#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m3r h ASP 2 N 0.00 0.02 -0.52 0.00 3.32 -1.95 0.62 116.42 117.92 3m3r h ASP 2 Ca 0.00 0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 3m3r h ASP 2 Cb 0.00 0.30 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 3m3r h ASP 2 CO 0.00 -0.27 0.32 0.77 -1.72 0.00 0.00 179.24 178.35 3m3r h SER 3 N 0.13 0.62 0.19 6.45 4.64 -1.93 -0.72 113.55 122.92 3m3r h SER 3 Ca 0.66 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.94 3m3r h SER 3 Cb 1.47 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3m3r h SER 3 CO -0.74 0.47 -0.03 0.44 -0.87 0.00 0.00 176.83 176.09 3m3r h ASP 4 N 0.72 0.00 -0.19 4.97 3.45 -0.09 -2.03 116.42 123.25 3m3r h ASP 4 Ca 0.19 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.57 3m3r h ASP 4 Cb -0.04 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 38.68 3m3r h ASP 4 CO -0.04 0.03 -0.20 2.30 -1.57 0.00 0.00 179.24 179.77 3m3r n ILE 5 N -3.49 2.34 -2.10 0.35 -5.35 -0.33 -4.98 119.36 105.79 3m3r n ILE 5 Ca -0.02 -2.76 -0.20 0.00 -0.27 0.00 0.00 62.75 59.49 3m3r n ILE 5 Cb 0.14 -0.28 -0.04 0.00 -1.74 0.00 0.00 39.64 37.72 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 -1.10 -5.62 -4.55 7.28 4.13 -0.76 -5.01 115.26 109.63 3m3r n ASN 6 Ca 0.25 0.16 -0.32 0.00 1.68 0.00 0.00 54.58 56.35 3m3r n ASN 6 Cb 0.87 -4.73 -0.11 0.00 -1.54 0.00 0.00 39.78 34.26 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 -2.91 3.43 0.12 2.41 1.01 -0.86 -5.02 121.20 119.38 3m3r s ILE 7 Ca 0.00 -0.76 -0.34 0.00 0.00 0.00 0.00 60.65 59.55 3m3r s ILE 7 Cb 0.00 -2.44 -0.13 0.00 0.01 0.00 0.00 42.46 39.90 3m3r s ILE 7 CO 0.00 0.47 1.66 1.17 0.00 0.00 0.00 174.94 178.24 3m3r n LYS 8 N 1.84 2.24 -1.65 2.79 4.81 -1.26 -3.84 118.16 123.09 3m3r n LYS 8 Ca -0.16 0.81 -0.45 0.00 -0.87 0.00 0.00 58.31 57.64 3m3r n LYS 8 Cb 0.52 -2.61 -0.02 0.00 0.02 0.00 0.00 35.03 32.95 3m3r n LYS 8 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3m3r n THR 9 N 3.85 1.40 -0.43 3.15 -1.04 -1.26 -1.47 114.28 118.48 3m3r n THR 9 Ca 0.18 -0.35 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 3m3r n THR 9 Cb 0.30 -1.31 0.00 0.00 -1.82 0.00 0.00 70.33 67.50 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 1.62 2.12 0.38 3.41 0.00 -1.26 -4.91 105.19 106.55 3m3r n GLY 10 Ca 0.10 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.26 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 0.77 -0.25 2.61 2.02 -1.61 -2.44 112.91 114.01 3m3r h THR 11 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3m3r h THR 11 Cb 0.00 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 3m3r h THR 11 CO 0.00 0.11 0.00 0.35 0.37 0.00 0.00 175.52 176.35 3m3r n THR 12 N -4.58 0.30 -1.55 3.16 -2.24 -1.26 -4.97 114.28 103.14 3m3r n THR 12 Ca 0.19 -0.64 -0.31 0.00 -2.27 0.00 0.00 64.05 61.02 3m3r n THR 12 Cb 0.55 1.15 0.06 0.00 -2.10 0.00 0.00 70.33 70.00 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 -1.69 5.09 0.14 3.42 1.01 -0.92 -5.05 116.67 118.67 3m3r s ASP 13 Ca 0.35 1.76 0.03 0.00 0.71 0.00 0.00 52.55 55.40 3m3r s ASP 13 Cb 0.22 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.59 3m3r s ASP 13 CO 0.31 -1.64 0.23 -0.63 0.21 0.00 0.00 175.17 173.65 3m3r s ILE 14 N -2.83 5.09 0.00 0.77 1.01 -1.26 -4.71 121.20 119.26 3m3r s ILE 14 Ca 0.61 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 60.50 3m3r s ILE 14 Cb -0.16 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.71 3m3r s ILE 14 CO 0.51 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 176.00 3m3r n GLY 15 N -0.37 1.10 3.79 6.18 0.00 -1.26 -5.10 105.19 109.52 3m3r n GLY 15 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.83 6.02 -1.61 1.61 1.04 -1.26 -3.30 113.70 114.37 3m3r s SER 16 Ca 0.00 2.05 -0.14 0.00 0.48 0.00 0.00 55.95 58.34 3m3r s SER 16 Cb 0.00 -2.57 0.11 0.00 0.10 0.00 0.00 66.02 63.66 3m3r s SER 16 CO 0.00 -1.00 0.74 -3.20 0.98 0.00 0.00 173.24 170.75 3m3r n ASN 17 N -1.15 -2.87 -3.98 7.02 4.05 -1.26 -4.94 115.26 112.13 3m3r n ASN 17 Ca 0.10 -0.97 -0.18 0.00 0.45 0.00 0.00 54.58 53.98 3m3r n ASN 17 Cb 0.52 -3.00 -0.15 0.00 1.23 0.00 0.00 39.78 38.38 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 -3.44 0.60 -0.38 -0.44 2.01 -1.21 -4.94 115.64 107.84 3m3r s THR 18 Ca 0.56 -0.29 -0.21 0.00 0.31 0.00 0.00 61.69 62.06 3m3r s THR 18 Cb -0.30 -0.53 0.01 0.00 0.01 0.00 0.00 72.50 71.69 3m3r s THR 18 CO 0.90 0.18 0.69 -0.89 -0.69 0.00 0.00 174.62 174.82 3m3r s THR 19 N 0.05 4.81 -0.06 -0.82 2.01 -1.26 -5.03 115.64 115.34 3m3r s THR 19 Ca -0.00 0.56 -0.18 0.00 0.31 0.00 0.00 61.69 62.37 3m3r s THR 19 Cb -0.06 -4.16 -0.05 0.00 0.01 0.00 0.00 72.50 68.25 3m3r s THR 19 CO -0.00 -0.44 0.50 -0.69 -0.69 0.00 0.00 174.62 173.30 3m3r s VAL 20 N 2.89 5.07 -0.17 3.82 1.01 -1.26 -4.72 120.40 127.03 3m3r s VAL 20 Ca 0.26 1.02 -0.05 0.00 0.00 0.00 0.00 61.98 63.22 3m3r s VAL 20 Cb -0.14 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 3m3r s VAL 20 CO 0.17 0.41 -0.01 -0.54 0.00 0.00 0.00 175.10 175.13 3m3r s LYS 21 N 0.03 3.74 0.38 2.72 -0.14 -1.03 -4.95 119.74 120.48 3m3r s LYS 21 Ca 0.27 -0.47 0.05 0.00 -1.36 0.00 0.00 55.97 54.46 3m3r s LYS 21 Cb -0.16 -3.02 -0.07 0.00 -1.68 0.00 0.00 37.83 32.90 3m3r s LYS 21 CO 0.13 0.22 0.03 0.95 -0.76 0.00 0.00 175.35 175.92 3m3r s THR 22 N 0.46 1.57 -0.04 2.17 -4.23 -1.26 -0.13 115.64 114.18 3m3r s THR 22 Ca -0.02 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.19 3m3r s THR 22 Cb -0.14 -2.86 0.11 0.00 1.34 0.00 0.00 72.50 70.95 3m3r s THR 22 CO 0.02 0.00 0.98 -0.83 -0.54 0.00 0.00 174.62 174.25 3m3r s GLY 23 N -3.62 -0.41 -0.02 3.99 0.00 -1.04 -4.99 107.32 101.24 3m3r s GLY 23 Ca 0.34 1.11 0.07 0.00 0.00 0.00 0.00 44.72 46.25 3m3r s GLY 23 CO 0.16 0.37 -0.23 0.99 0.00 0.00 0.00 173.10 174.39 3m3r s ASP 24 N -2.44 2.69 -0.11 1.64 1.11 -1.26 -2.06 116.67 116.24 3m3r s ASP 24 Ca 0.07 -0.42 -0.04 0.00 0.18 0.00 0.00 52.55 52.34 3m3r s ASP 24 Cb -0.01 -0.30 0.05 0.00 1.07 0.00 0.00 42.92 43.73 3m3r s ASP 24 CO -0.07 0.28 0.07 -0.76 1.18 0.00 0.00 175.17 175.87 3m3r s LEU 25 N -0.55 0.28 -0.11 1.23 1.02 -0.35 -4.98 118.68 115.21 3m3r s LEU 25 Ca 0.09 -0.30 0.01 0.00 0.02 0.00 0.00 54.13 53.94 3m3r s LEU 25 Cb -0.09 -0.21 -0.02 0.00 0.02 0.00 0.00 46.19 45.90 3m3r s LEU 25 CO -0.01 -0.30 -0.14 -0.69 0.02 0.00 0.00 176.35 175.23 3m3r s VAL 26 N 2.14 3.00 -0.03 -1.59 1.01 -1.26 -0.74 120.40 122.92 3m3r s VAL 26 Ca 0.03 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.33 3m3r s VAL 26 Cb -0.14 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.02 3m3r s VAL 26 CO -0.06 0.54 -0.06 -0.89 0.00 0.00 0.00 175.10 174.63 3m3r s THR 27 N 0.12 0.58 -0.24 3.92 2.01 0.76 -5.02 115.64 117.78 3m3r s THR 27 Ca -0.07 -0.20 -0.01 0.00 0.31 0.00 0.00 61.69 61.73 3m3r s THR 27 Cb -0.15 -0.57 0.03 0.00 0.01 0.00 0.00 72.50 71.82 3m3r s THR 27 CO 0.05 0.21 -0.09 -0.47 -0.69 0.00 0.00 174.62 173.64 3m3r s TYR 28 N 0.58 3.06 -0.67 4.92 5.04 -1.26 -0.31 117.35 128.70 3m3r s TYR 28 Ca -0.08 -1.67 -0.20 0.00 -2.44 0.00 0.00 57.07 52.68 3m3r s TYR 28 Cb -0.11 -2.02 0.10 0.00 0.35 0.00 0.00 41.96 40.27 3m3r s TYR 28 CO 0.00 -0.76 0.86 0.34 -1.34 0.00 0.00 175.55 174.66 3m3r s ASP 29 N 1.29 6.26 0.12 4.32 3.68 -0.18 -4.92 116.67 127.24 3m3r s ASP 29 Ca -0.00 -1.39 -0.18 0.00 2.13 0.00 0.00 52.55 53.10 3m3r s ASP 29 Cb -0.17 -2.36 -0.05 0.00 -1.45 0.00 0.00 42.92 38.90 3m3r s ASP 29 CO -0.06 -1.22 1.70 0.50 0.13 0.00 0.00 175.17 176.22 3m3r h LYS 30 N 9.24 0.39 -0.47 4.34 3.64 -1.97 0.35 116.57 132.09 3m3r h LYS 30 Ca -0.22 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.17 3m3r h LYS 30 Cb 1.07 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.76 3m3r h LYS 30 CO 1.12 0.37 0.16 1.49 -2.27 0.00 0.00 179.45 180.32 3m3r h GLU 31 N 0.32 0.32 -0.01 1.90 4.81 -1.98 -2.33 114.58 117.60 3m3r h GLU 31 Ca 0.10 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3m3r h GLU 31 Cb 0.10 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3m3r h GLU 31 CO -0.01 0.21 -0.10 0.09 -0.73 0.00 0.00 179.01 178.47 3m3r n ASN 32 N -5.02 1.33 -3.39 1.04 3.02 -1.14 -4.97 115.26 106.13 3m3r n ASN 32 Ca 0.04 -1.27 -0.19 0.00 -0.03 0.00 0.00 54.58 53.13 3m3r n ASN 32 Cb 0.19 0.05 0.06 0.00 -0.61 0.00 0.00 39.78 39.47 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 1.24 -1.00 2.77 7.41 0.00 0.11 -4.81 105.19 110.91 3m3r n GLY 33 Ca 0.16 0.48 -0.22 0.00 0.00 0.00 0.00 46.02 46.45 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 -4.94 0.49 -0.52 1.61 -1.94 -0.73 -2.52 119.30 110.76 3m3r s MET 34 Ca 0.39 0.13 -0.18 0.00 -1.71 0.00 0.00 55.69 54.31 3m3r s MET 34 Cb -0.07 -0.84 0.07 0.00 2.01 0.00 0.00 34.83 36.00 3m3r s MET 34 CO 0.77 -0.27 0.60 -1.58 -0.01 0.00 0.00 175.02 174.53 3m3r s HIS 35 N 1.81 3.08 -0.20 -0.03 2.46 -0.79 -1.01 115.29 120.61 3m3r s HIS 35 Ca 0.02 -0.71 -0.08 0.00 0.47 0.00 0.00 55.06 54.77 3m3r s HIS 35 Cb -0.13 -3.58 -0.04 0.00 -0.13 0.00 0.00 32.58 28.70 3m3r s HIS 35 CO -0.04 -1.05 0.07 0.15 -2.47 0.00 0.00 174.74 171.40 3m3r s LYS 36 N 2.45 3.91 -0.04 2.88 1.02 0.57 -1.17 119.74 129.36 3m3r s LYS 36 Ca 0.12 -0.37 0.02 0.00 0.02 0.00 0.00 55.97 55.76 3m3r s LYS 36 Cb -0.21 -3.26 0.01 0.00 -0.52 0.00 0.00 37.83 33.85 3m3r s LYS 36 CO 0.10 0.15 -0.06 0.21 -0.92 0.00 0.00 175.35 174.82 3m3r s LYS 37 N 0.71 0.90 -0.13 1.68 2.36 -1.25 -0.17 119.74 123.84 3m3r s LYS 37 Ca 0.04 -0.19 -0.00 0.00 -2.55 0.00 0.00 55.97 53.26 3m3r s LYS 37 Cb -0.13 -0.86 -0.01 0.00 -1.05 0.00 0.00 37.83 35.77 3m3r s LYS 37 CO 0.02 0.00 -0.12 0.08 1.55 0.00 0.00 175.35 176.87 3m3r s VAL 38 N 0.59 3.09 -0.24 4.02 1.01 0.08 -1.01 120.40 127.94 3m3r s VAL 38 Ca -0.09 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.27 3m3r s VAL 38 Cb -0.12 -2.30 0.05 0.00 0.00 0.00 0.00 36.38 34.01 3m3r s VAL 38 CO 0.01 0.52 -0.11 0.12 0.00 0.00 