#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m3r n ASP 2 N 0.00 -0.10 0.29 0.00 8.00 -1.26 0.16 116.55 123.63 3m3r n ASP 2 Ca 0.00 1.57 0.15 0.00 0.71 0.00 0.00 54.79 57.22 3m3r n ASP 2 Cb 0.00 -0.58 0.85 0.00 -0.02 0.00 0.00 41.12 41.37 3m3r n ASP 2 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3m3r h SER 3 N 0.00 0.00 0.84 -2.24 4.64 -1.90 0.55 113.55 115.45 3m3r h SER 3 Ca 0.57 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.87 3m3r h SER 3 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3m3r h SER 3 CO -0.87 0.06 -0.09 0.44 -0.87 0.00 0.00 176.83 175.50 3m3r h ASP 4 N 0.00 0.00 -0.23 4.97 5.19 0.12 -2.73 116.42 123.73 3m3r h ASP 4 Ca -0.00 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.31 3m3r h ASP 4 Cb 0.19 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.64 3m3r h ASP 4 CO 0.01 0.09 -0.15 2.30 -3.12 0.00 0.00 179.24 178.37 3m3r n ILE 5 N -3.27 2.39 -2.32 0.35 -5.35 0.12 -4.97 119.36 106.30 3m3r n ILE 5 Ca -0.00 -2.69 -0.20 0.00 -0.27 0.00 0.00 62.75 59.58 3m3r n ILE 5 Cb 0.33 -0.29 -0.02 0.00 -1.74 0.00 0.00 39.64 37.92 3m3r n ILE 5 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3m3r n ASN 6 N -1.07 -5.80 -4.48 7.28 4.13 -1.03 -5.01 115.26 109.28 3m3r n ASN 6 Ca 0.27 0.02 -0.31 0.00 1.68 0.00 0.00 54.58 56.24 3m3r n ASN 6 Cb 0.91 -4.84 -0.13 0.00 -1.54 0.00 0.00 39.78 34.19 3m3r n ASN 6 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3m3r s ILE 7 N -3.00 2.96 -0.04 2.41 1.01 -0.80 -5.00 121.20 118.74 3m3r s ILE 7 Ca 0.00 -1.01 -0.37 0.00 0.00 0.00 0.00 60.65 59.27 3m3r s ILE 7 Cb 0.00 -2.22 -0.15 0.00 0.01 0.00 0.00 42.46 40.09 3m3r s ILE 7 CO 0.00 0.42 1.58 0.29 0.00 0.00 0.00 174.94 177.23 3m3r n LYS 8 N 1.76 1.48 -1.64 2.79 4.01 -1.26 -3.42 118.16 121.88 3m3r n LYS 8 Ca -0.16 0.54 -0.51 0.00 -0.51 0.00 0.00 58.31 57.66 3m3r n LYS 8 Cb 0.52 -2.24 -0.06 0.00 -0.51 0.00 0.00 35.03 32.74 3m3r n LYS 8 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 3m3r n THR 9 N 3.68 0.12 -0.94 -0.18 -1.04 -1.26 -1.04 114.28 113.62 3m3r n THR 9 Ca 0.21 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 3m3r n THR 9 Cb 0.20 -1.16 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 3m3r n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3m3r n GLY 10 N 3.23 0.96 0.37 3.41 0.00 -1.26 -4.92 105.19 106.97 3m3r n GLY 10 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.30 3m3r n GLY 10 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3m3r h THR 11 N 0.00 0.93 -0.13 2.61 2.02 -1.44 -2.46 112.91 114.44 3m3r h THR 11 Ca 0.00 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.86 3m3r h THR 11 Cb 0.00 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.33 3m3r h THR 11 CO 0.00 0.17 0.00 0.35 0.37 0.00 0.00 175.52 176.41 3m3r n THR 12 N -4.57 0.16 -2.50 3.16 -2.24 -1.26 -4.95 114.28 102.06 3m3r n THR 12 Ca 0.17 -0.40 -0.34 0.00 -2.27 0.00 0.00 64.05 61.21 3m3r n THR 12 Cb 0.35 0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 69.24 3m3r n THR 12 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3m3r s ASP 13 N -1.76 6.35 0.23 3.42 1.01 -0.93 -5.04 116.67 119.95 3m3r s ASP 13 Ca 0.34 1.87 -0.09 0.00 0.71 0.00 0.00 52.55 55.39 3m3r s ASP 13 Cb 0.20 -2.55 -0.07 0.00 1.01 0.00 0.00 42.92 41.51 3m3r s ASP 13 CO 0.30 -0.77 0.53 -0.63 0.21 0.00 0.00 175.17 174.81 3m3r s ILE 14 N -2.09 4.96 0.00 0.77 1.01 -1.26 -4.64 121.20 119.95 3m3r s ILE 14 Ca 0.66 0.39 0.00 0.00 0.00 0.00 0.00 60.65 61.70 3m3r s ILE 14 Cb -0.15 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.69 3m3r s ILE 14 CO 0.22 -0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.68 3m3r n GLY 15 N -0.19 1.48 3.73 6.18 0.00 -1.26 -5.11 105.19 110.01 3m3r n GLY 15 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3m3r n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m3r s SER 16 N -1.53 4.41 -1.43 1.61 1.04 -1.26 -2.96 113.70 113.58 3m3r s SER 16 Ca 0.00 2.35 -0.14 0.00 0.48 0.00 0.00 55.95 58.64 3m3r s SER 16 Cb 0.00 -2.59 0.11 0.00 0.10 0.00 0.00 66.02 63.64 3m3r s SER 16 CO 0.00 -2.12 0.61 -3.20 0.98 0.00 0.00 173.24 169.51 3m3r n ASN 17 N -2.51 -3.41 -4.06 7.02 4.05 -1.26 -4.93 115.26 110.16 3m3r n ASN 17 Ca 0.13 -0.65 -0.23 0.00 0.45 0.00 0.00 54.58 54.29 3m3r n ASN 17 Cb 0.50 -2.81 -0.16 0.00 1.23 0.00 0.00 39.78 38.54 3m3r n ASN 17 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 3m3r s THR 18 N -3.05 1.06 -0.38 -0.44 2.01 -1.15 -4.94 115.64 108.75 3m3r s THR 18 Ca 0.55 -0.52 -0.25 0.00 0.31 0.00 0.00 61.69 61.78 3m3r s THR 18 Cb -0.30 -0.92 0.02 0.00 0.01 0.00 0.00 72.50 71.30 3m3r s THR 18 CO 0.68 0.32 0.90 -0.89 -0.69 0.00 0.00 174.62 174.93 3m3r s THR 19 N 0.08 4.60 -0.08 -0.82 2.01 -1.26 -5.02 115.64 115.15 3m3r s THR 19 Ca -0.03 1.09 -0.16 0.00 0.31 0.00 0.00 61.69 62.90 3m3r s THR 19 Cb -0.09 -4.32 -0.05 0.00 0.01 0.00 0.00 72.50 68.05 3m3r s THR 19 CO 0.01 -0.55 0.40 -0.69 -0.69 0.00 0.00 174.62 173.11 3m3r s VAL 20 N 3.43 5.16 -0.20 3.82 1.01 -1.26 -4.69 120.40 127.67 3m3r s VAL 20 Ca 0.37 0.80 -0.04 0.00 0.00 0.00 0.00 61.98 63.11 3m3r s VAL 20 Cb -0.12 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 3m3r s VAL 20 CO 0.19 0.45 -0.03 -0.54 0.00 0.00 0.00 175.10 175.16 3m3r s LYS 21 N -0.11 3.51 0.43 2.72 -0.14 -1.04 -4.96 119.74 120.15 3m3r s LYS 21 Ca 0.23 -0.58 0.06 0.00 -1.36 0.00 0.00 55.97 54.32 3m3r s LYS 21 Cb -0.15 -2.99 -0.05 0.00 -1.68 0.00 0.00 37.83 32.96 3m3r s LYS 21 CO 0.10 -0.03 0.14 0.95 -0.76 0.00 0.00 175.35 175.75 3m3r s THR 22 N 1.06 2.05 0.01 2.17 -4.23 -1.26 -0.47 115.64 114.97 3m3r s THR 22 Ca 0.01 -1.78 -0.28 0.00 -1.18 0.00 0.00 61.69 58.46 3m3r s THR 22 Cb -0.15 -2.83 0.10 0.00 1.34 0.00 0.00 72.50 70.96 3m3r s THR 22 CO 0.01 0.00 0.91 -0.83 -0.54 0.00 0.00 174.62 174.16 3m3r s GLY 23 N -3.89 -0.43 -0.00 3.99 0.00 -0.90 -4.97 107.32 101.12 3m3r s GLY 23 Ca 0.35 0.90 0.04 0.00 0.00 0.00 0.00 44.72 46.01 3m3r s GLY 23 CO 0.19 0.29 -0.13 -0.35 0.00 0.00 0.00 173.10 173.10 3m3r s ASP 24 N -2.55 1.53 -0.09 1.64 2.15 -1.26 -1.46 116.67 116.63 3m3r s ASP 24 Ca 0.06 -0.26 -0.03 0.00 0.43 0.00 0.00 52.55 52.75 3m3r s ASP 24 Cb -0.01 -0.16 0.04 0.00 -0.30 0.00 0.00 42.92 42.49 3m3r s ASP 24 CO -0.07 0.14 0.09 -0.76 -0.17 0.00 0.00 175.17 174.40 3m3r s LEU 25 N -0.40 0.15 -0.07 -1.34 2.01 -0.46 -4.99 118.68 113.58 3m3r s LEU 25 Ca 0.05 -0.08 0.03 0.00 0.01 0.00 0.00 54.13 54.14 3m3r s LEU 25 Cb -0.05 -0.08 -0.02 0.00 0.01 0.00 0.00 46.19 46.04 3m3r s LEU 25 CO -0.00 -0.28 -0.16 -0.69 1.01 0.00 0.00 176.35 176.23 3m3r s VAL 26 N 2.19 2.88 -0.01 -1.59 1.01 -1.26 -0.97 120.40 122.64 3m3r s VAL 26 Ca 0.04 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.24 3m3r s VAL 26 Cb -0.13 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.13 3m3r s VAL 26 CO -0.05 0.57 0.03 -0.89 0.00 0.00 0.00 175.10 174.76 3m3r s THR 27 N -0.41 -0.03 -0.22 3.92 2.01 -0.21 -5.02 115.64 115.68 3m3r s THR 27 Ca 0.05 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.15 3m3r s THR 27 Cb -0.12 -0.06 0.03 0.00 0.01 0.00 0.00 72.50 72.36 3m3r s THR 27 CO 0.02 0.04 -0.13 -0.47 -0.69 0.00 0.00 174.62 173.39 3m3r s TYR 28 N 0.53 2.98 -0.64 4.92 6.14 -1.26 -0.90 117.35 129.13 3m3r s TYR 28 Ca -0.04 -1.73 -0.21 0.00 0.64 0.00 0.00 57.07 55.73 3m3r s TYR 28 Cb -0.06 -1.97 0.08 0.00 0.42 0.00 0.00 41.96 40.42 3m3r s TYR 28 CO -0.02 -0.79 0.88 0.34 0.64 0.00 0.00 175.55 176.61 3m3r s ASP 29 N 1.27 6.18 0.11 4.32 3.68 -0.12 -4.93 116.67 127.18 3m3r s ASP 29 Ca 0.01 -1.12 -0.22 0.00 2.13 0.00 0.00 52.55 53.34 3m3r s ASP 29 Cb -0.16 -2.38 -0.10 0.00 -1.45 0.00 0.00 42.92 38.83 3m3r s ASP 29 CO -0.08 -1.33 1.72 0.11 0.13 0.00 0.00 175.17 175.71 3m3r h LYS 30 N 9.44 -0.05 -0.84 4.34 1.57 -1.97 0.77 116.57 129.83 3m3r h LYS 30 Ca -0.29 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.48 3m3r h LYS 30 Cb 1.08 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.36 3m3r h LYS 30 CO 1.15 -0.03 0.46 1.49 -0.57 0.00 0.00 179.45 181.96 3m3r h GLU 31 N -0.05 1.17 -0.01 3.15 4.81 -1.98 -2.74 114.58 118.92 3m3r h GLU 31 Ca 0.04 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3m3r h GLU 31 Cb 0.10 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.25 3m3r h GLU 31 CO -0.08 0.85 -0.14 0.09 -0.73 0.00 0.00 179.01 178.99 3m3r n ASN 32 N -4.34 1.50 -3.56 1.04 3.02 -1.14 -4.97 115.26 106.81 3m3r n ASN 32 Ca 0.09 -1.31 -0.20 0.00 -0.03 0.00 0.00 54.58 53.14 3m3r n ASN 32 Cb 0.10 0.10 0.06 0.00 -0.61 0.00 0.00 39.78 39.42 3m3r n ASN 32 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m3r n GLY 33 N 1.28 -0.41 2.89 7.41 0.00 0.21 -4.79 105.19 111.78 3m3r n GLY 33 Ca 0.15 0.17 -0.26 0.00 0.00 0.00 0.00 46.02 46.08 3m3r n GLY 33 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3m3r s MET 34 N -5.61 1.33 -0.43 1.61 -1.94 -0.89 -1.82 119.30 111.55 3m3r s MET 34 Ca 0.06 -0.19 -0.17 0.00 -1.71 0.00 0.00 55.69 53.68 3m3r s MET 34 Cb -0.01 -1.43 0.03 0.00 2.01 0.00 0.00 34.83 35.43 3m3r s MET 34 CO 0.78 -0.25 0.41 -1.58 -0.01 0.00 0.00 175.02 174.36 3m3r s HIS 35 N 1.66 3.19 -0.21 -0.03 2.46 -0.45 -0.94 115.29 120.97 3m3r s HIS 35 Ca 0.03 -0.50 -0.04 0.00 0.47 0.00 0.00 55.06 55.01 3m3r s HIS 35 Cb -0.13 -2.88 -0.02 0.00 -0.13 0.00 0.00 32.58 29.43 3m3r s HIS 35 CO -0.07 -0.70 -0.02 0.15 -2.47 0.00 0.00 174.74 171.63 3m3r s LYS 36 N 1.99 3.49 -0.04 2.88 1.02 -0.07 -0.37 119.74 128.64 3m3r s LYS 36 Ca 0.09 -0.57 0.04 0.00 0.02 0.00 0.00 55.97 55.55 3m3r s LYS 36 Cb -0.18 -3.05 -0.01 0.00 -0.52 0.00 0.00 37.83 34.07 3m3r s LYS 36 CO 0.12 -0.10 -0.17 0.21 -0.92 0.00 0.00 175.35 174.49 3m3r s LYS 37 N 1.27 1.69 -0.18 1.68 2.36 -1.23 -1.04 119.74 124.29 3m3r s LYS 37 Ca 0.03 -0.60 0.01 0.00 -2.55 0.00 0.00 55.97 52.86 3m3r s LYS 37 Cb -0.14 -1.50 0.02 0.00 -1.05 0.00 0.00 37.83 35.15 3m3r s LYS 37 CO -0.00 0.27 -0.19 0.08 1.55 0.00 0.00 175.35 177.06 3m3r s VAL 38 N -0.05 2.16 -0.23 4.02 1.01 -0.15 -0.63 120.40 126.52 3m3r s VAL 38 Ca -0.02 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 3m3r s VAL 38 Cb -0.10 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 