0.78 0.93 -0.94 0.00 2.07 -1.32 0.31 116.25 118.08 2x7g h VAL 143 Ca 0.19 -0.06 0.08 0.00 0.82 0.00 0.00 66.70 67.73 2x7g h VAL 143 Cb 0.19 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 30.63 2x7g h VAL 143 CO -0.02 0.03 0.59 -0.09 0.02 0.00 0.00 177.57 178.10 2x7g h ARG 144 N 0.17 0.99 0.00 1.57 2.43 -1.34 -3.30 114.38 114.91 2x7g h ARG 144 Ca 0.10 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2x7g h ARG 144 Cb 0.07 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 2x7g h ARG 144 CO -0.11 0.66 -1.04 0.39 -1.51 0.00 0.00 179.97 178.35 2x7g n GLU 145 N -4.60 0.23 -0.02 0.20 1.02 -0.32 -4.40 120.64 112.75 2x7g n GLU 145 Ca 0.15 -0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 57.15 2x7g n GLU 145 Cb 0.24 -1.56 -0.09 0.00 -0.02 0.00 0.00 31.44 30.01 2x7g n GLU 145 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 2x7g h SER 146 N 0.00 0.11 -1.59 1.62 0.02 -1.05 -3.40 113.55 109.26 2x7g h SER 146 Ca 0.00 -0.42 -0.28 0.00 -0.84 0.00 0.00 61.79 60.25 2x7g h SER 146 Cb 0.68 -0.03 -0.26 0.00 0.14 0.00 0.00 62.40 62.93 2x7g h SER 146 CO 0.00 0.51 -0.63 -0.62 -1.14 0.00 0.00 176.83 174.94 2x7g s ASP 147 N -5.74 0.06 0.62 3.07 2.15 -1.26 -4.96 116.67 110.61 2x7g s ASP 147 Ca -0.15 -1.62 0.28 0.00 0.43 0.00 0.00 52.55 51.49 2x7g s ASP 147 Cb 0.03 1.02 1.54 0.00 -0.30 0.00 0.00 42.92 45.22 2x7g s ASP 147 CO 0.69 -0.19 1.86 -0.65 -0.17 0.00 0.00 175.17 176.72 2x7g h PRO 148 N 6.47 0.00 -0.01 4.34 0.11 -1.78 -1.76 132.00 139.37 2x7g h PRO 148 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2x7g h PRO 148 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2x7g h PRO 148 CO 0.16 0.00 -0.19 0.43 -0.21 0.00 0.00 178.00 178.19 2x7g n SER 149 N -2.79 0.94 -4.57 -2.05 7.64 -1.26 -4.85 113.62 106.67 2x7g n SER 149 Ca -0.02 -0.88 -0.42 0.00 1.01 0.00 0.00 58.87 58.56 2x7g n SER 149 Cb 0.36 0.07 -0.06 0.00 -1.01 0.00 0.00 64.21 63.57 2x7g n SER 149 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2x7g s ASP 150 N -2.43 6.48 0.55 6.43 -1.08 -0.66 -4.93 116.67 121.02 2x7g s ASP 150 Ca 0.27 0.19 0.25 0.00 -0.52 0.00 0.00 52.55 52.74 2x7g s ASP 150 Cb 0.20 -2.36 1.58 0.00 -1.46 0.00 0.00 42.92 40.88 2x7g s ASP 150 CO 0.49 -0.70 2.18 1.55 0.52 0.00 0.00 175.17 179.21 2x7g h PRO 151 N 8.55 0.00 0.00 4.34 0.13 -1.89 -1.26 132.00 141.87 2x7g h PRO 151 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2x7g h PRO 151 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2x7g h PRO 151 CO 0.89 0.04 0.15 -0.91 -0.23 0.00 0.00 178.00 177.94 2x7g h ASN 152 N 0.00 0.00 0.19 1.44 2.35 -1.92 -0.74 115.58 116.91 2x7g h ASN 152 Ca -0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 2x7g h ASN 152 Cb 0.08 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 2x7g h ASN 152 CO 0.00 0.00 -0.16 0.07 -1.65 0.00 0.00 177.43 175.70 2x7g h LYS 153 N 0.00 0.00 0.00 0.81 2.10 -1.54 -2.44 116.57 115.49 2x7g h LYS 153 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2x7g h LYS 153 Cb 0.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 2x7g h LYS 153 CO 0.00 0.16 0.00 -0.44 -2.00 0.00 0.00 179.45 177.17 2x7g h ASP 154 N 0.00 0.00 -0.12 7.07 3.32 -1.33 -1.85 116.42 123.50 2x7g h ASP 154 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2x7g h ASP 154 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2x7g h ASP 154 CO 0.02 0.00 0.00 0.23 -1.72 0.00 0.00 179.24 177.77 2x7g n MET 155 N -2.35 1.66 -5.21 3.56 2.81 -0.92 -4.77 117.12 111.89 2x7g n MET 155 Ca -0.01 -0.98 -0.32 0.00 -1.81 0.00 0.00 57.70 54.59 2x7g n MET 155 Cb 0.10 -1.41 -0.16 0.00 -0.71 0.00 0.00 33.22 31.04 2x7g n MET 155 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2x7g s VAL 156 N -1.85 2.17 0.20 2.03 1.01 -0.70 -0.62 120.40 122.65 2x7g s VAL 156 Ca 0.33 -1.02 -0.33 0.00 0.00 0.00 0.00 61.98 60.97 2x7g s VAL 156 Cb 0.18 -1.80 -0.13 0.00 0.00 0.00 0.00 36.38 34.63 2x7g s VAL 156 CO 0.27 0.57 1.61 0.52 0.00 0.00 0.00 175.10 178.07 2x7g n VAL 157 N 3.03 0.18 -4.16 2.92 0.31 -0.12 -4.87 118.33 115.62 2x7g n VAL 157 Ca -0.18 -0.05 -0.34 0.00 -0.01 0.00 0.00 64.34 63.76 2x7g n VAL 157 Cb 0.52 -1.71 -0.10 0.00 -0.91 0.00 0.00 33.84 31.64 2x7g n VAL 157 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2x7g s GLN 158 N 0.74 3.72 -0.15 5.55 -1.52 -1.26 -5.00 119.66 121.74 2x7g s GLN 158 Ca 0.75 -0.39 -0.29 0.00 -1.95 0.00 0.00 55.36 53.48 2x7g s GLN 158 Cb -0.60 -3.07 -0.05 0.00 -0.22 0.00 0.00 33.01 29.07 2x7g s GLN 158 CO 0.38 0.36 1.84 -1.17 -0.25 0.00 0.00 175.29 176.45 2x7g s LEU 159 N 0.10 3.95 0.04 2.90 2.96 -1.26 -4.47 118.68 122.89 2x7g s LEU 159 Ca 0.03 1.97 -0.01 0.00 -0.22 0.00 0.00 54.13 55.90 2x7g s LEU 159 Cb -0.13 -3.53 -0.27 0.00 0.50 0.00 0.00 46.19 42.77 2x7g s LEU 159 CO 0.01 -1.35 0.99 0.40 -1.32 0.00 0.00 176.35 175.08 2x7g h ILE 160 N 6.22 1.32 -1.53 6.68 2.04 -1.23 -3.49 117.51 127.53 2x7g h ILE 160 Ca -0.39 -2.97 0.13 0.00 1.00 0.00 0.00 64.86 62.63 2x7g h ILE 160 Cb 1.19 2.80 -0.23 0.00 -0.74 0.00 0.00 36.82 39.85 2x7g h ILE 160 CO 0.98 0.84 0.65 -0.62 0.00 0.00 0.00 178.15 180.00 2x7g s ASP 161 N -6.92 -0.28 0.01 1.72 2.15 -1.17 -5.01 116.67 107.17 2x7g s ASP 161 Ca -0.06 0.25 -0.04 0.00 0.43 0.00 0.00 52.55 53.13 2x7g s ASP 161 Cb 0.07 0.24 -0.01 0.00 -0.30 0.00 0.00 42.92 42.93 2x7g s ASP 161 CO 0.85 -0.30 0.06 1.51 -0.17 0.00 0.00 175.17 177.12 2x7g s ASP 162 N -1.34 0.14 0.33 -0.34 1.47 -1.26 -0.18 116.67 115.49 2x7g s ASP 162 Ca 0.02 -0.37 -0.18 0.00 1.18 0.00 0.00 52.55 53.20 2x7g s ASP 162 Cb -0.01 0.16 0.05 0.00 -0.34 0.00 0.00 42.92 42.78 2x7g s ASP 162 CO -0.02 -0.35 0.82 0.72 0.68 0.00 0.00 175.17 177.02 2x7g s PHE 163 N -1.51 0.06 -0.00 2.11 -0.12 -0.08 -5.02 117.98 113.42 2x7g s PHE 163 Ca -0.15 -0.65 0.01 0.00 -0.05 0.00 0.00 56.93 56.10 2x7g s PHE 163 Cb -0.08 0.80 -0.00 0.00 -0.63 0.00 0.00 43.02 43.10 2x7g s PHE 163 CO -0.00 -1.41 -0.04 0.15 -0.05 0.00 0.00 175.22 173.87 2x7g s LYS 164 N -2.57 0.36 0.19 1.99 1.02 -1.26 -0.84 119.74 118.62 2x7g s LYS 164 Ca 0.15 -0.18 0.05 0.00 0.02 0.00 0.00 55.97 56.02 2x7g s LYS 164 Cb -0.05 -0.34 -0.05 0.00 -0.52 0.00 0.00 37.83 36.88 2x7g s LYS 164 CO 0.10 0.09 -0.08 0.96 -0.92 0.00 0.00 175.35 175.49 2x7g s ILE 165 N -0.15 1.31 -0.30 2.17 -4.36 -0.92 -4.99 121.20 113.95 2x7g s ILE 165 Ca 0.01 -2.10 -0.06 0.00 -0.26 0.00 0.00 60.65 58.25 2x7g s ILE 165 Cb -0.02 -2.06 0.02 0.00 1.25 0.00 0.00 42.46 41.66 2x7g s ILE 165 CO -0.00 -0.58 0.06 -0.44 0.24 0.00 0.00 174.94 174.22 2x7g s SER 166 N -3.26 5.04 0.60 4.36 0.01 -1.26 -0.72 113.70 118.47 2x7g s SER 166 Ca 0.22 -0.89 -0.00 0.00 1.31 0.00 0.00 55.95 56.58 2x7g s SER 166 Cb 0.03 -1.83 0.01 0.00 0.21 0.00 0.00 66.02 64.43 2x7g s SER 166 CO 0.05 -0.22 0.05 0.61 0.41 0.00 0.00 173.24 174.13 2x7g n GLY 167 N 4.80 0.11 0.22 3.44 0.00 -0.01 -4.99 105.19 108.77 2x7g n GLY 167 Ca -0.14 -1.86 0.12 0.00 0.00 0.00 0.00 46.02 44.14 2x7g n GLY 167 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2x7g h MET 168 N 0.00 0.00 -0.21 1.61 2.86 -1.99 -3.17 114.93 114.03 2x7g h MET 168 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2x7g h MET 168 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2x7g h MET 168 CO 0.01 0.09 0.00 0.09 1.06 0.00 0.00 176.91 178.16 2x7g n ASN 169 N -3.14 1.29 0.00 1.22 5.03 -1.26 -5.04 115.26 113.35 2x7g n ASN 169 Ca 0.03 -1.90 0.00 0.00 0.87 0.00 0.00 54.58 53.58 2x7g n ASN 169 Cb 0.49 -0.14 0.00 0.00 -1.02 0.00 0.00 39.78 39.11 2x7g n ASN 169 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2x7g n GLY 170 N 0.93 0.68 3.79 7.41 0.00 -1.20 -4.80 105.19 112.00 2x7g n GLY 170 Ca 0.10 -1.72 -0.37 0.00 0.00 0.00 0.00 46.02 44.03 2x7g n GLY 170 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x7g s ILE 171 N 0.00 5.17 -0.15 -0.61 1.01 -1.26 -0.83 121.20 124.53 2x7g s ILE 171 Ca 0.00 0.73 -0.00 0.00 0.00 0.00 0.00 60.65 61.38 2x7g s ILE 171 Cb 0.00 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 2x7g s ILE 171 CO 0.00 0.48 -0.13 -1.00 0.00 0.00 0.00 174.94 174.29 2x7g s HIS 172 N -0.31 2.82 -0.19 3.97 3.76 0.10 -4.30 115.29 121.13 2x7g s HIS 172 Ca 0.22 -0.85 -0.26 0.00 -0.15 0.00 0.00 55.06 54.01 2x7g s HIS 172 Cb -0.15 -1.90 -0.01 0.00 1.11 0.00 0.00 32.58 31.64 2x7g s HIS 172 CO 0.09 -0.36 0.89 0.08 -0.85 0.00 0.00 174.74 174.59 2x7g s VAL 173 N 0.69 4.82 -0.13 -0.90 1.01 -1.26 -2.17 120.40 122.46 2x7g s VAL 173 Ca -0.06 1.73 -0.02 0.00 0.00 0.00 0.00 61.98 63.63 2x7g s VAL 173 Cb -0.15 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 2x7g s VAL 173 CO 0.02 -0.04 -0.06 0.00 0.00 0.00 0.00 175.10 175.01 2x7g s MET 175 N 0.02 1.55 -0.11 0.00 -1.94 -0.22 -0.90 119.30 117.71 2x7g s MET 175 Ca -0.01 -0.87 0.04 0.00 -1.71 0.00 0.00 55.69 53.14 2x7g s MET 175 Cb -0.14 -1.60 0.00 0.00 2.01 0.00 0.00 34.83 35.11 2x7g s MET 175 CO 0.03 0.42 -0.23 0.08 -0.01 0.00 0.00 175.02 175.31 2x7g s VAL 176 N -0.67 2.03 0.28 -6.03 1.01 0.75 -0.86 120.40 116.91 2x7g s VAL 176 Ca 0.08 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.10 2x7g s VAL 176 Cb -0.09 -1.76 -0.06 0.00 0.00 0.00 0.00 36.38 34.48 2x7g s VAL 176 CO 0.01 0.55 0.03 -0.36 0.00 0.00 0.00 175.10 175.32 2x7g s PHE 177 N 0.42 1.76 0.69 5.22 0.08 -0.20 -0.60 117.98 125.35 2x7g s PHE 177 Ca -0.17 -0.94 -0.14 0.00 0.12 0.00 0.00 56.93 55.79 2x7g s PHE 177 Cb -0.18 -1.07 0.02 0.00 -0.57 0.00 0.00 43.02 41.22 2x7g s PHE 177 CO 0.07 -0.02 1.12 -1.83 -0.10 0.00 0.00 175.22 174.46 2x7g s GLU 178 N -3.88 2.59 -0.05 0.44 -1.05 -1.26 -0.64 118.70 114.85 2x7g s GLU 178 Ca 0.33 1.42 -0.25 0.00 -0.15 0.00 0.00 54.97 56.31 2x7g s GLU 178 Cb 0.07 -1.92 -0.03 0.00 -0.44 0.00 0.00 34.13 31.80 2x7g s GLU 178 CO 0.12 -1.42 0.78 0.08 0.95 0.00 0.00 175.26 175.78 2x7g s VAL 179 N -2.37 4.99 0.42 1.83 1.01 -1.26 -4.43 120.40 120.60 2x7g s VAL 179 Ca 0.67 1.62 0.07 0.00 0.00 0.00 0.00 61.98 64.34 2x7g s VAL 179 Cb -0.21 -4.12 -0.07 0.00 0.00 0.00 0.00 36.38 31.98 2x7g s VAL 179 CO 0.44 0.22 0.05 -0.76 0.00 0.00 0.00 175.10 175.05 2x7g s LEU 180 N 0.89 2.88 0.00 3.92 1.43 -1.26 -4.63 118.68 121.90 2x7g s LEU 180 Ca 0.42 -1.