0.00 175.10 175.63 3m3r s PHE 39 N 0.40 3.02 0.35 5.22 5.36 -0.39 -1.21 117.98 130.73 3m3r s PHE 39 Ca -0.10 -2.11 0.08 0.00 -0.96 0.00 0.00 56.93 53.85 3m3r s PHE 39 Cb -0.16 -1.86 -0.05 0.00 -0.34 0.00 0.00 43.02 40.62 3m3r s PHE 39 CO 0.05 -0.85 0.13 1.52 -1.46 0.00 0.00 175.22 174.61 3m3r s TYR 40 N 1.19 2.66 -0.21 10.12 1.13 -0.88 0.12 117.35 131.48 3m3r s TYR 40 Ca -0.06 -0.43 -0.07 0.00 -1.41 0.00 0.00 57.07 55.10 3m3r s TYR 40 Cb -0.19 -1.67 0.10 0.00 -1.10 0.00 0.00 41.96 39.10 3m3r s TYR 40 CO -0.06 0.34 0.44 -1.12 -2.51 0.00 0.00 175.55 172.64 3m3r s SER 41 N -3.83 -0.35 -0.16 -0.18 0.01 -0.01 -2.49 113.70 106.68 3m3r s SER 41 Ca 0.38 1.03 -0.18 0.00 1.31 0.00 0.00 55.95 58.48 3m3r s SER 41 Cb -0.01 1.46 -0.04 0.00 0.21 0.00 0.00 66.02 67.64 3m3r s SER 41 CO 0.22 -0.23 0.51 -0.36 0.41 0.00 0.00 173.24 173.79 3m3r s PHE 42 N 2.65 3.43 -0.36 2.43 0.40 0.82 -0.93 117.98 126.42 3m3r s PHE 42 Ca -0.01 0.83 0.01 0.00 -0.60 0.00 0.00 56.93 57.16 3m3r s PHE 42 Cb -0.12 -2.63 0.11 0.00 0.51 0.00 0.00 43.02 40.89 3m3r s PHE 42 CO -0.14 0.01 0.12 0.42 0.70 0.00 0.00 175.22 176.33 3m3r s ILE 43 N 1.22 1.46 -1.08 0.64 1.01 0.50 -2.48 121.20 122.48 3m3r s ILE 43 Ca 0.25 -2.00 -0.05 0.00 0.00 0.00 0.00 60.65 58.86 3m3r s ILE 43 Cb -0.15 -2.08 0.30 0.00 0.01 0.00 0.00 42.46 40.54 3m3r s ILE 43 CO 0.10 -0.71 1.42 -0.67 0.00 0.00 0.00 174.94 175.09 3m3r n ASP 44 N 4.33 6.28 -4.58 3.58 4.64 -1.26 -1.68 116.55 127.85 3m3r n ASP 44 Ca 0.02 -3.36 -0.42 0.00 -1.38 0.00 0.00 54.79 49.65 3m3r n ASP 44 Cb 0.40 -1.28 -0.02 0.00 -1.04 0.00 0.00 41.12 39.17 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 -1.33 6.32 0.29 1.67 3.68 -1.26 -4.90 116.67 121.13 3m3r s ASP 45 Ca 0.31 0.35 0.17 0.00 2.13 0.00 0.00 52.55 55.52 3m3r s ASP 45 Cb 0.03 -2.55 0.94 0.00 -1.45 0.00 0.00 42.92 39.89 3m3r s ASP 45 CO 0.08 -1.54 1.50 0.29 0.13 0.00 0.00 175.17 175.64 3m3r n LYS 46 N 8.39 0.11 -0.21 4.34 4.76 -1.26 -0.41 118.16 133.88 3m3r n LYS 46 Ca 0.12 0.60 0.10 0.00 -2.87 0.00 0.00 58.31 56.26 3m3r n LYS 46 Cb 0.49 -1.94 0.26 0.00 -1.84 0.00 0.00 35.03 32.00 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 -2.12 2.73 -4.65 4.39 3.02 -1.26 -4.83 115.26 112.53 3m3r n ASN 47 Ca -0.01 -1.94 -0.32 0.00 -0.03 0.00 0.00 54.58 52.28 3m3r n ASN 47 Cb 0.10 -0.28 -0.09 0.00 -0.61 0.00 0.00 39.78 38.90 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 -1.44 2.99 -1.75 3.10 2.46 0.45 -5.02 115.29 116.08 3m3r s HIS 48 Ca 0.36 0.02 0.19 0.00 0.47 0.00 0.00 55.06 56.10 3m3r s HIS 48 Cb 0.19 -1.63 1.07 0.00 -0.13 0.00 0.00 32.58 32.08 3m3r s HIS 48 CO 0.26 0.43 1.56 0.27 -2.47 0.00 0.00 174.74 174.80 3m3r n ASN 49 N 1.31 0.00 -3.64 9.88 6.94 -1.26 -4.82 115.26 123.66 3m3r n ASN 49 Ca -0.14 -0.33 -0.11 0.00 -0.02 0.00 0.00 54.58 53.97 3m3r n ASN 49 Cb 0.52 -0.12 -0.05 0.00 -2.36 0.00 0.00 39.78 37.77 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 -2.25 1.02 0.70 -3.83 1.02 -1.26 -4.70 119.74 110.44 3m3r s LYS 50 Ca 0.24 -0.61 -0.12 0.00 0.02 0.00 0.00 55.97 55.50 3m3r s LYS 50 Cb 0.13 0.45 0.02 0.00 -0.52 0.00 0.00 37.83 37.91 3m3r s LYS 50 CO 0.25 -0.39 1.08 0.15 -0.92 0.00 0.00 175.35 175.53 3m3r s LYS 51 N -3.41 2.71 -0.00 1.68 1.02 0.30 -4.65 119.74 117.39 3m3r s LYS 51 Ca 0.01 1.14 0.01 0.00 0.02 0.00 0.00 55.97 57.15 3m3r s LYS 51 Cb 0.01 -1.95 -0.00 0.00 -0.52 0.00 0.00 37.83 35.36 3m3r s LYS 51 CO -0.09 -1.29 -0.03 -1.17 -0.92 0.00 0.00 175.35 171.85 3m3r s LEU 52 N -5.43 2.02 -0.05 3.17 1.98 -0.67 -2.02 118.68 117.68 3m3r s LEU 52 Ca 0.61 -0.08 0.02 0.00 -2.89 0.00 0.00 54.13 51.79 3m3r s LEU 52 Cb -0.17 -0.15 0.02 0.00 0.66 0.00 0.00 46.19 46.55 3m3r s LEU 52 CO 0.51 0.02 -0.07 -0.22 -1.89 0.00 0.00 176.35 174.69 3m3r s LEU 53 N -0.14 1.52 -0.21 -0.68 2.96 0.09 -0.37 118.68 121.84 3m3r s LEU 53 Ca 0.00 -0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 53.70 3m3r s LEU 53 Cb -0.02 -0.57 -0.01 0.00 0.50 0.00 0.00 46.19 46.10 3m3r s LEU 53 CO -0.00 -0.01 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.28 3m3r s VAL 54 N 0.69 3.30 -0.26 1.68 1.01 -0.11 -0.57 120.40 126.15 3m3r s VAL 54 Ca -0.11 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 3m3r s VAL 54 Cb -0.14 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.76 3m3r s VAL 54 CO 0.01 0.44 0.01 -0.63 0.00 0.00 0.00 175.10 174.93 3m3r s ILE 55 N 1.37 3.52 -0.31 2.22 1.01 0.33 -0.83 121.20 128.50 3m3r s ILE 55 Ca 0.04 -0.72 -0.09 0.00 0.00 0.00 0.00 60.65 59.88 3m3r s ILE 55 Cb -0.14 -2.75 -0.00 0.00 0.01 0.00 0.00 42.46 39.57 3m3r s ILE 55 CO -0.03 0.20 0.15 -0.13 0.00 0.00 0.00 174.94 175.13 3m3r s ARG 56 N 1.45 3.30 -0.30 2.79 0.52 0.12 -1.12 118.95 125.71 3m3r s ARG 56 Ca 0.03 -0.74 -0.17 0.00 -0.52 0.00 0.00 55.73 54.32 3m3r s ARG 56 Cb -0.16 -3.55 -0.02 0.00 0.52 0.00 0.00 34.95 31.73 3m3r s ARG 56 CO -0.01 -0.43 0.48 0.95 0.02 0.00 0.00 175.30 176.32 3m3r s THR 57 N 1.60 5.07 0.00 0.02 -4.23 -0.40 -1.26 115.64 116.44 3m3r s THR 57 Ca 0.04 0.62 0.00 0.00 -1.18 0.00 0.00 61.69 61.17 3m3r s THR 57 Cb -0.17 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.82 3m3r s THR 57 CO 0.06 -0.01 0.00 0.29 -0.54 0.00 0.00 174.62 174.42 3m3r n LYS 58 N 5.57 1.31 0.00 3.99 5.02 -0.18 -2.59 118.16 131.29 3m3r n LYS 58 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 3m3r n LYS 58 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.51 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 2.39 -1.07 3.58 0.72 0.00 -1.26 -3.77 105.19 105.78 3m3r n GLY 59 Ca 0.00 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 3m3r n GLY 59 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3m3r s THR 60 N 0.00 -0.00 -0.26 2.61 -1.32 -0.32 -3.17 115.64 113.18 3m3r s THR 60 Ca 0.00 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.35 3m3r s THR 60 Cb 0.00 -0.94 -0.04 0.00 -1.51 0.00 0.00 72.50 70.01 3m3r s THR 60 CO 0.00 0.00 0.28 -0.63 -2.21 0.00 0.00 174.62 172.06 3m3r s ILE 61 N 0.44 5.25 0.55 5.08 1.01 0.08 -1.88 121.20 131.74 3m3r s ILE 61 Ca -0.01 0.39 -0.21 0.00 0.00 0.00 0.00 60.65 60.82 3m3r s ILE 61 Cb -0.05 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 3m3r s ILE 61 CO -0.00 0.23 1.31 0.00 0.00 0.00 0.00 174.94 176.48 3m3r s ALA 62 N 1.71 2.76 -0.01 9.38 0.00 -1.05 -1.16 121.76 133.40 3m3r s ALA 62 Ca 0.12 1.23 -0.22 0.00 0.00 0.00 0.00 51.96 53.09 3m3r s ALA 62 Cb -0.15 -3.53 -0.13 0.00 0.00 0.00 0.00 23.12 19.31 3m3r s ALA 62 CO 0.09 -1.28 0.97 0.78 0.00 0.00 0.00 175.76 176.32 3m3r h GLY 63 N 1.38 -0.71 -2.65 0.00 0.00 -0.59 -3.45 103.07 97.06 3m3r h GLY 63 Ca -0.51 0.26 -0.11 0.00 0.00 0.00 0.00 47.33 46.98 3m3r h GLY 63 CO 0.57 -0.26 -0.21 -1.06 0.00 0.00 0.00 176.54 175.58 3m3r n GLN 64 N -5.24 -2.20 -2.44 4.80 6.02 -0.94 -4.31 117.38 113.07 3m3r n GLN 64 Ca -0.10 0.25 -0.41 0.00 -0.01 0.00 0.00 57.00 56.73 3m3r n GLN 64 Cb 0.30 -3.49 -0.03 0.00 1.02 0.00 0.00 30.24 28.04 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 -3.10 2.26 -0.04 1.08 5.04 -0.91 -4.62 117.35 117.06 3m3r s TYR 65 Ca 0.11 0.31 -0.13 0.00 -2.44 0.00 0.00 57.07 54.92 3m3r s TYR 65 Cb -0.05 -4.47 0.02 0.00 0.35 0.00 0.00 41.96 37.82 3m3r s TYR 65 CO 0.21 -2.00 0.29 1.03 -1.34 0.00 0.00 175.55 173.74 3m3r s ARG 66 N 5.68 0.56 -0.19 4.97 0.52 -0.91 -4.92 118.95 124.66 3m3r s ARG 66 Ca 0.46 -0.05 -0.29 0.00 -0.52 0.00 0.00 55.73 55.33 3m3r s ARG 66 Cb -0.09 0.25 -0.01 0.00 0.52 0.00 0.00 34.95 35.62 3m3r s ARG 66 CO 0.21 -0.13 1.25 0.08 0.02 0.00 0.00 175.30 176.72 3m3r s VAL 67 N -0.92 4.30 -0.06 3.52 1.01 -1.26 -1.58 120.40 125.41 3m3r s VAL 67 Ca -0.10 1.56 0.07 0.00 0.00 0.00 0.00 61.98 63.51 3m3r s VAL 67 Cb -0.05 -4.05 -0.10 0.00 0.00 0.00 0.00 36.38 32.19 3m3r s VAL 67 CO 0.03 -0.18 0.06 0.00 0.00 0.00 0.00 175.10 175.01 3m3r n TYR 68 N 6.71 0.00 -4.34 5.22 4.11 -0.48 -4.98 117.16 123.40 3m3r n TYR 68 Ca 0.14 0.00 -0.27 0.00 -0.00 0.00 0.00 57.90 57.76 3m3r n TYR 68 Cb 0.45 -0.31 -0.11 0.00 -0.00 0.00 0.00 39.34 39.37 3m3r n TYR 68 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 3m3r s SER 69 N -3.65 3.90 -0.33 9.48 0.15 -1.13 -4.96 113.70 117.16 3m3r s SER 69 Ca -0.03 -0.67 -0.01 0.00 0.70 0.00 0.00 55.95 55.93 3m3r s SER 69 Cb 0.03 -0.53 0.19 0.00 -1.71 0.00 0.00 66.02 64.00 3m3r s SER 69 CO 0.30 0.13 0.83 -0.70 1.20 0.00 0.00 173.24 174.99 3m3r s GLU 70 N -2.62 0.43 -0.94 5.44 2.12 -1.26 -1.29 118.70 120.58 3m3r s GLU 70 Ca 0.22 0.08 -0.10 0.00 0.36 0.00 0.00 54.97 55.53 3m3r s GLU 70 Cb -0.09 0.11 0.24 0.00 0.26 0.00 0.00 34.13 34.65 3m3r s GLU 70 CO 0.12 -0.70 0.89 -1.21 -0.54 0.00 0.00 175.26 173.83 3m3r s GLU 71 N 2.39 3.77 0.08 4.30 8.01 -0.38 -4.94 118.70 131.94 3m3r s GLU 71 Ca 0.17 -2.85 0.00 0.00 0.01 0.00 0.00 54.97 52.30 3m3r s GLU 71 Cb -0.03 -4.41 0.00 0.00 -4.31 0.00 0.00 34.13 25.38 3m3r s GLU 71 CO -0.17 -1.26 0.00 0.41 0.01 0.00 0.00 175.26 174.24 3m3r n GLY 72 N 3.28 -2.86 0.00 -1.39 0.00 -1.26 -3.25 105.19 99.71 3m3r n GLY 72 Ca 0.18 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.94 1.20 0.65 4.61 0.00 -1.26 -0.81 120.51 122.96 3m3r n ALA 73 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.50 3m3r n ALA 73 Cb 0.08 -0.83 -0.04 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.98 1.09 -3.91 0.00 5.03 -1.26 -0.44 115.26 114.79 3m3r n ASN 74 Ca 0.00 -1.05 -0.15 0.00 0.87 0.00 0.00 54.58 54.25 3m3r n ASN 74 Cb 0.01 0.73 -0.15 0.00 -1.02 0.00 0.00 39.78 39.36 3m3r n ASN 74 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3m3r s LYS 75 N -2.03 0.31 -0.20 3.52 -0.14 0.01 -1.42 119.74 119.79 3m3r s LYS 75 Ca 0.09 -0.09 -0.28 0.00 -1.36 0.00 0.00 55.97 54.33 3m3r s LYS 75 Cb 0.11 -0.33 0.12 0.00 -1.68 0.00 0.00 37.83 36.04 3m3r s LYS 75 CO 0.47 0.03 0.96 0.45 -0.76 0.00 0.00 175.35 176.50 3m3r s SER 76 N 0.15 -0.45 0.05 2.83 0.15 -0.96 -1.25 113.70 114.23 3m3r s SER 76 Ca -0.01 