3m3r s VAL 38 CO 0.02 0.53 0.00 0.12 0.00 0.00 0.00 175.10 175.77 3m3r s PHE 39 N 1.25 3.01 0.37 5.22 5.36 -0.07 -1.36 117.98 131.77 3m3r s PHE 39 Ca 0.04 -0.72 0.09 0.00 -0.96 0.00 0.00 56.93 55.38 3m3r s PHE 39 Cb -0.13 -2.16 -0.07 0.00 -0.34 0.00 0.00 43.02 40.32 3m3r s PHE 39 CO -0.11 -0.46 -0.06 1.52 -1.46 0.00 0.00 175.22 174.65 3m3r s TYR 40 N 1.51 2.44 -0.23 10.12 1.13 -0.54 0.13 117.35 131.91 3m3r s TYR 40 Ca 0.06 -0.55 -0.09 0.00 -1.41 0.00 0.00 57.07 55.07 3m3r s TYR 40 Cb -0.15 -1.51 0.10 0.00 -1.10 0.00 0.00 41.96 39.30 3m3r s TYR 40 CO -0.00 0.54 0.52 -1.12 -2.51 0.00 0.00 175.55 172.98 3m3r s SER 41 N -3.64 -0.64 -0.13 -0.18 0.01 -0.19 -2.11 113.70 106.81 3m3r s SER 41 Ca 0.33 1.21 -0.16 0.00 1.31 0.00 0.00 55.95 58.64 3m3r s SER 41 Cb 0.05 1.55 -0.04 0.00 0.21 0.00 0.00 66.02 67.78 3m3r s SER 41 CO 0.17 -0.22 0.41 -0.36 0.41 0.00 0.00 173.24 173.64 3m3r s PHE 42 N 2.40 3.49 -0.30 2.43 0.40 0.38 -0.92 117.98 125.86 3m3r s PHE 42 Ca -0.05 0.78 0.01 0.00 -0.60 0.00 0.00 56.93 57.06 3m3r s PHE 42 Cb -0.11 -2.47 0.09 0.00 0.51 0.00 0.00 43.02 41.04 3m3r s PHE 42 CO -0.15 0.20 0.05 0.42 0.70 0.00 0.00 175.22 176.43 3m3r s ILE 43 N 0.56 1.38 -0.99 0.64 1.01 -0.32 -2.49 121.20 121.00 3m3r s ILE 43 Ca 0.22 -1.60 -0.04 0.00 0.00 0.00 0.00 60.65 59.24 3m3r s ILE 43 Cb -0.14 -1.96 0.27 0.00 0.01 0.00 0.00 42.46 40.64 3m3r s ILE 43 CO 0.08 -0.53 1.08 -0.67 0.00 0.00 0.00 174.94 174.90 3m3r n ASP 44 N 4.65 5.19 -4.62 3.58 4.64 -1.26 -1.73 116.55 127.00 3m3r n ASP 44 Ca -0.02 -3.23 -0.43 0.00 -1.38 0.00 0.00 54.79 49.73 3m3r n ASP 44 Cb 0.43 -1.17 -0.02 0.00 -1.04 0.00 0.00 41.12 39.32 3m3r n ASP 44 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3m3r s ASP 45 N -0.50 6.67 0.17 1.67 3.68 -1.26 -4.88 116.67 122.22 3m3r s ASP 45 Ca 0.31 0.85 0.14 0.00 2.13 0.00 0.00 52.55 55.98 3m3r s ASP 45 Cb -0.02 -2.54 0.71 0.00 -1.45 0.00 0.00 42.92 39.61 3m3r s ASP 45 CO -0.03 -1.15 1.44 0.29 0.13 0.00 0.00 175.17 175.84 3m3r n LYS 46 N 7.52 0.09 -0.32 4.34 4.76 -1.26 -0.80 118.16 132.48 3m3r n LYS 46 Ca 0.13 0.51 0.10 0.00 -2.87 0.00 0.00 58.31 56.19 3m3r n LYS 46 Cb 0.48 -1.75 0.28 0.00 -1.84 0.00 0.00 35.03 32.20 3m3r n LYS 46 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3m3r n ASN 47 N -1.93 3.44 -4.58 4.39 3.02 -1.26 -4.85 115.26 113.49 3m3r n ASN 47 Ca 0.00 -2.00 -0.33 0.00 -0.03 0.00 0.00 54.58 52.23 3m3r n ASN 47 Cb 0.07 -0.42 -0.11 0.00 -0.61 0.00 0.00 39.78 38.71 3m3r n ASN 47 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3m3r s HIS 48 N -1.16 2.89 -2.00 3.10 2.46 0.02 -5.00 115.29 115.59 3m3r s HIS 48 Ca 0.43 -0.03 0.17 0.00 0.47 0.00 0.00 55.06 56.10 3m3r s HIS 48 Cb 0.22 -1.64 1.01 0.00 -0.13 0.00 0.00 32.58 32.05 3m3r s HIS 48 CO 0.30 0.35 1.43 0.27 -2.47 0.00 0.00 174.74 174.62 3m3r n ASN 49 N 1.79 0.00 -3.63 9.88 6.94 -1.26 -4.79 115.26 124.19 3m3r n ASN 49 Ca -0.16 -0.68 -0.12 0.00 -0.02 0.00 0.00 54.58 53.60 3m3r n ASN 49 Cb 0.53 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.89 3m3r n ASN 49 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3m3r s LYS 50 N -2.00 1.00 0.41 -3.83 1.02 -1.26 -4.69 119.74 110.39 3m3r s LYS 50 Ca 0.25 -0.44 -0.23 0.00 0.02 0.00 0.00 55.97 55.58 3m3r s LYS 50 Cb 0.12 0.45 -0.10 0.00 -0.52 0.00 0.00 37.83 37.78 3m3r s LYS 50 CO 0.20 -0.37 0.98 0.15 -0.92 0.00 0.00 175.35 175.39 3m3r s LYS 51 N -2.90 4.23 0.09 1.68 1.02 -0.46 -4.62 119.74 118.79 3m3r s LYS 51 Ca -0.03 1.27 0.07 0.00 0.02 0.00 0.00 55.97 57.31 3m3r s LYS 51 Cb -0.00 -2.37 -0.03 0.00 -0.52 0.00 0.00 37.83 34.91 3m3r s LYS 51 CO -0.05 -0.04 -0.19 -0.51 -0.92 0.00 0.00 175.35 173.63 3m3r s LEU 52 N -2.88 2.29 -0.06 3.17 1.43 -0.71 -1.36 118.68 120.56 3m3r s LEU 52 Ca 0.59 -0.67 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 3m3r s LEU 52 Cb -0.15 -0.79 0.02 0.00 0.03 0.00 0.00 46.19 45.30 3m3r s LEU 52 CO 0.19 0.03 -0.06 -0.22 0.23 0.00 0.00 176.35 176.51 3m3r s LEU 53 N -1.85 1.31 -0.21 1.79 2.96 -0.16 -1.17 118.68 121.34 3m3r s LEU 53 Ca 0.04 -0.19 -0.05 0.00 -0.22 0.00 0.00 54.13 53.72 3m3r s LEU 53 Cb -0.10 -0.60 -0.02 0.00 0.50 0.00 0.00 46.19 45.97 3m3r s LEU 53 CO 0.04 -0.06 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.31 3m3r s VAL 54 N 1.08 3.80 -0.22 1.68 1.01 -0.10 -0.56 120.40 127.09 3m3r s VAL 54 Ca -0.08 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 3m3r s VAL 54 Cb -0.14 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 3m3r s VAL 54 CO -0.01 0.42 -0.05 -0.63 0.00 0.00 0.00 175.10 174.83 3m3r s ILE 55 N 1.16 3.28 -0.29 2.22 1.01 0.66 -1.03 121.20 128.22 3m3r s ILE 55 Ca 0.03 -0.52 -0.06 0.00 0.00 0.00 0.00 60.65 60.09 3m3r s ILE 55 Cb -0.14 -2.49 0.02 0.00 0.01 0.00 0.00 42.46 39.85 3m3r s ILE 55 CO 0.01 0.43 0.06 -0.13 0.00 0.00 0.00 174.94 175.31 3m3r s ARG 56 N 1.44 2.98 -0.35 2.79 0.52 0.12 -0.70 118.95 125.75 3m3r s ARG 56 Ca 0.05 -0.92 -0.20 0.00 -0.52 0.00 0.00 55.73 54.14 3m3r s ARG 56 Cb -0.14 -3.32 0.00 0.00 0.52 0.00 0.00 34.95 32.01 3m3r s ARG 56 CO -0.04 -0.47 0.64 0.95 0.02 0.00 0.00 175.30 176.41 3m3r s THR 57 N 1.46 4.89 0.00 0.02 -4.23 -0.42 -0.89 115.64 116.47 3m3r s THR 57 Ca 0.01 0.62 0.00 0.00 -1.18 0.00 0.00 61.69 61.15 3m3r s THR 57 Cb -0.17 -4.07 0.00 0.00 1.34 0.00 0.00 72.50 69.59 3m3r s THR 57 CO 0.01 -0.30 0.00 0.29 -0.54 0.00 0.00 174.62 174.08 3m3r n LYS 58 N 6.04 3.05 0.00 3.99 5.02 0.19 -2.40 118.16 134.05 3m3r n LYS 58 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3m3r n LYS 58 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 3m3r n LYS 58 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3m3r n GLY 59 N 4.21 -1.78 3.23 0.72 0.00 -1.25 -3.48 105.19 106.85 3m3r n GLY 59 Ca 0.00 -1.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.14 3m3r n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3m3r s THR 60 N 0.00 -0.09 -0.31 2.61 2.01 0.51 -3.10 115.64 117.26 3m3r s THR 60 Ca 0.00 0.11 -0.13 0.00 0.31 0.00 0.00 61.69 61.98 3m3r s THR 60 Cb 0.00 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.91 3m3r s THR 60 CO 0.00 0.05 0.29 -0.63 -0.69 0.00 0.00 174.62 173.63 3m3r s ILE 61 N 1.52 5.24 0.61 1.82 1.01 -0.06 -1.34 121.20 130.00 3m3r s ILE 61 Ca -0.09 0.09 -0.19 0.00 0.00 0.00 0.00 60.65 60.46 3m3r s ILE 61 Cb -0.09 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 3m3r s ILE 61 CO -0.12 0.06 1.32 0.00 0.00 0.00 0.00 174.94 176.20 3m3r s ALA 62 N 1.88 2.54 -0.06 9.38 0.00 -0.76 -1.35 121.76 133.40 3m3r s ALA 62 Ca 0.09 1.27 -0.21 0.00 0.00 0.00 0.00 51.96 53.12 3m3r s ALA 62 Cb -0.17 -3.56 -0.16 0.00 0.00 0.00 0.00 23.12 19.24 3m3r s ALA 62 CO 0.11 -1.52 0.83 0.78 0.00 0.00 0.00 175.76 175.96 3m3r h GLY 63 N 0.88 -0.20 -0.86 0.00 0.00 -0.83 -3.44 103.07 98.62 3m3r h GLY 63 Ca -0.51 0.07 -0.14 0.00 0.00 0.00 0.00 47.33 46.76 3m3r h GLY 63 CO 0.55 -0.07 -0.17 -1.06 0.00 0.00 0.00 176.54 175.78 3m3r n GLN 64 N -4.90 -0.54 -1.61 4.80 6.02 -0.96 -4.22 117.38 115.96 3m3r n GLN 64 Ca -0.07 0.42 -0.39 0.00 -0.01 0.00 0.00 57.00 56.94 3m3r n GLN 64 Cb 0.27 -4.28 -0.03 0.00 1.02 0.00 0.00 30.24 27.21 3m3r n GLN 64 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3m3r s TYR 65 N -2.33 1.15 -0.01 1.08 6.14 -1.03 -4.67 117.35 117.68 3m3r s TYR 65 Ca 0.00 1.17 -0.02 0.00 0.64 0.00 0.00 57.07 58.86 3m3r s TYR 65 Cb 0.00 -3.73 0.00 0.00 0.42 0.00 0.00 41.96 38.65 3m3r s TYR 65 CO 0.00 -3.04 0.05 0.50 0.64 0.00 0.00 175.55 173.69 3m3r s ARG 66 N 7.51 0.13 -0.48 4.97 6.06 -0.43 -4.93 118.95 131.78 3m3r s ARG 66 Ca 0.97 -0.06 -0.29 0.00 -2.50 0.00 0.00 55.73 53.85 3m3r s ARG 66 Cb -0.22 0.05 0.03 0.00 0.06 0.00 0.00 34.95 34.87 3m3r s ARG 66 CO 0.29 -0.02 1.18 0.08 -2.50 0.00 0.00 175.30 174.33 3m3r s VAL 67 N -0.28 4.14 -0.12 7.11 1.01 -1.26 0.40 120.40 131.40 3m3r s VAL 67 Ca -0.03 1.14 0.17 0.00 0.00 0.00 0.00 61.98 63.25 3m3r s VAL 67 Cb -0.02 -4.57 -0.21 0.00 0.00 0.00 0.00 36.38 31.57 3m3r s VAL 67 CO 0.00 -1.03 0.53 0.00 0.00 0.00 0.00 175.10 174.60 3m3r n TYR 68 N 8.07 0.61 -4.12 5.22 4.11 -0.68 -4.96 117.16 125.42 3m3r n TYR 68 Ca 0.12 0.21 -0.09 0.00 -0.00 0.00 0.00 57.90 58.15 3m3r n TYR 68 Cb 0.49 -1.03 -0.10 0.00 -0.00 0.00 0.00 39.34 38.69 3m3r n TYR 68 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 3m3r s SER 69 N -5.66 0.37 -0.29 9.48 1.04 -1.23 -5.00 113.70 112.41 3m3r s SER 69 Ca -0.06 -1.11 -0.04 0.00 0.48 0.00 0.00 55.95 55.21 3m3r s SER 69 Cb 0.08 0.26 0.19 0.00 0.10 0.00 0.00 66.02 66.65 3m3r s SER 69 CO 0.83 -0.68 0.85 -0.70 0.98 0.00 0.00 173.24 174.52 3m3r s GLU 70 N -3.99 0.32 -0.55 4.02 2.12 -1.26 -1.50 118.70 117.86 3m3r s GLU 70 Ca 0.17 0.33 -0.02 0.00 0.36 0.00 0.00 54.97 55.81 3m3r s GLU 70 Cb 0.08 0.15 0.14 0.00 0.26 0.00 0.00 34.13 34.76 3m3r s GLU 70 CO -0.03 -0.58 0.35 -1.83 -0.54 0.00 0.00 175.26 172.62 3m3r s GLU 71 N 2.90 2.32 0.00 4.30 -1.05 -1.15 -4.96 118.70 121.06 3m3r s GLU 71 Ca 0.19 -2.32 0.00 0.00 -0.15 0.00 0.00 54.97 52.69 3m3r s GLU 71 Cb -0.06 -3.64 0.00 0.00 -0.44 0.00 0.00 34.13 29.99 3m3r s GLU 71 CO -0.24 -1.13 0.00 0.41 0.95 0.00 0.00 175.26 175.25 3m3r n GLY 72 N 3.79 2.25 0.01 -3.83 0.00 -1.26 -4.17 105.19 101.97 3m3r n GLY 72 Ca 0.05 -1.80 0.07 0.00 0.00 0.00 0.00 46.02 44.34 3m3r n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m3r n ALA 73 N 1.89 2.59 0.28 4.61 0.00 -1.26 -2.78 120.51 125.84 3m3r n ALA 73 Ca 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.39 3m3r n ALA 73 Cb 0.00 -1.24 0.05 0.00 0.00 0.00 0.00 19.45 18.26 3m3r n ALA 73 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3m3r n ASN 74 N -0.72 1.84 -3.80 0.00 5.03 -1.26 -0.26 115.26 116.09 3m3r n ASN 74 Ca 0.11 -1.44 -0.13 0.00 0.87 0.00 0.00 54.58 53.99 3m3r n ASN 74 Cb 0.05 -0.03 -0.13 0.00 -1.02 0.00 0.00 39.78 38.66 3m3r n ASN 74 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 3m3r s LYS 75 N -0.74 0.14 0.14 3.52 2.20 -1.12 -0.39 119.74 123.50 3m3r s LYS 75 Ca 0.11 0.25 -0.24 0.00 -0.36 0.00 0.00 55.97 55.73 3m3r s LYS 75 Cb 0.07 0.01 0.07 0.00 -1.51 0.00 0.00 37.83 36.47 3m3r s LYS 75 CO 0.11 -0.06 0.61 0.45 -0.36 