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.18 2x7g s LEU 180 Cb -0.19 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 45.04 2x7g s LEU 180 CO 0.21 -0.51 0.00 0.61 0.23 0.00 0.00 176.35 176.89 2x7g n GLY 181 N -1.05 1.25 3.87 -3.19 0.00 0.15 -4.90 105.19 101.32 2x7g n GLY 181 Ca -0.05 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.02 2x7g n GLY 181 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2x7g s HIS 182 N 1.09 3.58 0.81 1.61 3.76 -1.26 -4.48 115.29 120.40 2x7g s HIS 182 Ca 0.00 1.25 -0.12 0.00 -0.15 0.00 0.00 55.06 56.04 2x7g s HIS 182 Cb 0.00 -2.67 0.08 0.00 1.11 0.00 0.00 32.58 31.10 2x7g s HIS 182 CO 0.00 -0.56 1.17 -3.38 -0.85 0.00 0.00 174.74 171.12 2x7g s HIS 183 N -3.00 2.95 -0.16 1.40 -3.43 -1.26 -1.28 115.29 110.51 2x7g s HIS 183 Ca 0.55 0.78 0.19 0.00 -0.80 0.00 0.00 55.06 55.77 2x7g s HIS 183 Cb -0.11 -3.46 0.31 0.00 -1.43 0.00 0.00 32.58 27.90 2x7g s HIS 183 CO 0.48 -1.78 1.56 -0.07 -2.00 0.00 0.00 174.74 172.94 2x7g h LEU 184 N -1.06 0.00 -0.82 5.38 3.38 -1.00 -2.78 115.31 118.40 2x7g h LEU 184 Ca -0.46 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.53 2x7g h LEU 184 Cb 1.32 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.03 2x7g h LEU 184 CO 0.65 0.33 0.53 0.25 0.09 0.00 0.00 178.44 180.30 2x7g h LEU 185 N 0.00 0.90 -0.92 1.67 5.85 -1.87 -0.48 115.31 120.47 2x7g h LEU 185 Ca -0.00 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.82 2x7g h LEU 185 Cb 1.16 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.90 2x7g h LEU 185 CO 0.04 0.64 0.55 0.50 -0.34 0.00 0.00 178.44 179.83 2x7g h LYS 186 N 1.06 0.85 0.00 1.25 1.63 -1.84 0.38 116.57 119.90 2x7g h LYS 186 Ca 0.32 -0.05 -0.13 0.00 -0.85 0.00 0.00 60.65 59.93 2x7g h LYS 186 Cb -0.05 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 31.37 2x7g h LYS 186 CO -0.09 0.56 -0.63 -1.49 -3.45 0.00 0.00 179.45 174.35 2x7g h TRP 187 N 0.88 0.00 -0.31 1.91 4.06 -1.43 -1.75 115.95 119.31 2x7g h TRP 187 Ca 0.45 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 61.29 2x7g h TRP 187 Cb 0.45 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.60 2x7g h TRP 187 CO -0.03 0.63 -0.28 0.82 -3.56 0.00 0.00 178.44 176.01 2x7g h ILE 188 N 0.00 1.28 -0.43 1.49 2.04 0.10 -1.64 117.51 120.36 2x7g h ILE 188 Ca -0.01 -1.39 -0.04 0.00 1.00 0.00 0.00 64.86 64.43 2x7g h ILE 188 Cb 1.22 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 2x7g h ILE 188 CO 0.08 0.45 0.10 0.40 0.00 0.00 0.00 178.15 179.18 2x7g h ILE 189 N 0.54 1.23 0.00 -0.67 2.04 -0.77 -1.40 117.51 118.49 2x7g h ILE 189 Ca 0.07 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 65.07 2x7g h ILE 189 Cb 0.77 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 2x7g h ILE 189 CO 0.06 0.29 -0.19 0.50 0.00 0.00 0.00 178.15 178.81 2x7g h LYS 190 N 0.55 0.00 0.00 2.37 1.63 -1.14 -0.45 116.57 119.54 2x7g h LYS 190 Ca 0.13 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 2x7g h LYS 190 Cb 0.33 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 2x7g h LYS 190 CO 0.00 0.19 0.00 -1.13 -3.45 0.00 0.00 179.45 175.06 2x7g n SER 191 N -3.59 0.00 -2.26 4.20 3.41 -0.63 -4.88 113.62 109.86 2x7g n SER 191 Ca -0.01 -1.40 -0.18 0.00 -0.26 0.00 0.00 58.87 57.02 2x7g n SER 191 Cb 0.33 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.29 2x7g n SER 191 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2x7g n ASN 192 N -0.77 -5.20 -2.48 4.04 3.02 -0.18 -2.67 115.26 111.03 2x7g n ASN 192 Ca 0.12 -0.14 -0.18 0.00 -0.03 0.00 0.00 54.58 54.35 2x7g n ASN 192 Cb 0.06 -4.16 -0.01 0.00 -0.61 0.00 0.00 39.78 35.06 2x7g n ASN 192 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2x7g n TYR 193 N -4.17 -1.22 0.99 3.10 4.01 -0.54 -4.85 117.16 114.48 2x7g n TYR 193 Ca -0.14 0.04 0.10 0.00 -0.16 0.00 0.00 57.90 57.74 2x7g n TYR 193 Cb 0.62 -3.57 -0.11 0.00 -0.31 0.00 0.00 39.34 35.97 2x7g n TYR 193 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2x7g n GLN 194 N -3.02 0.01 0.00 -0.72 1.13 -1.09 -4.09 117.38 109.60 2x7g n GLN 194 Ca -0.20 -0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.86 2x7g n GLN 194 Cb 0.65 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.50 2x7g n GLN 194 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2x7g n GLY 195 N 1.50 -2.28 3.68 1.08 0.00 -1.26 -4.01 105.19 103.89 2x7g n GLY 195 Ca 0.04 -1.67 -0.24 0.00 0.00 0.00 0.00 46.02 44.15 2x7g n GLY 195 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x7g s LEU 196 N 0.00 3.33 0.47 0.99 1.02 0.42 -4.86 118.68 120.05 2x7g s LEU 196 Ca 0.00 -0.52 -0.24 0.00 0.02 0.00 0.00 54.13 53.40 2x7g s LEU 196 Cb 0.00 -1.89 -0.08 0.00 0.02 0.00 0.00 46.19 44.24 2x7g s LEU 196 CO 0.00 0.02 1.22 -2.65 0.02 0.00 0.00 176.35 174.96 2x7g n PRO 197 N -0.76 1.70 -0.27 1.29 -0.02 -1.26 -4.65 135.00 131.04 2x7g n PRO 197 Ca -0.07 0.61 -0.01 0.00 -2.02 0.00 0.00 63.50 62.01 2x7g n PRO 197 Cb 0.58 -2.36 0.11 0.00 -0.02 0.00 0.00 33.50 31.81 2x7g n PRO 197 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2x7g h VAL 198 N 1.71 1.01 -0.77 -1.45 2.07 -1.95 -0.40 116.25 116.47 2x7g h VAL 198 Ca -0.48 -0.28 0.10 0.00 0.82 0.00 0.00 66.70 66.86 2x7g h VAL 198 Cb 1.31 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 2x7g h VAL 198 CO 0.58 0.15 0.51 0.03 0.02 0.00 0.00 177.57 178.86 2x7g h ARG 199 N 0.82 0.66 -0.14 1.57 3.08 -1.93 0.08 114.38 118.52 2x7g h ARG 199 Ca 0.33 -0.04 -0.21 0.00 0.07 0.00 0.00 59.98 60.13 2x7g h ARG 199 Cb 0.16 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2x7g h ARG 199 CO -0.17 0.44 -0.74 0.00 -1.07 0.00 0.00 179.97 178.43 2x7g h VAL 201 N 0.47 1.26 -0.30 0.00 2.07 -0.43 -0.95 116.25 118.36 2x7g h VAL 201 Ca -0.04 -1.02 0.03 0.00 0.82 0.00 0.00 66.70 66.49 2x7g h VAL 201 Cb 1.34 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 2x7g h VAL 201 CO 0.14 0.38 0.13 0.11 0.02 0.00 0.00 177.57 178.36 2x7g h LYS 202 N 1.02 0.27 -0.43 1.57 1.57 -0.89 0.12 116.57 119.79 2x7g h LYS 202 Ca 0.20 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 2x7g h LYS 202 Cb 0.42 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 2x7g h LYS 202 CO 0.01 0.18 0.23 1.03 -0.57 0.00 0.00 179.45 180.33 2x7g h SER 203 N 0.28 0.55 0.26 0.86 0.87 -1.18 -0.15 113.55 115.04 2x7g h SER 203 Ca 0.13 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2x7g h SER 203 Cb 0.07 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2x7g h SER 203 CO -0.11 0.49 -0.12 0.40 -0.53 0.00 0.00 176.83 176.95 2x7g h ILE 204 N 0.56 0.77 -0.72 2.23 2.04 -0.81 -2.60 117.51 118.98 2x7g h ILE 204 Ca 0.15 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 2x7g h ILE 204 Cb 0.07 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 2x7g h ILE 204 CO -0.02 0.03 0.28 0.40 0.00 0.00 0.00 178.15 178.84 2x7g h ILE 205 N -0.42 1.25 -0.04 -0.67 1.08 -0.75 0.08 117.51 118.03 2x7g h ILE 205 Ca -0.04 -0.78 0.02 0.00 -0.39 0.00 0.00 64.86 63.68 2x7g h ILE 205 Cb 0.32 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 34.43 2x7g h ILE 205 CO 0.06 0.31 -0.11 -0.09 -0.69 0.00 0.00 178.15 177.63 2x7g h ARG 206 N 1.05 -0.17 -0.69 2.37 2.43 -0.98 0.14 114.38 118.53 2x7g h ARG 206 Ca 0.24 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.44 2x7g h ARG 206 Cb 0.20 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 2x7g h ARG 206 CO -0.02 -0.11 0.45 1.96 -1.51 0.00 0.00 179.97 180.74 2x7g h GLN 207 N -0.17 0.89 -0.68 0.20 4.20 -1.04 0.73 115.11 119.24 2x7g h GLN 207 Ca 0.06 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2x7g h GLN 207 Cb 0.25 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 2x7g h GLN 207 CO -0.14 0.59 0.41 0.28 -0.67 0.00 0.00 178.83 179.30 2x7g h VAL 208 N 0.92 1.20 -0.47 -0.54 2.07 -0.51 -1.15 116.25 117.77 2x7g h VAL 208 Ca 0.26 -0.44 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 2x7g h VAL 208 Cb -0.08 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 2x7g h VAL 208 CO -0.07 0.20 -0.02 -0.07 0.02 0.00 0.00 177.57 177.63 2x7g h LEU 209 N 0.93 0.77 -0.63 2.57 3.38 -0.06 0.03 115.31 122.30 2x7g h LEU 209 Ca 0.24 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2x7g h LEU 209 Cb -0.03 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 2x7g h LEU 209 CO -0.05 0.85 0.41 1.56 0.09 0.00 0.00 178.44 181.31 2x7g h GLN 210 N 0.74 0.81 -0.49 1.13 4.20 -0.36 0.84 115.11 121.98 2x7g h GLN 210 Ca 0.14 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.81 2x7g h GLN 210 Cb 0.48 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 2x7g h GLN 210 CO 0.02 0.54 0.32 0.78 -0.67 0.00 0.00 178.83 179.82 2x7g h GLY 211 N 0.84 0.69 1.81 3.46 0.00 -0.68 -2.63 103.07 106.55 2x7g h GLY 211 Ca 0.23 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 2x7g h GLY 211 CO -0.06 0.25 -0.14 1.41 0.00 0.00 0.00 176.54 178.00 2x7g h LEU 212 N 0.66 0.23 -0.63 3.11 3.38 -0.67 -1.81 115.31 119.57 2x7g h LEU 212 Ca 0.18 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 2x7g h LEU 212 Cb -0.07 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2x7g h LEU 212 CO -0.04 0.40 -0.29 -0.78 0.09 0.00 0.00 178.44 177.81 2x7g h ASP 213 N 0.23 0.79 0.21 -0.43 3.58 -0.49 0.19 116.42 120.50 2x7g h ASP 213 Ca 0.05 -0.31 -0.01 0.00 0.42 0.00 0.00 57.03 57.17 2x7g h ASP 213 Cb 0.40 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.23 2x7g h ASP 213 CO 0.02 1.03 -0.10 0.22 -2.88 0.00 0.00 179.24 177.53 2x7g h TYR 214 N 0.65 -0.26 -0.00 0.28 3.20 -1.23 -0.01 116.97 119.59 2x7g h TYR 214 Ca 0.08 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.97 2x7g h TYR 214 Cb 0.82 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 39.13 2x7g h TYR 214 CO 0.04 0.04 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.29 2x7g h LEU 215 N -0.56 -0.70 -0.23 2.82 3.38 -1.20 -0.35 115.31 118.48 2x7g h LEU 215 Ca -0.03 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2x7g h LEU 215 Cb 0.41 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2x7g h LEU 215 CO 0.05 -0.30 -0.01 0.45 0.09 0.00 0.00 178.44 178.72 2x7g h HIS 216 N -0.37 0.45 0.18 1.13 3.86 -0.98 0.16 115.15 119.58 2x7g h HIS 216 Ca 0.06 -0.08 -0.34 0.00 -1.16 0.00 0.00 60.37 58.85 2x7g h HIS 216 Cb 0.45 -0.12 0.01 0.00 1.06 0.00 0.00 27.41 28.81 2x7g h HIS 216 CO -0.28 0.60 -1.70 0.77 0.86 0.00 0.00 177.93 178.18 2x7g h SER 217 N 0.18 0.60 0.00 2.45 0.02 -0.97 -3.20 113.55 112.63 2x7g h SER 217 Ca 0.07 -0.86 -0.39 0.00 -0.84 0.00 0.00 61.79 59.76 2x7g h SER 217 Cb 0.42 -0.19 -0.07 0.00 0.14 0.00 0.00 62.40 62.70 2x7g h SER 217 CO 0.01 1.72 -2.44 0.29 -1.14 0.00 0.00 176.83 175.27 2x7g n LYS 218 N -3.57 0.62 0.08 3.45 4.76 -0.19 -4.49 118.16 118.82 2x7g n LYS 218 Ca -0.23 0.16 0.12 0.00 -2.87 0.00 0.00 58.31 55.50 2x7g n LYS 218 Cb 1.07 -1.49 0.13 0.00 -1.84 0.00 0.00 35.03 32.90 2x7g n LYS 218 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2x7g n LYS 220 N -2.33 -4.58 -5.10 0.00 4.76 0.37 -4.91 118.16 106.36 2x7g n LYS 220 Ca 0.02 0.55 -0.31 0.00 -2.87 0.00 0.00 58.31 55.71 2x7g n LYS 220 Cb 0.48 -5.09 -0.15 0.00 -1.84 0.00 0.00 35.03 28.42 2x7g n LYS 220 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2x7g s ILE 221 N -3.64 2.24 -0.17 -0.18 1.01 -0.07 -0.93 121.20 119.46 2x7g s ILE 221 Ca 0.19 -1.16 -0.01 0.00 0.00 0.00 0.00 60.65 59.67 2x7g s ILE 221 Cb -0.10 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 2x7g s ILE 221 CO 0.84 0.50 -0.10 -0.63 0.00 0.00 0.00 174.94 175.55 2x7g s ILE 222 N -0.70 3.11 0.03 2.92 1.01 0.46 -3.47 121.20 124.55 2x7g s ILE 222 Ca 0.11 -0.62 -0.23 0.00 0.00 0.00 0.00 60.65 59.92 2x7g s ILE 222 Cb -0.10 -2.35 -0.16 0.00 0.01 0.00 0.00 42.46 39.87 2x7g s ILE 222 CO 0.00 0.49 1.39 -0.74 0.00 0.00 0.00 174.94 176.09 2x7g h HIS 223 N 7.28 0.20 0.00 3.97 -0.00 -1.92 -1.00 115.15 123.69 2x7g h HIS 223 Ca -0.33 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 59.99 2x7g h HIS 223 Cb 1.19 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.55 2x7g h HIS 223 CO 0.53 0.52 0.00 0.25 -0.00 0.00 0.00 177.93 179.23 2x7g n THR 224 N -4.76 0.00 -2.68 6.26 -2.24 -1.26 -3.43 114.28 106.17 2x7g n THR 224 Ca -0.07 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.63 2x7g n THR 224 Cb 0.25 -0.08 0.08 0.00 -2.10 0.00 0.00 70.33 68.48 2x7g n THR 224 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2x7g n ASP 225 N 0.00 -0.40 -4.68 3.42 2.03 -1.26 -2.55 116.55 113.11 2x7g n ASP 225 Ca 0.00 -2.57 -0.42 0.00 0.52 0.00 0.00 54.79 52.31 2x7g n ASP 225 Cb 0.00 0.32 -0.03 0.00 -0.72 0.00 0.00 41.12 40.69 2x7g n ASP 225 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2x7g s ILE 226 N -1.30 4.32 -0.02 5.18 -1.09 -1.26 -4.80 121.20 122.23 2x7g s ILE 226 Ca 0.24 1.63 -0.29 0.00 -2.23 0.00 0.00 60.65 60.00 2x7g s ILE 226 Cb 0.43 -4.05 0.11 0.00 -1.58 0.00 0.00 42.46 37.36 2x7g s ILE 226 CO -0.03 -0.04 0.92 -1.59 -1.23 0.00 0.00 174.94 172.98 2x7g s LYS 227 N 2.49 0.77 0.45 2.79 -2.85 -1.26 -4.73 119.74 117.40 2x7g s LYS 227 Ca 0.55 -0.29 0.16 0.00 -1.00 0.00 0.00 55.97 55.39 2x7g s LYS 227 Cb -0.23 0.35 1.09 0.00 -2.06 0.00 0.00 37.83 36.98 2x7g s LYS 227 CO 0.19 -0.34 1.96 -1.35 0.10 0.00 0.00 175.35 175.91 2x7g h PRO 228 N 2.00 0.34 -0.01 1.78 0.11 -1.93 0.52 132.00 134.81 2x7g h PRO 228 Ca -0.21 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2x7g h PRO 228 Cb 1.23 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2x7g h PRO 228 CO 0.30 0.23 0.01 1.49 -0.21 0.00 0.00 178.00 179.82 2x7g h GLU 229 N 0.35 0.00 -0.61 1.05 4.81 -1.94 -2.48 114.58 115.76 2x7g h GLU 229 Ca 0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 2x7g h GLU 229 Cb 0.73 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.11 2x7g h GLU 229 CO -0.08 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.29 2x7g n ASN 230 N -4.15 5.43 -4.07 1.04 3.02 0.17 -4.72 115.26 111.98 2x7g n ASN 230 Ca -0.03 -2.78 -0.32 0.00 -0.03 0.00 0.00 54.58 51.43 2x7g n ASN 230 Cb 0.10 -0.66 -0.16 0.00 -0.61 0.00 0.00 39.78 38.46 2x7g n ASN 230 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2x7g s ILE 231 N -2.48 1.86 -0.03 2.41 -1.09 -1.01 -1.46 121.20 119.41 2x7g s ILE 231 Ca 0.53 -0.89 -0.02 0.00 -2.23 0.00 0.00 60.65 58.04 2x7g s ILE 231 Cb 0.39 -1.75 -0.04 0.00 -1.58 0.00 0.00 42.46 39.48 2x7g s ILE 231 CO 0.18 0.44 0.10 -0.76 -1.23 0.00 0.00 174.94 173.68 2x7g s LEU 232 N 1.35 4.02 0.32 2.97 1.43 -0.32 -2.17 118.68 126.29 2x7g s LEU 232 Ca 0.03 0.23 -0.27 0.00 -1.03 0.00 0.00 54.13 53.09 2x7g s LEU 232 Cb -0.14 -2.27 -0.09 0.00 0.03 0.00 0.00 46.19 43.72 2x7g s LEU 232 CO -0.11 0.30 1.03 -0.04 0.23 0.00 0.00 176.35 177.76 2x7g s MET 233 N -1.61 4.51 0.47 1.70 -1.94 -0.41 -1.16 119.30 120.88 2x7g s MET 233 Ca 0.22 1.58 -0.10 0.00 -1.71 0.00 0.00 55.69 55.68 2x7g s MET 233 Cb -0.12 -2.93 -0.06 0.00 2.01 0.00 0.00 34.83 33.74 2x7g s MET 233 CO 0.12 0.16 0.84 0.00 -0.01 0.00 0.00 175.02 176.14 2x7g s VAL 235 N -2.63 0.60 0.57 0.00 -7.23 -1.26 -4.63 120.40 105.82 2x7g s VAL 235 Ca 0.52 -1.47 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 2x7g s VAL 235 Cb -0.10 -1.10 0.04 0.00 0.56 0.00 0.00 36.38 35.78 2x7g s VAL 235 CO 0.38 -0.61 0.81 1.51 -0.31 0.00 0.00 175.10 176.88 2x7g s ASP 236 N -2.25 5.21 0.27 4.85 -4.77 -1.26 -4.96 116.67 113.76 2x7g s ASP 236 Ca -0.00 0.05 0.01 0.00 -3.30 0.00 0.00 52.55 49.31 2x7g s ASP 236 Cb -0.03 -0.90 0.58 0.00 -1.09 0.00 0.00 42.92 41.47 2x7g s ASP 236 CO -0.02 -1.21 1.77 0.44 0.70 0.00 0.00 175.17 176.85 2x7g h ASP 237 N -0.02 0.62 -0.49 2.11 5.19 -2.00 -2.61 116.42 119.21 2x7g h ASP 237 Ca -0.42 0.09 0.03 0.00 -0.62 0.00 0.00 57.03 56.11 2x7g h ASP 237 Cb 1.30 -0.02 -0.04 0.00 0.18 0.00 0.00 39.33 40.76 2x7g h ASP 237 CO 0.53 0.26 0.27 0.00 -3.12 0.00 0.00 179.24 177.18 2x7g h ALA 238 N 1.57 0.63 -0.77 3.45 0.00 -2.00 -2.64 119.26 119.50 2x7g h ALA 238 Ca 0.49 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 2x7g h ALA 238 Cb 0.69 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2x7g h ALA 238 CO -0.36 -0.06 0.38 -0.92 0.00 0.00 0.00 179.25 178.30 2x7g h TYR 239 N 0.53 1.09 -0.01 0.00 3.20 -1.78 -2.87 116.97 117.13 2x7g h TYR 239 Ca 0.21 -0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.91 2x7g h TYR 239 Cb 0.08 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 2x7g h TYR 239 CO -0.08 0.78 -0.59 0.28 -1.64 0.00 0.00 178.16 176.90 2x7g h VAL 240 N 1.09 1.42 0.26 1.81 2.07 -1.35 -2.25 116.25 119.30 2x7g h VAL 240 Ca 0.27 -2.02 -0.01 0.00 0.82 0.00 0.00 66.70 65.76 2x7g h VAL 240 Cb 0.09 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2x7g h VAL 240 CO -0.04 0.58 -0.12 0.03 0.02 0.00 0.00 177.57 178.04 2x7g h ARG 241 N 0.02 -0.33 0.00 1.57 3.08 -1.40 -1.91 114.38 115.40 2x7g h ARG 241 Ca -0.01 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2x7g h ARG 241 Cb 1.05 0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.18 2x7g h ARG 241 CO 0.08 0.02 0.00 0.54 -1.07 0.00 0.00 179.97 179.54 2x7g n ARG 242 N -5.06 0.10 -0.06 0.04 1.74 -1.09 -0.31 116.66 112.02 2x7g n ARG 242 Ca -0.09 0.07 -0.16 0.00 -0.77 0.00 0.00 57.85 56.90 2x7g n ARG 242 Cb 0.26 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.06 2x7g n ARG 242 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 2x7g n MET 243 N -1.08 0.69 0.20 5.56 0.00 -0.85 -4.14 117.12 117.51 2x7g n MET 243 Ca 0.03 0.19 0.05 0.00 0.00 0.00 0.00 57.70 57.96 2x7g n MET 243 Cb 0.02 -1.63 0.50 0.00 0.00 0.00 0.00 33.22 32.10 2x7g n MET 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2x7g h ALA 244 N 0.36 1.70 0.20 -5.12 0.00 0.16 -2.89 119.26 113.67 2x7g h ALA 244 Ca -0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 2x7g h ALA 244 Cb 2.