0.67 0.09 0.00 0.70 0.00 0.00 55.95 57.39 3m3r s SER 76 Cb -0.04 0.61 -0.03 0.00 -1.71 0.00 0.00 66.02 64.85 3m3r s SER 76 CO -0.00 -0.30 -0.24 -0.83 1.20 0.00 0.00 173.24 173.07 3m3r s GLY 77 N -0.55 1.30 -0.06 9.45 0.00 -0.41 -1.20 107.32 115.85 3m3r s GLY 77 Ca -0.01 -1.20 0.06 0.00 0.00 0.00 0.00 44.72 43.57 3m3r s GLY 77 CO -0.00 -1.11 -0.25 -2.27 0.00 0.00 0.00 173.10 169.47 3m3r s LEU 78 N -1.29 2.07 -0.19 0.66 2.96 -0.46 -1.38 118.68 121.05 3m3r s LEU 78 Ca 0.10 -0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 53.44 3m3r s LEU 78 Cb -0.10 -1.36 -0.03 0.00 0.50 0.00 0.00 46.19 45.20 3m3r s LEU 78 CO 0.02 0.24 0.04 0.00 -1.32 0.00 0.00 176.35 175.33 3m3r s ALA 79 N -0.16 3.24 0.07 5.97 0.00 -0.62 -0.09 121.76 130.18 3m3r s ALA 79 Ca -0.04 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.09 3m3r s ALA 79 Cb -0.14 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.10 3m3r s ALA 79 CO 0.04 0.05 -0.07 1.67 0.00 0.00 0.00 175.76 177.44 3m3r s TRP 80 N 0.63 0.80 -0.38 0.00 1.48 -0.98 -2.15 118.94 118.33 3m3r s TRP 80 Ca 0.02 -0.75 -0.28 0.00 -1.06 0.00 0.00 56.10 54.02 3m3r s TRP 80 Cb -0.13 -0.47 0.02 0.00 -1.16 0.00 0.00 33.47 31.73 3m3r s TRP 80 CO 0.02 -0.13 1.06 -1.25 -4.06 0.00 0.00 176.95 172.59 3m3r s PRO 81 N -2.92 3.90 0.04 3.25 0.04 -1.26 -0.37 135.00 137.67 3m3r s PRO 81 Ca 0.03 0.79 0.22 0.00 0.04 0.00 0.00 61.00 62.08 3m3r s PRO 81 Cb -0.01 -3.81 -0.13 0.00 0.04 0.00 0.00 34.50 30.59 3m3r s PRO 81 CO -0.03 -1.07 0.82 -1.13 0.04 0.00 0.00 177.00 175.63 3m3r n SER 82 N 7.17 0.48 -3.62 6.66 3.41 0.15 -4.75 113.62 123.12 3m3r n SER 82 Ca 0.11 -0.15 -0.15 0.00 -0.26 0.00 0.00 58.87 58.42 3m3r n SER 82 Cb 0.48 1.19 -0.07 0.00 -0.26 0.00 0.00 64.21 65.55 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 -3.31 -1.57 0.03 7.33 0.00 -1.04 0.39 121.76 123.60 3m3r s ALA 83 Ca -0.01 1.46 0.08 0.00 0.00 0.00 0.00 51.96 53.49 3m3r s ALA 83 Cb 0.14 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 3m3r s ALA 83 CO 0.85 -0.32 -0.23 -0.06 0.00 0.00 0.00 175.76 176.00 3m3r s PHE 84 N -0.43 1.98 0.01 0.00 0.08 -0.28 -0.57 117.98 118.76 3m3r s PHE 84 Ca -0.06 -0.38 -0.07 0.00 0.12 0.00 0.00 56.93 56.54 3m3r s PHE 84 Cb -0.03 -1.20 0.00 0.00 -0.57 0.00 0.00 43.02 41.22 3m3r s PHE 84 CO 0.05 0.08 0.14 0.15 -0.10 0.00 0.00 175.22 175.54 3m3r s LYS 85 N -1.08 0.51 -0.05 0.44 1.02 0.08 -0.50 119.74 120.17 3m3r s LYS 85 Ca 0.09 -0.44 -0.02 0.00 0.02 0.00 0.00 55.97 55.62 3m3r s LYS 85 Cb -0.09 0.21 0.03 0.00 -0.52 0.00 0.00 37.83 37.46 3m3r s LYS 85 CO 0.01 -0.12 0.08 0.08 -0.92 0.00 0.00 175.35 174.48 3m3r s VAL 86 N -1.55 -0.10 0.02 3.17 1.01 -0.98 -0.15 120.40 121.82 3m3r s VAL 86 Ca -0.13 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.16 3m3r s VAL 86 Cb -0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.13 3m3r s VAL 86 CO 0.01 0.12 -0.09 -1.10 0.00 0.00 0.00 175.10 174.04 3m3r s GLN 87 N 1.59 0.62 0.01 2.72 -0.21 -0.35 -1.37 119.66 122.67 3m3r s GLN 87 Ca -0.03 -0.53 0.07 0.00 0.02 0.00 0.00 55.36 54.88 3m3r s GLN 87 Cb -0.12 -0.54 -0.02 0.00 1.00 0.00 0.00 33.01 33.33 3m3r s GLN 87 CO -0.04 0.13 -0.21 -0.51 -2.12 0.00 0.00 175.29 172.54 3m3r s LEU 88 N -0.87 2.10 -0.16 2.90 1.02 -0.43 -1.01 118.68 122.24 3m3r s LEU 88 Ca -0.02 -0.45 -0.07 0.00 0.02 0.00 0.00 54.13 53.61 3m3r s LEU 88 Cb -0.06 -1.04 0.07 0.00 0.02 0.00 0.00 46.19 45.17 3m3r s LEU 88 CO 0.00 0.22 0.36 -1.58 0.02 0.00 0.00 176.35 175.37 3m3r s GLN 89 N -0.80 0.29 -0.14 1.70 0.74 -0.28 -2.11 119.66 119.06 3m3r s GLN 89 Ca 0.08 0.80 -0.19 0.00 0.05 0.00 0.00 55.36 56.10 3m3r s GLN 89 Cb -0.08 0.05 -0.04 0.00 1.10 0.00 0.00 33.01 34.04 3m3r s GLN 89 CO 0.00 -0.21 0.54 -0.51 -0.55 0.00 0.00 175.29 174.56 3m3r s LEU 90 N 1.89 4.23 0.45 3.68 1.43 0.18 -1.93 118.68 128.61 3m3r s LEU 90 Ca -0.05 0.83 -0.24 0.00 -1.03 0.00 0.00 54.13 53.64 3m3r s LEU 90 Cb -0.10 -2.78 -0.09 0.00 0.03 0.00 0.00 46.19 43.25 3m3r s LEU 90 CO -0.11 -0.10 1.14 -2.65 0.23 0.00 0.00 176.35 174.86 3m3r n PRO 91 N 4.15 1.57 -0.14 1.29 -0.02 -1.26 -4.81 135.00 135.79 3m3r n PRO 91 Ca -0.05 0.57 0.28 0.00 -2.02 0.00 0.00 63.50 62.28 3m3r n PRO 91 Cb 0.51 -2.24 0.71 0.00 -0.02 0.00 0.00 33.50 32.46 3m3r n PRO 91 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3m3r h ASP 92 N 1.65 0.00 0.55 2.55 3.58 -1.96 -1.55 116.42 121.25 3m3r h ASP 92 Ca -0.47 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.98 3m3r h ASP 92 Cb 1.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.37 3m3r h ASP 92 CO 0.57 0.00 -0.13 -0.46 -2.88 0.00 0.00 179.24 176.34 3m3r n ASN 93 N -3.94 0.31 -4.75 2.28 6.94 -1.26 -4.88 115.26 109.96 3m3r n ASN 93 Ca 0.18 -0.23 -0.41 0.00 -0.02 0.00 0.00 54.58 54.10 3m3r n ASN 93 Cb 1.02 -0.15 -0.02 0.00 -2.36 0.00 0.00 39.78 38.27 3m3r n ASN 93 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3m3r s GLU 94 N -2.68 4.29 0.34 -3.83 0.41 -0.58 -4.91 118.70 111.73 3m3r s GLU 94 Ca 0.23 2.28 0.22 0.00 -0.41 0.00 0.00 54.97 57.28 3m3r s GLU 94 Cb 0.19 -3.10 0.19 0.00 -1.78 0.00 0.00 34.13 29.63 3m3r s GLU 94 CO 0.52 -0.37 1.40 -0.39 -0.49 0.00 0.00 175.26 175.93 3m3r h VAL 95 N 3.45 0.13 -4.13 2.63 -1.51 -1.90 -3.46 116.25 111.46 3m3r h VAL 95 Ca -0.47 -1.20 -0.53 0.00 -1.23 0.00 0.00 66.70 63.28 3m3r h VAL 95 Cb 1.22 1.92 0.13 0.00 -2.13 0.00 0.00 31.29 32.43 3m3r h VAL 95 CO 0.75 0.07 0.44 0.00 -1.23 0.00 0.00 177.57 177.61 3m3r s ALA 96 N -3.21 2.41 0.08 5.19 0.00 -1.26 -4.87 121.76 120.10 3m3r s ALA 96 Ca 0.04 0.93 0.02 0.00 0.00 0.00 0.00 51.96 52.95 3m3r s ALA 96 Cb 0.07 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 3m3r s ALA 96 CO 0.72 -1.39 -0.07 -0.65 0.00 0.00 0.00 175.76 174.37 3m3r s GLN 97 N -3.58 0.71 -0.07 0.00 -0.21 -0.64 -4.94 119.66 110.93 3m3r s GLN 97 Ca 0.76 -1.13 -0.28 0.00 0.02 0.00 0.00 55.36 54.73 3m3r s GLN 97 Cb -0.29 -0.20 -0.02 0.00 1.00 0.00 0.00 33.01 33.50 3m3r s GLN 97 CO 0.38 -0.00 0.90 0.42 -2.12 0.00 0.00 175.29 174.86 3m3r s ILE 98 N -2.88 4.89 -0.08 1.08 1.01 -0.62 -0.99 121.20 123.60 3m3r s ILE 98 Ca 0.04 1.85 0.06 0.00 0.00 0.00 0.00 60.65 62.60 3m3r s ILE 98 Cb 0.00 -4.23 -0.09 0.00 0.01 0.00 0.00 42.46 38.16 3m3r s ILE 98 CO -0.03 0.11 0.01 -0.24 0.00 0.00 0.00 174.94 174.79 3m3r n SER 99 N 4.42 3.09 -3.60 3.58 2.88 -0.19 -4.63 113.62 119.17 3m3r n SER 99 Ca 0.05 -0.01 -0.09 0.00 -1.33 0.00 0.00 58.87 57.49 3m3r n SER 99 Cb 0.50 0.55 -0.02 0.00 -0.75 0.00 0.00 64.21 64.49 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 -4.13 -0.01 -0.04 -3.46 3.68 -1.20 -5.01 116.67 106.50 3m3r s ASP 100 Ca -0.05 -0.93 -0.29 0.00 2.13 0.00 0.00 52.55 53.40 3m3r s ASP 100 Cb 0.03 0.71 0.11 0.00 -1.45 0.00 0.00 42.92 42.31 3m3r s ASP 100 CO 0.31 -1.37 0.90 -0.72 0.13 0.00 0.00 175.17 174.41 3m3r s TYR 101 N -3.45 -0.37 -0.22 -5.34 1.13 -1.26 -1.50 117.35 106.34 3m3r s TYR 101 Ca 0.18 0.34 -0.23 0.00 -1.41 0.00 0.00 57.07 55.95 3m3r s TYR 101 Cb -0.04 0.51 0.06 0.00 -1.10 0.00 0.00 41.96 41.40 3m3r s TYR 101 CO 0.10 -0.51 0.64 -0.47 -2.51 0.00 0.00 175.55 172.80 3m3r s TYR 102 N -2.62 -0.69 0.85 -3.49 6.14 -0.13 -4.68 117.35 112.73 3m3r s TYR 102 Ca 0.03 1.65 -0.12 0.00 0.64 0.00 0.00 57.07 59.27 3m3r s TYR 102 Cb -0.01 0.25 0.10 0.00 0.42 0.00 0.00 41.96 42.72 3m3r s TYR 102 CO -0.06 -0.36 1.13 -1.25 0.64 0.00 0.00 175.55 175.65 3m3r s PRO 103 N 0.19 1.68 0.43 4.97 0.04 -1.26 -0.14 135.00 140.91 3m3r s PRO 103 Ca -0.01 0.40 0.01 0.00 0.04 0.00 0.00 61.00 61.43 3m3r s PRO 103 Cb -0.04 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.61 3m3r s PRO 103 CO 0.02 -1.85 0.04 0.54 0.04 0.00 0.00 177.00 175.79 3m3r n ARG 104 N -3.55 0.94 -2.75 4.56 1.74 -1.26 -4.71 116.66 111.64 3m3r n ARG 104 Ca 0.07 -3.11 -0.41 0.00 -0.77 0.00 0.00 57.85 53.63 3m3r n ARG 104 Cb 0.58 0.77 -0.04 0.00 -1.02 0.00 0.00 32.46 32.76 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 -3.41 7.41 0.16 0.55 0.01 -1.26 -4.74 114.94 113.65 3m3r s ASN 105 Ca 0.03 1.69 0.06 0.00 -0.71 0.00 0.00 52.86 53.93 3m3r s ASN 105 Cb -0.00 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 3m3r s ASN 105 CO 0.02 -0.15 0.07 -0.94 -1.51 0.00 0.00 177.10 174.59 3m3r s SER 106 N 0.47 5.17 -0.19 -1.22 1.04 -1.26 -5.07 113.70 112.65 3m3r s SER 106 Ca 0.48 -0.25 -0.29 0.00 0.48 0.00 0.00 55.95 56.38 3m3r s SER 106 Cb -0.22 -1.25 -0.01 0.00 0.10 0.00 0.00 66.02 64.64 3m3r s SER 106 CO 0.28 0.08 1.26 -0.63 0.98 0.00 0.00 173.24 175.21 3m3r s ILE 107 N -1.72 4.28 0.57 -1.02 1.01 -1.26 -5.01 121.20 118.05 3m3r s ILE 107 Ca 0.29 1.53 -0.14 0.00 0.00 0.00 0.00 60.65 62.33 3m3r s ILE 107 Cb -0.10 -4.04 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 3m3r s ILE 107 CO 0.21 -0.19 1.02 -1.81 0.00 0.00 0.00 174.94 174.17 3m3r s ASP 108 N 2.07 6.24 0.40 3.58 1.01 -1.26 -5.08 116.67 123.64 3m3r s ASP 108 Ca 0.54 1.58 0.04 0.00 0.71 0.00 0.00 52.55 55.43 3m3r s ASP 108 Cb -0.21 -2.50 -0.02 0.00 1.01 0.00 0.00 42.92 41.20 3m3r s ASP 108 CO 0.15 -0.86 0.15 0.42 0.21 0.00 0.00 175.17 175.25 3m3r s THR 109 N -2.77 0.50 0.05 -1.27 -4.23 -1.26 -5.17 115.64 101.49 3m3r s THR 109 Ca 0.59 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.86 3m3r s THR 109 Cb -0.12 -2.34 0.06 0.00 1.34 0.00 0.00 72.50 71.43 3m3r s THR 109 CO 0.40 0.00 0.54 -1.59 -0.54 0.00 0.00 174.62 173.44 3m3r s LYS 110 N -3.67 1.07 -0.11 3.99 -2.85 -1.26 -4.76 119.74 112.15 3m3r s LYS 110 Ca 0.25 -0.22 -0.04 0.00 -1.00 0.00 0.00 55.97 54.96 3m3r s LYS 110 Cb 0.02 0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 36.25 3m3r s LYS 110 CO 0.16 -0.39 0.04 -1.21 0.10 0.00 0.00 175.35 174.05 3m3r s GLU 111 N -2.49 3.27 -0.11 1.78 2.02 0.21 -4.95 118.70 118.42 3m3r s GLU 111 Ca -0.05 -0.33 0.00 0.00 0.02 0.00 0.00 54.97 54.61 3m3r s GLU 111 Cb -0.01 -2.96 0.02 0.00 0.10 0.00 0.00 34.13 31.29 3m3r s GLU 111 CO -0.02 0.65 -0.10 -0.47 0.02 