0.00 0.00 175.35 176.10 3m3r s SER 76 N 0.39 -0.57 0.06 1.43 0.15 -0.82 -2.93 113.70 111.40 3m3r s SER 76 Ca -0.03 0.04 0.06 0.00 0.70 0.00 0.00 55.95 56.73 3m3r s SER 76 Cb -0.04 0.59 -0.03 0.00 -1.71 0.00 0.00 66.02 64.84 3m3r s SER 76 CO -0.02 -0.94 -0.17 -0.83 1.20 0.00 0.00 173.24 172.48 3m3r s GLY 77 N -2.65 0.98 -0.06 9.45 0.00 -0.56 -1.97 107.32 112.50 3m3r s GLY 77 Ca 0.00 -0.99 0.03 0.00 0.00 0.00 0.00 44.72 43.76 3m3r s GLY 77 CO -0.12 -0.96 -0.14 -2.27 0.00 0.00 0.00 173.10 169.61 3m3r s LEU 78 N -1.36 1.75 -0.10 0.66 2.96 -0.18 -1.69 118.68 120.70 3m3r s LEU 78 Ca 0.04 -0.33 -0.10 0.00 -0.22 0.00 0.00 54.13 53.52 3m3r s LEU 78 Cb -0.09 -0.89 -0.05 0.00 0.50 0.00 0.00 46.19 45.67 3m3r s LEU 78 CO 0.02 0.07 0.21 0.00 -1.32 0.00 0.00 176.35 175.33 3m3r s ALA 79 N 0.49 3.80 -0.03 5.97 0.00 0.16 -1.27 121.76 130.89 3m3r s ALA 79 Ca -0.12 -0.53 -0.11 0.00 0.00 0.00 0.00 51.96 51.19 3m3r s ALA 79 Cb -0.15 -2.12 0.02 0.00 0.00 0.00 0.00 23.12 20.87 3m3r s ALA 79 CO 0.04 0.50 0.25 1.67 0.00 0.00 0.00 175.76 178.22 3m3r s TRP 80 N -0.79 -0.13 -0.39 0.00 1.48 -1.01 -1.31 118.94 116.78 3m3r s TRP 80 Ca 0.16 0.23 -0.29 0.00 -1.06 0.00 0.00 56.10 55.15 3m3r s TRP 80 Cb -0.13 0.05 0.01 0.00 -1.16 0.00 0.00 33.47 32.24 3m3r s TRP 80 CO 0.06 -0.31 1.33 -1.25 -4.06 0.00 0.00 176.95 172.72 3m3r s PRO 81 N -1.04 3.70 0.02 3.25 0.04 -1.26 -0.05 135.00 139.66 3m3r s PRO 81 Ca -0.11 0.95 0.23 0.00 0.04 0.00 0.00 61.00 62.11 3m3r s PRO 81 Cb -0.05 -3.96 0.17 0.00 0.04 0.00 0.00 34.50 30.70 3m3r s PRO 81 CO 0.03 -1.41 1.16 -1.13 0.04 0.00 0.00 177.00 175.68 3m3r n SER 82 N 8.30 0.65 -3.57 6.66 3.41 0.63 -4.80 113.62 124.90 3m3r n SER 82 Ca 0.15 -0.37 -0.15 0.00 -0.26 0.00 0.00 58.87 58.24 3m3r n SER 82 Cb 0.48 0.61 -0.06 0.00 -0.26 0.00 0.00 64.21 64.97 3m3r n SER 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3m3r s ALA 83 N -3.08 -1.82 0.01 7.33 0.00 -1.02 -0.82 121.76 122.36 3m3r s ALA 83 Ca 0.07 1.60 0.06 0.00 0.00 0.00 0.00 51.96 53.70 3m3r s ALA 83 Cb 0.16 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 3m3r s ALA 83 CO 0.77 -0.34 -0.19 -0.06 0.00 0.00 0.00 175.76 175.95 3m3r s PHE 84 N -0.63 1.66 0.04 0.00 0.40 -0.80 -0.70 117.98 117.95 3m3r s PHE 84 Ca -0.05 -0.34 -0.02 0.00 -0.60 0.00 0.00 56.93 55.92 3m3r s PHE 84 Cb -0.02 -1.03 -0.02 0.00 0.51 0.00 0.00 43.02 42.45 3m3r s PHE 84 CO 0.05 0.02 0.01 0.15 0.70 0.00 0.00 175.22 176.14 3m3r s LYS 85 N -0.76 0.50 -0.08 0.44 1.02 0.29 -0.27 119.74 120.89 3m3r s LYS 85 Ca 0.07 -0.87 -0.03 0.00 0.02 0.00 0.00 55.97 55.15 3m3r s LYS 85 Cb -0.08 0.18 0.04 0.00 -0.52 0.00 0.00 37.83 37.46 3m3r s LYS 85 CO 0.00 -0.10 0.15 0.08 -0.92 0.00 0.00 175.35 174.56 3m3r s VAL 86 N -2.69 -0.17 0.01 3.17 1.01 -0.92 -0.51 120.40 120.29 3m3r s VAL 86 Ca -0.04 0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.24 3m3r s VAL 86 Cb -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 36.10 3m3r s VAL 86 CO -0.05 0.12 -0.06 -1.10 0.00 0.00 0.00 175.10 174.01 3m3r s GLN 87 N 1.84 0.43 0.06 2.72 -0.21 -0.39 -1.16 119.66 122.96 3m3r s GLN 87 Ca -0.02 -0.31 0.08 0.00 0.02 0.00 0.00 55.36 55.13 3m3r s GLN 87 Cb -0.12 -0.37 -0.03 0.00 1.00 0.00 0.00 33.01 33.49 3m3r s GLN 87 CO -0.06 0.09 -0.22 -0.51 -2.12 0.00 0.00 175.29 172.47 3m3r s LEU 88 N -0.45 2.21 -0.20 2.90 1.02 -0.10 -0.82 118.68 123.24 3m3r s LEU 88 Ca -0.01 -0.59 -0.10 0.00 0.02 0.00 0.00 54.13 53.45 3m3r s LEU 88 Cb -0.04 -1.03 0.07 0.00 0.02 0.00 0.00 46.19 45.21 3m3r s LEU 88 CO -0.00 0.16 0.47 -1.58 0.02 0.00 0.00 176.35 175.42 3m3r s GLN 89 N -1.42 0.45 -0.15 1.70 0.74 -0.40 -1.88 119.66 118.70 3m3r s GLN 89 Ca 0.08 0.91 -0.17 0.00 0.05 0.00 0.00 55.36 56.24 3m3r s GLN 89 Cb -0.09 0.06 -0.04 0.00 1.10 0.00 0.00 33.01 34.04 3m3r s GLN 89 CO 0.03 -0.17 0.43 -0.51 -0.55 0.00 0.00 175.29 174.52 3m3r s LEU 90 N 1.60 4.24 0.60 3.68 1.43 0.22 -1.82 118.68 128.64 3m3r s LEU 90 Ca -0.09 0.69 -0.18 0.00 -1.03 0.00 0.00 54.13 53.52 3m3r s LEU 90 Cb -0.08 -2.60 -0.05 0.00 0.03 0.00 0.00 46.19 43.49 3m3r s LEU 90 CO -0.14 -0.01 0.91 -2.65 0.23 0.00 0.00 176.35 174.69 3m3r n PRO 91 N 3.87 0.83 -0.36 1.29 -0.02 -1.26 -4.83 135.00 134.53 3m3r n PRO 91 Ca -0.08 0.32 -0.05 0.00 -2.02 0.00 0.00 63.50 61.67 3m3r n PRO 91 Cb 0.51 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 3m3r n PRO 91 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3m3r n ASP 92 N -0.66 -0.77 -0.20 2.55 9.92 -1.26 -1.64 116.55 124.49 3m3r n ASP 92 Ca 0.14 1.58 0.04 0.00 -0.53 0.00 0.00 54.79 56.02 3m3r n ASP 92 Cb 0.47 -0.28 0.31 0.00 -0.64 0.00 0.00 41.12 40.98 3m3r n ASP 92 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3m3r h ASN 93 N 0.00 0.75 -0.82 -2.24 -1.07 -2.02 -3.45 115.58 106.73 3m3r h ASN 93 Ca 0.23 -0.00 -0.62 0.00 0.07 0.00 0.00 56.30 55.97 3m3r h ASN 93 Cb 0.45 -0.17 0.05 0.00 -2.07 0.00 0.00 38.32 36.59 3m3r h ASN 93 CO -0.87 0.50 -0.07 -0.62 0.07 0.00 0.00 177.43 176.44 3m3r n GLU 94 N -4.47 0.00 0.07 4.14 -0.58 -0.66 -4.89 120.64 114.26 3m3r n GLU 94 Ca 0.10 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.87 3m3r n GLU 94 Cb 0.16 -1.13 -0.04 0.00 -0.57 0.00 0.00 31.44 29.86 3m3r n GLU 94 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 3m3r h VAL 95 N 2.05 0.48 -4.21 2.62 3.04 -1.89 -3.47 116.25 114.87 3m3r h VAL 95 Ca -0.37 -1.86 -0.53 0.00 -1.01 0.00 0.00 66.70 62.93 3m3r h VAL 95 Cb 1.18 2.03 0.16 0.00 -2.01 0.00 0.00 31.29 32.64 3m3r h VAL 95 CO 0.52 0.28 0.34 0.00 -1.01 0.00 0.00 177.57 177.70 3m3r s ALA 96 N -3.00 2.02 0.06 3.17 0.00 -1.26 -4.86 121.76 117.88 3m3r s ALA 96 Ca -0.01 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.69 3m3r s ALA 96 Cb 0.08 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 3m3r s ALA 96 CO 0.79 -2.01 -0.07 -0.65 0.00 0.00 0.00 175.76 173.82 3m3r s GLN 97 N -4.20 0.62 -0.23 0.00 -0.21 -0.31 -4.95 119.66 110.39 3m3r s GLN 97 Ca 0.71 -0.96 -0.29 0.00 0.02 0.00 0.00 55.36 54.83 3m3r s GLN 97 Cb -0.26 -0.21 -0.00 0.00 1.00 0.00 0.00 33.01 33.55 3m3r s GLN 97 CO 0.49 0.01 1.20 0.42 -2.12 0.00 0.00 175.29 175.29 3m3r s ILE 98 N -2.26 4.37 -0.14 1.08 -1.09 -0.54 -0.42 121.20 122.20 3m3r s ILE 98 Ca -0.02 1.63 0.05 0.00 -2.23 0.00 0.00 60.65 60.08 3m3r s ILE 98 Cb -0.04 -4.16 -0.12 0.00 -1.58 0.00 0.00 42.46 36.56 3m3r s ILE 98 CO -0.02 -0.26 -0.07 -0.24 -1.23 0.00 0.00 174.94 173.12 3m3r n SER 99 N 6.79 2.45 -3.20 3.58 2.88 0.10 -4.63 113.62 121.59 3m3r n SER 99 Ca 0.13 -0.05 -0.11 0.00 -1.33 0.00 0.00 58.87 57.51 3m3r n SER 99 Cb 0.46 0.16 -0.01 0.00 -0.75 0.00 0.00 64.21 64.06 3m3r n SER 99 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3m3r s ASP 100 N -5.15 0.39 -0.16 -3.46 3.68 -1.15 -4.99 116.67 105.82 3m3r s ASP 100 Ca -0.15 -1.25 -0.32 0.00 2.13 0.00 0.00 52.55 52.96 3m3r s ASP 100 Cb 0.05 0.74 0.14 0.00 -1.45 0.00 0.00 42.92 42.40 3m3r s ASP 100 CO 0.42 -1.46 1.11 -0.72 0.13 0.00 0.00 175.17 174.66 3m3r s TYR 101 N -2.86 -0.22 -0.23 -5.34 1.13 -1.26 -1.52 117.35 107.05 3m3r s TYR 101 Ca 0.22 0.25 -0.25 0.00 -1.41 0.00 0.00 57.07 55.88 3m3r s TYR 101 Cb -0.03 0.50 0.07 0.00 -1.10 0.00 0.00 41.96 41.40 3m3r s TYR 101 CO 0.15 -0.28 0.68 -0.47 -2.51 0.00 0.00 175.55 173.12 3m3r s TYR 102 N -2.00 -0.74 1.07 -3.49 6.14 -0.58 -4.70 117.35 113.06 3m3r s TYR 102 Ca 0.06 1.73 -0.15 0.00 0.64 0.00 0.00 57.07 59.34 3m3r s TYR 102 Cb -0.01 0.28 0.22 0.00 0.42 0.00 0.00 41.96 42.87 3m3r s TYR 102 CO -0.04 -0.40 1.12 -1.25 0.64 0.00 0.00 175.55 175.62 3m3r s PRO 103 N 0.13 -0.17 0.18 4.97 0.04 -1.26 -0.95 135.00 137.93 3m3r s PRO 103 Ca -0.02 0.17 0.02 0.00 0.04 0.00 0.00 61.00 61.21 3m3r s PRO 103 Cb -0.04 -1.70 -0.01 0.00 0.04 0.00 0.00 34.50 32.79 3m3r s PRO 103 CO 0.02 -3.06 0.06 0.54 0.04 0.00 0.00 177.00 174.61 3m3r n ARG 104 N -4.34 0.83 -2.82 4.56 1.74 -1.26 -4.78 116.66 110.59 3m3r n ARG 104 Ca 0.09 -1.51 -0.42 0.00 -0.77 0.00 0.00 57.85 55.25 3m3r n ARG 104 Cb 0.59 0.79 -0.03 0.00 -1.02 0.00 0.00 32.46 32.78 3m3r n ARG 104 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3m3r s ASN 105 N -2.10 7.11 0.28 0.55 0.01 -1.26 -4.75 114.94 114.78 3m3r s ASN 105 Ca 0.08 1.36 0.03 0.00 -0.71 0.00 0.00 52.86 53.63 3m3r s ASN 105 Cb 0.00 -2.50 -0.03 0.00 0.41 0.00 0.00 41.25 39.13 3m3r s ASN 105 CO 0.06 -0.37 0.43 -0.94 -1.51 0.00 0.00 177.10 174.78 3m3r s SER 106 N 1.07 6.31 -0.25 -1.22 1.04 -1.26 -5.06 113.70 114.34 3m3r s SER 106 Ca 0.43 0.23 -0.25 0.00 0.48 0.00 0.00 55.95 56.84 3m3r s SER 106 Cb -0.18 -1.93 -0.00 0.00 0.10 0.00 0.00 66.02 64.01 3m3r s SER 106 CO 0.17 -0.15 0.88 -0.63 0.98 0.00 0.00 173.24 174.48 3m3r s ILE 107 N -2.10 4.79 0.62 -1.02 1.01 -1.26 -5.04 121.20 118.20 3m3r s ILE 107 Ca 0.36 1.63 -0.12 0.00 0.00 0.00 0.00 60.65 62.53 3m3r s ILE 107 Cb -0.09 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 3m3r s ILE 107 CO 0.32 -0.12 1.03 -1.81 0.00 0.00 0.00 174.94 174.35 3m3r s ASP 108 N 1.35 6.08 0.24 3.58 1.01 -1.26 -5.08 116.67 122.58 3m3r s ASP 108 Ca 0.37 1.52 0.01 0.00 0.71 0.00 0.00 52.55 55.15 3m3r s ASP 108 Cb -0.15 -2.49 -0.05 0.00 1.01 0.00 0.00 42.92 41.24 3m3r s ASP 108 CO 0.08 -0.97 0.09 0.42 0.21 0.00 0.00 175.17 175.00 3m3r s THR 109 N -3.01 0.50 0.05 -1.27 -4.23 -1.26 -5.17 115.64 101.25 3m3r s THR 109 Ca 0.57 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.05 3m3r s THR 109 Cb -0.12 -2.55 -0.02 0.00 1.34 0.00 0.00 72.50 71.15 3m3r s THR 109 CO 0.49 -0.07 0.03 -1.59 -0.54 0.00 0.00 174.62 172.95 3m3r s LYS 110 N -4.03 0.59 -0.07 3.99 -2.85 -1.26 -4.62 119.74 111.48 3m3r s LYS 110 Ca 0.36 -0.97 -0.02 0.00 -1.00 0.00 0.00 55.97 54.34 3m3r s LYS 110 Cb 0.07 0.22 -0.04 0.00 -2.06 0.00 0.00 37.83 36.03 3m3r s LYS 110 CO 0.12 -0.13 0.05 -2.00 0.10 0.00 0.00 175.35 173.49 3m3r s GLU 111 N -3.20 3.09 -0.05 1.78 2.12 0.34 -4.94 118.70 117.84 3m3r s GLU 111 Ca 0.00 -0.38 0.03 0.00 0.36 0.00 0.00 54.97 54.99 3m3r s GLU 111 Cb 0.03 -2.89 0.00 0.00 0.26 0.00 0.00 34.13 31.53 3m3r s GLU 111 CO -0.07 0.70 -0.14 -0.47 -0.54 0.00 0.00 175.26 174.74 3m3r s TYR 112 N -1.00 1.46 -0.12 5.30 6.14 -1.26 -0.52 117.35 127.36 