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.77 2x7g h ALA 244 CO 0.02 0.22 -0.10 0.00 0.00 0.00 0.00 179.25 179.40 2x7g h ALA 245 N 1.81 -0.27 -3.00 0.00 0.00 -1.76 -3.49 119.26 112.54 2x7g h ALA 245 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2x7g h ALA 245 Cb 0.28 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2x7g h ALA 245 CO 0.02 -0.30 0.00 -0.85 0.00 0.00 0.00 179.25 178.12 2x7g n GLU 246 N -4.95 0.00 -2.24 0.00 0.00 -1.10 -5.16 120.64 107.19 2x7g n GLU 246 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 57.05 2x7g n GLU 246 Cb 0.22 0.00 0.02 0.00 0.00 0.00 0.00 31.44 31.68 2x7g n GLU 246 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 2x7g n LEU 522 N 0.00 -2.75 -3.54 -1.84 -0.00 -1.26 -5.09 117.00 102.51 2x7g n LEU 522 Ca 0.00 -0.18 -0.08 0.00 -0.00 0.00 0.00 56.01 55.75 2x7g n LEU 522 Cb 0.00 -1.25 -0.03 0.00 -0.00 0.00 0.00 43.42 42.15 2x7g n LEU 522 CO 0.00 0.08 0.80 -0.22 -0.00 0.00 0.00 177.39 178.04 2x7g s LEU 523 N -3.40 -0.30 -0.69 1.47 2.96 -1.26 -4.82 118.68 112.64 2x7g s LEU 523 Ca 0.05 0.07 -0.24 0.00 -0.22 0.00 0.00 54.13 53.79 2x7g s LEU 523 Cb -0.01 1.81 0.05 0.00 0.50 0.00 0.00 46.19 48.55 2x7g s LEU 523 CO 0.21 -0.46 1.09 -0.69 -1.32 0.00 0.00 176.35 175.18 2x7g s VAL 524 N -2.55 4.08 -0.36 1.68 1.01 -1.26 -4.99 120.40 118.00 2x7g s VAL 524 Ca 0.05 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 2x7g s VAL 524 Cb -0.01 -4.78 0.02 0.00 0.00 0.00 0.00 36.38 31.61 2x7g s VAL 524 CO -0.06 -1.62 1.09 0.21 0.00 0.00 0.00 175.10 174.72 2x7g s ASN 525 N 3.70 6.85 0.00 3.32 3.84 -1.26 -4.92 114.94 126.47 2x7g s ASN 525 Ca 0.27 0.88 0.30 0.00 0.21 0.00 0.00 52.86 54.52 2x7g s ASN 525 Cb -0.13 -2.54 1.39 0.00 -0.55 0.00 0.00 41.25 39.42 2x7g s ASN 525 CO 0.12 -0.98 1.94 -0.81 -2.79 0.00 0.00 177.10 174.58 2x7g n PRO 526 N 7.14 1.11 0.00 0.43 -0.04 -1.26 -3.21 135.00 139.17 2x7g n PRO 526 Ca 0.12 -0.40 0.13 0.00 -0.04 0.00 0.00 63.50 63.31 2x7g n PRO 526 Cb 0.48 -1.49 0.38 0.00 -0.04 0.00 0.00 33.50 32.82 2x7g n PRO 526 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2x7g n LEU 527 N -0.60 1.01 -4.55 1.53 4.77 -1.26 -4.50 117.00 113.40 2x7g n LEU 527 Ca 0.19 -0.26 -0.41 0.00 -0.03 0.00 0.00 56.01 55.51 2x7g n LEU 527 Cb 0.25 -0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.12 2x7g n LEU 527 CO 0.19 0.19 0.07 -0.62 -1.33 0.00 0.00 177.39 175.89 2x7g s ASP 528 N -2.50 6.20 0.57 -1.43 -1.08 -1.20 -4.62 116.67 112.62 2x7g s ASP 528 Ca 0.24 -0.17 0.28 0.00 -0.52 0.00 0.00 52.55 52.39 2x7g s ASP 528 Cb 0.19 -2.21 1.72 0.00 -1.46 0.00 0.00 42.92 41.16 2x7g s ASP 528 CO 0.52 -0.35 2.22 1.55 0.52 0.00 0.00 175.17 179.63 2x7g h PRO 529 N 8.44 0.00 0.00 4.34 0.13 -1.88 -1.36 132.00 141.67 2x7g h PRO 529 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2x7g h PRO 529 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2x7g h PRO 529 CO 0.70 0.02 0.00 0.00 -0.23 0.00 0.00 178.00 178.50 2x7g h ARG 530 N 0.00 0.00 -0.14 0.86 3.08 -1.93 -2.48 114.38 113.76 2x7g h ARG 530 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2x7g h ARG 530 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2x7g h ARG 530 CO 0.00 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 2x7g n ASN 531 N -2.93 1.99 -0.34 7.04 3.02 -0.51 -4.62 115.26 118.91 2x7g n ASN 531 Ca -0.01 -1.72 0.22 0.00 -0.03 0.00 0.00 54.58 53.04 2x7g n ASN 531 Cb 0.15 -0.08 0.45 0.00 -0.61 0.00 0.00 39.78 39.68 2x7g n ASN 531 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2x7g h ALA 532 N 4.26 1.90 0.00 5.41 0.00 -1.59 0.37 119.26 129.61 2x7g h ALA 532 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2x7g h ALA 532 Cb 0.61 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2x7g h ALA 532 CO 0.00 -0.51 -0.66 -0.25 0.00 0.00 0.00 179.25 177.84 2x7g n ASP 533 N -5.02 0.63 0.02 0.00 8.00 -1.26 -3.64 116.55 115.27 2x7g n ASP 533 Ca 0.30 -0.40 0.12 0.00 0.71 0.00 0.00 54.79 55.52 2x7g n ASP 533 Cb 0.93 0.46 0.28 0.00 -0.02 0.00 0.00 41.12 42.77 2x7g n ASP 533 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2x7g n LYS 534 N -1.55 0.10 -2.21 -1.24 5.02 0.09 -4.93 118.16 113.43 2x7g n LYS 534 Ca 0.05 0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.95 2x7g n LYS 534 Cb 0.34 -1.56 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 2x7g n LYS 534 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2x7g s ILE 535 N -3.05 3.32 -0.05 -0.18 1.01 -1.06 -5.02 121.20 116.16 2x7g s ILE 535 Ca 0.10 1.01 0.04 0.00 0.00 0.00 0.00 60.65 61.79 2x7g s ILE 535 Cb 0.16 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.99 2x7g s ILE 535 CO 0.68 0.11 -0.16 -0.13 0.00 0.00 0.00 174.94 175.44 2x7g s ARG 536 N 0.53 1.75 0.07 2.79 1.81 -1.26 -4.93 118.95 119.71 2x7g s ARG 536 Ca 0.60 -0.55 0.03 0.00 -1.72 0.00 0.00 55.73 54.10 2x7g s ARG 536 Cb -0.36 -1.49 -0.03 0.00 -0.45 0.00 0.00 34.95 32.62 2x7g s ARG 536 CO 0.34 0.18 -0.10 0.14 -0.68 0.00 0.00 175.30 175.18 2x7g s VAL 537 N 0.20 0.81 0.06 3.52 -7.23 -1.26 -0.66 120.40 115.84 2x7g s VAL 537 Ca -0.07 -1.32 0.06 0.00 -1.81 0.00 0.00 61.98 58.84 2x7g s VAL 537 Cb -0.12 -0.97 -0.03 0.00 0.56 0.00 0.00 36.38 35.82 2x7g s VAL 537 CO 0.03 -0.40 -0.15 -0.54 -0.31 0.00 0.00 175.10 173.72 2x7g s LYS 538 N -2.02 0.95 0.02 4.82 1.02 -0.31 -4.79 119.74 119.43 2x7g s LYS 538 Ca -0.03 -0.89 -0.30 0.00 0.02 0.00 0.00 55.97 54.77 2x7g s LYS 538 Cb -0.08 -0.99 -0.04 0.00 -0.52 0.00 0.00 37.83 36.20 2x7g s LYS 538 CO 0.01 0.24 1.09 0.42 -0.92 0.00 0.00 175.35 176.19 2x7g s ILE 539 N -1.04 4.45 0.42 2.17 1.01 0.21 -1.17 121.20 127.26 2x7g s ILE 539 Ca 0.01 1.76 0.03 0.00 0.00 0.00 0.00 60.65 62.46 2x7g s ILE 539 Cb -0.09 -4.13 -0.01 0.00 0.01 0.00 0.00 42.46 38.24 2x7g s ILE 539 CO 0.02 0.12 0.12 0.00 0.00 0.00 0.00 174.94 175.20 2x7g n ALA 540 N 4.07 0.54 -2.74 9.38 0.00 -0.53 -0.95 120.51 130.29 2x7g n ALA 540 Ca 0.08 -2.08 -0.10 0.00 0.00 0.00 0.00 53.44 51.33 2x7g n ALA 540 Cb 0.48 1.35 0.05 0.00 0.00 0.00 0.00 19.45 21.34 2x7g n ALA 540 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2x7g n ASP 541 N -1.49 -4.66 -0.33 0.00 9.92 -1.26 -4.78 116.55 113.96 2x7g n ASP 541 Ca -0.08 -0.47 0.01 0.00 -0.53 0.00 0.00 54.79 53.71 2x7g n ASP 541 Cb 0.61 -3.70 0.02 0.00 -0.64 0.00 0.00 41.12 37.41 2x7g n ASP 541 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2x7g n LEU 542 N -2.75 0.75 0.25 0.64 4.32 -1.26 -4.36 117.00 114.59 2x7g n LEU 542 Ca -0.07 -0.38 0.10 0.00 -0.02 0.00 0.00 56.01 55.64 2x7g n LEU 542 Cb 0.59 -0.26 0.65 0.00 -1.62 0.00 0.00 43.42 42.78 2x7g n LEU 542 CO 0.40 0.16 0.96 1.23 -1.22 0.00 0.00 177.39 178.93 2x7g h GLY 543 N 5.44 0.00 -2.59 -0.72 0.00 -1.91 -0.61 103.07 102.67 2x7g h GLY 543 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 2x7g h GLY 543 CO 0.01 0.00 0.07 0.70 0.00 0.00 0.00 176.54 177.33 2x7g n ASN 544 N -3.93 4.30 -4.87 0.19 5.03 -1.26 -4.81 115.26 109.91 2x7g n ASN 544 Ca -0.02 -3.17 -0.31 0.00 0.87 0.00 0.00 54.58 51.95 2x7g n ASN 544 Cb 0.23 -0.64 -0.00 0.00 -1.02 0.00 0.00 39.78 38.35 2x7g n ASN 544 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2x7g s ALA 545 N -2.93 3.11 0.13 5.41 0.00 -0.24 -4.66 121.76 122.58 2x7g s ALA 545 Ca 0.49 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.40 2x7g s ALA 545 Cb 0.39 -3.07 -0.00 0.00 0.00 0.00 0.00 23.12 20.44 2x7g s ALA 545 CO 0.10 -0.58 0.16 0.00 0.00 0.00 0.00 175.76 175.44 2x7g s TRP 547 N -3.65 2.76 0.38 0.00 0.51 -0.38 -0.41 118.94 118.15 2x7g s TRP 547 Ca 0.12 -0.18 0.12 0.00 -2.12 0.00 0.00 56.10 54.04 2x7g s TRP 547 Cb -0.00 -1.31 0.92 0.00 -0.81 0.00 0.00 33.47 32.28 2x7g s TRP 547 CO 0.09 0.54 1.87 0.28 -0.51 0.00 0.00 176.95 179.22 2x7g h VAL 548 N 2.36 0.78 -0.22 4.03 2.07 -1.37 -1.91 116.25 121.99 2x7g h VAL 548 Ca -0.46 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2x7g h VAL 548 Cb 1.22 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2x7g h VAL 548 CO 0.58 0.10 0.00 1.41 0.02 0.00 0.00 177.57 179.68 2x7g n HIS 549 N -4.55 0.71 -3.30 1.57 8.25 -1.26 -4.82 115.22 111.82 2x7g n HIS 549 Ca 0.18 -0.84 -0.09 0.00 -0.26 0.00 0.00 57.72 56.70 2x7g n HIS 549 Cb 0.55 -0.25 -0.06 0.00 1.12 0.00 0.00 29.99 31.35 2x7g n HIS 549 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2x7g s LYS 550 N -2.58 0.50 0.21 -0.41 2.47 -0.72 -5.14 119.74 114.07 2x7g s LYS 550 Ca 0.37 -0.09 -0.20 0.00 -1.56 0.00 0.00 55.97 54.50 2x7g s LYS 550 Cb 0.30 -0.33 -0.08 0.00 -1.46 0.00 0.00 37.83 36.25 2x7g s LYS 550 CO 0.08 -1.08 0.71 -1.01 0.16 0.00 0.00 175.35 174.22 2x7g s HIS 551 N 2.28 3.67 -0.09 4.03 3.76 -1.25 -1.25 115.29 126.42 2x7g s HIS 551 Ca 0.12 1.38 0.04 0.00 -0.15 0.00 0.00 55.06 56.45 2x7g s HIS 551 Cb -0.12 -2.61 -0.24 0.00 1.11 0.00 0.00 32.58 30.71 2x7g s HIS 551 CO -0.23 0.36 0.47 1.19 -0.85 0.00 0.00 174.74 175.67 2x7g n PHE 552 N 0.81 1.04 -3.80 1.40 3.72 -1.26 -5.01 117.46 114.36 2x7g n PHE 552 Ca -0.03 0.29 -0.09 0.00 -0.05 0.00 0.00 57.45 57.57 2x7g n PHE 552 Cb 0.51 -1.16 -0.03 0.00 -0.94 0.00 0.00 39.48 37.85 2x7g n PHE 552 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 2x7g s THR 553 N -2.57 0.01 -0.97 4.37 -1.32 -1.26 -5.05 115.64 108.84 2x7g s THR 553 Ca -0.14 -0.90 0.18 0.00 -1.21 0.00 0.00 61.69 59.62 2x7g s THR 553 Cb 0.07 -1.77 -0.18 0.00 -1.51 0.00 0.00 72.50 69.12 2x7g s THR 553 CO 0.79 -0.06 0.80 -0.62 -2.21 0.00 0.00 174.62 173.33 2x7g n GLU 554 N -0.38 1.01 -2.84 7.08 -0.58 -1.26 -4.74 120.64 118.93 2x7g n GLU 554 Ca -0.07 -0.11 -0.43 0.00 -0.42 0.00 0.00 57.16 56.12 2x7g n GLU 554 Cb 0.62 -1.37 -0.02 0.00 -0.57 0.00 0.00 31.44 30.09 2x7g n GLU 554 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2x7g s ASP 555 N -2.66 6.62 0.35 1.62 2.15 -1.26 -4.99 116.67 118.51 2x7g s ASP 555 Ca 0.08 -1.96 0.09 0.00 0.43 0.00 0.00 52.55 51.19 2x7g s ASP 555 Cb 0.14 -2.44 -0.07 0.00 -0.30 0.00 0.00 42.92 40.25 2x7g s ASP 555 CO 0.72 -1.15 -0.06 0.27 -0.17 0.00 0.00 175.17 174.78 2x7g s ILE 556 N 3.17 2.25 0.12 4.11 -4.36 -1.26 -5.09 121.20 120.15 2x7g s ILE 556 Ca 0.36 -2.14 0.00 0.00 -0.26 0.00 0.00 60.65 58.61 2x7g s ILE 556 Cb -0.03 -2.72 0.00 0.00 1.25 0.00 0.00 42.46 40.95 2x7g s ILE 556 CO -0.09 -0.17 0.00 0.00 0.24 0.00 0.00 174.94 174.92 2x7g n GLN 557 N -0.84 -1.13 -1.97 0.37 6.02 -1.06 -4.92 117.38 113.85 2x7g n GLN 557 Ca -0.05 0.84 -0.39 0.00 -0.01 0.00 0.00 57.00 57.39 2x7g n GLN 557 Cb 0.64 -0.94 0.00 0.00 1.02 0.00 0.00 30.24 30.96 2x7g n GLN 557 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2x7g s THR 558 N -2.20 2.44 0.22 5.09 2.01 -1.26 -4.82 115.64 117.12 2x7g s THR 558 Ca 0.00 0.39 -0.17 0.00 0.31 0.00 0.00 61.69 62.23 2x7g s THR 558 Cb 0.00 -3.23 0.24 0.00 0.01 0.00 0.00 72.50 69.52 2x7g s THR 558 CO 0.00 0.06 1.57 -0.09 -0.69 0.00 0.00 174.62 175.46 2x7g h ARG 559 N 2.54 -0.05 0.00 4.92 9.65 -1.98 -0.98 114.38 128.49 2x7g h ARG 559 Ca -0.50 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.38 2x7g h ARG 559 Cb 1.25 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.84 2x7g h ARG 559 CO 0.62 -0.03 -0.02 1.96 2.80 0.00 0.00 179.97 185.30 2x7g h GLN 560 N -0.05 0.00 -0.67 0.20 7.50 -1.91 -1.98 115.11 118.21 2x7g