0.00 0.00 175.26 175.33 3m3r s TYR 112 N -0.70 1.65 -0.18 1.61 6.14 -1.26 -0.13 117.35 124.48 3m3r s TYR 112 Ca 0.12 -0.82 -0.03 0.00 0.64 0.00 0.00 57.07 56.98 3m3r s TYR 112 Cb -0.12 -1.29 -0.01 0.00 0.42 0.00 0.00 41.96 40.96 3m3r s TYR 112 CO 0.02 -0.51 -0.07 -0.06 0.64 0.00 0.00 175.55 175.58 3m3r s PHE 113 N 1.45 2.92 -0.19 4.97 0.40 0.87 -4.96 117.98 123.44 3m3r s PHE 113 Ca 0.01 -0.78 0.01 0.00 -0.60 0.00 0.00 56.93 55.57 3m3r s PHE 113 Cb -0.13 -2.00 0.02 0.00 0.51 0.00 0.00 43.02 41.42 3m3r s PHE 113 CO -0.06 -0.38 -0.18 -1.54 0.70 0.00 0.00 175.22 173.75 3m3r s SER 114 N 0.98 3.29 -0.12 1.36 1.04 -1.26 0.14 113.70 119.13 3m3r s SER 114 Ca -0.01 -0.67 0.02 0.00 0.48 0.00 0.00 55.95 55.77 3m3r s SER 114 Cb -0.15 -1.50 -0.01 0.00 0.10 0.00 0.00 66.02 64.46 3m3r s SER 114 CO -0.00 -0.01 -0.18 -0.89 0.98 0.00 0.00 173.24 173.14 3m3r s THR 115 N 1.29 2.64 -0.19 2.02 2.01 0.25 -4.99 115.64 118.67 3m3r s THR 115 Ca 0.04 -0.81 -0.00 0.00 0.31 0.00 0.00 61.69 61.23 3m3r s THR 115 Cb -0.13 -2.07 0.01 0.00 0.01 0.00 0.00 72.50 70.32 3m3r s THR 115 CO -0.12 0.54 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.97 3m3r s LEU 116 N 0.34 2.34 -0.02 4.42 2.96 -1.26 -0.86 118.68 126.60 3m3r s LEU 116 Ca -0.14 -0.58 0.01 0.00 -0.22 0.00 0.00 54.13 53.20 3m3r s LEU 116 Cb -0.17 -1.55 0.01 0.00 0.50 0.00 0.00 46.19 44.99 3m3r s LEU 116 CO 0.07 -0.01 -0.02 0.42 -1.32 0.00 0.00 176.35 175.49 3m3r s THR 117 N 1.34 0.30 0.05 3.68 -4.23 -0.60 -5.03 115.64 111.15 3m3r s THR 117 Ca 0.05 -0.06 -0.02 0.00 -1.18 0.00 0.00 61.69 60.48 3m3r s THR 117 Cb -0.13 -0.33 -0.03 0.00 1.34 0.00 0.00 72.50 73.34 3m3r s THR 117 CO -0.10 0.14 0.00 -0.72 -0.54 0.00 0.00 174.62 173.40 3m3r s TYR 118 N 0.55 0.45 0.06 3.99 1.13 -1.26 -0.75 117.35 121.52 3m3r s TYR 118 Ca -0.06 -0.96 -0.27 0.00 -1.41 0.00 0.00 57.07 54.36 3m3r s TYR 118 Cb -0.09 -0.33 0.09 0.00 -1.10 0.00 0.00 41.96 40.53 3m3r s TYR 118 CO -0.01 -0.39 0.98 0.20 -2.51 0.00 0.00 175.55 173.82 3m3r s GLY 119 N -2.82 -0.34 0.29 5.49 0.00 -0.16 -4.99 107.32 104.79 3m3r s GLY 119 Ca 0.05 0.57 0.11 0.00 0.00 0.00 0.00 44.72 45.46 3m3r s GLY 119 CO -0.10 0.16 -0.18 -1.36 0.00 0.00 0.00 173.10 171.62 3m3r s PHE 120 N -3.09 2.28 0.01 1.90 0.08 -1.26 -0.49 117.98 117.41 3m3r s PHE 120 Ca 0.10 -0.36 -0.20 0.00 0.12 0.00 0.00 56.93 56.59 3m3r s PHE 120 Cb -0.01 -1.04 0.04 0.00 -0.57 0.00 0.00 43.02 41.45 3m3r s PHE 120 CO -0.03 0.69 0.44 0.54 -0.10 0.00 0.00 175.22 176.76 3m3r s ASN 121 N -3.52 -0.34 0.45 1.36 4.22 -0.53 -4.98 114.94 111.60 3m3r s ASN 121 Ca 0.30 0.17 0.03 0.00 -2.14 0.00 0.00 52.86 51.22 3m3r s ASN 121 Cb -0.04 0.42 -0.03 0.00 1.28 0.00 0.00 41.25 42.88 3m3r s ASN 121 CO 0.15 -0.60 0.05 -0.83 -2.04 0.00 0.00 177.10 173.83 3m3r s GLY 122 N -1.68 2.74 -0.14 0.45 0.00 -1.26 -2.42 107.32 105.01 3m3r s GLY 122 Ca -0.08 -1.04 -0.30 0.00 0.00 0.00 0.00 44.72 43.29 3m3r s GLY 122 CO 0.02 -2.02 0.98 0.21 0.00 0.00 0.00 173.10 172.28 3m3r s ASN 123 N -3.73 -0.37 -0.13 1.64 2.47 0.25 -4.87 114.94 110.20 3m3r s ASN 123 Ca 0.18 0.36 -0.05 0.00 0.42 0.00 0.00 52.86 53.77 3m3r s ASN 123 Cb 0.03 0.32 0.07 0.00 -1.45 0.00 0.00 41.25 40.22 3m3r s ASN 123 CO 0.10 -0.38 0.26 -0.69 -3.72 0.00 0.00 177.10 172.67 3m3r s VAL 124 N -1.37 -0.41 0.15 -5.21 1.01 -1.26 -1.73 120.40 111.57 3m3r s VAL 124 Ca -0.01 0.26 0.09 0.00 0.00 0.00 0.00 61.98 62.32 3m3r s VAL 124 Cb -0.01 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 3m3r s VAL 124 CO 0.01 0.10 -0.15 -0.89 0.00 0.00 0.00 175.10 174.17 3m3r s THR 125 N 2.42 2.97 0.19 3.92 2.01 -1.17 -4.93 115.64 121.05 3m3r s THR 125 Ca 0.02 -1.61 -0.17 0.00 0.31 0.00 0.00 61.69 60.24 3m3r s THR 125 Cb -0.12 -2.42 0.03 0.00 0.01 0.00 0.00 72.50 69.99 3m3r s THR 125 CO -0.09 -0.01 0.49 -0.83 -0.69 0.00 0.00 174.62 173.49 3m3r s GLY 126 N -2.50 -0.06 0.03 4.40 0.00 -1.26 -1.68 107.32 106.25 3m3r s GLY 126 Ca 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 44.72 44.65 3m3r s GLY 126 CO 0.12 -0.31 0.01 0.51 0.00 0.00 0.00 173.10 173.43 3m3r s ASP 127 N -2.88 0.27 0.00 1.64 1.47 -1.20 -4.99 116.67 110.99 3m3r s ASP 127 Ca 0.09 -0.61 0.00 0.00 1.18 0.00 0.00 52.55 53.22 3m3r s ASP 127 Cb -0.00 0.16 0.00 0.00 -0.34 0.00 0.00 42.92 42.74 3m3r s ASP 127 CO -0.03 -0.42 0.66 -0.90 0.68 0.00 0.00 175.17 175.16 3m3r n ASP 128 N 1.04 0.00 0.18 2.11 3.85 -1.26 0.72 116.55 123.20 3m3r n ASP 128 Ca -0.20 0.22 0.12 0.00 -0.71 0.00 0.00 54.79 54.22 3m3r n ASP 128 Cb 0.57 -0.22 0.27 0.00 -1.35 0.00 0.00 41.12 40.39 3m3r n ASP 128 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 3m3r h THR 129 N 0.00 0.00 0.00 2.12 1.35 -2.06 -3.46 112.91 110.86 3m3r h THR 129 Ca 0.00 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 3m3r h THR 129 Cb 0.15 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 3m3r h THR 129 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3m3r n GLY 130 N 1.14 1.03 3.80 5.82 0.00 0.22 -5.09 105.19 112.12 3m3r n GLY 130 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3m3r n GLY 130 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3m3r s LYS 131 N -0.92 3.93 0.39 1.61 2.20 -1.22 -4.92 119.74 120.82 3m3r s LYS 131 Ca 0.00 1.31 0.08 0.00 -0.36 0.00 0.00 55.97 57.00 3m3r s LYS 131 Cb 0.00 -2.14 -0.07 0.00 -1.51 0.00 0.00 37.83 34.10 3m3r s LYS 131 CO 0.00 -0.31 -0.02 0.42 -0.36 0.00 0.00 175.35 175.07 3m3r s ILE 132 N -2.01 2.05 -0.04 5.43 -1.09 -1.26 -3.23 121.20 121.05 3m3r s ILE 132 Ca 0.65 -2.06 -0.18 0.00 -2.23 0.00 0.00 60.65 56.83 3m3r s ILE 132 Cb -0.15 -2.88 0.06 0.00 -1.58 0.00 0.00 42.46 37.91 3m3r s ILE 132 CO 0.19 -0.07 0.81 0.61 -1.23 0.00 0.00 174.94 175.25 3m3r n GLY 133 N -0.90 0.26 3.65 6.18 0.00 -0.68 -4.90 105.19 108.80 3m3r n GLY 133 Ca -0.05 -0.94 -0.02 0.00 0.00 0.00 0.00 46.02 45.01 3m3r n GLY 133 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3m3r s GLY 134 N -3.52 0.18 -0.03 -0.02 0.00 -1.26 -3.05 107.32 99.62 3m3r s GLY 134 Ca 0.19 3.05 0.05 0.00 0.00 0.00 0.00 44.72 48.02 3m3r s GLY 134 CO -0.01 1.33 -0.18 -2.27 0.00 0.00 0.00 173.10 171.97 3m3r s LEU 135 N -0.75 1.99 -0.08 0.66 2.96 -0.71 -4.93 118.68 117.82 3m3r s LEU 135 Ca 0.09 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 3m3r s LEU 135 Cb -0.02 -0.95 0.03 0.00 0.50 0.00 0.00 46.19 45.75 3m3r s LEU 135 CO -0.10 0.20 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.48 3m3r s ILE 136 N -0.25 0.53 0.20 6.68 1.01 -1.26 -0.58 121.20 127.53 3m3r s ILE 136 Ca 0.03 0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.71 3m3r s ILE 136 Cb -0.09 -0.66 -0.05 0.00 0.01 0.00 0.00 42.46 41.68 3m3r s ILE 136 CO 0.00 0.28 0.05 -0.83 0.00 0.00 0.00 174.94 174.44 3m3r s GLY 137 N 1.91 1.39 -0.02 6.18 0.00 -1.02 -5.03 107.32 110.74 3m3r s GLY 137 Ca 0.05 -1.68 -0.10 0.00 0.00 0.00 0.00 44.72 42.99 3m3r s GLY 137 CO -0.06 -1.52 0.21 0.00 0.00 0.00 0.00 173.10 171.73 3m3r s ALA 138 N -3.78 -0.52 0.06 3.20 0.00 -1.26 -1.45 121.76 118.01 3m3r s ALA 138 Ca 0.30 0.16 -0.05 0.00 0.00 0.00 0.00 51.96 52.37 3m3r s ALA 138 Cb 0.07 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 3m3r s ALA 138 CO 0.08 -0.21 0.08 0.54 0.00 0.00 0.00 175.76 176.25 3m3r s ASN 139 N -1.10 0.27 0.03 0.00 2.20 0.35 -5.00 114.94 111.70 3m3r s ASN 139 Ca -0.12 -0.75 -0.00 0.00 -0.94 0.00 0.00 52.86 51.05 3m3r s ASN 139 Cb -0.06 0.26 -0.03 0.00 -2.00 0.00 0.00 41.25 39.42 3m3r s ASN 139 CO 0.02 -0.63 -0.03 -0.69 -2.94 0.00 0.00 177.10 172.83 3m3r s VAL 140 N -3.57 0.17 -0.28 3.54 1.01 -1.26 -0.99 120.40 119.02 3m3r s VAL 140 Ca 0.03 -1.30 -0.21 0.00 0.00 0.00 0.00 61.98 60.50 3m3r s VAL 140 Cb 0.05 -0.81 0.08 0.00 0.00 0.00 0.00 36.38 35.69 3m3r s VAL 140 CO -0.09 -0.71 0.72 -0.94 0.00 0.00 0.00 175.10 174.08 3m3r s SER 141 N -2.09 -0.83 -0.07 3.32 1.04 0.07 -4.98 113.70 110.16 3m3r s SER 141 Ca -0.06 1.46 0.05 0.00 0.48 0.00 0.00 55.95 57.88 3m3r s SER 141 Cb -0.02 1.42 -0.01 0.00 0.10 0.00 0.00 66.02 67.51 3m3r s SER 141 CO -0.05 -0.24 -0.24 -0.63 0.98 0.00 0.00 173.24 173.06 3m3r s ILE 142 N 0.96 2.04 0.04 -1.02 1.01 -1.26 -1.56 121.20 121.40 3m3r s ILE 142 Ca -0.05 -1.04 -0.07 0.00 0.00 0.00 0.00 60.65 59.50 3m3r s ILE 142 Cb -0.05 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 3m3r s ILE 142 CO -0.09 0.56 0.13 -0.83 0.00 0.00 0.00 174.94 174.71 3m3r s GLY 143 N 0.01 0.13 -0.04 6.18 0.00 -0.04 -5.00 107.32 108.57 3m3r s GLY 143 Ca -0.09 -0.49 -0.05 0.00 0.00 0.00 0.00 44.72 44.10 3m3r s GLY 143 CO 0.05 -0.64 0.13 -2.38 0.00 0.00 0.00 173.10 170.26 3m3r s HIS 144 N -2.67 -0.10 -0.02 1.90 -3.43 -1.26 0.85 115.29 110.55 3m3r s HIS 144 Ca -0.04 0.24 0.07 0.00 -0.80 0.00 0.00 55.06 54.53 3m3r s HIS 144 Cb -0.01 0.02 -0.02 0.00 -1.43 0.00 0.00 32.58 31.15 3m3r s HIS 144 CO -0.05 -0.11 -0.24 0.99 -2.00 0.00 0.00 174.74 173.34 3m3r s THR 145 N -0.21 1.88 -0.17 -5.38 2.01 0.12 -4.96 115.64 108.94 3m3r s THR 145 Ca -0.03 -1.01 -0.01 0.00 0.31 0.00 0.00 61.69 60.95 3m3r s THR 145 Cb -0.02 -1.56 -0.01 0.00 0.01 0.00 0.00 72.50 70.92 3m3r s THR 145 CO 0.00 0.53 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.13 3m3r s LEU 146 N -0.50 2.64 -0.04 4.42 2.96 -1.26 -0.09 118.68 126.81 3m3r s LEU 146 Ca 0.07 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.61 3m3r s LEU 146 Cb -0.10 -1.62 -0.00 0.00 0.50 0.00 0.00 46.19 44.97 3m3r s LEU 146 CO -0.00 0.08 -0.16 -0.75 -1.32 0.00 0.00 176.35 174.20 3m3r s LYS 147 N 0.87 1.62 -0.06 1.98 2.20 0.82 -4.97 119.74 122.20 3m3r s LYS 147 Ca -0.03 -0.55 -0.30 0.00 -0.36 0.00 0.00 55.97 54.73 3m3r s LYS 147 Cb -0.15 -1.42 0.09 0.00 -1.51 0.00 0.00 37.83 34.84 3m3r s LYS 147 CO -0.00 0.22 0.79 1.52 -0.36 0.00 0.00 175.35 177.52 3m3r s TYR 148 N 0.07 -0.52 0.06 4.03 1.13 -1.26 0.65 117.35 121.51 3m3r s TYR 148 Ca -0.04 0.80 -0.18 0.00 -1.41 0.00 0.00 57.07 56.24 3m3r s TYR 148 Cb -0.11 0.45 -0.06 0.00 -1.10 0.00 0.00 41.96 41.14 3m3r s TYR 148 CO 0.02 -0.54 0.53 0.08 -2.51 0.00 0.00 175.55 173.12 3m3r s VAL 149 N -1.63 4.83 -0.23 -3.49 1.01 -1.26 -5.07 120.40 114.56 3m3r s VAL 149 Ca -0.05 1.07 -0.00 0.00 0.00 0.00 0.00 61.98 63.00 3m3r s VAL 149 Cb -0.00 -3.83 0.06 0.00 0.00 0.00 0.00 36.38 32.61 3m3r s VAL 149 CO 0.03 0.52 -0.02 -1.10 0.00 0.00 0.00 175.10 174.53 3m3r s GLN 150 N -1.21 1.33 0.49 2.72 -0.21 -1.26 -5.07 119.66 116.45 3m3r s GLN 150 Ca 0.29 -0.87 -0.21 0.00 0.02 0.00 0.00 55.36 54.59 3m3r s GLN 150 Cb -0.18 -2.45 -0.07 0.00 1.00 0.00 0.00 33.01 31.30 3m3r s GLN 150 CO 0.18 -0.64 1.11 -1.25 -2.12 0.00 0.00 175.29 172.57 3m3r s PRO 151 N 1.51 3.65 0.47 2.91 0.04 -1.26 -4.91 135.00 137.42 3m3r s PRO 151 Ca -0.04 1.58 0.13 0.00 0.04 0.00 0.00 61.00 62.71 3m3r s PRO 151 Cb -0.18 -2.18 1.10 0.00 0.04 0.00 0.00 34.50 33.28 3m3r s PRO 151 CO -0.08 -0.60 2.10 -0.44 0.04 0.00 0.00 177.00 178.03 3m3r h ASP 152 N 1.63 0.20 -4.56 6.66 3.45 -1.97 -3.37 116.42 118.47 3m3r h ASP 152 Ca -0.50 -0.00 -0.34 0.00 0.43 0.00 0.00 57.03 56.62 3m3r h ASP 152 Cb 1.24 -0.05 -0.22 0.00 -0.56 0.00 0.00 39.33 39.74 3m3r h ASP 152 CO 0.59 0.14 -0.76 -0.36 -1.57 0.00 0.00 179.24 177.29 3m3r s PHE 153 N -5.25 0.89 -0.13 4.55 0.08 -1.26 -0.27 117.98 116.59 3m3r s PHE 153 Ca -0.06 -0.44 -0.03 0.00 0.12 0.00 0.00 56.93 56.52 3m3r s PHE 153 Cb 0.17 -0.52 -0.03 0.00 -0.57 0.00 0.00 43.02 42.07 3m3r s PHE 153 CO 0.70 -0.02 -0.03 0.15 -0.10 0.00 0.00 175.22 175.92 3m3r s LYS 154 N -1.47 3.39 -0.37 0.44 1.02 0.01 -4.87 119.74 117.90 3m3r s LYS 154 Ca -0.05 -0.49 -0.15 0.00 0.02 0.00 0.00 55.97 55.29 3m3r s LYS 154 Cb -0.09 -2.85 -0.00 0.00 -0.52 0.00 0.00 37.83 34.37 3m3r s LYS 154 CO 0.01 0.41 0.35 0.99 -0.92 0.00 0.00 175.35 176.19 3m3r s THR 155 N -0.09 5.18 -0.03 2.17 2.01 -1.26 -1.77 115.64 121.85 3m3r s THR 155 Ca 0.02 -0.20 0.07 0.00 0.31 0.00 0.00 61.69 61.90 3m3r s THR 155 Cb -0.13 -3.87 -0.02 0.00 0.01 0.00 0.00 72.50 68.49 3m3r s THR 155 CO 0.02 -0.19 -0.25 -0.63 -0.69 0.00 0.00 174.62 172.88 3m3r s ILE 156 N 1.95 2.02 -0.26 1.82 1.01 0.21 -4.89 121.20 123.06 3m3r s ILE 156 Ca 0.10 -1.08 -0.18 0.00 0.00 0.00 0.00 60.65 59.49 3m3r s ILE 156 Cb -0.17 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 3m3r s ILE 156 CO 0.12 0.57 0.53 -0.22 0.00 0.00 0.00 174.94 175.93 3m3r s LEU 157 N -0.46 4.06 0.42 2.97 2.96 -1.26 -1.20 118.68 126.16 3m3r s LEU 157 Ca 0.06 0.53 -0.23 0.00 -0.22 0.00 0.00 54.13 54.27 3m3r s LEU 157 Cb -0.11 -2.68 -0.09 0.00 0.50 0.00 0.00 46.19 43.81 3m3r s LEU 157 CO 0.00 -0.30 1.05 -1.61 -1.32 0.00 0.00 176.35 174.18 3m3r s GLU 158 N 2.33 4.06 -0.34 1.98 2.02 0.33 -4.80 118.70 124.29 3m3r s GLU 158 Ca 0.22 1.49 -0.37 0.00 0.02 0.00 0.00 54.97 56.33 3m3r s GLU 158 Cb -0.16 -2.43 -0.13 0.00 0.10 0.00 0.00 34.13 31.52 3m3r s GLU 158 CO 0.09 -0.23 2.11 0.43 0.02 0.00 0.00 175.26 177.68 3m3r n SER 159 N -0.30 2.14 -4.95 -0.19 7.64 -1.26 -4.39 113.62 112.30 3m3r n SER 159 Ca 0.06 0.55 -0.24 0.00 1.01 0.00 0.00 58.87 60.25 3m3r n SER 159 Cb 0.50 -1.22 0.05 0.00 -1.01 0.00 0.00 64.21 62.53 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 5.72 2.39 0.17 1.43 0.04 -1.26 -4.88 135.00 138.60 3m3r s PRO 160 Ca 1.08 -0.44 0.02 0.00 0.04 0.00 0.00 61.00 61.70 3m3r s PRO 160 Cb -0.93 -2.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.31 3m3r s PRO 160 CO 0.53 -0.99 0.08 0.25 0.04 0.00 0.00 177.00 176.90 3m3r n THR 161 N -2.67 0.00 1.61 1.26 -2.24 0.70 -4.99 114.28 107.96 3m3r n THR 161 Ca 0.08 -1.04 0.09 0.00 -2.27 0.00 0.00 64.05 60.91 3m3r n THR 161 Cb 0.60 0.40 0.41 0.00 -2.10 0.00 0.00 70.33 69.64 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 -1.95 0.80 0.00 3.42 5.75 -1.26 -3.72 116.55 119.59 3m3r n ASP 162 Ca -0.01 -1.62 0.00 0.00 -0.01 0.00 0.00 54.79 53.15 3m3r n ASP 162 Cb 0.26 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 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 -0.23 2.44 -3.76 0.11 4.76 -1.26 -1.58 118.16 118.64 3m3r n LYS 163 Ca 0.14 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.45 3m3r n LYS 163 Cb 0.18 -0.75 -0.10 0.00 -1.84 0.00 0.00 35.03 32.52 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 -1.34 0.43 0.03 1.97 -2.85 -1.24 0.52 119.74 117.26 3m3r s LYS 164 Ca 0.00 0.33 -0.03 0.00 -1.00 0.00 0.00 55.97 55.27 3m3r s LYS 164 Cb 0.00 0.21 -0.02 0.00 -2.06 0.00 0.00 37.83 35.96 3m3r s LYS 164 CO 0.00 -0.07 0.04 0.54 0.10 0.00 0.00 175.35 175.96 3m3r s VAL 165 N -0.11 0.14 0.11 1.79 0.11 -0.90 -0.21 120.40 121.33 3m3r s VAL 165 Ca -0.03 -1.15 -0.25 0.00 -2.93 0.00 0.00 61.98 57.62 3m3r s VAL 165 Cb -0.03 -0.81 0.07 0.00 -1.53 0.00 0.00 36.38 34.08 3m3r s VAL 165 CO 0.01 -0.63 0.83 -0.83 -3.33 0.00 0.00 175.10 171.15 3m3r s GLY 166 N -2.05 -0.38 0.04 6.54 0.00 -1.26 -1.31 107.32 108.90 3m3r s GLY 166 Ca -0.06 0.47 0.04 0.00 0.00 0.00 0.00 44.72 45.17 3m3r s GLY 166 CO -0.04 0.15 -0.11 -0.98 0.00 0.00 0.00 173.10 172.12 3m3r s TRP 167 N -3.40 0.94 -0.04 1.90 0.51 -0.47 -0.51 118.94 117.87 3m3r s TRP 167 Ca 0.07 -0.40 0.02 0.00 -2.12 0.00 0.00 56.10 53.67 3m3r s TRP 167 Cb -0.02 -0.55 0.01 0.00 -0.81 0.00 0.00 33.47 32.10 3m3r s TRP 167 CO -0.04 -0.01 -0.07 -1.59 -0.51 0.00 0.00 176.95 174.73 3m3r s LYS 168 N -1.33 0.98 -0.48 4.98 -2.85 -0.34 -2.31 119.74 118.39 3m3r s LYS 168 Ca -0.03 -0.23 -0.02 0.00 -1.00 0.00 0.00 55.97 54.69 3m3r s LYS 168 Cb -0.08 -0.92 0.13 0.00 -2.06 0.00 0.00 37.83 34.90 3m3r s LYS 168 CO 0.01 0.02 0.27 0.08 0.10 0.00 0.00 175.35 175.83 3m3r s VAL 169 N 0.55 3.31 -0.05 1.79 1.01 0.35 -0.62 120.40 126.74 3m3r s VAL 169 Ca -0.08 -2.46 -0.05 0.00 0.00 0.00 0.00 61.98 59.39 3m3r s VAL 169 Cb -0.12 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 3m3r s VAL 169 CO 0.01 -0.75 0.19 0.27 0.00 0.00 0.00 175.10 174.81 3m3r s ILE 170 N 0.64 5.43 0.21 2.22 -4.36 -0.73 -1.13 121.20 123.48 3m3r s ILE 170 Ca 0.12 0.04 -0.31 0.00 -0.26 0.00 0.00 60.65 60.25 3m3r s ILE 170 Cb -0.22 -3.50 -0.10 0.00 1.25 0.00 0.00 42.46 39.89 3m3r s ILE 170 CO -0.04 0.44 1.48 0.12 0.24 0.00 0.00 174.94 177.18 3m3r s PHE 171 N -1.21 3.05 0.00 1.37 2.19 0.16 -0.81 117.98 122.73 3m3r s PHE 171 Ca 0.23 0.88 0.00 0.00 0.33 0.00 0.00 56.93 58.36 3m3r s PHE 171 Cb -0.13 -3.85 0.00 0.00 -1.31 0.00 0.00 43.02 37.74 3m3r s PHE 171 CO 0.13 -2.92 0.00 -1.71 1.83 0.00 0.00 175.22 172.55 3m3r n ASN 172 N 3.06 0.00 -3.98 6.13 5.15 0.63 -4.85 115.26 121.40 3m3r n ASN 172 Ca 0.10 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.97 3m3r n ASN 172 Cb 0.40 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.58 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 -0.65 0.15 -0.10 1.20 2.20 -1.21 -4.58 114.94 111.95 3m3r s ASN 173 Ca 0.00 -1.19 -0.26 0.00 -0.94 0.00 0.00 52.86 50.47 3m3r s ASN 173 Cb 0.00 0.52 0.06 0.00 -2.00 0.00 0.00 41.25 39.83 3m3r s ASN 173 CO 0.00 -1.04 0.62 -0.32 -2.94 0.00 0.00 177.10 173.41 3m3r s MET 174 N -3.95 0.91 -0.04 3.55 1.75 0.06 -4.23 119.30 117.36 3m3r s MET 174 Ca 0.30 0.39 -0.29 0.00 -1.25 0.00 0.00 55.69 54.84 3m3r s MET 174 Cb 0.02 0.43 -0.03 0.00 2.84 0.00 0.00 34.83 38.10 3m3r s MET 174 CO 0.12 -0.24 0.93 0.08 -0.65 0.00 0.00 175.02 175.27 3m3r s VAL 175 N -0.75 4.88 -0.44 10.11 1.01 -1.26 -0.43 120.40 133.52 3m3r s VAL 175 Ca -0.08 1.94 -0.07 0.00 0.00 0.00 0.00 61.98 63.77 3m3r s VAL 175 Cb -0.02 -4.27 0.11 0.00 0.00 0.00 0.00 36.38 32.20 3m3r s VAL 175 CO 0.06 0.14 0.28 0.21 0.00 0.00 0.00 175.10 175.79 3m3r s ASN 176 N 1.00 5.54 -1.07 3.32 3.84 -0.71 -4.71 114.94 122.15 3m3r s ASN 176 Ca 0.48 -1.84 -0.19 0.00 0.21 0.00 0.00 52.86 51.53 3m3r s ASN 176 Cb -0.20 -1.95 0.00 0.00 -0.55 0.00 0.00 41.25 38.56 3m3r s ASN 176 CO 0.24 -0.61 0.74 0.00 -2.79 0.00 0.00 177.10 174.68 3m3r n GLN 177 N 4.82 -1.07 -0.67 0.43 6.02 -1.26 -1.32 117.38 124.33 3m3r n GLN 177 Ca -0.07 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.43 3m3r n GLN 177 Cb 0.41 -3.65 0.00 0.00 1.02 0.00 0.00 30.24 28.02 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 -2.48 -0.63 -4.93 1.08 5.03 -1.26 -4.95 115.26 107.12 3m3r n ASN 178 Ca -0.12 0.00 -0.26 0.00 0.87 0.00 0.00 54.58 55.07 3m3r n ASN 178 Cb 0.59 -1.97 0.01 0.00 -1.02 0.00 0.00 39.78 37.39 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 -1.71 1.49 0.00 3.10 0.52 -0.43 -5.01 118.94 116.90 3m3r s TRP 179 Ca 0.00 -0.86 0.00 0.00 0.02 0.00 0.00 56.10 55.26 3m3r s TRP 179 Cb 0.00 -1.93 0.00 0.00 -1.15 0.00 0.00 33.47 30.39 3m3r s TRP 179 CO 0.00 -0.61 0.00 0.41 0.02 0.00 0.00 176.95 176.77 3m3r n GLY 180 N -1.85 0.36 3.78 0.98 0.00 -1.26 -1.74 105.19 105.45 3m3r n GLY 180 Ca 0.00 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.31 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 2.73 0.30 1.61 0.04 -1.26 -5.01 135.00 133.41 3m3r s PRO 181 Ca 0.00 1.30 0.09 0.00 0.04 0.00 0.00 61.00 62.43 3m3r s PRO 181 Cb 0.00 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 3m3r s PRO 181 CO 0.00 -1.29 0.09 0.71 0.04 0.00 0.00 177.00 176.55 3m3r s TYR 182 N -2.51 2.75 0.37 0.56 2.02 0.42 -4.81 117.35 116.16 3m3r s TYR 182 Ca 0.65 -0.29 -0.02 0.00 -0.37 0.00 0.00 57.07 57.04 3m3r s TYR 182 Cb -0.19 -1.44 0.01 0.00 -0.40 0.00 0.00 41.96 39.94 3m3r s TYR 182 CO 0.45 0.47 0.51 0.16 -1.57 0.00 0.00 175.55 175.57 3m3r s ASP 183 N -3.78 1.04 0.27 2.29 3.84 -1.26 -0.76 116.67 118.31 3m3r s ASP 183 Ca 0.35 -1.54 0.14 0.00 -0.00 0.00 0.00 52.55 51.49 3m3r s ASP 183 Cb -0.05 0.70 0.75 0.00 -1.38 0.00 0.00 42.92 42.94 3m3r s ASP 183 CO 0.22 -1.36 1.36 0.54 -0.00 0.00 0.00 175.17 175.92 3m3r n ARG 184 N -0.60 0.09 0.00 2.11 1.74 -1.26 -1.59 116.66 117.14 3m3r n ARG 184 Ca 0.01 0.56 0.04 0.00 -0.77 0.00 0.00 57.85 57.69 3m3r n ARG 184 Cb 0.61 -1.96 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 3m3r n ARG 184 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3m3r