3m3r s TYR 112 Ca 0.16 -0.46 0.02 0.00 0.64 0.00 0.00 57.07 57.43 3m3r s TYR 112 Cb -0.12 -1.03 -0.01 0.00 0.42 0.00 0.00 41.96 41.23 3m3r s TYR 112 CO 0.06 -0.20 -0.19 -0.06 0.64 0.00 0.00 175.55 175.80 3m3r s PHE 113 N 0.31 2.67 -0.15 4.97 0.40 0.12 -4.95 117.98 121.35 3m3r s PHE 113 Ca -0.08 -0.90 0.02 0.00 -0.60 0.00 0.00 56.93 55.37 3m3r s PHE 113 Cb -0.13 -1.77 0.01 0.00 0.51 0.00 0.00 43.02 41.64 3m3r s PHE 113 CO 0.02 -0.35 -0.21 -1.12 0.70 0.00 0.00 175.22 174.27 3m3r s SER 114 N 0.38 3.07 -0.05 1.36 0.01 -1.26 -1.12 113.70 116.09 3m3r s SER 114 Ca -0.15 -0.61 -0.01 0.00 1.31 0.00 0.00 55.95 56.50 3m3r s SER 114 Cb -0.17 -1.43 0.03 0.00 0.21 0.00 0.00 66.02 64.66 3m3r s SER 114 CO 0.07 0.04 0.00 -0.89 0.41 0.00 0.00 173.24 172.87 3m3r s THR 115 N 1.01 0.29 -0.07 1.44 2.01 0.15 -5.02 115.64 115.45 3m3r s THR 115 Ca -0.02 0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.12 3m3r s THR 115 Cb -0.15 -0.42 -0.02 0.00 0.01 0.00 0.00 72.50 71.93 3m3r s THR 115 CO -0.06 0.21 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.71 3m3r s LEU 116 N 1.55 2.65 -0.08 4.42 2.96 -1.26 -1.70 118.68 127.22 3m3r s LEU 116 Ca -0.02 -0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 53.62 3m3r s LEU 116 Cb -0.13 -1.54 0.03 0.00 0.50 0.00 0.00 46.19 45.05 3m3r s LEU 116 CO -0.03 0.30 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.39 3m3r s THR 117 N -0.46 0.52 -0.06 3.68 2.01 -0.53 -5.00 115.64 115.80 3m3r s THR 117 Ca 0.06 0.03 -0.01 0.00 0.31 0.00 0.00 61.69 62.07 3m3r s THR 117 Cb -0.12 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 71.71 3m3r s THR 117 CO 0.02 0.28 0.02 -0.31 -0.69 0.00 0.00 174.62 173.94 3m3r s TYR 118 N 1.89 3.19 0.03 4.92 1.51 -1.26 -2.33 117.35 125.30 3m3r s TYR 118 Ca 0.05 0.19 -0.27 0.00 -1.01 0.00 0.00 57.07 56.03 3m3r s TYR 118 Cb -0.12 -1.77 0.07 0.00 -0.11 0.00 0.00 41.96 40.03 3m3r s TYR 118 CO -0.06 0.50 0.64 0.20 -1.11 0.00 0.00 175.55 175.72 3m3r s GLY 119 N -1.16 -0.58 0.05 0.71 0.00 -1.03 -5.04 107.32 100.28 3m3r s GLY 119 Ca 0.16 0.97 0.02 0.00 0.00 0.00 0.00 44.72 45.87 3m3r s GLY 119 CO 0.06 0.63 -0.07 -1.36 0.00 0.00 0.00 173.10 172.36 3m3r s PHE 120 N -2.17 0.67 -0.21 1.90 0.08 -1.26 -2.04 117.98 114.94 3m3r s PHE 120 Ca -0.06 -0.65 -0.22 0.00 0.12 0.00 0.00 56.93 56.11 3m3r s PHE 120 Cb -0.00 -0.41 0.06 0.00 -0.57 0.00 0.00 43.02 42.10 3m3r s PHE 120 CO 0.01 -0.14 0.62 0.54 -0.10 0.00 0.00 175.22 176.15 3m3r s ASN 121 N -2.04 -0.63 0.39 1.36 4.22 -0.37 -5.00 114.94 112.86 3m3r s ASN 121 Ca -0.04 1.15 0.08 0.00 -2.14 0.00 0.00 52.86 51.91 3m3r s ASN 121 Cb -0.05 1.15 -0.05 0.00 1.28 0.00 0.00 41.25 43.58 3m3r s ASN 121 CO -0.02 -0.27 0.14 -0.83 -2.04 0.00 0.00 177.10 174.08 3m3r s GLY 122 N 0.10 2.25 -0.30 0.45 0.00 -1.26 -1.10 107.32 107.47 3m3r s GLY 122 Ca -0.02 -2.06 -0.05 0.00 0.00 0.00 0.00 44.72 42.59 3m3r s GLY 122 CO 0.02 -1.90 0.79 0.21 0.00 0.00 0.00 173.10 172.22 3m3r s ASN 123 N -3.85 -1.04 -0.17 1.64 2.47 0.18 -4.93 114.94 109.25 3m3r s ASN 123 Ca 0.39 0.47 -0.09 0.00 0.42 0.00 0.00 52.86 54.04 3m3r s ASN 123 Cb 0.03 1.80 -0.05 0.00 -1.45 0.00 0.00 41.25 41.58 3m3r s ASN 123 CO 0.22 -0.19 0.15 -0.69 -3.72 0.00 0.00 177.10 172.86 3m3r s VAL 124 N 2.89 5.43 0.00 -5.21 1.01 -1.26 0.69 120.40 123.95 3m3r s VAL 124 Ca 0.13 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.34 3m3r s VAL 124 Cb -0.11 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3m3r s VAL 124 CO -0.19 0.49 0.00 0.41 0.00 0.00 0.00 175.10 175.81 3m3r n THR 125 N 3.04 0.00 -3.95 3.92 -1.04 0.20 -4.95 114.28 111.51 3m3r n THR 125 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 3m3r n THR 125 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 3m3r n THR 125 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3m3r n GLY 126 N 2.90 -1.10 3.55 3.41 0.00 -1.26 -2.05 105.19 110.64 3m3r n GLY 126 Ca 0.00 -1.17 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 3m3r n GLY 126 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3m3r s ASP 127 N -4.00 -0.44 0.65 1.61 1.47 -1.04 -4.85 116.67 110.08 3m3r s ASP 127 Ca 0.00 0.37 0.10 0.00 1.18 0.00 0.00 52.55 54.21 3m3r s ASP 127 Cb 0.00 0.38 0.56 0.00 -0.34 0.00 0.00 42.92 43.51 3m3r s ASP 127 CO 0.00 -0.47 1.31 -2.24 0.68 0.00 0.00 175.17 174.44 3m3r h ASP 128 N 2.52 0.00 -0.49 2.11 -0.00 -2.03 -0.66 116.42 117.88 3m3r h ASP 128 Ca -0.21 0.00 -0.31 0.00 -0.00 0.00 0.00 57.03 56.50 3m3r h ASP 128 Cb 1.18 0.00 -0.14 0.00 -0.00 0.00 0.00 39.33 40.37 3m3r h ASP 128 CO 0.33 0.00 0.40 0.35 -0.00 0.00 0.00 179.24 180.32 3m3r n THR 129 N -2.61 2.64 0.00 1.15 -2.24 -1.26 -4.88 114.28 107.08 3m3r n THR 129 Ca -0.01 -1.51 0.00 0.00 -2.27 0.00 0.00 64.05 60.26 3m3r n THR 129 Cb 0.78 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 3m3r n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m3r n GLY 130 N 0.19 1.47 3.59 3.38 0.00 -0.25 -4.98 105.19 108.59 3m3r n GLY 130 Ca 0.30 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.99 3m3r n GLY 130 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3m3r n LYS 131 N -1.21 0.05 -3.48 1.61 4.81 -1.23 -4.82 118.16 113.88 3m3r n LYS 131 Ca 0.00 0.08 -0.20 0.00 -0.87 0.00 0.00 58.31 57.33 3m3r n LYS 131 Cb 0.00 -2.20 -0.12 0.00 0.02 0.00 0.00 35.03 32.72 3m3r n LYS 131 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3m3r s ILE 132 N -2.19 -0.30 0.44 3.15 -1.09 -1.26 -2.49 121.20 117.46 3m3r s ILE 132 Ca 0.68 -0.31 0.00 0.00 -2.23 0.00 0.00 60.65 58.80 3m3r s ILE 132 Cb -0.28 -0.80 -0.01 0.00 -1.58 0.00 0.00 42.46 39.79 3m3r s ILE 132 CO 0.56 -0.35 0.65 -0.83 -1.23 0.00 0.00 174.94 173.74 3m3r s GLY 133 N 2.30 1.54 0.12 6.18 0.00 -0.87 -4.85 107.32 111.74 3m3r s GLY 133 Ca 0.08 -1.04 -0.00 0.00 0.00 0.00 0.00 44.72 43.76 3m3r s GLY 133 CO -0.21 -0.89 0.01 -0.32 0.00 0.00 0.00 173.10 171.69 3m3r s GLY 134 N -4.19 0.89 -0.28 0.20 0.00 -1.26 0.63 107.32 103.30 3m3r s GLY 134 Ca 0.47 -1.42 -0.17 0.00 0.00 0.00 0.00 44.72 43.60 3m3r s GLY 134 CO 0.38 -1.40 0.78 -2.27 0.00 0.00 0.00 173.10 170.59 3m3r s LEU 135 N -3.05 -0.80 -0.18 0.66 2.96 0.22 -4.91 118.68 113.58 3m3r s LEU 135 Ca 0.19 1.30 -0.05 0.00 -0.22 0.00 0.00 54.13 55.35 3m3r s LEU 135 Cb 0.07 2.20 0.07 0.00 0.50 0.00 0.00 46.19 49.03 3m3r s LEU 135 CO -0.01 -0.21 0.11 -0.63 -1.32 0.00 0.00 176.35 174.29 3m3r s ILE 136 N 1.40 -0.13 0.21 6.68 1.01 -1.26 0.51 121.20 129.63 3m3r s ILE 136 Ca -0.08 -0.19 0.09 0.00 0.00 0.00 0.00 60.65 60.46 3m3r s ILE 136 Cb -0.05 -0.61 -0.05 0.00 0.01 0.00 0.00 42.46 41.76 3m3r s ILE 136 CO -0.16 -0.30 -0.16 -0.83 0.00 0.00 0.00 174.94 173.49 3m3r s GLY 137 N 2.17 1.50 0.27 6.18 0.00 -0.26 -5.01 107.32 112.17 3m3r s GLY 137 Ca 0.03 -1.66 0.03 0.00 0.00 0.00 0.00 44.72 43.12 3m3r s GLY 137 CO -0.11 -1.75 0.05 0.00 0.00 0.00 0.00 173.10 171.29 3m3r s ALA 138 N -2.69 1.97 -0.02 3.20 0.00 -1.26 -1.24 121.76 121.72 3m3r s ALA 138 Ca 0.22 -1.90 -0.29 0.00 0.00 0.00 0.00 51.96 49.99 3m3r s ALA 138 Cb -0.03 0.72 0.08 0.00 0.00 0.00 0.00 23.12 23.90 3m3r s ALA 138 CO 0.08 -0.34 0.72 0.54 0.00 0.00 0.00 175.76 176.77 3m3r s ASN 139 N -3.37 -0.58 0.01 0.00 6.03 -0.87 -4.99 114.94 111.17 3m3r s ASN 139 Ca 0.34 0.48 0.00 0.00 -1.03 0.00 0.00 52.86 52.66 3m3r s ASN 139 Cb 0.07 0.51 -0.01 0.00 -3.03 0.00 0.00 41.25 38.79 3m3r s ASN 139 CO 0.13 -0.65 -0.02 -0.69 -2.03 0.00 0.00 177.10 173.84 3m3r s VAL 140 N -1.82 0.08 -0.13 3.54 1.01 -1.26 -2.46 120.40 119.36 3m3r s VAL 140 Ca -0.06 -0.50 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 3m3r s VAL 140 Cb -0.00 -0.16 0.05 0.00 0.00 0.00 0.00 36.38 36.26 3m3r s VAL 140 CO 0.03 -0.27 0.31 -0.94 0.00 0.00 0.00 175.10 174.23 3m3r s SER 141 N -0.80 -0.36 -0.16 3.32 1.04 -0.98 -5.00 113.70 110.76 3m3r s SER 141 Ca -0.09 0.66 0.01 0.00 0.48 0.00 0.00 55.95 57.01 3m3r s SER 141 Cb -0.05 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.66 3m3r s SER 141 CO -0.01 -0.16 -0.15 -0.63 0.98 0.00 0.00 173.24 173.28 3m3r s ILE 142 N 1.08 1.68 0.04 -1.02 1.09 -1.26 -1.45 121.20 121.36 3m3r s ILE 142 Ca -0.08 -0.76 0.01 0.00 -1.10 0.00 0.00 60.65 58.72 3m3r s ILE 142 Cb -0.08 -1.60 -0.03 0.00 -1.06 0.00 0.00 42.46 39.70 3m3r s ILE 142 CO -0.08 0.42 -0.05 -0.83 -0.10 0.00 0.00 174.94 174.30 3m3r s GLY 143 N 1.43 0.43 0.05 6.18 0.00 -0.69 -5.03 107.32 109.68 3m3r s GLY 143 Ca 0.04 -0.83 0.01 0.00 0.00 0.00 0.00 44.72 43.94 3m3r s GLY 143 CO -0.11 -0.91 -0.06 -2.38 0.00 0.00 0.00 173.10 169.65 3m3r s HIS 144 N -2.06 0.57 -0.07 1.90 -3.43 -1.25 0.30 115.29 111.24 3m3r s HIS 144 Ca -0.07 -0.63 0.01 0.00 -0.80 0.00 0.00 55.06 53.57 3m3r s HIS 144 Cb -0.05 -0.36 0.02 0.00 -1.43 0.00 0.00 32.58 30.76 3m3r s HIS 144 CO -0.02 -0.16 -0.10 0.99 -2.00 0.00 0.00 174.74 173.45 3m3r s THR 145 N -2.02 0.97 -0.13 -5.38 2.01 -0.28 -4.94 115.64 105.87 3m3r s THR 145 Ca -0.07 -0.36 -0.09 0.00 0.31 0.00 0.00 61.69 61.49 3m3r s THR 145 Cb -0.06 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 3m3r s THR 145 CO -0.02 0.33 0.17 -0.22 -0.69 0.00 0.00 174.62 174.19 3m3r s LEU 146 N 0.92 4.35 -0.03 4.42 2.96 -1.26 0.13 118.68 130.16 3m3r s LEU 146 Ca -0.10 0.46 -0.00 0.00 -0.22 0.00 0.00 54.13 54.27 3m3r s LEU 146 Cb -0.15 -2.13 0.03 0.00 0.50 0.00 0.00 46.19 44.44 3m3r s LEU 146 CO 0.01 0.34 0.02 -0.75 -1.32 0.00 0.00 176.35 174.65 3m3r s LYS 147 N -0.66 0.17 0.07 1.98 2.20 0.32 -4.96 119.74 118.86 3m3r s LYS 147 Ca 0.14 0.18 -0.17 0.00 -0.36 0.00 0.00 55.97 55.77 3m3r s LYS 147 Cb -0.12 -0.50 0.03 0.00 -1.51 0.00 0.00 37.83 35.73 3m3r s LYS 147 CO 0.04 -0.21 0.39 1.52 -0.36 0.00 0.00 175.35 176.72 3m3r s TYR 148 N 1.42 -0.21 0.09 4.03 1.13 -1.26 0.13 117.35 122.68 3m3r s TYR 148 Ca -0.04 0.06 -0.14 0.00 -1.41 0.00 0.00 57.07 55.54 3m3r s TYR 148 Cb -0.13 0.21 -0.06 0.00 -1.10 0.00 0.00 41.96 40.87 3m3r s TYR 148 CO -0.03 -0.60 0.49 0.08 -2.51 0.00 0.00 175.55 172.98 3m3r s VAL 149 N -2.96 4.94 -0.23 -3.49 1.01 -1.26 -5.07 120.40 113.34 3m3r s VAL 149 Ca -0.02 0.78 -0.03 0.00 0.00 0.00 0.00 61.98 62.71 3m3r s VAL 149 Cb 0.00 -3.73 0.08 0.00 0.00 0.00 0.00 36.38 