h GLN 560 Ca 0.33 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.48 2x7g h GLN 560 Cb 0.60 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.13 2x7g h GLN 560 CO -0.88 0.02 0.00 0.66 -1.50 0.00 0.00 178.83 177.13 2x7g n TYR 561 N -3.11 0.88 -2.97 2.96 4.01 -0.40 -4.46 117.16 114.06 2x7g n TYR 561 Ca 0.02 -0.45 -0.40 0.00 -0.16 0.00 0.00 57.90 56.90 2x7g n TYR 561 Cb 0.39 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.38 2x7g n TYR 561 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2x7g s ARG 562 N -1.09 4.44 0.60 -0.72 3.52 -0.75 -3.97 118.95 120.99 2x7g s ARG 562 Ca 0.47 0.98 -0.11 0.00 -0.13 0.00 0.00 55.73 56.94 2x7g s ARG 562 Cb 0.25 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 30.13 2x7g s ARG 562 CO 0.33 -0.00 1.01 -1.54 -0.81 0.00 0.00 175.30 174.28 2x7g s SER 563 N 0.88 6.26 0.29 -2.12 1.04 -1.26 -4.89 113.70 113.90 2x7g s SER 563 Ca 0.40 1.40 -0.02 0.00 0.48 0.00 0.00 55.95 58.20 2x7g s SER 563 Cb -0.18 -2.46 0.41 0.00 0.10 0.00 0.00 66.02 63.90 2x7g s SER 563 CO 0.19 -0.83 1.93 -0.29 0.98 0.00 0.00 173.24 175.22 2x7g h ILE 564 N -0.19 1.22 -0.24 -1.02 6.09 -1.95 -2.28 117.51 119.13 2x7g h ILE 564 Ca -0.44 -0.49 -0.08 0.00 -1.37 0.00 0.00 64.86 62.47 2x7g h ILE 564 Cb 1.19 0.13 -0.01 0.00 0.47 0.00 0.00 36.82 38.59 2x7g h ILE 564 CO 0.62 0.23 -0.21 1.05 -3.07 0.00 0.00 178.15 176.77 2x7g h GLU 565 N 1.07 0.44 -0.36 2.19 9.09 -1.88 -1.72 114.58 123.42 2x7g h GLU 565 Ca 0.28 -0.15 -0.11 0.00 0.05 0.00 0.00 59.36 59.43 2x7g h GLU 565 Cb -0.03 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.02 2x7g h GLU 565 CO -0.05 0.63 -0.19 0.28 0.05 0.00 0.00 179.01 179.72 2x7g h VAL 566 N 0.40 1.29 -0.68 -1.06 2.07 -1.67 0.23 116.25 116.83 2x7g h VAL 566 Ca 0.07 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 2x7g h VAL 566 Cb 0.59 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 2x7g h VAL 566 CO 0.04 0.44 0.38 -0.07 0.02 0.00 0.00 177.57 178.37 2x7g h LEU 567 N 0.54 0.85 -0.05 2.57 3.38 -0.83 -2.16 115.31 119.60 2x7g h LEU 567 Ca 0.08 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2x7g h LEU 567 Cb 0.74 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2x7g h LEU 567 CO 0.06 0.70 -0.27 2.30 0.09 0.00 0.00 178.44 181.31 2x7g n ILE 568 N -4.51 0.00 -2.75 1.22 -5.35 -0.71 -4.82 119.36 102.43 2x7g n ILE 568 Ca 0.05 -0.01 -0.07 0.00 -0.27 0.00 0.00 62.75 62.45 2x7g n ILE 568 Cb 0.09 -0.04 0.02 0.00 -1.74 0.00 0.00 39.64 37.97 2x7g n ILE 568 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2x7g n GLY 569 N 1.46 0.47 1.83 3.28 0.00 -0.77 -0.00 105.19 111.46 2x7g n GLY 569 Ca 0.08 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 45.78 2x7g n GLY 569 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x7g n ALA 570 N -3.01 3.70 -0.25 4.61 0.00 0.76 -1.02 120.51 125.30 2x7g n ALA 570 Ca -0.01 -1.83 0.03 0.00 0.00 0.00 0.00 53.44 51.63 2x7g n ALA 570 Cb 0.52 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.85 2x7g n ALA 570 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x7g n GLY 571 N 0.76 -2.43 3.42 0.00 0.00 -1.25 -4.98 105.19 100.71 2x7g n GLY 571 Ca 0.27 -1.40 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 2x7g n GLY 571 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2x7g s TYR 572 N -2.75 0.61 0.00 1.61 -0.85 -1.26 -4.47 117.35 110.25 2x7g s TYR 572 Ca 0.00 -0.93 0.00 0.00 -0.52 0.00 0.00 57.07 55.62 2x7g s TYR 572 Cb 0.00 -0.09 0.00 0.00 0.38 0.00 0.00 41.96 42.25 2x7g s TYR 572 CO 0.00 -0.83 0.00 0.45 -1.52 0.00 0.00 175.55 173.65 2x7g n SER 573 N -0.32 0.64 0.30 -0.18 2.88 -1.26 -5.00 113.62 110.68 2x7g n SER 573 Ca -0.02 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.71 2x7g n SER 573 Cb 0.63 0.00 1.01 0.00 -0.75 0.00 0.00 64.21 65.10 2x7g n SER 573 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 2x7g h THR 574 N 0.00 0.27 0.00 2.46 1.35 -1.97 -2.42 112.91 112.60 2x7g h THR 574 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2x7g h THR 574 Cb 0.00 0.94 -0.00 0.00 -1.73 0.00 0.00 68.15 67.36 2x7g h THR 574 CO 0.00 0.00 -0.02 -0.65 -0.25 0.00 0.00 175.52 174.60 2x7g h PRO 575 N 0.00 0.00 -0.50 4.72 0.11 -1.94 -2.32 132.00 132.06 2x7g h PRO 575 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2x7g h PRO 575 Cb 0.15 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.24 2x7g h PRO 575 CO -0.00 0.02 0.31 0.00 -0.21 0.00 0.00 178.00 178.12 2x7g h ALA 576 N 1.98 1.60 0.00 -0.75 0.00 -1.83 -1.83 119.26 118.43 2x7g h ALA 576 Ca -0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2x7g h ALA 576 Cb 0.39 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2x7g h ALA 576 CO 0.00 0.35 -0.39 -0.44 0.00 0.00 0.00 179.25 178.78 2x7g h ASP 577 N 0.69 0.00 -0.05 0.00 3.32 -1.62 -2.57 116.42 116.19 2x7g h ASP 577 Ca 0.18 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 57.01 2x7g h ASP 577 Cb -0.04 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.52 2x7g h ASP 577 CO -0.04 0.39 -0.86 0.40 -1.72 0.00 0.00 179.24 177.41 2x7g h ILE 578 N 0.00 1.31 0.17 0.35 1.08 -1.41 -1.85 117.51 117.16 2x7g h ILE 578 Ca -0.00 -2.11 0.01 0.00 -0.39 0.00 0.00 64.86 62.36 2x7g h ILE 578 Cb 0.82 2.30 -0.02 0.00 -3.07 0.00 0.00 36.82 36.85 2x7g h ILE 578 CO 0.05 0.65 -0.19 -0.25 -0.69 0.00 0.00 178.15 177.72 2x7g h TRP 579 N 0.33 -0.50 -0.89 1.37 2.91 -1.35 -1.44 115.95 116.38 2x7g h TRP 579 Ca -0.09 0.00 0.17 0.00 1.13 0.00 0.00 58.89 60.10 2x7g h TRP 579 Cb 1.52 0.20 -0.10 0.00 -0.51 0.00 0.00 29.16 30.26 2x7g h TRP 579 CO 0.11 -0.28 0.46 0.77 -1.03 0.00 0.00 178.44 178.46 2x7g h SER 580 N -0.40 0.54 -0.66 2.65 0.02 -1.47 -1.16 113.55 113.07 2x7g h SER 580 Ca 0.01 0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 2x7g h SER 580 Cb 0.39 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 2x7g h SER 580 CO -0.06 0.19 0.11 0.74 -1.14 0.00 0.00 176.83 176.67 2x7g h THR 581 N 0.61 1.26 -0.38 -2.27 2.02 -0.81 0.14 112.91 113.48 2x7g h THR 581 Ca 0.50 -1.03 -0.04 0.00 0.77 0.00 0.00 66.41 66.61 2x7g h THR 581 Cb 0.77 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 2x7g h THR 581 CO -0.39 0.39 0.10 0.00 0.37 0.00 0.00 175.52 175.99 2x7g h ALA 582 N 1.08 0.51 -0.84 6.16 0.00 -0.45 0.84 119.26 126.56 2x7g h ALA 582 Ca 0.20 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.01 2x7g h ALA 582 Cb 0.43 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 2x7g h ALA 582 CO 0.01 0.17 0.51 0.00 0.00 0.00 0.00 179.25 179.94 2x7g h MET 584 N 0.90 0.49 -0.70 0.00 -1.53 -0.33 -2.79 114.93 110.98 2x7g h MET 584 Ca 0.38 -0.35 -0.05 0.00 -3.44 0.00 0.00 59.70 56.24 2x7g h MET 584 Cb 0.24 0.06 -0.03 0.00 -0.55 0.00 0.00 31.60 31.31 2x7g h MET 584 CO -0.20 0.97 0.23 0.00 0.14 0.00 0.00 176.91 178.05 2x7g h ALA 585 N 0.95 1.09 -0.25 0.39 0.00 -0.55 0.15 119.26 121.05 2x7g h ALA 585 Ca -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2x7g h ALA 585 Cb 1.19 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2x7g h ALA 585 CO 0.11 0.62 0.06 0.35 0.00 0.00 0.00 179.25 180.40 2x7g h PHE 586 N 1.03 0.42 -0.55 0.00 3.57 -1.43 -2.05 116.94 117.92 2x7g h PHE 586 Ca 0.23 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 2x7g h PHE 586 Cb 0.27 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 2x7g h PHE 586 CO 0.02 0.48 0.16 1.49 -2.23 0.00 0.00 178.31 178.23 2x7g h GLU 587 N 0.23 0.83 -0.01 1.11 4.81 -1.20 -0.77 114.58 119.58 2x7g h GLU 587 Ca 0.08 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 59.06 2x7g h GLU 587 Cb 0.27 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2x7g h GLU 587 CO 0.00 0.73 -0.42 -0.07 -0.73 0.00 0.00 179.01 178.52 2x7g h LEU 588 N 0.81 0.03 0.00 1.64 3.38 -0.49 0.15 115.31 120.82 2x7g h LEU 588 Ca 0.18 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 2x7g h LEU 588 Cb 0.26 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2x7g h LEU 588 CO -0.01 0.45 -0.91 0.00 0.09 0.00 0.00 178.44 178.06 2x7g h ALA 589 N 1.55 0.66 0.00 1.53 0.00 -0.73 0.12 119.26 122.38 2x7g h ALA 589 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2x7g h ALA 589 Cb 0.76 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2x7g h ALA 589 CO 0.06 0.71 -0.87 0.25 0.00 0.00 0.00 179.25 179.40 2x7g n THR 590 N -3.05 0.00 0.00 0.00 -2.24 -0.36 -4.44 114.28 104.19 2x7g n THR 590 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2x7g n THR 590 Cb 0.77 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 2x7g n THR 590 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x7g n GLY 591 N 2.20 2.07 3.64 3.38 0.00 0.52 -4.10 105.19 112.91 2x7g n GLY 591 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2x7g n GLY 591 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2x7g s ASP 592 N -1.77 4.78 0.40 1.61 1.01 -1.25 -4.80 116.67 116.66 2x7g s ASP 592 Ca 0.00 -0.25 -0.27 0.00 0.71 0.00 0.00 52.55 52.74 2x7g s ASP 592 Cb 0.00 -1.06 -0.10 0.00 1.01 0.00 0.00 42.92 42.76 2x7g s ASP 592 CO 0.00 0.18 1.48 -0.31 0.21 0.00 0.00 175.17 176.73 2x7g s TYR 593 N -1.26 2.53 0.11 4.23 2.02 -1.26 -3.55 117.35 120.17 2x7g s TYR 593 Ca 0.24 1.19 -0.13 0.00 -0.37 0.00 0.00 57.07 57.99 2x7g s TYR 593 Cb -0.11 -4.01 -0.12 0.00 -0.40 0.00 0.00 41.96 37.32 2x7g s TYR 593 CO 0.16 -3.02 1.36 1.25 -1.57 0.00 0.00 175.55 173.73 2x7g h LEU 594 N 2.80 0.90 -8.15 -1.29 5.85 -1.89 -3.44 115.31 110.08 2x7g h LEU 594 Ca -0.51 -0.56 -0.58 0.00 0.84 0.00 0.00 57.88 57.07 2x7g h LEU 594 Cb 1.25 -0.26 -0.33 0.00 0.37 0.00 0.00 40.66 41.69 2x7g h LEU 594 CO 0.63 1.29 -0.84 -0.36 -0.34 0.00 0.00 178.44 178.82 2x7g s PHE 595 N -4.02 1.89 -0.41 1.25 0.08 -1.26 -5.07 117.98 110.44 2x7g s PHE 595 Ca -0.11 -0.71 0.08 0.00 0.12 0.00 0.00 56.93 56.31 2x7g s PHE 595 Cb 0.09 -1.31 