n ASP 185 N -2.01 1.18 -4.66 0.55 8.00 -1.26 -4.86 116.55 113.49 3m3r n ASP 185 Ca -0.01 -1.09 -0.53 0.00 0.71 0.00 0.00 54.79 53.87 3m3r n ASP 185 Cb 0.18 0.42 -0.06 0.00 -0.02 0.00 0.00 41.12 41.64 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 -0.20 2.31 -3.78 -2.24 7.64 -0.62 -4.94 113.62 111.78 3m3r n SER 186 Ca 0.04 1.08 -0.14 0.00 1.01 0.00 0.00 58.87 60.86 3m3r n SER 186 Cb 0.18 -1.22 -0.15 0.00 -1.01 0.00 0.00 64.21 62.02 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 2.18 -0.04 -0.05 1.43 -0.11 -1.26 -3.47 118.94 117.62 3m3r s TRP 187 Ca 0.90 0.22 0.04 0.00 1.22 0.00 0.00 56.10 58.49 3m3r s TRP 187 Cb -0.94 -0.15 -0.00 0.00 -1.50 0.00 0.00 33.47 30.88 3m3r s TRP 187 CO 0.54 -0.10 -0.17 1.21 -4.62 0.00 0.00 176.95 173.81 3m3r s ASN 188 N 0.92 2.16 0.24 5.86 3.84 -0.86 -4.93 114.94 122.17 3m3r s ASN 188 Ca -0.07 -0.36 -0.07 0.00 0.21 0.00 0.00 52.86 52.57 3m3r s ASN 188 Cb -0.10 -0.69 0.24 0.00 -0.55 0.00 0.00 41.25 40.15 3m3r s ASN 188 CO -0.03 0.14 1.91 1.55 -2.79 0.00 0.00 177.10 177.88 3m3r h PRO 189 N 6.39 1.27 -0.07 0.43 0.13 -2.00 1.68 132.00 139.83 3m3r h PRO 189 Ca -0.31 -0.08 -0.08 0.00 -0.87 0.00 0.00 66.00 64.65 3m3r h PRO 189 Cb 1.18 -0.28 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3m3r h PRO 189 CO 0.48 0.85 -0.29 0.28 -0.23 0.00 0.00 178.00 179.09 3m3r h VAL 190 N 1.31 1.43 -0.00 1.56 2.07 -1.97 -3.38 116.25 117.26 3m3r h VAL 190 Ca 0.35 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 66.18 3m3r h VAL 190 Cb -0.13 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3m3r h VAL 190 CO -0.07 0.48 -0.29 -1.22 0.02 0.00 0.00 177.57 176.49 3m3r n TYR 191 N -4.46 0.00 -4.41 1.57 4.02 -1.20 -4.72 117.16 107.97 3m3r n TYR 191 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 3m3r n TYR 191 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 3m3r n TYR 191 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3m3r n GLY 192 N 1.03 0.27 3.61 2.72 0.00 0.57 0.89 105.19 114.29 3m3r n GLY 192 Ca 0.02 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 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 6.57 -0.08 1.61 3.84 0.10 -2.03 114.94 120.95 3m3r s ASN 193 Ca 0.00 0.78 0.12 0.00 0.21 0.00 0.00 52.86 53.97 3m3r s ASN 193 Cb 0.00 -2.54 0.50 0.00 -0.55 0.00 0.00 41.25 38.65 3m3r s ASN 193 CO 0.00 -1.25 1.36 0.00 -2.79 0.00 0.00 177.10 174.42 3m3r n GLN 194 N 7.74 2.89 -0.26 0.43 6.02 -1.26 -4.01 117.38 128.93 3m3r n GLN 194 Ca 0.14 -1.96 -0.07 0.00 -0.01 0.00 0.00 57.00 55.10 3m3r n GLN 194 Cb 0.48 -1.70 -0.06 0.00 1.02 0.00 0.00 30.24 29.98 3m3r n GLN 194 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3m3r n LEU 195 N 0.70 -0.66 -0.84 1.08 0.00 -1.26 -2.06 117.00 113.95 3m3r n LEU 195 Ca 0.18 1.25 0.05 0.00 0.00 0.00 0.00 56.01 57.48 3m3r n LEU 195 Cb 0.66 -0.21 0.22 0.00 0.00 0.00 0.00 43.42 44.08 3m3r n LEU 195 CO 0.17 -0.97 0.67 0.49 0.00 0.00 0.00 177.39 177.75 3m3r n PHE 196 N -4.54 0.81 -2.47 1.96 3.72 -1.26 -4.77 117.46 110.90 3m3r n PHE 196 Ca 0.01 -1.15 -0.42 0.00 -0.05 0.00 0.00 57.45 55.84 3m3r n PHE 196 Cb 0.16 -0.35 -0.03 0.00 -0.94 0.00 0.00 39.48 38.32 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 -2.99 4.46 -0.07 -1.08 1.75 -0.88 -0.33 119.30 120.17 3m3r s MET 197 Ca 0.41 1.72 -0.25 0.00 -1.25 0.00 0.00 55.69 56.32 3m3r s MET 197 Cb 0.35 -3.36 -0.26 0.00 2.84 0.00 0.00 34.83 34.40 3m3r s MET 197 CO 0.04 -0.20 0.92 -0.22 -0.65 0.00 0.00 175.02 174.92 3m3r h LYS 198 N 6.64 0.17 -4.23 4.11 3.11 -0.69 -3.42 116.57 122.27 3m3r h LYS 198 Ca -0.42 -0.24 -0.18 0.00 -2.81 0.00 0.00 60.65 57.00 3m3r h LYS 198 Cb 1.21 0.08 -0.19 0.00 -1.00 0.00 0.00 32.23 32.34 3m3r h LYS 198 CO 0.79 1.04 -0.70 0.95 -2.81 0.00 0.00 179.45 178.73 3m3r s THR 199 N -2.68 0.28 -0.06 1.00 -4.23 -1.26 -4.98 115.64 103.71 3m3r s THR 199 Ca -0.16 -1.30 -0.19 0.00 -1.18 0.00 0.00 61.69 58.87 3m3r s THR 199 Cb -0.00 -0.82 -0.30 0.00 1.34 0.00 0.00 72.50 72.71 3m3r s THR 199 CO 0.76 -0.65 0.78 0.03 -0.54 0.00 0.00 174.62 174.99 3m3r h ARG 200 N 4.03 0.32 -0.00 3.99 3.08 -1.92 -3.40 114.38 120.48 3m3r h ARG 200 Ca -0.34 -0.54 0.00 0.00 0.07 0.00 0.00 59.98 59.18 3m3r h ARG 200 Cb 1.18 0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.44 3m3r h ARG 200 CO 0.50 1.26 -0.29 0.09 -1.07 0.00 0.00 179.97 180.46 3m3r n ASN 201 N -3.98 0.47 -1.67 7.04 4.13 -1.26 0.37 115.26 120.35 3m3r n ASN 201 Ca -0.19 -0.73 -0.19 0.00 1.68 0.00 0.00 54.58 55.15 3m3r n ASN 201 Cb 0.90 0.89 -0.01 0.00 -1.54 0.00 0.00 39.78 40.02 3m3r n ASN 201 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3m3r n GLY 202 N 1.09 -0.61 3.01 7.41 0.00 -1.26 -4.87 105.19 109.97 3m3r n GLY 202 Ca 0.02 0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 0.74 5.55 -3.79 1.61 3.41 -1.26 -4.96 113.62 114.91 3m3r n SER 203 Ca 0.07 -3.30 -0.12 0.00 -0.26 0.00 0.00 58.87 55.26 3m3r n SER 203 Cb 0.09 -1.18 -0.06 0.00 -0.26 0.00 0.00 64.21 62.80 3m3r n SER 203 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3m3r s MET 204 N -2.22 1.58 0.56 4.33 -1.94 -1.26 -5.14 119.30 115.21 3m3r s MET 204 Ca 0.32 -1.53 -0.21 0.00 -1.71 0.00 0.00 55.69 52.56 3m3r s MET 204 Cb 0.01 0.41 -0.05 0.00 2.01 0.00 0.00 34.83 37.21 3m3r s MET 204 CO 0.02 -0.63 1.23 1.17 -0.01 0.00 0.00 175.02 176.80 3m3r n LYS 205 N -0.42 1.42 0.07 2.03 4.81 -1.26 -4.87 118.16 119.94 3m3r n LYS 205 Ca 0.00 0.53 0.03 0.00 -0.87 0.00 0.00 58.31 58.00 3m3r n LYS 205 Cb 0.63 -2.43 0.40 0.00 0.02 0.00 0.00 35.03 33.65 3m3r n LYS 205 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3m3r h ALA 206 N 1.14 1.58 0.00 3.14 0.00 -1.03 -0.58 119.26 123.51 3m3r h ALA 206 Ca -0.50 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3m3r h ALA 206 Cb 1.32 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3m3r h ALA 206 CO 0.55 0.32 0.00 0.00 0.00 0.00 0.00 179.25 180.12 3m3r n ALA 207 N -2.49 2.02 -0.06 0.00 0.00 -1.26 -2.04 120.51 116.68 3m3r n ALA 207 Ca 0.01 -0.09 0.03 0.00 0.00 0.00 0.00 53.44 53.39 3m3r n ALA 207 Cb 0.19 -1.29 0.08 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.21 2.42 -1.35 0.00 10.43 -0.23 -4.62 116.55 121.99 3m3r n ASP 208 Ca 0.10 -1.91 -0.04 0.00 2.57 0.00 0.00 54.79 55.51 3m3r n ASP 208 Cb 0.12 -0.12 0.22 0.00 1.84 0.00 0.00 41.12 43.19 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 0.13 3.26 -4.91 -2.24 5.15 -0.87 -4.91 115.26 110.88 3m3r n ASN 209 Ca 0.06 -3.51 -0.32 0.00 -0.60 0.00 0.00 54.58 50.21 3m3r n ASN 209 Cb 0.33 -0.66 -0.05 0.00 -0.53 0.00 0.00 39.78 38.88 3m3r n ASN 209 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3m3r s PHE 210 N -3.13 3.54 0.36 1.20 0.08 -1.26 -0.03 117.98 118.74 3m3r s PHE 210 Ca 0.47 0.36 -0.28 0.00 0.12 0.00 0.00 56.93 57.60 3m3r s PHE 210 Cb 0.41 -1.84 -0.11 0.00 -0.57 0.00 0.00 43.02 40.91 3m3r s PHE 210 CO 0.05 0.60 1.50 -1.17 -0.10 0.00 0.00 175.22 176.10 3m3r s LEU 211 N -2.20 4.32 0.09 -0.37 2.96 0.56 -4.55 118.68 119.49 3m3r s LEU 211 Ca 0.32 3.03 -0.31 0.00 -0.22 0.00 0.00 54.13 56.95 3m3r s LEU 211 Cb -0.13 -3.66 -0.09 0.00 0.50 0.00 0.00 46.19 42.81 3m3r s LEU 211 CO 0.22 -0.87 1.79 -0.62 -1.32 0.00 0.00 176.35 175.55 3m3r s ASP 212 N -0.05 6.49 0.56 3.68 -1.08 -1.26 -4.86 116.67 120.15 3m3r s ASP 212 Ca 0.54 2.65 0.27 0.00 -0.52 0.00 0.00 52.55 55.49 3m3r s ASP 212 Cb -0.47 -2.56 1.49 0.00 -1.46 0.00 0.00 42.92 39.93 3m3r s ASP 212 CO 0.61 -0.97 2.02 1.55 0.52 0.00 0.00 175.17 178.89 3m3r h PRO 213 N 8.83 0.00 0.00 4.34 0.13 -1.92 0.39 132.00 143.76 3m3r h PRO 213 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 3m3r h PRO 213 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 3m3r h PRO 213 CO 0.94 0.00 -0.10 -0.91 -0.23 0.00 0.00 178.00 177.70 3m3r h ASN 214 N 0.00 0.00 -0.45 1.44 2.35 -1.96 -2.06 115.58 114.89 3m3r h ASN 214 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3m3r h ASN 214 Cb 0.84 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.21 3m3r h ASN 214 CO -0.00 0.10 0.00 0.29 -1.65 0.00 0.00 177.43 176.17 3m3r n LYS 215 N -3.23 2.16 -4.46 0.81 5.02 0.14 -4.91 118.16 113.69 3m3r n LYS 215 Ca 0.00 -1.80 -0.22 0.00 -2.02 0.00 0.00 58.31 54.28 3m3r n LYS 215 Cb 0.36 -1.41 -0.10 0.00 -0.02 0.00 0.00 35.03 33.86 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 -1.40 2.44 -0.15 7.82 0.00 -0.78 -4.77 121.76 124.93 3m3r s ALA 216 Ca 0.35 -1.91 -0.36 0.00 0.00 0.00 0.00 51.96 50.04 3m3r s ALA 216 Cb 0.18 0.68 -0.13 0.00 0.00 0.00 0.00 23.12 23.85 3m3r s ALA 216 CO 0.25 -0.31 1.82 0.45 0.00 0.00 0.00 175.76 177.96 3m3r n SER 217 N -0.77 3.05 0.28 0.00 2.88 -1.26 -4.83 113.62 112.96 3m3r n SER 217 Ca -0.03 1.01 0.17 0.00 -1.33 0.00 0.00 58.87 58.69 3m3r n SER 217 Cb 0.66 -1.29 0.83 0.00 -0.75 0.00 0.00 64.21 63.66 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 8.38 0.00 0.84 -3.46 4.64 -1.94 0.63 113.55 122.64 3m3r h SER 218 Ca -0.48 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.80 3m3r h SER 218 Cb 1.