32.73 3m3r s VAL 149 CO -0.06 0.36 0.07 -1.10 0.00 0.00 0.00 175.10 174.37 3m3r s GLN 150 N -1.68 0.52 0.66 2.72 -0.21 -1.26 -5.04 119.66 115.37 3m3r s GLN 150 Ca 0.33 -0.54 -0.15 0.00 0.02 0.00 0.00 55.36 55.02 3m3r s GLN 150 Cb -0.16 -1.90 -0.00 0.00 1.00 0.00 0.00 33.01 31.96 3m3r s GLN 150 CO 0.18 -0.78 1.11 -1.25 -2.12 0.00 0.00 175.29 172.43 3m3r s PRO 151 N 1.88 2.80 0.32 2.91 0.04 -1.26 -4.93 135.00 136.77 3m3r s PRO 151 Ca 0.03 1.41 0.04 0.00 0.04 0.00 0.00 61.00 62.52 3m3r s PRO 151 Cb -0.17 -1.95 0.56 0.00 0.04 0.00 0.00 34.50 32.98 3m3r s PRO 151 CO -0.17 -1.25 1.84 -0.44 0.04 0.00 0.00 177.00 177.02 3m3r h ASP 152 N 0.07 0.48 -4.54 6.66 3.45 -1.96 -3.38 116.42 117.20 3m3r h ASP 152 Ca -0.47 -0.11 -0.34 0.00 0.43 0.00 0.00 57.03 56.54 3m3r h ASP 152 Cb 1.25 -0.13 -0.23 0.00 -0.56 0.00 0.00 39.33 39.67 3m3r h ASP 152 CO 0.54 0.60 -0.76 -0.36 -1.57 0.00 0.00 179.24 177.69 3m3r s PHE 153 N -4.85 0.87 -0.04 4.55 0.40 -1.26 -0.56 117.98 117.09 3m3r s PHE 153 Ca -0.07 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.83 3m3r s PHE 153 Cb 0.15 -0.51 -0.03 0.00 0.51 0.00 0.00 43.02 43.14 3m3r s PHE 153 CO 0.77 -0.02 -0.01 0.15 0.70 0.00 0.00 175.22 176.81 3m3r s LYS 154 N -1.41 2.85 -0.34 0.44 1.02 0.23 -4.89 119.74 117.66 3m3r s LYS 154 Ca -0.05 -0.53 -0.10 0.00 0.02 0.00 0.00 55.97 55.31 3m3r s LYS 154 Cb -0.09 -2.70 0.01 0.00 -0.52 0.00 0.00 37.83 34.53 3m3r s LYS 154 CO 0.01 0.66 0.16 0.99 -0.92 0.00 0.00 175.35 176.25 3m3r s THR 155 N -0.98 4.45 -0.04 2.17 2.01 -1.26 -1.04 115.64 120.95 3m3r s THR 155 Ca 0.16 -0.69 0.06 0.00 0.31 0.00 0.00 61.69 61.53 3m3r s THR 155 Cb -0.11 -3.38 -0.02 0.00 0.01 0.00 0.00 72.50 69.00 3m3r s THR 155 CO 0.06 -0.07 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.08 3m3r s ILE 156 N 1.56 2.49 -0.39 1.82 1.01 0.23 -4.88 121.20 123.04 3m3r s ILE 156 Ca 0.03 -0.94 -0.19 0.00 0.00 0.00 0.00 60.65 59.55 3m3r s ILE 156 Cb -0.18 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.38 3m3r s ILE 156 CO 0.06 0.58 0.57 -0.22 0.00 0.00 0.00 174.94 175.93 3m3r s LEU 157 N -0.59 4.45 0.36 2.97 2.96 -1.26 -0.85 118.68 126.71 3m3r s LEU 157 Ca 0.09 -0.19 -0.27 0.00 -0.22 0.00 0.00 54.13 53.54 3m3r s LEU 157 Cb -0.11 -2.64 -0.09 0.00 0.50 0.00 0.00 46.19 43.85 3m3r s LEU 157 CO 0.00 -0.61 1.17 -1.61 -1.32 0.00 0.00 176.35 173.98 3m3r s GLU 158 N 2.56 4.24 -0.43 1.98 2.02 -0.04 -4.82 118.70 124.21 3m3r s GLU 158 Ca 0.20 1.88 -0.41 0.00 0.02 0.00 0.00 54.97 56.66 3m3r s GLU 158 Cb -0.15 -2.85 -0.16 0.00 0.10 0.00 0.00 34.13 31.07 3m3r s GLU 158 CO 0.16 -0.17 2.10 0.43 0.02 0.00 0.00 175.26 177.80 3m3r n SER 159 N 0.44 1.36 -4.97 -0.19 7.64 -1.26 -4.31 113.62 112.33 3m3r n SER 159 Ca 0.02 0.64 -0.21 0.00 1.01 0.00 0.00 58.87 60.33 3m3r n SER 159 Cb 0.45 -1.04 0.04 0.00 -1.01 0.00 0.00 64.21 62.65 3m3r n SER 159 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3m3r s PRO 160 N 5.73 2.51 0.00 1.43 0.04 -1.26 -4.87 135.00 138.58 3m3r s PRO 160 Ca 1.14 -0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.40 3m3r s PRO 160 Cb -1.25 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 30.82 3m3r s PRO 160 CO 0.61 -0.75 0.00 0.25 0.04 0.00 0.00 177.00 177.15 3m3r n THR 161 N -2.37 0.00 1.58 1.26 -2.24 -0.03 -4.99 114.28 107.48 3m3r n THR 161 Ca 0.08 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.98 3m3r n THR 161 Cb 0.60 0.00 0.52 0.00 -2.10 0.00 0.00 70.33 69.35 3m3r n THR 161 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3m3r n ASP 162 N -1.70 1.00 0.00 3.42 5.75 -1.26 -3.86 116.55 119.90 3m3r n ASP 162 Ca 0.00 -1.50 0.00 0.00 -0.01 0.00 0.00 54.79 53.28 3m3r n ASP 162 Cb 0.00 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 3m3r n ASP 162 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3m3r n LYS 163 N -0.16 1.27 -4.02 0.11 4.76 -1.26 -1.47 118.16 117.39 3m3r n LYS 163 Ca 0.17 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.53 3m3r n LYS 163 Cb 0.24 -0.93 -0.10 0.00 -1.84 0.00 0.00 35.03 32.40 3m3r n LYS 163 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 3m3r s LYS 164 N -1.72 0.48 -0.08 1.97 -2.85 -1.25 0.71 119.74 116.99 3m3r s LYS 164 Ca 0.00 -0.88 -0.22 0.00 -1.00 0.00 0.00 55.97 53.87 3m3r s LYS 164 Cb 0.00 0.17 0.05 0.00 -2.06 0.00 0.00 37.83 35.99 3m3r s LYS 164 CO 0.00 -0.09 0.51 0.54 0.10 0.00 0.00 175.35 176.41 3m3r s VAL 165 N -2.65 0.02 0.22 1.79 0.11 -0.79 -0.85 120.40 118.25 3m3r s VAL 165 Ca -0.05 -0.17 -0.21 0.00 -2.93 0.00 0.00 61.98 58.63 3m3r s VAL 165 Cb -0.01 -0.79 0.04 0.00 -1.53 0.00 0.00 36.38 34.08 3m3r s VAL 165 CO -0.05 -0.09 0.63 -0.83 -3.33 0.00 0.00 175.10 171.43 3m3r s GLY 166 N -0.84 -0.25 0.02 6.54 0.00 -1.26 -0.92 107.32 110.60 3m3r s GLY 166 Ca -0.09 -0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.61 3m3r s GLY 166 CO 0.05 -0.06 -0.06 -0.98 0.00 0.00 0.00 173.10 172.06 3m3r s TRP 167 N -3.86 0.51 -0.06 1.90 0.51 -0.31 -0.86 118.94 116.78 3m3r s TRP 167 Ca 0.08 -0.26 0.02 0.00 -2.12 0.00 0.00 56.10 53.81 3m3r s TRP 167 Cb -0.03 -0.32 0.01 0.00 -0.81 0.00 0.00 33.47 32.32 3m3r s TRP 167 CO -0.02 -0.04 -0.11 -1.59 -0.51 0.00 0.00 176.95 174.68 3m3r s LYS 168 N -0.74 1.48 -0.54 4.98 -2.85 -0.03 -2.16 119.74 119.88 3m3r s LYS 168 Ca -0.04 -0.35 -0.08 0.00 -1.00 0.00 0.00 55.97 54.51 3m3r s LYS 168 Cb -0.05 -1.26 0.14 0.00 -2.06 0.00 0.00 37.83 34.60 3m3r s LYS 168 CO 0.00 0.02 0.40 0.08 0.10 0.00 0.00 175.35 175.95 3m3r s VAL 169 N 0.66 4.17 -0.06 1.79 1.01 0.63 -0.60 120.40 128.00 3m3r s VAL 169 Ca -0.13 -2.15 -0.07 0.00 0.00 0.00 0.00 61.98 59.63 3m3r s VAL 169 Cb -0.15 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 3m3r s VAL 169 CO 0.03 -0.82 0.20 0.27 0.00 0.00 0.00 175.10 174.78 3m3r s ILE 170 N 0.89 5.41 0.33 2.22 -4.36 -0.21 -1.90 121.20 123.58 3m3r s ILE 170 Ca 0.10 0.17 -0.29 0.00 -0.26 0.00 0.00 60.65 60.37 3m3r s ILE 170 Cb -0.23 -3.49 -0.11 0.00 1.25 0.00 0.00 42.46 39.88 3m3r s ILE 170 CO -0.03 0.50 1.54 0.33 0.24 0.00 0.00 174.94 177.52 3m3r n PHE 171 N 1.56 2.87 0.00 1.37 -0.00 0.00 -0.60 117.46 122.67 3m3r n PHE 171 Ca -0.16 0.34 0.00 0.00 -0.00 0.00 0.00 57.45 57.64 3m3r n PHE 171 Cb 0.54 -2.56 0.00 0.00 -0.00 0.00 0.00 39.48 37.46 3m3r n PHE 171 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 3m3r n ASN 172 N 1.45 0.00 -3.75 -2.13 5.15 0.28 -4.81 115.26 111.44 3m3r n ASN 172 Ca 0.06 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 53.97 3m3r n ASN 172 Cb 0.37 -0.18 -0.02 0.00 -0.53 0.00 0.00 39.78 39.43 3m3r n ASN 172 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3m3r s ASN 173 N -3.28 -0.28 -0.12 1.20 2.20 -1.20 -4.65 114.94 108.81 3m3r s ASN 173 Ca 0.00 -0.44 -0.18 0.00 -0.94 0.00 0.00 52.86 51.30 3m3r s ASN 173 Cb 0.00 0.63 0.04 0.00 -2.00 0.00 0.00 41.25 39.92 3m3r s ASN 173 CO 0.00 -1.14 0.46 -0.32 -2.94 0.00 0.00 177.10 173.17 3m3r s MET 174 N -3.68 0.65 0.15 3.55 1.75 -0.44 -4.31 119.30 116.97 3m3r s MET 174 Ca 0.10 0.39 -0.30 0.00 -1.25 0.00 0.00 55.69 54.63 3m3r s MET 174 Cb -0.04 0.31 -0.07 0.00 2.84 0.00 0.00 34.83 37.87 3m3r s MET 174 CO 0.02 -0.13 1.01 0.08 -0.65 0.00 0.00 175.02 175.35 3m3r s VAL 175 N -0.34 4.22 -0.33 10.11 1.01 -1.26 -1.31 120.40 132.50 3m3r s VAL 175 Ca -0.05 1.90 0.03 0.00 0.00 0.00 0.00 61.98 63.86 3m3r s VAL 175 Cb -0.03 -4.21 0.09 0.00 0.00 0.00 0.00 36.38 32.23 3m3r s VAL 175 CO 0.03 0.32 0.04 0.21 0.00 0.00 0.00 175.10 175.69 3m3r s ASN 176 N -0.14 4.76 -1.34 3.32 3.84 -0.47 -4.75 114.94 120.16 3m3r s ASN 176 Ca 0.47 -2.03 -0.03 0.00 0.21 0.00 0.00 52.86 51.49 3m3r s ASN 176 Cb -0.26 -1.63 -0.00 0.00 -0.55 0.00 0.00 41.25 38.81 3m3r s ASN 176 CO 0.32 -0.36 0.55 0.00 -2.79 0.00 0.00 177.10 174.82 3m3r n GLN 177 N 4.31 -3.48 -1.08 0.43 6.02 -1.26 -1.38 117.38 120.93 3m3r n GLN 177 Ca 0.01 0.48 -0.03 0.00 -0.01 0.00 0.00 57.00 57.45 3m3r n GLN 177 Cb 0.42 -4.67 -0.01 0.00 1.02 0.00 0.00 30.24 27.00 3m3r n GLN 177 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3m3r n ASN 178 N -2.97 -4.64 -4.59 1.08 5.03 -1.26 -5.00 115.26 102.91 3m3r n ASN 178 Ca -0.28 0.07 -0.25 0.00 0.87 0.00 0.00 54.58 54.99 3m3r n ASN 178 Cb 0.67 -2.38 -0.09 0.00 -1.02 0.00 0.00 39.78 36.96 3m3r n ASN 178 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 3m3r s TRP 179 N -1.67 2.48 0.00 3.10 0.52 -0.48 -5.03 118.94 117.86 3m3r s TRP 179 Ca 0.00 -0.46 0.00 0.00 0.02 0.00 0.00 56.10 55.66 3m3r s TRP 179 Cb 0.00 -1.43 0.00 0.00 -1.15 0.00 0.00 33.47 30.89 3m3r s TRP 179 CO 0.00 0.53 0.00 0.41 0.02 0.00 0.00 176.95 177.91 3m3r n GLY 180 N -0.88 0.86 3.72 0.98 0.00 -1.26 -1.37 105.19 107.24 3m3r n GLY 180 Ca -0.05 -1.31 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 3m3r n GLY 180 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3m3r s PRO 181 N 0.00 1.29 0.31 1.61 0.04 -1.26 -5.04 135.00 131.94 3m3r s PRO 181 Ca 0.00 0.85 0.09 0.00 0.04 0.00 0.00 61.00 61.97 3m3r s PRO 181 Cb 0.00 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 3m3r s PRO 181 CO 0.00 -2.23 0.08 0.71 0.04 0.00 0.00 177.00 175.60 3m3r s TYR 182 N -2.93 2.72 0.19 0.56 2.02 -0.42 -4.84 117.35 114.65 3m3r s TYR 182 Ca 0.63 -0.31 -0.01 0.00 -0.37 0.00 0.00 57.07 57.02 3m3r s TYR 182 Cb -0.18 -1.44 0.01 0.00 -0.40 0.00 0.00 41.96 39.95 3m3r s TYR 182 CO 0.57 0.47 0.27 -0.40 -1.57 0.00 0.00 175.55 174.89 3m3r n ASP 183 N -1.04 -0.75 0.20 2.29 3.85 -1.26 -1.33 116.55 118.51 3m3r n ASP 183 Ca -0.05 -2.03 0.13 0.00 -0.71 0.00 0.00 54.79 52.13 3m3r n ASP 183 Cb 0.60 1.40 0.70 0.00 -1.35 0.00 0.00 41.12 42.47 3m3r n ASP 183 CO 0.00 0.00 0.00 0.03 -1.01 0.00 0.00 177.20 176.22 3m3r h ARG 184 N 0.00 0.00 -0.00 0.11 3.08 -1.95 -2.44 114.38 113.18 3m3r h ARG 184 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.90 3m3r h ARG 184 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3m3r h ARG 184 CO 0.20 0.00 -0.29 -0.25 -1.07 0.00 0.00 179.97 178.56 3m3r n ASP 185 N -2.41 0.95 -4.54 7.04 8.00 -1.26 -4.86 116.55 119.47 3m3r n ASP 185 Ca -0.02 -0.97 -0.48 0.00 0.71 0.00 0.00 54.79 54.03 3m3r n ASP 185 Cb 0.08 0.65 -0.03 0.00 -0.02 0.00 0.00 41.12 41.80 