0.29 0.00 -0.57 0.00 0.00 43.02 41.51 2x7g s PHE 595 CO 0.88 -0.31 0.74 -1.91 -0.10 0.00 0.00 175.22 174.52 2x7g n GLU 596 N 3.60 0.84 -1.39 0.44 2.13 -1.26 -4.59 120.64 120.41 2x7g n GLU 596 Ca -0.21 -2.78 -0.30 0.00 0.66 0.00 0.00 57.16 54.52 2x7g n GLU 596 Cb 0.52 -1.38 0.09 0.00 0.27 0.00 0.00 31.44 30.95 2x7g n GLU 596 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2x7g s PRO 597 N -0.96 2.09 0.05 5.31 0.04 -1.26 -5.07 135.00 135.20 2x7g s PRO 597 Ca 0.34 0.89 -0.02 0.00 0.04 0.00 0.00 61.00 62.24 2x7g s PRO 597 Cb 0.25 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.86 2x7g s PRO 597 CO -0.12 -1.68 0.01 -1.01 0.04 0.00 0.00 177.00 174.24 2x7g s HIS 598 N -3.01 0.43 0.28 0.56 3.76 -1.26 -5.01 115.29 111.03 2x7g s HIS 598 Ca 0.61 -0.93 -0.23 0.00 -0.15 0.00 0.00 55.06 54.37 2x7g s HIS 598 Cb -0.16 -0.31 -0.09 0.00 1.11 0.00 0.00 32.58 33.13 2x7g s HIS 598 CO 0.56 -0.39 0.84 -1.12 -0.85 0.00 0.00 174.74 173.77 2x7g s SER 599 N -2.76 7.19 0.46 1.40 0.01 -1.26 -4.11 113.70 114.64 2x7g s SER 599 Ca 0.04 1.63 0.07 0.00 1.31 0.00 0.00 55.95 59.00 2x7g s SER 599 Cb 0.06 -2.50 -0.01 0.00 0.21 0.00 0.00 66.02 63.77 2x7g s SER 599 CO -0.09 -0.02 0.31 -0.83 0.41 0.00 0.00 173.24 173.02 2x7g s GLY 600 N -1.65 2.30 0.24 3.44 0.00 0.62 -4.95 107.32 107.33 2x7g s GLY 600 Ca 0.47 -1.73 -0.05 0.00 0.00 0.00 0.00 44.72 43.41 2x7g s GLY 600 CO 0.22 -1.86 1.82 -2.09 0.00 0.00 0.00 173.10 171.19 2x7g h GLU 601 N 1.08 0.80 0.00 2.90 4.57 -2.00 -3.26 114.58 118.66 2x7g h GLU 601 Ca -0.40 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 2x7g h GLU 601 Cb 1.27 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 2x7g h GLU 601 CO 0.62 0.53 -1.37 -3.47 -1.18 0.00 0.00 179.01 174.15 2x7g n ASP 602 N -4.72 1.80 -4.45 1.04 2.03 -1.26 -5.02 116.55 105.96 2x7g n ASP 602 Ca 0.13 -0.17 -0.26 0.00 0.52 0.00 0.00 54.79 55.01 2x7g n ASP 602 Cb 0.25 1.45 -0.11 0.00 -0.72 0.00 0.00 41.12 42.00 2x7g n ASP 602 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 2x7g s TYR 603 N -2.72 2.35 0.70 -0.67 -0.85 -1.23 -4.98 117.35 109.95 2x7g s TYR 603 Ca -0.03 -0.33 -0.02 0.00 -0.52 0.00 0.00 57.07 56.17 2x7g s TYR 603 Cb 0.08 -1.14 0.10 0.00 0.38 0.00 0.00 41.96 41.39 2x7g s TYR 603 CO 0.52 0.54 0.97 -1.54 -1.52 0.00 0.00 175.55 174.51 2x7g s SER 604 N -2.83 4.52 0.20 -0.18 1.04 -1.26 -0.27 113.70 114.92 2x7g s SER 604 Ca 0.23 -0.16 -0.07 0.00 0.48 0.00 0.00 55.95 56.43 2x7g s SER 604 Cb -0.08 -0.34 0.14 0.00 0.10 0.00 0.00 66.02 65.84 2x7g s SER 604 CO 0.11 -1.73 1.65 -0.09 0.98 0.00 0.00 173.24 174.16 2x7g h ARG 605 N -0.48 0.96 -0.42 4.02 2.43 -1.93 -0.90 114.38 118.06 2x7g h ARG 605 Ca -0.39 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.46 2x7g h ARG 605 Cb 1.28 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 2x7g h ARG 605 CO 0.45 0.99 0.28 -0.44 -1.51 0.00 0.00 179.97 179.73 2x7g h ASP 606 N 0.87 0.48 -0.39 -3.80 3.32 -1.95 0.12 116.42 115.08 2x7g h ASP 606 Ca 0.15 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2x7g h ASP 606 Cb 0.60 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 2x7g h ASP 606 CO 0.04 0.35 0.24 -0.33 -1.72 0.00 0.00 179.24 177.82 2x7g h GLU 607 N 0.57 0.52 -0.88 3.56 5.08 -1.88 0.08 114.58 121.63 2x7g h GLU 607 Ca 0.15 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2x7g h GLU 607 Cb -0.06 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.03 2x7g h GLU 607 CO -0.03 0.36 0.55 0.22 -1.00 0.00 0.00 179.01 179.11 2x7g h ASP 608 N 0.51 1.04 -0.37 1.42 3.58 -0.68 -0.96 116.42 120.97 2x7g h ASP 608 Ca 0.14 -0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 2x7g h ASP 608 Cb -0.03 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.74 2x7g h ASP 608 CO -0.03 0.78 0.14 -0.74 -2.88 0.00 0.00 179.24 176.51 2x7g h HIS 609 N 1.21 0.57 -0.09 0.28 2.76 0.39 -1.32 115.15 118.95 2x7g h HIS 609 Ca 0.32 -0.05 -0.08 0.00 -2.20 0.00 0.00 60.37 58.36 2x7g h HIS 609 Cb -0.09 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.69 2x7g h HIS 609 CO 0.00 0.52 -0.33 0.82 -1.30 0.00 0.00 177.93 177.65 2x7g h ILE 610 N 0.44 1.27 -0.42 6.26 2.04 -0.58 -1.93 117.51 124.59 2x7g h ILE 610 Ca 0.12 -1.27 -0.05 0.00 1.00 0.00 0.00 64.86 64.66 2x7g h ILE 610 Cb 0.20 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 2x7g h ILE 610 CO -0.01 0.38 0.07 0.00 0.00 0.00 0.00 178.15 178.59 2x7g h ALA 611 N 1.51 0.56 0.00 1.87 0.00 -0.53 -2.38 119.26 120.29 2x7g h ALA 611 Ca 0.02 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 2x7g h ALA 611 Cb 0.66 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2x7g h ALA 611 CO 0.05 0.28 -0.33 0.45 0.00 0.00 0.00 179.25 179.70 2x7g h HIS 612 N 0.56 0.00 -0.30 0.00 3.86 -0.71 -0.99 115.15 117.57 2x7g h HIS 612 Ca 0.13 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.21 2x7g h HIS 612 Cb 0.38 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.84 2x7g h HIS 612 CO 0.03 0.33 -0.32 0.82 0.86 0.00 0.00 177.93 179.64 2x7g h ILE 613 N 0.00 1.30 -0.41 2.45 2.04 -1.12 -2.31 117.51 119.46 2x7g h ILE 613 Ca -0.00 -1.50 -0.10 0.00 1.00 0.00 0.00 64.86 64.26 2x7g h ILE 613 Cb 0.71 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 2x7g h ILE 613 CO 0.04 0.48 -0.14 0.40 0.00 0.00 0.00 178.15 178.94 2x7g h ILE 614 N 0.51 1.28 -0.63 -0.67 2.04 -1.19 0.95 117.51 119.80 2x7g h ILE 614 Ca 0.04 -1.25 0.02 0.00 1.00 0.00 0.00 64.86 64.67 2x7g h ILE 614 Cb 0.90 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 2x7g h ILE 614 CO 0.08 0.42 0.42 -0.33 0.00 0.00 0.00 178.15 178.74 2x7g h GLU 615 N 0.63 0.78 0.13 2.37 5.08 -1.06 -0.18 114.58 122.33 2x7g h GLU 615 Ca 0.10 -0.05 -0.34 0.00 -1.00 0.00 0.00 59.36 58.07 2x7g h GLU 615 Cb 0.68 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2x7g h GLU 615 CO 0.05 0.52 -1.80 1.25 -1.00 0.00 0.00 179.01 178.02 2x7g h LEU 616 N 0.81 0.42 0.00 1.33 5.85 -1.20 -1.46 115.31 121.06 2x7g h LEU 616 Ca 0.24 -0.76 0.00 0.00 0.84 0.00 0.00 57.88 58.20 2x7g h LEU 616 Cb -0.02 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.87 2x7g h LEU 616 CO -0.06 1.66 -0.45 0.18 -0.34 0.00 0.00 178.44 179.43 2x7g n LEU 617 N -3.46 0.22 0.00 2.25 4.77 0.31 -4.10 117.00 116.99 2x7g n LEU 617 Ca -0.25 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 2x7g n LEU 617 Cb 1.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.15 2x7g n LEU 617 CO 0.47 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 2x7g n GLY 618 N 1.32 1.13 3.50 -0.72 0.00 -0.09 -4.99 105.19 105.35 2x7g n GLY 618 Ca 0.01 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 2x7g n GLY 618 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2x7g n SER 619 N 0.00 -0.32 -4.73 1.61 7.64 -1.26 -4.40 113.62 112.16 2x7g n SER 619 Ca 0.00 0.90 -0.38 0.00 1.01 0.00 0.00 58.87 60.40 2x7g n SER 619 Cb 0.00 -1.20 -0.06 0.00 -1.01 0.00 0.00 64.21 61.95 2x7g n SER 619 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2x7g s ILE 620 N -1.47 5.16 0.21 0.44 1.01 -1.26 -5.03 121.20 120.25 2x7g s ILE 620 Ca 0.65 1.01 -0.32 0.00 0.00 0.00 0.00 60.65 61.99 2x7g s ILE 620 Cb -0.55 -3.84 -0.14 0.00 0.01 0.00 0.00 42.46 37.94 2x7g s ILE 620 CO 0.56 0.33 1.35 -2.65 0.00 0.00 0.00 174.94 174.54 2x7g n PRO 621 N 3.56 1.76 -0.04 2.79 -0.02 -1.26 -4.81 135.00 136.98 2x7g n PRO 621 Ca -0.07 0.63 -0.14 0.00 -2.02 0.00 0.00 63.50 61.90 2x7g n PRO 621 Cb 0.52 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 2x7g n PRO 621 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2x7g h ARG 622 N 4.12 0.77 -0.22 -0.52 2.43 -1.98 -1.38 114.38 117.61 2x7g h ARG 622 Ca -0.45 -0.53 -0.14 0.00 -0.81 0.00 0.00 59.98 58.05 2x7g h ARG 622 Cb 1.30 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 2x7g h ARG 622 CO 0.75 1.15 -0.44 0.45 -1.51 0.00 0.00 179.97 180.37 2x7g h HIS 623 N 0.57 0.67 -0.32 2.20 3.86 -1.98 -2.49 115.15 117.66 2x7g h HIS 623 Ca -0.01 -0.20 -0.07 0.00 -1.16 0.00 0.00 60.37 58.93 2x7g h HIS 623 Cb 1.22 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.54 2x7g h HIS 623 CO 0.07 0.90 -0.07 0.35 0.86 0.00 0.00 177.93 180.04 2x7g h PHE 624 N 0.45 0.68 -0.00 2.45 3.57 -1.92 -2.36 116.94 119.80 2x7g h PHE 624 Ca 0.03 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.39 2x7g h PHE 624 Cb 0.95 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.53 2x7g h PHE 624 CO 0.04 0.78 0.00 0.00 -2.23 0.00 0.00 178.31 176.90 2x7g h ALA 625 N 0.80 1.97 -0.02 2.41 0.00 -1.14 -1.31 119.26 121.97 2x7g h ALA 625 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2x7g h ALA 625 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2x7g h ALA 625 CO 0.03 -0.01 -0.27 1.28 0.00 0.00 0.00 179.25 180.29 2x7g n LEU 626 N -4.49 1.88 0.00 0.00 4.77 -0.95 -4.50 117.00 113.71 2x7g n LEU 626 Ca -0.03 -0.64 0.15 0.00 -0.03 0.00 0.00 56.01 55.47 2x7g n LEU 626 Cb 0.09 -0.03 0.90 0.00 -2.33 0.00 0.00 43.42 42.05 2x7g n LEU 626 CO 0.34 0.34 1.07 -1.54 -1.33 0.00 0.00 177.39 176.26 2x7g n SER 627 N 0.10 0.00 -4.77 -1.43 3.41 -0.49 -4.79 113.62 105.65 2x7g n SER 627 Ca 0.12 -0.90 -0.23 0.00 -0.26 0.00 0.00 58.87 57.60 2x7g n SER 627 Cb 0.45 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.32 2x7g n SER 627 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2x7g s GLY 628 N -2.05 1.54 0.00 5.00 0.00 -1.26 -4.74 107.32 105.82 2x7g s GLY 628 Ca 0.45 -1.41 0.15 0.00 0.00 0.00 0.00 44.72 43.90 2x7g s GLY 628 CO 0.36 -1.45 1.45 0.58 0.00 0.00 0.00 173.10 174.04 2x7g n LYS 629 N -0.86 0.10 0.00 2.90 2.85 -0.19 -1.89 118.16 121.07 2x7g n LYS 629 Ca -0.08 0.20 0.06 0.00 -1.05 0.00 0.00 58.31 57.44 2x7g n LYS 629 Cb 0.57 -1.50 0.03 0.00 -0.65 0.00 0.00 35.03 33.48 2x7g n LYS 629 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2x7g