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 3m3r h SER 218 CO 0.95 0.00 -0.21 -0.07 -0.87 0.00 0.00 176.83 176.63 3m3r h LEU 219 N 0.00 0.00 -1.12 5.97 4.07 -1.88 -2.25 115.31 120.10 3m3r h LEU 219 Ca 0.04 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.93 3m3r h LEU 219 Cb 0.70 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.43 3m3r h LEU 219 CO -0.00 0.21 -0.14 -0.07 -1.08 0.00 0.00 178.44 177.36 3m3r h LEU 220 N 0.00 0.43 0.00 1.67 3.38 -1.18 -3.24 115.31 116.38 3m3r h LEU 220 Ca -0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3m3r h LEU 220 Cb 0.69 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3m3r h LEU 220 CO 0.03 0.60 0.00 -1.54 0.09 0.00 0.00 178.44 177.62 3m3r n SER 221 N -4.20 0.00 -0.30 -0.43 3.41 -1.15 -2.14 113.62 108.81 3m3r n SER 221 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.76 3m3r n SER 221 Cb 0.32 -0.09 0.40 0.00 -0.26 0.00 0.00 64.21 64.59 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 0.63 -5.00 4.04 0.02 -1.67 0.26 113.55 111.83 3m3r h SER 222 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3m3r h SER 222 Cb 0.00 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3m3r h SER 222 CO 0.00 0.26 0.00 0.61 -1.14 0.00 0.00 176.83 176.56 3m3r n GLY 223 N -1.42 2.02 3.53 -3.77 0.00 -0.92 -3.72 105.19 100.90 3m3r n GLY 223 Ca 0.21 -2.18 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.74 2.81 -0.33 1.61 5.36 -0.30 -4.22 117.98 121.17 3m3r s PHE 224 Ca 0.00 -0.07 -0.05 0.00 -0.96 0.00 0.00 56.93 55.85 3m3r s PHE 224 Cb 0.00 -1.66 0.05 0.00 -0.34 0.00 0.00 43.02 41.07 3m3r s PHE 224 CO 0.00 0.27 0.07 -1.12 -1.46 0.00 0.00 175.22 172.98 3m3r s SER 225 N -0.84 5.17 0.65 6.13 0.01 -1.26 -0.74 113.70 122.81 3m3r s SER 225 Ca 0.12 -1.23 -0.16 0.00 1.31 0.00 0.00 55.95 55.99 3m3r s SER 225 Cb -0.11 -1.81 -0.01 0.00 0.21 0.00 0.00 66.02 64.30 3m3r s SER 225 CO 0.02 -0.32 1.14 -2.84 0.41 0.00 0.00 173.24 171.65 3m3r s PRO 226 N 1.34 2.79 -0.46 12.44 0.02 -1.19 -4.96 135.00 144.97 3m3r s PRO 226 Ca -0.02 1.55 0.07 0.00 0.02 0.00 0.00 61.00 62.61 3m3r s PRO 226 Cb -0.20 -1.93 0.28 0.00 0.02 0.00 0.00 34.50 32.67 3m3r s PRO 226 CO 0.01 -1.29 0.94 -3.47 -0.33 0.00 0.00 177.00 172.86 3m3r n ASP 227 N -2.19 -2.24 -4.71 2.53 2.03 -1.21 -4.12 116.55 106.64 3m3r n ASP 227 Ca 0.12 -3.40 -0.27 0.00 0.52 0.00 0.00 54.79 51.75 3m3r n ASP 227 Cb 0.51 1.55 -0.07 0.00 -0.72 0.00 0.00 41.12 42.39 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 0.21 2.98 -0.02 -0.67 2.99 -1.07 -4.71 117.98 117.69 3m3r s PHE 228 Ca 0.29 -0.07 0.05 0.00 0.00 0.00 0.00 56.93 57.21 3m3r s PHE 228 Cb 0.26 -1.46 -0.01 0.00 0.00 0.00 0.00 43.02 41.80 3m3r s PHE 228 CO -0.15 0.51 -0.18 0.00 -0.00 0.00 0.00 175.22 175.40 3m3r s ALA 229 N -1.62 1.51 -0.06 5.36 0.00 0.80 -1.28 121.76 126.46 3m3r s ALA 229 Ca 0.28 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.48 3m3r s ALA 229 Cb -0.10 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.65 3m3r s ALA 229 CO 0.20 0.36 -0.09 0.99 0.00 0.00 0.00 175.76 177.23 3m3r s THR 230 N -0.40 0.90 -0.12 0.00 2.01 -0.27 -0.96 115.64 116.80 3m3r s THR 230 Ca 0.06 -0.33 -0.03 0.00 0.31 0.00 0.00 61.69 61.71 3m3r s THR 230 Cb -0.07 -0.86 -0.03 0.00 0.01 0.00 0.00 72.50 71.55 3m3r s THR 230 CO -0.01 0.31 -0.02 0.68 -0.69 0.00 0.00 174.62 174.89 3m3r s VAL 231 N 0.83 4.10 -0.06 3.82 -7.23 -0.56 -0.52 120.40 120.78 3m3r s VAL 231 Ca -0.12 -0.31 0.06 0.00 -1.81 0.00 0.00 61.98 59.80 3m3r s VAL 231 Cb -0.15 -2.76 -0.01 0.00 0.56 0.00 0.00 36.38 34.03 3m3r s VAL 231 CO 0.02 0.55 -0.24 -0.63 -0.31 0.00 0.00 175.10 174.48 3m3r s ILE 232 N -0.26 1.98 0.18 -0.62 1.01 0.27 -1.02 121.20 122.73 3m3r s ILE 232 Ca 0.05 -1.02 0.07 0.00 0.00 0.00 0.00 60.65 59.76 3m3r s ILE 232 Cb -0.12 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 3m3r s ILE 232 CO 0.02 0.55 0.02 0.42 0.00 0.00 0.00 174.94 175.95 3m3r s THR 233 N -0.06 3.80 -0.11 2.92 -4.23 -0.17 -0.73 115.64 117.06 3m3r s THR 233 Ca -0.06 -1.42 -0.08 0.00 -1.18 0.00 0.00 61.69 58.96 3m3r s THR 233 Cb -0.14 -2.93 0.04 0.00 1.34 0.00 0.00 72.50 70.81 3m3r s THR 233 CO 0.04 -0.13 0.28 -0.32 -0.54 0.00 0.00 174.62 173.95 3m3r s MET 234 N -3.03 0.28 0.18 3.99 0.00 -0.86 -1.63 119.30 118.24 3m3r s MET 234 Ca 0.28 0.50 -0.30 0.00 0.00 0.00 0.00 55.69 56.17 3m3r s MET 234 Cb -0.09 0.01 -0.08 0.00 0.00 0.00 0.00 34.83 34.67 3m3r s MET 234 CO 0.19 -0.11 1.25 0.34 0.00 0.00 0.00 175.02 176.70 3m3r s ASP 235 N 0.79 6.99 0.53 1.11 2.15 -1.26 -0.54 116.67 126.44 3m3r s ASP 235 Ca -0.05 2.30 0.32 0.00 0.43 0.00 0.00 52.55 55.55 3m3r s ASP 235 Cb -0.06 -2.61 1.29 0.00 -0.30 0.00 0.00 42.92 41.24 3m3r s ASP 235 CO -0.05 -0.46 1.96 0.03 -0.17 0.00 0.00 175.17 176.48 3m3r h ARG 236 N 5.42 0.00 0.00 4.34 3.08 -1.96 -2.56 114.38 122.70 3m3r h ARG 236 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 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 0.76 0.03 -0.35 1.63 -1.07 0.00 0.00 179.97 180.98 3m3r n LYS 237 N -3.14 0.12 -1.59 0.04 4.76 -1.26 -4.92 118.16 112.17 3m3r n LYS 237 Ca 0.01 0.06 -0.50 0.00 -2.87 0.00 0.00 58.31 55.00 3m3r n LYS 237 Cb 0.33 -1.60 -0.05 0.00 -1.84 0.00 0.00 35.03 31.87 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 -1.64 -0.82 -0.18 7.82 0.00 -0.97 -4.88 120.51 119.84 3m3r n ALA 238 Ca 0.05 0.49 -0.09 0.00 0.00 0.00 0.00 53.44 53.89 3m3r n ALA 238 Cb 0.38 -2.06 0.01 0.00 0.00 0.00 0.00 19.45 17.78 3m3r n ALA 238 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3m3r h SER 239 N 4.01 0.81 -3.16 0.00 0.87 -1.91 -3.38 113.55 110.79 3m3r h SER 239 Ca -0.45 -0.25 -0.75 0.00 -1.23 0.00 0.00 61.79 59.10 3m3r h SER 239 Cb 1.34 -0.22 -0.25 0.00 -0.44 0.00 0.00 62.40 62.83 3m3r h SER 239 CO 0.74 0.86 -0.27 -0.75 -0.53 0.00 0.00 176.83 176.88 3m3r s LYS 240 N -5.22 2.86 -0.05 2.24 2.20 -1.26 -4.95 119.74 115.55 3m3r s LYS 240 Ca -0.13 -1.70 0.00 0.00 -0.36 0.00 0.00 55.97 53.78 3m3r s LYS 240 Cb 0.12 -4.19 0.07 0.00 -1.51 0.00 0.00 37.83 32.31 3m3r s LYS 240 CO 0.81 -1.28 1.23 1.04 -0.36 0.00 0.00 175.35 176.79 3m3r n GLN 241 N 5.16 1.14 -4.56 4.03 1.13 -1.26 -4.77 117.38 118.24 3m3r n GLN 241 Ca -0.12 -0.32 -0.22 0.00 -1.94 0.00 0.00 57.00 54.40 3m3r n GLN 241 Cb 0.40 -1.13 -0.15 0.00 0.11 0.00 0.00 30.24 29.48 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 -0.36 1.08 -0.03 -1.09 1.11 -1.26 -1.84 119.66 117.27 3m3r s GLN 242 Ca 0.06 -0.44 0.01 0.00 0.01 0.00 0.00 55.36 55.00 3m3r s GLN 242 Cb 0.05 -1.03 0.02 0.00 -1.01 0.00 0.00 33.01 31.04 3m3r s GLN 242 CO 0.01 0.24 -0.03 0.99 0.01 0.00 0.00 175.29 176.51 3m3r s THR 243 N -0.18 0.37 0.23 -0.19 2.01 0.15 -4.98 115.64 113.04 3m3r s THR 243 Ca 0.03 -0.07 -0.01 0.00 0.31 0.00 0.00 61.69 61.94 3m3r s THR 243 Cb -0.06 -0.40 -0.04 0.00 0.01 0.00 0.00 72.50 72.01 3m3r s THR 243 CO -0.00 0.17 0.42 0.20 -0.69 0.00 0.00 174.62 174.72 3m3r s ASN 244 N 0.68 6.38 -0.23 3.53 0.01 -1.26 0.31 114.94 124.36 3m3r s ASN 244 Ca -0.08 0.43 -0.18 0.00 -0.71 0.00 0.00 52.86 52.33 3m3r s ASN 244 Cb -0.11 -2.02 0.06 0.00 0.41 0.00 0.00 41.25 39.59 3m3r s ASN 244 CO -0.01 -0.08 0.59 -0.51 -1.51 0.00 0.00 177.10 175.58 3m3r s ILE 245 N -1.93 -0.00 -0.05 0.60 2.07 -0.67 -4.30 121.20 116.91 3m3r s ILE 245 Ca 0.39 0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.64 3m3r s ILE 245 Cb -0.11 -0.84 -0.03 0.00 0.13 0.00 0.00 42.46 41.61 3m3r s ILE 245 CO 0.30 0.01 0.02 -1.81 -1.91 0.00 0.00 174.94 171.54 3m3r s ASP 246 N 0.84 5.29 -0.06 4.50 1.11 -0.81 -0.27 116.67 127.27 3m3r s ASP 246 Ca -0.04 0.11 0.05 0.00 0.18 0.00 0.00 52.55 52.84 3m3r s ASP 246 Cb -0.05 -1.47 -0.00 0.00 1.07 0.00 0.00 42.92 42.46 3m3r s ASP 246 CO -0.07 0.34 -0.20 -0.69 1.18 0.00 0.00 175.17 175.73 3m3r s VAL 247 N -0.99 1.70 -0.08 -1.27 1.01 0.47 -1.13 120.40 120.10 3m3r s VAL 247 Ca 0.16 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.31 3m3r s VAL 247 Cb -0.11 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.82 3m3r s VAL 247 CO 0.06 0.48 -0.13 -0.63 0.00 0.00 0.00 175.10 174.88 3m3r s ILE 248 N 0.09 1.27 -0.12 2.22 1.09 -0.18 -0.66 121.20 124.91 3m3r s ILE 248 Ca -0.07 -0.53 -0.04 0.00 -1.10 0.00 0.00 60.65 58.90 3m3r s ILE 248 Cb -0.14 -1.17 -0.04 0.00 -1.06 0.00 0.00 42.46 40.06 3m3r s ILE 248 CO 0.04 0.39 0.04 -0.31 -0.10 0.00 0.00 174.94 175.00 3m3r s TYR 249 N 0.86 3.27 0.03 3.97 4.12 -0.15 -1.21 117.35 128.24 3m3r s TYR 249 Ca -0.10 0.20 0.01 0.00 0.02 0.00 0.00 57.07 57.20 3m3r s TYR 249 Cb -0.15 -1.90 -0.02 0.00 -1.52 0.00 0.00 41.96 38.36 3m3r s TYR 249 CO 0.01 0.42 -0.05 -2.00 0.02 0.00 0.00 175.55 173.95 3m3r s GLU 250 N -0.52 0.42 -0.04 -0.62 2.12 0.78 -0.53 118.70 120.31 3m3r s GLU 250 Ca 0.10 -0.72 0.02 0.00 0.36 0.00 0.00 54.97 54.73 3m3r s GLU 250 Cb -0.12 -0.04 0.01 0.00 0.26 0.00 0.00 34.13 34.24 3m3r s GLU 250 CO 0.02 -0.02 -0.08 0.50 -0.54 0.00 0.00 175.26 175.14 3m3r s ARG 251 N -1.71 1.08 -0.17 4.30 3.52 0.67 -0.74 118.95 125.90 3m3r s ARG 251 Ca -0.12 -0.27 0.00 0.00 -0.13 0.00 0.00 55.73 55.22 3m3r s ARG 251 Cb -0.09 -0.99 0.01 0.00 -1.56 0.00 0.00 34.95 32.32 3m3r s ARG 251 CO -0.01 0.04 -0.17 0.08 -0.81 0.00 0.00 175.30 174.43 3m3r s VAL 252 N 0.51 2.43 -0.04 7.11 1.01 0.26 -0.02 120.40 131.66 3m3r s VAL 252 Ca -0.08 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.08 3m3r s VAL 252 Cb -0.12 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 3m3r s VAL 252 CO 0.01 0.52 -0.06 -0.13 0.00 0.00 0.00 175.10 175.44 3m3r s ARG 253 N 1.09 2.68 0.44 2.72 0.52 0.11 0.32 118.95 126.83 3m3r s ARG 253 Ca -0.00 -0.61 0.08 0.00 -0.52 0.00 0.00 55.73 54.67 3m3r s ARG 253 Cb -0.14 -2.57 0.00 0.00 0.52 0.00 0.00 34.95 32.77 3m3r s ARG 253 CO -0.06 0.64 0.49 -0.51 0.02 0.00 0.00 175.30 175.88 3m3r s ASP 254 N -1.08 5.24 -0.25 0.23 1.11 0.50 -0.62 116.67 121.79 3m3r s ASP 254 Ca 0.15 -0.67 0.03 0.00 0.18 0.00 0.00 52.55 52.23 3m3r s ASP 254 Cb -0.11 -0.45 0.06 0.00 1.07 0.00 0.00 42.92 43.49 3m3r s ASP 254 CO 0.04 -0.79 -0.10 -0.62 1.18 0.00 0.00 175.17 174.88 3m3r s ASP 255 N -4.27 4.32 -0.50 0.27 2.15 0.54 -2.33 116.67 116.85 3m3r s ASP 255 Ca 0.51 -1.35 -0.12 0.00 0.43 0.00 0.00 52.55 52.02 3m3r s ASP 255 Cb -0.06 -1.47 0.12 0.00 -0.30 0.00 0.00 42.92 41.22 3m3r s ASP 255 CO 0.30 -0.20 0.42 -0.47 -0.17 0.00 0.00 175.17 175.05 3m3r s TYR 256 N 1.16 3.34 -0.02 -5.34 6.14 0.87 0.67 117.35 124.17 3m3r s TYR 256 Ca -0.08 -1.59 -0.13 0.00 0.64 0.00 0.00 57.07 55.91 3m3r s TYR 256 Cb -0.20 -3.63 -0.05 0.00 0.42 0.00 0.00 41.96 38.50 3m3r s TYR 256 CO -0.05 -1.00 0.36 -0.65 0.64 0.00 0.00 175.55 174.85 3m3r s GLN 257 N 1.48 3.85 -0.08 4.97 -0.21 0.14 -1.35 119.66 128.46 3m3r s GLN 257 Ca 0.04 0.32 0.04 0.00 0.02 0.00 0.00 55.36 55.79 3m3r s GLN 