3m3r n ASP 185 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3m3r n SER 186 N -0.59 0.64 -3.66 -2.24 7.64 -0.92 -4.98 113.62 109.51 3m3r n SER 186 Ca 0.03 1.15 -0.08 0.00 1.01 0.00 0.00 58.87 60.99 3m3r n SER 186 Cb 0.19 -1.16 -0.09 0.00 -1.01 0.00 0.00 64.21 62.14 3m3r n SER 186 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 3m3r s TRP 187 N -0.70 -0.86 -0.09 1.43 -0.11 -1.26 -3.82 118.94 113.53 3m3r s TRP 187 Ca 0.66 1.64 0.01 0.00 1.22 0.00 0.00 56.10 59.63 3m3r s TRP 187 Cb -0.84 0.39 -0.02 0.00 -1.50 0.00 0.00 33.47 31.50 3m3r s TRP 187 CO 0.56 -0.49 -0.11 1.21 -4.62 0.00 0.00 176.95 173.50 3m3r s ASN 188 N 2.40 4.26 0.25 5.86 3.84 0.04 -4.92 114.94 126.67 3m3r s ASN 188 Ca -0.04 -0.19 -0.04 0.00 0.21 0.00 0.00 52.86 52.80 3m3r s ASN 188 Cb -0.11 -1.27 0.44 0.00 -0.55 0.00 0.00 41.25 39.76 3m3r s ASN 188 CO -0.14 0.27 1.76 -0.65 -2.79 0.00 0.00 177.10 175.56 3m3r h PRO 189 N 5.90 0.58 0.10 0.43 0.11 -2.01 0.41 132.00 137.51 3m3r h PRO 189 Ca -0.39 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 3m3r h PRO 189 Cb 1.18 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3m3r h PRO 189 CO 0.54 0.38 -0.05 0.28 -0.21 0.00 0.00 178.00 178.94 3m3r h VAL 190 N 0.59 0.00 0.00 3.15 2.07 -1.98 -3.40 116.25 116.69 3m3r h VAL 190 Ca 0.41 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3m3r h VAL 190 Cb 0.53 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3m3r h VAL 190 CO -0.33 0.00 -0.44 1.88 0.02 0.00 0.00 177.57 178.69 3m3r h TYR 191 N -0.76 0.00 0.00 1.57 -1.99 -1.78 -3.44 116.97 110.56 3m3r h TYR 191 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 3m3r h TYR 191 Cb 0.10 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.83 3m3r h TYR 191 CO 0.01 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.58 3m3r n GLY 192 N 1.29 0.50 3.58 3.88 0.00 0.14 0.98 105.19 115.57 3m3r n GLY 192 Ca 0.04 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 3m3r n GLY 192 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3m3r s ASN 193 N -4.00 6.53 -0.19 1.61 3.84 0.63 -0.78 114.94 122.59 3m3r s ASN 193 Ca 0.00 0.33 0.07 0.00 0.21 0.00 0.00 52.86 53.47 3m3r s ASN 193 Cb 0.00 -2.38 0.49 0.00 -0.55 0.00 0.00 41.25 38.80 3m3r s ASN 193 CO 0.00 -0.70 1.38 0.00 -2.79 0.00 0.00 177.10 174.99 3m3r n GLN 194 N 6.33 2.93 -0.08 0.43 6.02 -1.26 -3.79 117.38 127.96 3m3r n GLN 194 Ca 0.02 -1.95 -0.08 0.00 -0.01 0.00 0.00 57.00 54.99 3m3r n GLN 194 Cb 0.48 -1.91 -0.05 0.00 1.02 0.00 0.00 30.24 29.78 3m3r n GLN 194 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3m3r h LEU 195 N 2.03 -1.02 -3.35 1.08 6.46 -1.91 -3.06 115.31 115.55 3m3r h LEU 195 Ca 0.13 0.13 -0.16 0.00 -0.12 0.00 0.00 57.88 57.86 3m3r h LEU 195 Cb 1.67 0.42 -0.10 0.00 -0.73 0.00 0.00 40.66 41.92 3m3r h LEU 195 CO 0.43 -0.22 -0.05 0.49 -0.62 0.00 0.00 178.44 178.47 3m3r n PHE 196 N -4.16 1.09 -2.73 1.25 3.72 -1.26 -4.84 117.46 110.53 3m3r n PHE 196 Ca -0.02 -1.50 -0.43 0.00 -0.05 0.00 0.00 57.45 55.45 3m3r n PHE 196 Cb 0.19 -0.47 -0.03 0.00 -0.94 0.00 0.00 39.48 38.23 3m3r n PHE 196 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 3m3r s MET 197 N -3.19 4.16 -0.03 -1.08 1.75 -1.16 -0.28 119.30 119.47 3m3r s MET 197 Ca 0.44 1.12 -0.23 0.00 -1.25 0.00 0.00 55.69 55.77 3m3r s MET 197 Cb 0.40 -3.68 -0.17 0.00 2.84 0.00 0.00 34.83 34.23 3m3r s MET 197 CO 0.01 -0.68 1.02 -0.22 -0.65 0.00 0.00 175.02 174.50 3m3r h LYS 198 N 7.73 -0.24 -5.59 4.11 3.64 0.21 -3.44 116.57 123.00 3m3r h LYS 198 Ca -0.21 0.02 -0.45 0.00 -1.27 0.00 0.00 60.65 58.73 3m3r h LYS 198 Cb 1.07 0.05 -0.15 0.00 -0.41 0.00 0.00 32.23 32.79 3m3r h LYS 198 CO 0.96 0.17 -0.74 0.95 -2.27 0.00 0.00 179.45 178.52 3m3r s THR 199 N -3.87 1.70 -0.14 1.00 -4.23 -1.26 -4.99 115.64 103.85 3m3r s THR 199 Ca -0.13 -2.12 0.04 0.00 -1.18 0.00 0.00 61.69 58.29 3m3r s THR 199 Cb 0.01 -1.97 -0.23 0.00 1.34 0.00 0.00 72.50 71.65 3m3r s THR 199 CO 0.52 -0.54 0.26 0.54 -0.54 0.00 0.00 174.62 174.86 3m3r n ARG 200 N -0.20 0.69 0.00 3.99 1.74 -1.26 -4.56 116.66 117.07 3m3r n ARG 200 Ca -0.09 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 3m3r n ARG 200 Cb 0.60 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 3m3r n ARG 200 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3m3r n ASN 201 N -3.21 0.88 -4.24 0.55 3.02 -1.26 -1.36 115.26 109.63 3m3r n ASN 201 Ca -0.31 -0.95 -0.39 0.00 -0.03 0.00 0.00 54.58 52.89 3m3r n ASN 201 Cb 1.05 0.09 0.01 0.00 -0.61 0.00 0.00 39.78 40.32 3m3r n ASN 201 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m3r n GLY 202 N 0.09 -3.27 0.67 7.41 0.00 -1.26 -4.91 105.19 103.92 3m3r n GLY 202 Ca 0.00 -0.22 0.07 0.00 0.00 0.00 0.00 46.02 45.87 3m3r n GLY 202 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3m3r n SER 203 N 2.52 2.61 -2.71 1.61 3.41 -1.26 -4.93 113.62 114.87 3m3r n SER 203 Ca 0.07 -1.77 -0.05 0.00 -0.26 0.00 0.00 58.87 56.87 3m3r n SER 203 Cb 0.48 -0.13 0.04 0.00 -0.26 0.00 0.00 64.21 64.34 3m3r n SER 203 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 3m3r n MET 204 N 0.79 -1.45 -2.21 4.33 0.00 -1.26 -4.99 117.12 112.33 3m3r n MET 204 Ca 0.11 -0.29 -0.32 0.00 0.00 0.00 0.00 57.70 57.20 3m3r n MET 204 Cb 0.41 -0.27 -0.01 0.00 0.00 0.00 0.00 33.22 33.34 3m3r n MET 204 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 3m3r s LYS 205 N -3.41 3.60 0.16 3.17 1.02 -1.26 -4.93 119.74 118.10 3m3r s LYS 205 Ca 0.12 1.11 -0.16 0.00 0.02 0.00 0.00 55.97 57.05 3m3r s LYS 205 Cb -0.01 -2.08 0.09 0.00 -0.52 0.00 0.00 37.83 35.31 3m3r s LYS 205 CO 0.09 -0.57 1.72 0.00 -0.92 0.00 0.00 175.35 175.66 3m3r h ALA 206 N 0.68 0.38 0.00 5.17 0.00 -0.91 0.57 119.26 125.15 3m3r h ALA 206 Ca -0.47 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3m3r h ALA 206 Cb 1.21 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3m3r h ALA 206 CO 0.59 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.48 3m3r n ALA 207 N -2.47 1.83 -0.59 0.00 0.00 -1.26 -1.22 120.51 116.79 3m3r n ALA 207 Ca 0.02 -0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.47 3m3r n ALA 207 Cb 0.18 -1.10 0.07 0.00 0.00 0.00 0.00 19.45 18.61 3m3r n ALA 207 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3m3r n ASP 208 N -0.83 2.12 -0.20 0.00 10.43 0.19 -4.63 116.55 123.63 3m3r n ASP 208 Ca 0.05 -2.54 0.05 0.00 2.57 0.00 0.00 54.79 54.92 3m3r n ASP 208 Cb 0.02 -0.22 0.10 0.00 1.84 0.00 0.00 41.12 42.85 3m3r n ASP 208 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 3m3r n ASN 209 N -0.96 2.44 -4.85 -2.24 4.05 -0.36 -4.83 115.26 108.51 3m3r n ASN 209 Ca 0.08 -2.48 -0.34 0.00 0.45 0.00 0.00 54.58 52.29 3m3r n ASN 209 Cb 0.46 -0.24 -0.06 0.00 1.23 0.00 0.00 39.78 41.17 3m3r n ASN 209 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 3m3r s PHE 210 N -1.84 3.49 0.31 1.20 0.08 -1.26 0.85 117.98 120.80 3m3r s PHE 210 Ca 0.18 1.12 -0.30 0.00 0.12 0.00 0.00 56.93 58.06 3m3r s PHE 210 Cb 0.15 -2.44 -0.11 0.00 -0.57 0.00 0.00 43.02 40.05 3m3r s PHE 210 CO 0.04 0.26 1.56 -1.17 -0.10 0.00 0.00 175.22 175.81 3m3r s LEU 211 N -2.53 4.34 0.14 -0.37 2.96 0.62 -4.54 118.68 119.30 3m3r s LEU 211 Ca 0.47 2.96 -0.31 0.00 -0.22 0.00 0.00 54.13 57.02 3m3r s LEU 211 Cb -0.13 -3.64 -0.09 0.00 0.50 0.00 0.00 46.19 42.83 3m3r s LEU 211 CO 0.19 -0.89 1.43 -0.62 -1.32 0.00 0.00 176.35 175.14 3m3r s ASP 212 N 0.34 6.76 0.57 3.68 2.15 -1.26 -4.89 116.67 124.01 3m3r s ASP 212 Ca 0.61 2.43 0.29 0.00 0.43 0.00 0.00 52.55 56.30 3m3r s ASP 212 Cb -0.47 -2.59 1.48 0.00 -0.30 0.00 0.00 42.92 41.03 3m3r s ASP 212 CO 0.51 -0.69 1.93 1.55 -0.17 0.00 0.00 175.17 178.30 3m3r h PRO 213 N 6.57 0.00 0.00 4.34 0.13 -1.92 -0.05 132.00 141.06 3m3r h PRO 213 Ca -0.43 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.67 3m3r h PRO 213 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 3m3r h PRO 213 CO 0.86 0.00 -0.16 -0.91 -0.23 0.00 0.00 178.00 177.56 3m3r h ASN 214 N 0.00 0.00 -0.29 1.44 4.21 -1.96 -2.28 115.58 116.71 3m3r h ASN 214 Ca 0.25 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.76 3m3r h ASN 214 Cb 1.19 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.39 3m3r h ASN 214 CO -0.00 0.16 0.00 0.29 -1.29 0.00 0.00 177.43 176.59 3m3r n LYS 215 N -3.59 2.13 -4.44 0.81 5.02 -0.04 -4.93 118.16 113.12 3m3r n LYS 215 Ca -0.01 -1.71 -0.22 0.00 -2.02 0.00 0.00 58.31 54.35 3m3r n LYS 215 Cb 0.30 -1.45 -0.10 0.00 -0.02 0.00 0.00 35.03 33.75 3m3r n LYS 215 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3m3r s ALA 216 N -1.63 2.38 -0.16 7.82 0.00 -0.86 -4.81 121.76 124.49 3m3r s ALA 216 Ca 0.35 -1.99 -0.41 0.00 0.00 0.00 0.00 51.96 49.91 3m3r s ALA 216 Cb 0.20 0.40 -0.18 0.00 0.00 0.00 0.00 23.12 23.54 3m3r s ALA 216 CO 0.29 -0.19 1.44 0.45 0.00 0.00 0.00 175.76 177.74 3m3r n SER 217 N -0.64 1.33 0.33 0.00 2.88 -1.26 -4.80 113.62 111.45 3m3r n SER 217 Ca -0.04 1.13 0.21 0.00 -1.33 0.00 0.00 58.87 58.84 3m3r n SER 217 Cb 0.65 -1.04 1.14 0.00 -0.75 0.00 0.00 64.21 64.21 3m3r n SER 217 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3m3r h SER 218 N 4.96 0.00 0.04 -3.46 4.64 -1.94 -0.64 113.55 117.15 3m3r h SER 218 Ca -0.47 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.76 3m3r h SER 218 Cb 1.36 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.44 3m3r h SER 218 CO 0.84 0.00 -0.26 -0.07 -0.87 0.00 0.00 176.83 176.47 3m3r h LEU 219 N 0.00 0.35 -0.87 5.97 4.07 -1.87 -1.69 115.31 121.26 3m3r h LEU 219 Ca 0.00 -0.11 0.06 0.00 0.08 0.00 0.00 57.88 57.92 3m3r h LEU 219 Cb 0.10 -0.09 -0.06 0.00 1.08 0.00 0.00 40.66 41.69 3m3r h LEU 219 CO -0.00 0.61 0.54 -0.07 -1.08 0.00 0.00 178.44 178.44 3m3r h LEU 220 N 0.31 0.85 0.00 1.67 3.38 -1.43 -3.15 115.31 116.95 3m3r h LEU 220 Ca 0.05 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3m3r h LEU 220 Cb 0.63 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3m3r h LEU 220 CO 0.04 0.54 0.00 -1.54 0.09 0.00 0.00 178.44 177.58 3m3r n SER 221 N -4.61 0.00 0.26 -0.43 3.41 -1.10 -2.46 113.62 108.70 3m3r n SER 221 Ca 0.13 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.83 3m3r n SER 221 Cb 0.18 -0.28 0.69 