n TYR 630 N -1.40 0.00 -0.33 5.58 4.01 0.99 -4.74 117.16 121.26 2x7g n TYR 630 Ca 0.05 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.86 2x7g n TYR 630 Cb 0.15 0.00 0.26 0.00 -0.31 0.00 0.00 39.34 39.44 2x7g n TYR 630 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2x7g h SER 631 N 1.88 0.89 0.99 7.72 0.02 -1.26 -1.39 113.55 122.40 2x7g h SER 631 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2x7g h SER 631 Cb 0.46 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2x7g h SER 631 CO 0.00 0.51 0.00 -1.14 -1.14 0.00 0.00 176.83 175.06 2x7g n ARG 632 N -4.56 0.18 0.11 3.45 0.63 -1.26 -1.36 116.66 113.84 2x7g n ARG 632 Ca 0.17 0.30 -0.04 0.00 -0.92 0.00 0.00 57.85 57.36 2x7g n ARG 632 Cb 0.31 -1.78 0.14 0.00 0.45 0.00 0.00 32.46 31.58 2x7g n ARG 632 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2x7g h GLU 633 N 0.00 0.14 0.00 -0.14 5.08 -1.60 -3.39 114.58 114.68 2x7g h GLU 633 Ca 0.00 -0.10 -0.33 0.00 -1.00 0.00 0.00 59.36 57.93 2x7g h GLU 633 Cb 0.49 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.70 2x7g h GLU 633 CO 0.00 0.71 -2.23 1.19 -1.00 0.00 0.00 179.01 177.68 2x7g n PHE 634 N -3.84 0.00 -4.26 4.33 3.72 -0.96 -4.87 117.46 111.58 2x7g n PHE 634 Ca -0.02 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.11 2x7g n PHE 634 Cb 0.62 -0.84 -0.09 0.00 -0.94 0.00 0.00 39.48 38.23 2x7g n PHE 634 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2x7g s PHE 635 N -2.43 2.69 0.58 1.38 0.08 -0.47 -1.10 117.98 118.72 2x7g s PHE 635 Ca -0.26 -0.19 -0.00 0.00 0.12 0.00 0.00 56.93 56.60 2x7g s PHE 635 Cb 0.07 -1.34 0.04 0.00 -0.57 0.00 0.00 43.02 41.22 2x7g s PHE 635 CO 0.54 0.49 0.82 0.54 -0.10 0.00 0.00 175.22 177.51 2x7g s ASN 636 N -2.68 5.17 0.01 1.36 2.20 -0.35 -4.39 114.94 116.27 2x7g s ASN 636 Ca 0.24 0.06 -0.00 0.00 -0.94 0.00 0.00 52.86 52.22 2x7g s ASN 636 Cb -0.09 -0.89 0.01 0.00 -2.00 0.00 0.00 41.25 38.28 2x7g s ASN 636 CO 0.15 -1.24 0.04 -1.14 -2.94 0.00 0.00 177.10 171.98 2x7g n ARG 637 N -2.45 -0.00 0.00 3.55 0.63 -1.26 -0.81 116.66 116.32 2x7g n ARG 637 Ca 0.08 0.04 0.14 0.00 -0.92 0.00 0.00 57.85 57.19 2x7g n ARG 637 Cb 0.60 -0.07 0.45 0.00 0.45 0.00 0.00 32.46 33.90 2x7g n ARG 637 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2x7g n ARG 638 N -3.97 1.59 -0.12 -0.14 1.74 -1.26 -4.91 116.66 109.59 2x7g n ARG 638 Ca 0.00 -0.98 0.00 0.00 -0.77 0.00 0.00 57.85 56.10 2x7g n ARG 638 Cb 0.02 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 2x7g n ARG 638 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x7g n GLY 639 N 1.22 0.66 3.73 -0.13 0.00 0.01 -5.07 105.19 105.62 2x7g n GLY 639 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2x7g n GLY 639 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x7g s GLU 640 N -0.88 4.41 0.20 1.61 2.02 -1.26 -4.80 118.70 119.99 2x7g s GLU 640 Ca 0.00 0.84 -0.33 0.00 0.02 0.00 0.00 54.97 55.51 2x7g s GLU 640 Cb 0.00 -3.40 -0.14 0.00 0.10 0.00 0.00 34.13 30.68 2x7g s GLU 640 CO 0.00 0.19 1.41 1.28 0.02 0.00 0.00 175.26 178.16 2x7g n LEU 641 N 3.33 2.75 -0.07 1.80 4.77 -1.26 -1.21 117.00 127.11 2x7g n LEU 641 Ca -0.03 1.13 -0.13 0.00 -0.03 0.00 0.00 56.01 56.94 2x7g n LEU 641 Cb 0.51 -1.38 -0.01 0.00 -2.33 0.00 0.00 43.42 40.21 2x7g n LEU 641 CO 0.46 -0.60 0.48 0.03 -1.33 0.00 0.00 177.39 176.43 2x7g h ARG 642 N 4.53 0.82 0.00 3.23 3.08 -1.45 -3.41 114.38 121.19 2x7g h ARG 642 Ca -0.45 -0.49 -0.07 0.00 0.07 0.00 0.00 59.98 59.04 2x7g h ARG 642 Cb 1.28 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.37 2x7g h ARG 642 CO 0.78 1.12 -1.25 0.72 -1.07 0.00 0.00 179.97 180.28 2x7g n HIS 643 N -4.01 0.00 -3.45 3.04 8.25 -1.26 -4.88 115.22 112.91 2x7g n HIS 643 Ca -0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.99 2x7g n HIS 643 Cb 0.60 -0.18 -0.08 0.00 1.12 0.00 0.00 29.99 31.45 2x7g n HIS 643 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2x7g s ILE 644 N -2.09 5.00 -1.00 1.59 1.01 -1.26 -4.92 121.20 119.53 2x7g s ILE 644 Ca -0.03 -1.09 0.09 0.00 0.00 0.00 0.00 60.65 59.63 2x7g s ILE 644 Cb 0.01 -3.97 0.17 0.00 0.01 0.00 0.00 42.46 38.69 2x7g s ILE 644 CO 0.13 -0.52 1.02 0.35 0.00 0.00 0.00 174.94 175.92 2x7g n THR 645 N 5.13 0.51 -4.58 2.92 -2.24 -1.26 -4.72 114.28 110.03 2x7g n THR 645 Ca -0.12 -0.76 -0.32 0.00 -2.27 0.00 0.00 64.05 60.59 2x7g n THR 645 Cb 0.44 0.84 -0.16 0.00 -2.10 0.00 0.00 70.33 69.35 2x7g n THR 645 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2x7g s LYS 646 N -0.90 2.88 -0.01 -0.78 3.01 -1.26 -5.13 119.74 117.54 2x7g s LYS 646 Ca 0.16 -0.80 0.03 0.00 -1.01 0.00 0.00 55.97 54.35 2x7g s LYS 646 Cb 0.09 -2.35 -0.00 0.00 -1.01 0.00 0.00 37.83 34.56 2x7g s LYS 646 CO 0.13 -0.04 -0.10 -0.51 0.51 0.00 0.00 175.35 175.34 2x7g s LEU 647 N 0.89 1.94 -0.44 3.17 1.43 -1.26 -5.13 118.68 119.28 2x7g s LEU 647 Ca -0.06 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 52.90 2x7g s LEU 647 Cb -0.15 -0.52 0.12 0.00 0.03 0.00 0.00 46.19 45.67 2x7g s LEU 647 CO -0.03 0.10 0.17 -0.75 0.23 0.00 0.00 176.35 176.08 2x7g s LYS 648 N -0.09 1.73 0.27 1.70 2.20 -1.26 -5.09 119.74 119.21 2x7g s LYS 648 Ca 0.02 -2.28 -0.29 0.00 -0.36 0.00 0.00 55.97 53.05 2x7g s LYS 648 Cb -0.05 -3.21 -0.14 0.00 -1.51 0.00 0.00 37.83 32.92 2x7g s LYS 648 CO -0.00 -1.04 1.18 -2.30 -0.36 0.00 0.00 175.35 172.83 2x7g n PRO 649 N 3.60 1.65 -3.33 4.03 -0.02 -1.26 -4.88 135.00 134.78 2x7g n PRO 649 Ca 0.05 0.58 -0.12 0.00 -2.02 0.00 0.00 63.50 61.99 2x7g n PRO 649 Cb 0.36 -2.08 -0.07 0.00 -0.02 0.00 0.00 33.50 31.70 2x7g n PRO 649 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 2x7g s TRP 650 N -0.73 -0.78 0.78 6.00 -0.00 -0.55 -5.04 118.94 118.62 2x7g s TRP 650 Ca 0.62 -0.03 -0.11 0.00 -0.00 0.00 0.00 56.10 56.58 2x7g s TRP 650 Cb -0.68 -0.25 0.06 0.00 -0.00 0.00 0.00 33.47 32.60 2x7g s TRP 650 CO 0.57 -0.98 1.10 -1.54 -0.00 0.00 0.00 176.95 176.10 2x7g s SER 651 N 2.24 4.36 0.24 5.86 1.04 -1.26 -4.15 113.70 122.03 2x7g s SER 651 Ca 0.11 1.89 -0.05 0.00 0.48 0.00 0.00 55.95 58.39 2x7g s SER 651 Cb -0.13 -2.53 0.39 0.00 0.10 0.00 0.00 66.02 63.85 2x7g s SER 651 CO -0.24 -2.13 1.80 0.25 0.98 0.00 0.00 173.24 173.90 2x7g h LEU 652 N -1.11 0.62 -0.44 2.42 5.85 -1.94 -0.55 115.31 120.15 2x7g h LEU 652 Ca -0.44 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.36 2x7g h LEU 652 Cb 1.24 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 2x7g h LEU 652 CO 0.50 0.35 0.24 0.15 -0.34 0.00 0.00 178.44 179.34 2x7g h PHE 653 N 0.74 0.44 -0.16 1.25 3.57 -1.92 -2.00 116.94 118.85 2x7g h PHE 653 Ca 0.39 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.79 2x7g h PHE 653 Cb 0.37 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 2x7g h PHE 653 CO -0.07 0.24 -0.39 -0.44 -2.23 0.00 0.00 178.31 175.41 2x7g h ASP 654 N 0.47 0.36 0.27 0.41 3.32 -1.65 -1.74 116.42 117.87 2x7g h ASP 654 Ca 0.19 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2x7g h ASP 654 Cb 0.07 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2x7g h ASP 654 CO -0.11 0.72 -0.19 0.58 -1.72 0.00 0.00 179.24 178.52 2x7g h VAL 655 N 0.29 0.60 -0.59 -1.35 2.07 -0.83 0.23 116.25 116.67 2x7g h VAL 655 Ca 0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.59 2x7g h VAL 655 Cb 0.82 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 2x7g h VAL 655 CO 0.07 0.00 0.34 -0.07 0.02 0.00 0.00 177.57 177.93 2x7g h LEU 656 N -0.46 0.53 0.00 2.57 3.38 -1.18 0.16 115.31 120.32 2x7g h LEU 656 Ca -0.02 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2x7g h LEU 656 Cb 0.39 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2x7g h LEU 656 CO 0.01 0.36 -0.21 0.58 0.09 0.00 0.00 178.44 179.28 2x7g h VAL 657 N 0.66 1.58 0.20 1.22 2.07 -1.18 -2.70 116.25 118.11 2x7g h VAL 657 Ca 0.25 -1.98 -0.32 0.00 0.82 0.00 0.00 66.70 65.46 2x7g h VAL 657 Cb 0.08 2.86 0.02 0.00 -1.52 0.00 0.00 31.29 32.73 2x7g h VAL 657 CO -0.13 0.54 -1.44 -0.33 0.02 0.00 0.00 177.57 176.23 2x7g h GLU 658 N -0.59 0.43 0.06 1.57 5.08 -0.49 -1.48 114.58 119.16 2x7g h GLU 658 Ca -0.03 -0.73 -0.31 0.00 -1.00 0.00 0.00 59.36 57.29 2x7g h GLU 658 Cb 0.99 0.27 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 2x7g h GLU 658 CO 0.04 1.34 -1.67 -0.22 -1.00 0.00 0.00 179.01 177.50 2x7g h LYS 659 N 0.12 0.14 -0.05 2.33 3.64 -0.78 -3.39 116.57 118.57 2x7g h LYS 659 Ca -0.23 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2x7g h LYS 659 Cb 2.10 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 34.00 2x7g h LYS 659 CO 0.24 0.88 0.00 0.66 -2.27 0.00 0.00 179.45 178.96 2x7g n TYR 660 N -3.29 0.06 -1.85 1.91 4.01 -1.13 -5.02 117.16 111.86 2x7g n TYR 660 Ca -0.19 -0.11 -0.19 0.00 -0.16 0.00 0.00 57.90 57.25 2x7g n TYR 660 Cb 1.04 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 40.01 2x7g n TYR 660 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x7g n GLY 661 N 0.32 1.01 3.77 2.72 0.00 -0.56 -4.95 105.19 107.50 2x7g n GLY 661 Ca 0.05 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 2x7g n GLY 661 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2x7g s TRP 662 N -2.80 2.77 0.57 1.61 0.52 -1.03 -4.97 118.94 115.61 2x7g s TRP 662 Ca 0.00 1.43 -0.21 0.00 0.02 0.00 0.00 56.10 57.34 2x7g s TRP 662 Cb 0.00 -3.63 -0.04 0.00 -1.15 0.00 0.00 33.47 28.65 2x7g s TRP 662 CO 0.00 -2.07 1.34 -2.14 0.02 0.00 0.00 176.95 174.10 2x7g s PRO 663 N -2.39 3.01 0.15 4.98 0.02 -1.26 -4.60 135.00 134.91 2x7g s PRO 663 Ca 0.60 2.19 -0.17 0.00 0.02 0.00 0.00 61.00 63.64 2x7g s PRO 663 Cb -0.37 -2.16 0.04 0.00 0.02 0.00 0.00 34.50 32.04 2x7g s PRO 663 CO 0.46 -1.28 1.73 0.45 -0.33 0.00 0.00 177.00 178.03 2x7g h HIS 664 N 1.25 0.12 -0.36 6.54 3.86 -1.99 -2.34 115.15 122.21 2x7g h HIS 664 Ca -0.51 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 