257 Cb -0.28 -3.22 -0.01 0.00 1.00 0.00 0.00 33.01 30.50 3m3r s GLN 257 CO 0.01 0.70 -0.22 -0.51 -2.12 0.00 0.00 175.29 173.15 3m3r s LEU 258 N -1.04 2.22 -0.03 2.90 1.43 -0.34 -0.98 118.68 122.84 3m3r s LEU 258 Ca 0.22 -0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 52.78 3m3r s LEU 258 Cb -0.16 -1.43 0.01 0.00 0.03 0.00 0.00 46.19 44.64 3m3r s LEU 258 CO 0.12 0.22 0.16 -1.38 0.23 0.00 0.00 176.35 175.70 3m3r s HIS 259 N -0.01 -0.08 -0.49 0.29 -3.43 -0.85 -2.26 115.29 108.47 3m3r s HIS 259 Ca -0.07 0.17 -0.20 0.00 -0.80 0.00 0.00 55.06 54.15 3m3r s HIS 259 Cb -0.15 0.01 0.04 0.00 -1.43 0.00 0.00 32.58 31.05 3m3r s HIS 259 CO 0.05 -0.20 0.66 -0.46 -2.00 0.00 0.00 174.74 172.79 3m3r s TRP 260 N -0.67 3.03 0.07 0.38 -0.11 -0.51 -2.22 118.94 118.90 3m3r s TRP 260 Ca -0.08 -0.31 -0.35 0.00 1.22 0.00 0.00 56.10 56.58 3m3r s TRP 260 Cb -0.04 -3.51 -0.18 0.00 -1.50 0.00 0.00 33.47 28.23 3m3r s TRP 260 CO 0.01 -1.00 1.53 1.79 -4.62 0.00 0.00 176.95 174.65 3m3r h THR 261 N 5.88 0.00 0.00 5.86 1.35 -1.88 -3.47 112.91 120.65 3m3r h THR 261 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 3m3r h THR 261 Cb 1.09 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 3m3r h THR 261 CO 0.95 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.68 3m3r n SER 262 N -5.39 0.00 -0.04 5.36 3.41 -1.26 -4.98 113.62 110.71 3m3r n SER 262 Ca -0.14 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.42 3m3r n SER 262 Cb 0.47 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 3m3r n SER 262 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3m3r n THR 263 N 0.00 0.59 -3.64 6.66 -2.24 -1.26 -5.10 114.28 109.28 3m3r n THR 263 Ca 0.00 -0.34 -0.05 0.00 -2.27 0.00 0.00 64.05 61.39 3m3r n THR 263 Cb 0.00 -0.79 -0.01 0.00 -2.10 0.00 0.00 70.33 67.43 3m3r n THR 263 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3m3r n ASN 264 N -2.40 -0.56 -4.79 3.42 6.94 -1.26 -4.91 115.26 111.69 3m3r n ASN 264 Ca -0.15 -1.65 -0.37 0.00 -0.02 0.00 0.00 54.58 52.39 3m3r n ASN 264 Cb 0.76 1.01 -0.06 0.00 -2.36 0.00 0.00 39.78 39.13 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 -4.79 3.60 -0.01 -2.53 0.52 0.16 -2.94 118.94 112.94 3m3r s TRP 265 Ca 0.09 0.78 0.04 0.00 0.02 0.00 0.00 56.10 57.02 3m3r s TRP 265 Cb -0.01 -2.28 -0.01 0.00 -1.15 0.00 0.00 33.47 30.03 3m3r s TRP 265 CO 0.07 0.47 -0.12 0.21 0.02 0.00 0.00 176.95 177.60 3m3r s LYS 266 N -0.38 1.01 0.13 4.98 2.20 -0.94 -4.46 119.74 122.28 3m3r s LYS 266 Ca 0.20 -0.42 0.11 0.00 -0.36 0.00 0.00 55.97 55.50 3m3r s LYS 266 Cb -0.15 -0.96 -0.04 0.00 -1.51 0.00 0.00 37.83 35.17 3m3r s LYS 266 CO 0.08 0.23 -0.27 0.20 -0.36 0.00 0.00 175.35 175.24 3m3r s GLY 267 N -0.19 1.59 0.02 5.54 0.00 0.26 -2.00 107.32 112.53 3m3r s GLY 267 Ca 0.03 -1.48 0.01 0.00 0.00 0.00 0.00 44.72 43.29 3m3r s GLY 267 CO -0.00 -1.46 -0.05 -1.08 0.00 0.00 0.00 173.10 170.51 3m3r s THR 268 N -1.10 0.34 -0.07 0.90 -1.32 -0.15 0.02 115.64 114.26 3m3r s THR 268 Ca 0.15 -0.63 0.02 0.00 -1.21 0.00 0.00 61.69 60.02 3m3r s THR 268 Cb -0.10 -0.38 0.01 0.00 -1.51 0.00 0.00 72.50 70.53 3m3r s THR 268 CO 0.06 -0.20 -0.12 0.21 -2.21 0.00 0.00 174.62 172.37 3m3r s ASN 269 N -0.88 1.79 -0.24 8.08 2.47 -1.26 0.29 114.94 125.19 3m3r s ASN 269 Ca -0.06 -0.30 -0.06 0.00 0.42 0.00 0.00 52.86 52.86 3m3r s ASN 269 Cb -0.06 -0.82 -0.02 0.00 -1.45 0.00 0.00 41.25 38.89 3m3r s ASN 269 CO -0.00 0.02 0.03 -0.89 -3.72 0.00 0.00 177.10 172.54 3m3r s THR 270 N 0.72 3.95 0.40 -5.21 2.01 0.21 -4.92 115.64 112.80 3m3r s THR 270 Ca -0.13 -0.30 -0.25 0.00 0.31 0.00 0.00 61.69 61.32 3m3r s THR 270 Cb -0.16 -2.83 -0.08 0.00 0.01 0.00 0.00 72.50 69.44 3m3r s THR 270 CO 0.03 0.37 1.18 -0.54 -0.69 0.00 0.00 174.62 174.97 3m3r s LYS 271 N 1.55 4.05 -1.55 4.92 1.02 -1.26 -0.34 119.74 128.13 3m3r s LYS 271 Ca 0.06 1.86 -0.03 0.00 0.02 0.00 0.00 55.97 57.88 3m3r s LYS 271 Cb -0.15 -2.68 0.03 0.00 -0.52 0.00 0.00 37.83 34.51 3m3r s LYS 271 CO 0.01 -0.33 0.19 -0.25 -0.92 0.00 0.00 175.35 174.05 3m3r n ASP 272 N 0.08 0.22 0.02 2.83 10.43 -1.25 -4.86 116.55 124.02 3m3r n ASP 272 Ca 0.04 -1.20 -0.03 0.00 2.57 0.00 0.00 54.79 56.17 3m3r n ASP 272 Cb 0.46 -1.99 0.20 0.00 1.84 0.00 0.00 41.12 41.64 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 -1.70 0.48 -4.43 -1.24 1.63 -1.01 -3.45 116.57 106.84 3m3r h LYS 273 Ca -0.64 -0.18 -0.27 0.00 -0.85 0.00 0.00 60.65 58.71 3m3r h LYS 273 Cb 1.39 -0.03 -0.22 0.00 -0.60 0.00 0.00 32.23 32.77 3m3r h LYS 273 CO 0.71 0.69 -0.73 -1.58 -3.45 0.00 0.00 179.45 175.09 3m3r s TRP 274 N -4.51 0.57 -0.17 1.91 0.51 -0.84 -5.02 118.94 111.39 3m3r s TRP 274 Ca -0.07 -0.43 -0.02 0.00 -2.12 0.00 0.00 56.10 53.46 3m3r s TRP 274 Cb 0.14 -0.35 0.05 0.00 -0.81 0.00 0.00 33.47 32.50 3m3r s TRP 274 CO 0.79 -0.08 0.02 0.99 -0.51 0.00 0.00 176.95 178.16 3m3r s THR 275 N -1.17 0.55 -0.35 2.01 2.01 -1.26 -0.71 115.64 116.72 3m3r s THR 275 Ca -0.09 -0.44 -0.16 0.00 0.31 0.00 0.00 61.69 61.32 3m3r s THR 275 Cb -0.09 -0.96 -0.01 0.00 0.01 0.00 0.00 72.50 71.45 3m3r s THR 275 CO 0.00 -0.09 0.38 -1.81 -0.69 0.00 0.00 174.62 172.41 3m3r s ASP 276 N 1.86 6.19 -0.13 3.53 1.01 0.98 -4.95 116.67 125.15 3m3r s ASP 276 Ca 0.00 -0.28 0.02 0.00 0.71 0.00 0.00 52.55 53.00 3m3r s ASP 276 Cb -0.16 -2.20 0.00 0.00 1.01 0.00 0.00 42.92 41.57 3m3r s ASP 276 CO -0.07 -0.38 -0.20 -0.60 0.21 0.00 0.00 175.17 174.12 3m3r s ARG 277 N 2.05 3.10 -0.30 8.23 3.52 -1.26 -0.24 118.95 134.06 3m3r s ARG 277 Ca 0.12 -0.83 0.02 0.00 -0.13 0.00 0.00 55.73 54.91 3m3r s ARG 277 Cb -0.17 -2.45 0.09 0.00 -1.56 0.00 0.00 34.95 30.86 3m3r s ARG 277 CO 0.12 0.07 0.03 0.45 -0.81 0.00 0.00 175.30 175.15 3m3r s SER 278 N 0.64 4.29 0.11 -2.12 0.15 0.31 -5.00 113.70 112.09 3m3r s SER 278 Ca -0.10 -1.71 0.02 0.00 0.70 0.00 0.00 55.95 54.85 3m3r s SER 278 Cb -0.16 -1.28 -0.04 0.00 -1.71 0.00 0.00 66.02 62.83 3m3r s SER 278 CO 0.02 -0.34 0.22 -0.55 1.20 0.00 0.00 173.24 173.79 3m3r s SER 279 N 1.25 6.21 -0.23 5.45 0.15 -1.26 -0.97 113.70 124.30 3m3r s SER 279 Ca 0.05 0.17 -0.18 0.00 0.70 0.00 0.00 55.95 56.69 3m3r s SER 279 Cb -0.18 -1.86 0.06 0.00 -1.71 0.00 0.00 66.02 62.33 3m3r s SER 279 CO -0.12 0.11 0.59 -0.70 1.20 0.00 0.00 173.24 174.32 3m3r s GLU 280 N -2.85 0.66 -0.08 5.44 2.12 0.16 -4.98 118.70 119.16 3m3r s GLU 280 Ca 0.34 0.91 -0.10 0.00 0.36 0.00 0.00 54.97 56.48 3m3r s GLU 280 Cb -0.12 0.25 -0.05 0.00 0.26 0.00 0.00 34.13 34.47 3m3r s GLU 280 CO 0.27 -0.11 0.23 0.50 -0.54 0.00 0.00 175.26 175.61 3m3r s ARG 281 N 0.75 3.61 0.16 4.30 3.52 -1.26 -0.40 118.95 129.64 3m3r s ARG 281 Ca -0.03 0.05 0.09 0.00 -0.13 0.00 0.00 55.73 55.70 3m3r s ARG 281 Cb -0.05 -3.21 -0.04 0.00 -1.56 0.00 0.00 34.95 30.09 3m3r s ARG 281 CO -0.06 0.74 -0.19 0.71 -0.81 0.00 0.00 175.30 175.69 3m3r s TYR 282 N -1.01 1.87 -0.15 5.12 2.02 0.63 -4.63 117.35 121.19 3m3r s TYR 282 Ca 0.18 -0.45 -0.00 0.00 -0.37 0.00 0.00 57.07 56.42 3m3r s TYR 282 Cb -0.14 -0.94 -0.01 0.00 -0.40 0.00 0.00 41.96 40.47 3m3r s TYR 282 CO 0.07 0.33 -0.13 0.15 -1.57 0.00 0.00 175.55 174.40 3m3r s LYS 283 N -2.66 3.29 -0.22 -0.62 3.01 0.48 -1.67 119.74 121.35 3m3r s LYS 283 Ca 0.15 -0.71 -0.09 0.00 -1.01 0.00 0.00 55.97 54.31 3m3r s LYS 283 Cb -0.07 -2.67 -0.04 0.00 -1.01 0.00 0.00 37.83 34.04 3m3r s LYS 283 CO 0.07 0.06 0.12 0.42 0.51 0.00 0.00 175.35 176.52 3m3r s ILE 284 N 0.73 5.03 -0.32 2.17 1.01 0.15 -1.72 121.20 128.26 3m3r s ILE 284 Ca -0.06 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.65 3m3r s ILE 284 Cb -0.15 -3.32 0.07 0.00 0.01 0.00 0.00 42.46 39.07 3m3r s ILE 284 CO 0.01 0.38 0.03 -0.62 0.00 0.00 0.00 174.94 174.74 3m3r s ASP 285 N 0.90 4.85 0.14 3.58 3.68 -0.72 -0.68 116.67 128.41 3m3r s ASP 285 Ca 0.06 -1.61 0.22 0.00 2.13 0.00 0.00 52.55 53.34 3m3r s ASP 285 Cb -0.13 -1.68 0.87 0.00 -1.45 0.00 0.00 42.92 40.52 3m3r s ASP 285 CO 0.03 -0.32 1.67 0.79 0.13 0.00 0.00 175.17 177.46 3m3r n TRP 286 N 4.51 0.47 -0.08 -5.34 7.02 -0.77 -0.11 117.44 123.13 3m3r n TRP 286 Ca -0.08 0.17 -0.23 0.00 -1.02 0.00 0.00 57.50 56.34 3m3r n TRP 286 Cb 0.42 -0.77 -0.12 0.00 -2.42 0.00 0.00 31.31 28.42 3m3r n TRP 286 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 3m3r n GLU 287 N -1.91 0.63 0.20 -0.99 1.02 -1.26 -4.20 120.64 114.12 3m3r n GLU 287 Ca 0.04 0.43 0.09 0.00 -0.02 0.00 0.00 57.16 57.70 3m3r n GLU 287 Cb 0.25 -1.70 0.16 0.00 -0.02 0.00 0.00 31.44 30.14 3m3r n GLU 287 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3m3r h LYS 288 N -0.65 0.00 -5.24 3.49 1.57 -1.92 -3.47 116.57 110.34 3m3r h LYS 288 Ca -0.43 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.12 3m3r h LYS 288 Cb 1.58 0.00 0.18 0.00 0.08 0.00 0.00 32.23 34.07 3m3r h LYS 288 CO -0.15 0.15 -0.78 0.39 -0.57 0.00 0.00 179.45 178.49 3m3r n GLU 289 N -3.14 -2.24 -3.73 3.15 1.02 0.84 -5.04 120.64 111.49 3m3r n GLU 289 Ca 0.03 0.79 -0.14 0.00 -0.02 0.00 0.00 57.16 57.83 3m3r n GLU 289 Cb 0.58 -5.46 -0.08 0.00 -0.02 0.00 0.00 31.44 26.45 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 -4.31 0.69 -0.07 3.49 -1.05 -1.09 -4.85 118.70 111.51 3m3r s GLU 290 Ca 0.40 -0.07 0.04 0.00 -0.15 0.00 0.00 54.97 55.19 3m3r s GLU 290 Cb -0.05 0.31 -0.02 0.00 -0.44 0.00 0.00 34.13 33.93 3m3r s GLU 290 CO 0.67 -0.19 -0.18 -1.64 0.95 0.00 0.00 175.26 174.88 3m3r s MET 291 N -1.16 2.68 0.14 -4.83 -1.94 -1.26 -1.75 119.30 111.18 3m3r s MET 291 Ca -0.12 -0.77 0.01 0.00 -1.71 0.00 0.00 55.69 53.10 3m3r s MET 291 Cb -0.04 -2.35 -0.04 0.00 2.01 0.00 0.00 34.83 34.40 3m3r s MET 291 CO 0.05 0.46 -0.00 0.95 -0.01 0.00 0.00 175.02 176.46 3m3r s THR 292 N -0.33 0.53 0.00 2.05 -4.23 -0.70 -4.96 115.64 108.00 3m3r s THR 292 Ca 0.02 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 3m3r s THR 292 Cb -0.13 -1.97 0.00 0.00 1.34 0.00 0.00 72.50 71.75 3m3r s THR 292 CO 0.02 -0.60 0.00 -0.46 -0.54 0.00 0.00 174.62 173.05