0.00 -0.26 0.00 0.00 64.21 64.54 3m3r n SER 221 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3m3r h SER 222 N 0.00 0.00 -5.00 4.04 0.02 -1.53 0.15 113.55 111.23 3m3r h SER 222 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3m3r h SER 222 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3m3r h SER 222 CO 0.00 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.32 3m3r n GLY 223 N -1.43 1.73 3.40 -3.77 0.00 -0.99 -3.95 105.19 100.18 3m3r n GLY 223 Ca -0.03 -2.18 -0.32 0.00 0.00 0.00 0.00 46.02 43.48 3m3r n GLY 223 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3m3r s PHE 224 N -1.62 2.62 -0.39 1.61 5.36 -0.46 -4.17 117.98 120.92 3m3r s PHE 224 Ca 0.00 -0.37 -0.08 0.00 -0.96 0.00 0.00 56.93 55.52 3m3r s PHE 224 Cb 0.00 -1.64 0.07 0.00 -0.34 0.00 0.00 43.02 41.11 3m3r s PHE 224 CO 0.00 0.02 0.21 -1.12 -1.46 0.00 0.00 175.22 172.88 3m3r s SER 225 N -0.45 5.54 0.62 6.13 0.01 -1.26 -0.88 113.70 123.41 3m3r s SER 225 Ca 0.05 -1.41 -0.18 0.00 1.31 0.00 0.00 55.95 55.72 3m3r s SER 225 Cb -0.12 -1.95 -0.02 0.00 0.21 0.00 0.00 66.02 64.14 3m3r s SER 225 CO 0.02 -0.47 1.22 -2.84 0.41 0.00 0.00 173.24 171.57 3m3r s PRO 226 N 1.41 2.79 -0.45 12.44 0.02 -1.18 -4.91 135.00 145.12 3m3r s PRO 226 Ca 0.02 1.85 0.07 0.00 0.02 0.00 0.00 61.00 62.96 3m3r s PRO 226 Cb -0.22 -1.90 0.27 0.00 0.02 0.00 0.00 34.50 32.67 3m3r s PRO 226 CO 0.02 -1.36 0.86 -3.47 -0.33 0.00 0.00 177.00 172.72 3m3r n ASP 227 N -1.81 -1.74 -4.67 2.53 2.03 -1.20 -3.88 116.55 107.81 3m3r n ASP 227 Ca 0.14 -3.25 -0.29 0.00 0.52 0.00 0.00 54.79 51.90 3m3r n ASP 227 Cb 0.49 1.10 -0.08 0.00 -0.72 0.00 0.00 41.12 41.91 3m3r n ASP 227 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3m3r s PHE 228 N -0.13 2.92 -0.03 -0.67 2.99 -1.01 -4.73 117.98 117.32 3m3r s PHE 228 Ca 0.31 -0.07 0.05 0.00 0.00 0.00 0.00 56.93 57.22 3m3r s PHE 228 Cb 0.25 -1.49 -0.01 0.00 0.00 0.00 0.00 43.02 41.77 3m3r s PHE 228 CO -0.15 0.48 -0.18 0.00 -0.00 0.00 0.00 175.22 175.36 3m3r s ALA 229 N -1.37 1.58 -0.02 5.36 0.00 -0.13 -1.30 121.76 125.87 3m3r s ALA 229 Ca 0.25 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.49 3m3r s ALA 229 Cb -0.11 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 3m3r s ALA 229 CO 0.18 0.34 -0.15 0.99 0.00 0.00 0.00 175.76 177.11 3m3r s THR 230 N -0.22 1.23 -0.23 0.00 2.01 0.12 -1.53 115.64 117.03 3m3r s THR 230 Ca 0.02 -0.64 -0.03 0.00 0.31 0.00 0.00 61.69 61.35 3m3r s THR 230 Cb -0.09 -1.04 0.00 0.00 0.01 0.00 0.00 72.50 71.38 3m3r s THR 230 CO 0.01 0.35 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.55 3m3r s VAL 231 N -0.16 3.16 -0.15 3.82 1.01 -0.58 -0.25 120.40 127.26 3m3r s VAL 231 Ca 0.02 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 3m3r s VAL 231 Cb -0.08 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 3m3r s VAL 231 CO 0.00 0.36 0.01 -0.63 0.00 0.00 0.00 175.10 174.85 3m3r s ILE 232 N 1.43 4.32 0.05 2.22 1.09 0.28 0.03 121.20 130.63 3m3r s ILE 232 Ca 0.04 -0.21 0.03 0.00 -1.10 0.00 0.00 60.65 59.41 3m3r s ILE 232 Cb -0.15 -2.90 -0.04 0.00 -1.06 0.00 0.00 42.46 38.31 3m3r s ILE 232 CO -0.04 0.50 0.02 0.42 -0.10 0.00 0.00 174.94 175.74 3m3r s THR 233 N 0.13 4.21 -0.02 2.92 -4.23 0.45 -0.99 115.64 118.11 3m3r s THR 233 Ca 0.02 -0.78 -0.00 0.00 -1.18 0.00 0.00 61.69 59.75 3m3r s THR 233 Cb -0.13 -2.97 0.02 0.00 1.34 0.00 0.00 72.50 70.77 3m3r s THR 233 CO 0.02 0.22 0.02 -0.32 -0.54 0.00 0.00 174.62 174.02 3m3r s MET 234 N -2.05 -0.03 0.23 3.99 1.75 -0.47 -1.16 119.30 121.57 3m3r s MET 234 Ca 0.24 0.14 -0.30 0.00 -1.25 0.00 0.00 55.69 54.53 3m3r s MET 234 Cb -0.12 -0.18 -0.09 0.00 2.84 0.00 0.00 34.83 37.28 3m3r s MET 234 CO 0.16 -0.13 1.17 0.34 -0.65 0.00 0.00 175.02 175.92 3m3r s ASP 235 N 0.80 7.12 0.38 1.11 2.15 -1.26 -1.35 116.67 125.62 3m3r s ASP 235 Ca -0.07 2.29 0.28 0.00 0.43 0.00 0.00 52.55 55.48 3m3r s ASP 235 Cb -0.10 -2.62 1.08 0.00 -0.30 0.00 0.00 42.92 40.99 3m3r s ASP 235 CO -0.02 -0.30 1.82 0.03 -0.17 0.00 0.00 175.17 176.52 3m3r h ARG 236 N 4.56 0.00 -0.01 4.34 3.08 -1.97 -2.96 114.38 121.42 3m3r h ARG 236 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3m3r h ARG 236 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3m3r h ARG 236 CO 0.71 0.00 -0.58 1.63 -1.07 0.00 0.00 179.97 180.65 3m3r n LYS 237 N -2.63 0.73 -1.60 0.04 4.76 -1.26 -4.94 118.16 113.26 3m3r n LYS 237 Ca 0.02 -0.57 -0.48 0.00 -2.87 0.00 0.00 58.31 54.41 3m3r n LYS 237 Cb 0.30 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.96 3m3r n LYS 237 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3m3r n ALA 238 N -0.63 -0.32 0.24 7.82 0.00 -1.12 -4.81 120.51 121.68 3m3r n ALA 238 Ca 0.08 0.44 0.13 0.00 0.00 0.00 0.00 53.44 54.09 3m3r n ALA 238 Cb 0.40 -2.08 0.48 0.00 0.00 0.00 0.00 19.45 18.26 3m3r n ALA 238 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3m3r h SER 239 N 3.41 0.00 -3.53 0.00 4.64 -1.92 -3.38 113.55 112.77 3m3r h SER 239 Ca -0.43 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.18 3m3r h SER 239 Cb 1.33 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 63.10 3m3r h SER 239 CO 0.70 0.11 -0.42 -0.75 -0.87 0.00 0.00 176.83 175.60 3m3r s LYS 240 N -3.55 2.37 -0.19 4.77 2.20 -1.26 -4.97 119.74 119.11 3m3r s LYS 240 Ca 0.02 -1.95 0.01 0.00 -0.36 0.00 0.00 55.97 53.69 3m3r s LYS 240 Cb 0.09 -3.79 0.22 0.00 -1.51 0.00 0.00 37.83 32.84 3m3r s LYS 240 CO 0.61 -1.15 1.52 1.04 -0.36 0.00 0.00 175.35 177.01 3m3r n GLN 241 N 4.51 1.50 -4.33 4.03 1.13 -1.26 -4.82 117.38 118.14 3m3r n GLN 241 Ca -0.02 -1.14 -0.18 0.00 -1.94 0.00 0.00 57.00 53.72 3m3r n GLN 241 Cb 0.41 -1.45 -0.14 0.00 0.11 0.00 0.00 30.24 29.17 3m3r n GLN 241 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3m3r s GLN 242 N -1.27 0.74 -0.01 -1.09 1.11 -1.26 -2.19 119.66 115.69 3m3r s GLN 242 Ca 0.22 -0.44 -0.01 0.00 0.01 0.00 0.00 55.36 55.14 3m3r s GLN 242 Cb 0.18 -0.70 0.00 0.00 -1.01 0.00 0.00 33.01 31.48 3m3r s GLN 242 CO 0.03 0.18 0.02 0.99 0.01 0.00 0.00 175.29 176.52 3m3r s THR 243 N -0.44 -0.00 0.04 -0.19 2.01 0.49 -4.98 115.64 112.56 3m3r s THR 243 Ca 0.02 0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.04 3m3r s THR 243 Cb -0.05 -0.04 -0.04 0.00 0.01 0.00 0.00 72.50 72.38 3m3r s THR 243 CO 0.00 0.00 0.10 0.20 -0.69 0.00 0.00 174.62 174.24 3m3r s ASN 244 N 0.06 5.75 -0.09 3.53 0.01 -1.26 0.66 114.94 123.60 3m3r s ASN 244 Ca -0.00 0.11 -0.07 0.00 -0.71 0.00 0.00 52.86 52.19 3m3r s ASN 244 Cb -0.01 -1.64 0.03 0.00 0.41 0.00 0.00 41.25 40.05 3m3r s ASN 244 CO -0.00 0.22 0.23 -0.51 -1.51 0.00 0.00 177.10 175.53 3m3r s ILE 245 N -1.32 -0.01 -0.06 0.60 2.07 -0.77 -4.21 121.20 117.49 3m3r s ILE 245 Ca 0.27 0.05 -0.01 0.00 -1.41 0.00 0.00 60.65 59.56 3m3r s ILE 245 Cb -0.12 -0.34 -0.03 0.00 0.13 0.00 0.00 42.46 42.09 3m3r s ILE 245 CO 0.19 0.02 -0.01 -1.81 -1.91 0.00 0.00 174.94 171.42 3m3r s ASP 246 N 0.50 5.09 -0.06 4.50 -0.00 -0.75 -0.63 116.67 125.31 3m3r s ASP 246 Ca -0.03 0.08 0.03 0.00 -0.00 0.00 0.00 52.55 52.62 3m3r s ASP 246 Cb -0.05 -1.38 0.01 0.00 -0.00 0.00 0.00 42.92 41.50 3m3r s ASP 246 CO -0.03 0.35 -0.14 -0.69 -0.00 0.00 0.00 175.17 174.67 3m3r s VAL 247 N -0.91 1.22 -0.12 -1.27 1.01 -0.03 -1.28 120.40 119.02 3m3r s VAL 247 Ca 0.14 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.60 3m3r s VAL 247 Cb -0.11 -1.09 -0.00 0.00 0.00 0.00 0.00 36.38 35.18 3m3r s VAL 247 CO 0.04 0.37 -0.21 -0.63 0.00 0.00 0.00 175.10 174.67 3m3r s ILE 248 N 0.46 2.33 -0.13 2.22 1.09 0.00 -1.23 121.20 125.93 3m3r s ILE 248 Ca -0.11 -0.92 -0.03 0.00 -1.10 0.00 0.00 60.65 58.49 3m3r s ILE 248 Cb -0.14 -1.92 -0.03 0.00 -1.06 0.00 0.00 42.46 39.31 3m3r s ILE 248 CO 0.03 0.55 -0.04 -0.31 -0.10 0.00 0.00 174.94 175.07 3m3r s TYR 249 N 0.43 3.03 0.02 3.97 4.12 -0.21 -1.26 117.35 127.45 3m3r s TYR 249 Ca -0.15 -0.17 -0.02 0.00 0.02 0.00 0.00 57.07 56.74 3m3r s TYR 249 Cb -0.17 -1.89 -0.01 0.00 -1.52 0.00 0.00 41.96 38.36 3m3r s TYR 249 CO 0.06 0.10 0.02 -2.00 0.02 0.00 0.00 175.55 173.75 3m3r s GLU 250 N -0.01 0.39 -0.05 -0.62 2.12 0.33 -1.24 118.70 119.63 3m3r s GLU 250 Ca 0.01 -0.60 0.01 0.00 0.36 0.00 0.00 54.97 54.75 3m3r s GLU 250 Cb -0.13 0.15 0.02 0.00 0.26 0.00 0.00 34.13 34.43 3m3r s GLU 250 CO 0.03 -0.08 -0.05 0.50 -0.54 0.00 0.00 175.26 175.12 3m3r s ARG 251 N -1.64 0.92 -0.20 4.30 3.52 -0.27 -0.55 118.95 125.04 3m3r s ARG 251 Ca -0.14 -0.13 -0.04 0.00 -0.13 0.00 0.00 55.73 55.29 3m3r s ARG 251 Cb -0.08 -0.92 -0.01 0.00 -1.56 0.00 0.00 34.95 32.38 3m3r s ARG 251 CO -0.01 -0.08 -0.05 0.08 -0.81 0.00 0.00 175.30 174.43 3m3r s VAL 252 N 0.94 3.50 -0.07 7.11 1.01 0.12 -0.49 120.40 132.52 3m3r s VAL 252 Ca -0.11 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.41 3m3r s VAL 252 Cb -0.14 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 3m3r s VAL 252 CO 0.00 0.44 -0.05 -0.13 0.00 0.00 0.00 175.10 175.37 3m3r s ARG 253 N 1.10 2.83 0.37 2.72 0.52 0.95 -0.27 118.95 127.18 3m3r s ARG 253 Ca 0.01 -0.51 0.06 0.00 -0.52 0.00 0.00 55.73 54.77 3m3r s ARG 253 Cb -0.15 -2.65 -0.00 0.00 0.52 0.00 0.00 34.95 32.67 3m3r s ARG 253 CO -0.00 0.66 0.53 -0.51 0.02 0.00 0.00 175.30 176.00 3m3r s ASP 254 N -0.80 5.88 -0.28 0.23 1.11 0.92 -0.93 116.67 122.80 3m3r s ASP 254 Ca 0.12 -0.14 -0.02 0.00 0.18 0.00 0.00 52.55 52.69 3m3r s ASP 254 Cb -0.11 -1.18 0.04 0.00 1.07 0.00 0.00 42.92 42.74 3m3r s ASP 254 CO 0.02 -0.55 -0.02 -0.62 1.18 0.00 0.00 175.17 175.18 3m3r s ASP 255 N -4.21 4.71 -0.34 0.27 -1.08 -0.03 -2.41 116.67 113.57 3m3r s ASP 255 Ca 0.47 -1.15 -0.09 0.00 -0.52 0.00 0.00 52.55 51.26 3m3r s ASP 255 Cb -0.10 -1.69 0.02 0.00 -1.46 0.00 0.00 42.92 39.69 3m3r s ASP 255 CO 0.33 -0.22 0.14 -0.47 0.52 0.00 0.00 175.17 175.47 3m3r s TYR 256 N 1.27 3.21 -0.08 -5.34 6.14 -0.39 -0.17 117.35 121.99 3m3r s TYR 256 Ca -0.04 -1.01 0.01 0.00 0.64 0.00 0.00 57.07 56.67 3m3r s TYR 256 Cb -0.19 -2.34 -0.03 0.00 0.42 0.00 0.00 41.96 39.82 3m3r s TYR 256 CO -0.02 -0.62 -0.07 -0.65 0.64 0.00 0.00 175.55 174.83 3m3r s GLN 257 N 1.52 2.84 -0.15 4.97 -0.21 0.42 -1.02 119.66 128.03 3m3r s GLN 257 Ca 0.02 -0.56 0.01 0.00 