58.75 2x7g h HIS 664 Cb 1.31 -0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.74 2x7g h HIS 664 CO 0.45 0.03 0.18 1.49 0.86 0.00 0.00 177.93 180.94 2x7g h GLU 665 N 0.18 0.36 -0.85 2.45 4.57 -1.99 -0.59 114.58 118.71 2x7g h GLU 665 Ca 0.15 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.32 2x7g h GLU 665 Cb 0.16 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.62 2x7g h GLU 665 CO -0.19 0.24 0.56 -0.44 -1.18 0.00 0.00 179.01 178.00 2x7g h ASP 666 N 0.37 0.96 -0.25 1.04 5.19 -1.82 -1.85 116.42 120.06 2x7g h ASP 666 Ca 0.15 -0.02 -0.08 0.00 -0.62 0.00 0.00 57.03 56.47 2x7g h ASP 666 Cb 0.06 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.33 2x7g h ASP 666 CO -0.10 0.68 -0.14 0.00 -3.12 0.00 0.00 179.24 176.56 2x7g h ALA 667 N 1.48 0.36 -0.63 3.45 0.00 -1.09 -2.53 119.26 120.31 2x7g h ALA 667 Ca 0.32 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2x7g h ALA 667 Cb -0.09 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 2x7g h ALA 667 CO -0.08 0.24 0.35 0.00 0.00 0.00 0.00 179.25 179.76 2x7g h ALA 668 N 0.72 0.83 -0.40 0.00 0.00 -0.83 0.24 119.26 119.81 2x7g h ALA 668 Ca 0.05 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2x7g h ALA 668 Cb 0.65 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2x7g h ALA 668 CO 0.04 0.03 -0.17 1.96 0.00 0.00 0.00 179.25 181.11 2x7g h GLN 669 N 0.66 0.76 0.04 0.00 4.20 -1.29 -0.38 115.11 119.09 2x7g h GLN 669 Ca 0.27 -0.28 -0.25 0.00 0.06 0.00 0.00 58.65 58.45 2x7g h GLN 669 Cb 0.14 -0.05 0.02 0.00 0.30 0.00 0.00 27.48 27.90 2x7g h GLN 669 CO -0.16 0.88 -1.01 0.35 -0.67 0.00 0.00 178.83 178.22 2x7g h PHE 670 N 0.67 0.95 0.01 2.96 3.57 -1.25 -2.69 116.94 121.17 2x7g h PHE 670 Ca 0.10 -0.54 0.02 0.00 3.53 0.00 0.00 57.97 61.08 2x7g h PHE 670 Cb 0.66 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 2x7g h PHE 670 CO 0.03 1.38 -0.12 1.15 -2.23 0.00 0.00 178.31 178.53 2x7g h THR 671 N 0.24 0.71 -0.91 4.41 2.02 -0.81 -0.63 112.91 117.95 2x7g h THR 671 Ca -0.14 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.27 2x7g h THR 671 Cb 1.69 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 68.75 2x7g h THR 671 CO 0.20 0.00 0.62 0.44 0.37 0.00 0.00 175.52 177.14 2x7g h ASP 672 N -0.20 0.26 0.48 4.18 3.32 -1.08 -0.50 116.42 122.87 2x7g h ASP 672 Ca 0.04 0.03 -0.26 0.00 0.02 0.00 0.00 57.03 56.86 2x7g h ASP 672 Cb 0.25 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.79 2x7g h ASP 672 CO -0.11 0.09 -1.16 0.15 -1.72 0.00 0.00 179.24 176.50 2x7g h PHE 673 N 0.25 0.60 0.16 4.55 3.57 -1.01 -3.37 116.94 121.69 2x7g h PHE 673 Ca 0.46 -0.39 -0.29 0.00 3.53 0.00 0.00 57.97 61.28 2x7g h PHE 673 Cb 1.40 -0.04 0.02 0.00 2.79 0.00 0.00 35.95 40.11 2x7g h PHE 673 CO -0.00 1.27 -1.30 -0.07 -2.23 0.00 0.00 178.31 175.97 2x7g h LEU 674 N 0.14 0.57 -0.33 0.59 3.38 0.01 -3.38 115.31 116.29 2x7g h LEU 674 Ca -0.13 -0.60 0.04 0.00 0.09 0.00 0.00 57.88 57.28 2x7g h LEU 674 Cb 1.85 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 42.37 2x7g h LEU 674 CO 0.20 1.47 0.10 0.40 0.09 0.00 0.00 178.44 180.69 2x7g h ILE 675 N 0.11 0.88 -0.70 1.22 1.08 -1.31 -0.90 117.51 117.89 2x7g h ILE 675 Ca -0.17 -0.08 0.12 0.00 -0.39 0.00 0.00 64.86 64.34 2x7g h ILE 675 Cb 2.02 0.63 -0.05 0.00 -3.07 0.00 0.00 36.82 36.35 2x7g h ILE 675 CO 0.23 0.04 0.47 -0.65 -0.69 0.00 0.00 178.15 177.55 2x7g h PRO 676 N 0.23 0.47 0.00 2.37 0.11 -1.77 -0.55 132.00 132.86 2x7g h PRO 676 Ca 0.15 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2x7g h PRO 676 Cb 0.14 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.15 2x7g h PRO 676 CO -0.17 0.31 0.00 0.52 -0.21 0.00 0.00 178.00 178.45 2x7g h MET 677 N 0.48 0.00 -0.30 1.05 2.86 -1.39 -1.73 114.93 115.90 2x7g h MET 677 Ca 0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 2x7g h MET 677 Cb 0.64 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.30 2x7g h MET 677 CO -0.11 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.14 2x7g n LEU 678 N -2.58 3.26 -4.54 1.22 4.77 -0.35 -3.70 117.00 115.08 2x7g n LEU 678 Ca 0.05 -2.40 -0.59 0.00 -0.03 0.00 0.00 56.01 53.04 2x7g n LEU 678 Cb 0.45 -0.35 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 2x7g n LEU 678 CO 0.31 0.70 0.69 -0.62 -1.33 0.00 0.00 177.39 177.14 2x7g n GLU 679 N 0.08 0.15 -0.04 3.23 -0.58 -0.41 -4.90 120.64 118.17 2x7g n GLU 679 Ca 0.15 0.05 -0.14 0.00 -0.42 0.00 0.00 57.16 56.80 2x7g n GLU 679 Cb 0.60 -1.57 -0.09 0.00 -0.57 0.00 0.00 31.44 29.81 2x7g n GLU 679 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 2x7g h MET 680 N 3.50 0.28 -6.56 3.49 2.86 -1.93 -3.41 114.93 113.16 2x7g h MET 680 Ca -0.50 -0.19 -0.57 0.00 -2.06 0.00 0.00 59.70 56.38 2x7g h MET 680 Cb 1.41 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 33.04 2x7g h MET 680 CO 0.71 0.80 1.05 0.08 1.06 0.00 0.00 176.91 180.61 2x7g s VAL 681 N -3.88 3.94 0.35 -2.22 1.01 -1.26 -4.72 120.40 113.63 2x7g s VAL 681 Ca -0.15 0.96 0.08 0.00 0.00 0.00 0.00 61.98 62.88 2x7g s VAL 681 Cb 0.04 -4.26 0.32 0.00 0.00 0.00 0.00 36.38 32.47 2x7g s VAL 681 CO 0.75 -0.79 1.88 -0.65 0.00 0.00 0.00 175.10 176.29 2x7g h PRO 682 N 10.50 0.70 0.00 2.72 0.11 -1.98 -0.94 132.00 143.11 2x7g h PRO 682 Ca -0.27 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 2x7g h PRO 682 Cb 1.10 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 2x7g h PRO 682 CO 1.09 0.46 -0.00 0.93 -0.21 0.00 0.00 178.00 180.27 2x7g h GLU 683 N 0.72 0.00 0.00 1.05 3.07 -1.95 -2.51 114.58 114.97 2x7g h GLU 683 Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 2x7g h GLU 683 Cb 0.62 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 2x7g h GLU 683 CO -0.19 0.00 -0.61 1.63 -1.40 0.00 0.00 179.01 178.45 2x7g n LYS 684 N -4.09 0.01 -2.26 2.33 5.02 -0.37 -4.96 118.16 113.84 2x7g n LYS 684 Ca -0.03 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.91 2x7g n LYS 684 Cb 0.09 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.59 2x7g n LYS 684 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2x7g s ARG 685 N -3.01 3.45 0.34 1.97 3.52 -0.95 -4.96 118.95 119.32 2x7g s ARG 685 Ca 0.10 1.65 -0.29 0.00 -0.13 0.00 0.00 55.73 57.06 2x7g s ARG 685 Cb 0.17 -2.09 -0.11 0.00 -1.56 0.00 0.00 34.95 31.36 2x7g s ARG 685 CO 0.74 -0.78 1.52 0.00 -0.81 0.00 0.00 175.30 175.96 2x7g s ALA 686 N -1.72 3.64 0.93 6.12 0.00 -0.65 -5.02 121.76 125.05 2x7g s ALA 686 Ca 0.71 1.56 -0.12 0.00 0.00 0.00 0.00 51.96 54.10 2x7g s ALA 686 Cb -0.25 -3.62 0.15 0.00 0.00 0.00 0.00 23.12 19.40 2x7g s ALA 686 CO 0.29 -1.01 1.14 -1.54 0.00 0.00 0.00 175.76 174.63 2x7g s SER 687 N 0.09 3.37 0.12 0.00 1.04 -1.26 -4.87 113.70 112.20 2x7g s SER 687 Ca 0.57 0.96 -0.18 0.00 0.48 0.00 0.00 55.95 57.78 2x7g s SER 687 Cb -0.47 -1.52 -0.03 0.00 0.10 0.00 0.00 66.02 64.10 2x7g s SER 687 CO 0.57 -2.64 1.70 0.00 0.98 0.00 0.00 173.24 173.85 2x7g h ALA 688 N -1.56 0.42 -0.85 5.32 0.00 -1.93 -2.17 119.26 118.49 2x7g h ALA 688 Ca -0.51 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.36 2x7g h ALA 688 Cb 1.33 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 2x7g h ALA 688 CO 0.61 -0.03 0.53 0.78 0.00 0.00 0.00 179.25 181.14 2x7g h GLY 689 N 0.39 1.26 0.99 0.00 0.00 -1.94 -1.92 103.07 101.85 2x7g h GLY 689 Ca 0.11 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2x7g h GLY 689 CO -0.01 0.29 0.11 0.83 0.00 0.00 0.00 176.54 177.75 2x7g h GLU 690 N 0.98 0.21 -0.69 4.80 5.08 -1.87 -2.50 114.58 120.60 2x7g h GLU 690 Ca 0.36 -0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.82 2x7g h GLU 690 Cb 0.12 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.24 2x7g h GLU 690 CO -0.16 0.14 0.26 0.00 -1.00 0.00 0.00 179.01 178.26 2x7g h LEU 692 N 0.43 0.00 -1.33 0.00 3.38 -0.93 -1.46 115.31 115.39 2x7g h LEU 692 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2x7g h LEU 692 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2x7g h LEU 692 CO -0.36 0.10 -0.02 0.54 0.09 0.00 0.00 178.44 178.79 2x7g n ARG 693 N -3.30 1.89 -2.12 1.13 1.74 -0.90 -4.79 116.66 110.31 2x7g n ARG 693 Ca -0.00 -1.33 -0.39 0.00 -0.77 0.00 0.00 57.85 55.36 2x7g n ARG 693 Cb 0.31 -1.47 -0.00 0.00 -1.02 0.00 0.00 32.46 30.27 2x7g n ARG 693 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2x7g s HIS 694 N -2.03 2.84 0.44 -1.55 2.46 -0.55 -4.91 115.29 111.98 2x7g s HIS 694 Ca 0.33 1.47 0.22 0.00 0.47 0.00 0.00 55.06 57.55 2x7g s HIS 694 Cb 0.20 -3.56 1.20 0.00 -0.13 0.00 0.00 32.58 30.29 2x7g s HIS 694 CO 0.33 -1.87 1.82 -1.35 -2.47 0.00 0.00 174.74 171.20 2x7g h PRO 695 N 2.44 0.29 0.00 2.88 0.11 -1.92 -2.09 132.00 133.70 2x7g h PRO 695 Ca -0.49 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 2x7g h PRO 695 Cb 1.25 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2x7g h PRO 695 CO 0.62 0.19 -0.13 2.35 -0.21 0.00 0.00 178.00 180.81 2x7g h TRP 696 N 0.30 0.00 -0.43 0.65 7.01 -1.88 -1.36 115.95 120.25 2x7g h TRP 696 Ca 0.53 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.53 2x7g h TRP 696 Cb 1.51 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.57 2x7g h TRP 696 CO -0.00 0.13 0.00 1.28 -2.79 0.00 0.00 178.44 177.06 2x7g n LEU 697 N -4.11 4.33 -0.27 0.65 4.77 -0.80 -4.42 117.00 117.15 2x7g n LEU 697 Ca -0.02 -2.72 0.03 0.00 -0.03 0.00 0.00 56.01 53.27 2x7g n LEU 697 Cb 0.21 -0.53 0.04 0.00 -2.33 0.00 0.00 43.42 40.81 2x7g n LEU 697 CO 0.34 0.71 0.36 0.59 -1.33 0.00 0.00 177.39 178.06 2x7g n ASN 698 N 0.24 0.85 0.00 -1.43 3.02 -0.56 -4.96 115.26 112.42 2x7g n ASN 698 Ca 0.22 -2.19 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 2x7g n ASN 698 Cb 0.89 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 2x7g n ASN 698 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44