0.02 0.00 0.00 55.36 54.84 3m3r s GLN 257 Cb -0.18 -2.61 -0.00 0.00 1.00 0.00 0.00 33.01 31.22 3m3r s GLN 257 CO 0.05 0.61 -0.16 -0.51 -2.12 0.00 0.00 175.29 173.15 3m3r s LEU 258 N -0.65 2.44 0.02 2.90 1.43 -0.83 -0.12 118.68 123.87 3m3r s LEU 258 Ca 0.10 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 3m3r s LEU 258 Cb -0.11 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 3m3r s LEU 258 CO 0.02 0.09 -0.10 -1.38 0.23 0.00 0.00 176.35 175.21 3m3r s HIS 259 N 0.78 0.89 -0.18 0.29 -3.43 -0.91 -1.95 115.29 110.77 3m3r s HIS 259 Ca -0.06 -0.30 -0.21 0.00 -0.80 0.00 0.00 55.06 53.69 3m3r s HIS 259 Cb -0.15 -0.54 -0.03 0.00 -1.43 0.00 0.00 32.58 30.43 3m3r s HIS 259 CO 0.00 -0.01 0.65 -0.46 -2.00 0.00 0.00 174.74 172.93 3m3r s TRP 260 N -0.70 3.40 -0.03 0.38 -0.11 0.48 -1.69 118.94 120.67 3m3r s TRP 260 Ca -0.00 0.99 -0.19 0.00 1.22 0.00 0.00 56.10 58.11 3m3r s TRP 260 Cb -0.06 -2.82 -0.12 0.00 -1.50 0.00 0.00 33.47 28.97 3m3r s TRP 260 CO 0.00 -0.15 0.82 1.79 -4.62 0.00 0.00 176.95 174.79 3m3r h THR 261 N 5.14 0.31 0.00 5.86 1.35 -1.32 -3.48 112.91 120.77 3m3r h THR 261 Ca -0.32 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 3m3r h THR 261 Cb 1.15 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 3m3r h THR 261 CO 0.78 0.07 0.00 -1.54 -0.25 0.00 0.00 175.52 174.58 3m3r n SER 262 N -5.11 0.00 -0.00 5.36 3.41 -1.26 -4.94 113.62 111.08 3m3r n SER 262 Ca -0.08 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.53 3m3r n SER 262 Cb 0.25 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.20 3m3r n SER 262 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3m3r n THR 263 N 0.00 0.00 -3.45 6.66 -1.04 -1.26 -5.12 114.28 110.08 3m3r n THR 263 Ca 0.00 -0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 3m3r n THR 263 Cb 0.00 -0.72 0.02 0.00 -1.82 0.00 0.00 70.33 67.81 3m3r n THR 263 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3m3r n ASN 264 N -1.91 -1.26 -4.87 8.00 6.94 -1.26 -4.90 115.26 116.00 3m3r n ASN 264 Ca -0.00 -1.89 -0.34 0.00 -0.02 0.00 0.00 54.58 52.33 3m3r n ASN 264 Cb 0.41 2.11 -0.05 0.00 -2.36 0.00 0.00 39.78 39.88 3m3r n ASN 264 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3m3r s TRP 265 N -5.18 3.56 -0.02 -2.53 0.52 -0.46 -0.81 118.94 114.02 3m3r s TRP 265 Ca 0.09 0.81 0.00 0.00 0.02 0.00 0.00 56.10 57.03 3m3r s TRP 265 Cb -0.03 -2.18 0.02 0.00 -1.15 0.00 0.00 33.47 30.13 3m3r s TRP 265 CO 0.07 0.48 0.01 0.21 0.02 0.00 0.00 176.95 177.73 3m3r s LYS 266 N -2.06 0.19 -0.01 4.98 2.20 -0.68 -4.49 119.74 119.88 3m3r s LYS 266 Ca 0.36 0.09 -0.01 0.00 -0.36 0.00 0.00 55.97 56.04 3m3r s LYS 266 Cb -0.14 -0.38 -0.04 0.00 -1.51 0.00 0.00 37.83 35.77 3m3r s LYS 266 CO 0.19 -0.12 0.10 0.20 -0.36 0.00 0.00 175.35 175.35 3m3r s GLY 267 N 0.90 2.04 -0.02 5.54 0.00 0.27 -2.14 107.32 113.91 3m3r s GLY 267 Ca -0.09 -0.85 0.03 0.00 0.00 0.00 0.00 44.72 43.81 3m3r s GLY 267 CO -0.02 -0.72 -0.09 -1.59 0.00 0.00 0.00 173.10 170.68 3m3r s THR 268 N -1.20 0.79 -0.11 0.90 2.01 0.83 -0.27 115.64 118.59 3m3r s THR 268 Ca 0.23 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.87 3m3r s THR 268 Cb -0.12 -0.70 0.02 0.00 0.01 0.00 0.00 72.50 71.71 3m3r s THR 268 CO 0.14 0.24 -0.13 0.21 -0.69 0.00 0.00 174.62 174.40 3m3r s ASN 269 N 0.15 2.30 -0.16 3.53 2.47 -1.25 0.16 114.94 122.13 3m3r s ASN 269 Ca -0.02 -0.38 -0.02 0.00 0.42 0.00 0.00 52.86 52.85 3m3r s ASN 269 Cb -0.08 -0.99 -0.01 0.00 -1.45 0.00 0.00 41.25 38.71 3m3r s ASN 269 CO 0.00 -0.03 -0.09 0.42 -3.72 0.00 0.00 177.10 173.69 3m3r s THR 270 N 1.21 3.30 0.53 -5.21 -4.23 0.76 -4.94 115.64 107.06 3m3r s THR 270 Ca -0.03 -0.55 -0.19 0.00 -1.18 0.00 0.00 61.69 59.74 3m3r s THR 270 Cb -0.14 -2.44 -0.06 0.00 1.34 0.00 0.00 72.50 71.20 3m3r s THR 270 CO -0.04 0.49 1.07 -0.54 -0.54 0.00 0.00 174.62 175.06 3m3r s LYS 271 N 0.73 3.52 -1.80 3.99 1.02 -1.26 -0.85 119.74 125.09 3m3r s LYS 271 Ca -0.04 1.41 -0.21 0.00 0.02 0.00 0.00 55.97 57.15 3m3r s LYS 271 Cb -0.15 -2.05 0.20 0.00 -0.52 0.00 0.00 37.83 35.31 3m3r s LYS 271 CO 0.02 -0.67 0.67 -0.25 -0.92 0.00 0.00 175.35 174.20 3m3r n ASP 272 N -1.34 -2.43 -0.18 2.83 10.43 -1.25 -4.85 116.55 119.76 3m3r n ASP 272 Ca 0.10 -1.14 -0.05 0.00 2.57 0.00 0.00 54.79 56.27 3m3r n ASP 272 Cb 0.52 -2.13 0.04 0.00 1.84 0.00 0.00 41.12 41.39 3m3r n ASP 272 CO 0.00 0.00 0.00 0.50 -1.07 0.00 0.00 177.20 176.63 3m3r h LYS 273 N -1.18 0.60 -5.36 -1.24 3.11 -1.19 -3.44 116.57 107.86 3m3r h LYS 273 Ca -0.60 -0.04 -0.40 0.00 -2.81 0.00 0.00 60.65 56.80 3m3r h LYS 273 Cb 1.39 -0.13 -0.18 0.00 -1.00 0.00 0.00 32.23 32.30 3m3r h LYS 273 CO 0.84 0.39 -0.75 -1.58 -2.81 0.00 0.00 179.45 175.54 3m3r s TRP 274 N -6.14 1.37 -0.04 1.91 0.51 -0.50 -4.99 118.94 111.06 3m3r s TRP 274 Ca -0.13 -0.57 -0.01 0.00 -2.12 0.00 0.00 56.10 53.27 3m3r s TRP 274 Cb 0.13 -0.71 0.03 0.00 -0.81 0.00 0.00 33.47 32.11 3m3r s TRP 274 CO 0.74 0.13 0.02 0.99 -0.51 0.00 0.00 176.95 178.32 3m3r s THR 275 N -2.24 0.15 -0.25 2.01 2.01 -1.26 -0.03 115.64 116.02 3m3r s THR 275 Ca 0.09 0.19 -0.04 0.00 0.31 0.00 0.00 61.69 62.23 3m3r s THR 275 Cb -0.04 -0.30 0.00 0.00 0.01 0.00 0.00 72.50 72.17 3m3r s THR 275 CO 0.03 0.18 -0.00 -1.81 -0.69 0.00 0.00 174.62 172.32 3m3r s ASP 276 N 1.55 4.60 -0.11 3.53 1.01 0.35 -4.98 116.67 122.63 3m3r s ASP 276 Ca -0.02 -0.60 0.03 0.00 0.71 0.00 0.00 52.55 52.66 3m3r s ASP 276 Cb -0.13 -1.77 -0.00 0.00 1.01 0.00 0.00 42.92 42.03 3m3r s ASP 276 CO -0.03 -0.10 -0.21 -0.13 0.21 0.00 0.00 175.17 174.91 3m3r s ARG 277 N 1.45 3.13 -0.19 8.23 0.52 -1.26 -1.12 118.95 129.72 3m3r s ARG 277 Ca 0.03 -0.83 0.01 0.00 -0.52 0.00 0.00 55.73 54.42 3m3r s ARG 277 Cb -0.16 -2.38 0.04 0.00 0.52 0.00 0.00 34.95 32.97 3m3r s ARG 277 CO -0.01 0.18 -0.12 0.45 0.02 0.00 0.00 175.30 175.82 3m3r s SER 278 N 0.36 3.21 0.00 0.23 0.15 -0.37 -5.00 113.70 112.28 3m3r s SER 278 Ca -0.17 -0.78 0.07 0.00 0.70 0.00 0.00 55.95 55.77 3m3r s SER 278 Cb -0.17 -1.24 -0.03 0.00 -1.71 0.00 0.00 66.02 62.87 3m3r s SER 278 CO 0.08 -0.11 -0.20 -0.55 1.20 0.00 0.00 173.24 173.66 3m3r s SER 279 N 1.41 3.62 0.02 5.45 0.15 -1.26 -1.04 113.70 122.04 3m3r s SER 279 Ca 0.01 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.27 3m3r s SER 279 Cb -0.15 -0.58 -0.01 0.00 -1.71 0.00 0.00 66.02 63.57 3m3r s SER 279 CO -0.09 0.29 -0.03 -0.70 1.20 0.00 0.00 173.24 173.91 3m3r s GLU 280 N -1.04 0.27 -0.16 5.44 2.56 -0.36 -4.97 118.70 120.43 3m3r s GLU 280 Ca 0.12 -0.46 -0.03 0.00 0.00 0.00 0.00 54.97 54.60 3m3r s GLU 280 Cb -0.10 0.01 -0.02 0.00 2.00 0.00 0.00 34.13 36.01 3m3r s GLU 280 CO 0.02 -0.02 -0.05 0.50 -0.56 0.00 0.00 175.26 175.15 3m3r s ARG 281 N -1.06 3.59 0.08 4.30 3.52 -1.26 -0.85 118.95 127.28 3m3r s ARG 281 Ca -0.10 -0.56 0.05 0.00 -0.13 0.00 0.00 55.73 54.99 3m3r s ARG 281 Cb -0.07 -2.87 -0.04 0.00 -1.56 0.00 0.00 34.95 30.41 3m3r s ARG 281 CO -0.01 0.20 -0.05 0.71 -0.81 0.00 0.00 175.30 175.34 3m3r s TYR 282 N 0.46 2.88 -0.14 5.12 2.02 0.19 -4.62 117.35 123.26 3m3r s TYR 282 Ca -0.05 -0.08 -0.02 0.00 -0.37 0.00 0.00 57.07 56.56 3m3r s TYR 282 Cb -0.15 -1.51 -0.02 0.00 -0.40 0.00 0.00 41.96 39.88 3m3r s TYR 282 CO 0.03 0.44 -0.08 0.21 -1.57 0.00 0.00 175.55 174.59 3m3r s LYS 283 N -2.11 3.54 -0.19 -0.62 2.20 0.13 -1.84 119.74 120.85 3m3r s LYS 283 Ca 0.22 -0.59 -0.04 0.00 -0.36 0.00 0.00 55.97 55.20 3m3r s LYS 283 Cb -0.11 -2.80 -0.02 0.00 -1.51 0.00 0.00 37.83 33.39 3m3r s LYS 283 CO 0.15 0.24 -0.02 0.42 -0.36 0.00 0.00 175.35 175.78 3m3r s ILE 284 N 0.33 3.81 -0.38 5.43 1.01 0.21 -1.22 121.20 130.40 3m3r s ILE 284 Ca -0.07 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.22 3m3r s ILE 284 Cb -0.15 -2.71 0.10 0.00 0.01 0.00 0.00 42.46 39.71 3m3r s ILE 284 CO 0.04 0.44 0.13 -0.62 0.00 0.00 0.00 174.94 174.93 3m3r s ASP 285 N 0.97 5.03 0.32 3.58 3.68 -0.66 -0.38 116.67 129.20 3m3r s ASP 285 Ca 0.01 -2.06 0.25 0.00 2.13 0.00 0.00 52.55 52.87 3m3r s ASP 285 Cb -0.14 -1.74 1.11 0.00 -1.45 0.00 0.00 42.92 40.70 3m3r s ASP 285 CO 0.01 -0.46 1.75 -0.50 0.13 0.00 0.00 175.17 176.10 3m3r h TRP 286 N 7.86 0.00 0.08 -5.34 4.06 -1.73 0.27 115.95 121.14 3m3r h TRP 286 Ca -0.09 0.00 -0.27 0.00 2.06 0.00 0.00 58.89 60.59 3m3r h TRP 286 Cb 1.04 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.18 3m3r h TRP 286 CO 0.51 0.00 -1.40 0.93 -3.56 0.00 0.00 178.44 174.92 3m3r h GLU 287 N 0.00 0.16 -0.00 0.49 5.08 -1.94 -3.34 114.58 115.04 3m3r h GLU 287 Ca 0.00 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3m3r h GLU 287 Cb 0.28 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3m3r h GLU 287 CO 0.00 1.13 -0.22 1.63 -1.00 0.00 0.00 179.01 180.55 3m3r n LYS 288 N -4.03 0.04 -3.59 2.33 5.02 -1.19 -4.95 118.16 111.79 3m3r n LYS 288 Ca -0.27 -0.01 -0.27 0.00 -2.02 0.00 0.00 58.31 55.73 3m3r n LYS 288 Cb 0.84 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.40 3m3r n LYS 288 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3m3r n GLU 289 N -1.47 -1.65 -3.80 1.97 1.02 0.91 -5.00 120.64 112.61 3m3r n GLU 289 Ca 0.07 0.55 -0.12 0.00 -0.02 0.00 0.00 57.16 57.64 3m3r n GLU 289 Cb 0.33 -4.56 -0.09 0.00 -0.02 0.00 0.00 31.44 27.11 3m3r n GLU 289 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3m3r s GLU 290 N -5.63 0.61 -0.03 3.49 -1.05 -1.02 -4.89 118.70 110.18 3m3r s GLU 290 Ca 0.44 -0.29 0.08 0.00 -0.15 0.00 0.00 54.97 55.05 3m3r s GLU 290 Cb -0.13 0.27 -0.02 0.00 -0.44 0.00 0.00 34.13 33.80 3m3r s GLU 290 CO 0.83 -0.16 -0.25 1.41 0.95 0.00 0.00 175.26 178.04 3m3r s MET 291 N -1.42 2.19 0.16 -4.83 1.75 -1.26 -1.66 119.30 114.23 3m3r s MET 291 Ca -0.14 -0.92 -0.01 0.00 -1.25 0.00 0.00 55.69 53.38 3m3r s MET 291 Cb -0.06 -2.07 -0.04 0.00 2.84 0.00 0.00 34.83 35.50 3m3r s MET 291 CO 0.03 0.54 0.09 0.95 -0.65 0.00 0.00 175.02 175.98 3m3r s THR 292 N -0.55 0.05 0.00 10.11 -4.23 -0.35 -4.96 115.64 115.71 3m3r s THR 292 Ca 0.08 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 3m3r s THR 292 Cb -0.11 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 71.48 3m3r s THR 292 CO -0.00 -0.24 0.00 -0.46 -0.54 0.00 0.00 174.62 173.37