#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 0.47 0.83 0.00 3.32 -1.95 1.26 116.42 120.35 3m3r h ASP 2 Ca 0.00 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3m3r h ASP 2 Cb 0.00 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 3m3r h ASP 2 CO 0.00 0.09 -0.02 0.77 -1.72 0.00 0.00 179.24 178.35 3m3r h SER 3 N 0.41 0.00 1.26 6.45 4.64 -1.93 -0.54 113.55 123.84 3m3r h SER 3 Ca 0.60 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.91 3m3r h SER 3 Cb 1.49 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.58 3m3r h SER 3 CO -0.32 0.02 -0.06 0.44 -0.87 0.00 0.00 176.83 176.05 3m3r h ASP 4 N 0.00 0.00 -0.17 4.97 3.45 0.13 -2.98 116.42 121.82 3m3r h ASP 4 Ca -0.00 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.38 3m3r h ASP 4 Cb 0.44 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 39.17 3m3r h ASP 4 CO 0.00 0.06 -0.22 2.30 -1.57 0.00 0.00 179.24 179.82 3m3r n ILE 5 N -3.15 2.32 -2.78 0.35 -5.35 -0.33 -4.98 119.36 105.44 3m3r n ILE 5 Ca 0.01 -2.80 -0.19 0.00 -0.27 0.00 0.00 62.75 59.50 3m3r n ILE 5 Cb 0.40 -0.28 0.01 0.00 -1.74 0.00 0.00 39.64 38.03 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 -1.11 -4.98 -4.44 7.28 4.13 -1.03 -5.00 115.26 110.12 3m3r n ASN 6 Ca 0.25 -0.11 -0.33 0.00 1.68 0.00 0.00 54.58 56.07 3m3r n ASN 6 Cb 0.85 -4.11 -0.14 0.00 -1.54 0.00 0.00 39.78 34.84 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 -2.94 3.05 0.06 2.41 1.01 -0.51 -5.00 121.20 119.28 3m3r s ILE 7 Ca 0.17 -0.71 -0.36 0.00 0.00 0.00 0.00 60.65 59.75 3m3r s ILE 7 Cb -0.08 -2.22 -0.15 0.00 0.01 0.00 0.00 42.46 40.01 3m3r s ILE 7 CO 0.21 0.57 1.48 1.17 0.00 0.00 0.00 174.94 178.37 3m3r n LYS 8 N 2.70 1.50 -1.63 2.79 4.81 -1.26 -3.79 118.16 123.28 3m3r n LYS 8 Ca -0.17 0.54 -0.49 0.00 -0.87 0.00 0.00 58.31 57.32 3m3r n LYS 8 Cb 0.52 -2.24 -0.05 0.00 0.02 0.00 0.00 35.03 33.29 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 3.14 0.14 0.00 3.15 -1.04 -1.26 -1.44 114.28 116.98 3m3r n THR 9 Ca 0.19 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 3m3r n THR 9 Cb 0.22 -1.18 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 2.84 2.15 0.41 3.41 0.00 -1.26 -4.93 105.19 107.81 3m3r n GLY 10 Ca 0.17 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.40 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 0.66 -0.31 2.61 2.02 -1.59 -0.95 112.91 115.35 3m3r h THR 11 Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3m3r h THR 11 Cb 0.00 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 3m3r h THR 11 CO 0.00 0.05 0.00 0.35 0.37 0.00 0.00 175.52 176.29 3m3r n THR 12 N -4.44 0.39 -2.67 3.16 -2.24 -1.26 -4.95 114.28 102.26 3m3r n THR 12 Ca 0.18 -0.66 -0.33 0.00 -2.27 0.00 0.00 64.05 60.97 3m3r n THR 12 Cb 0.74 0.97 -0.05 0.00 -2.10 0.00 0.00 70.33 69.89 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 -1.58 6.66 0.25 3.42 1.01 -0.36 -5.06 116.67 121.02 3m3r s ASP 13 Ca 0.37 1.78 -0.06 0.00 0.71 0.00 0.00 52.55 55.34 3m3r s ASP 13 Cb 0.22 -2.55 -0.06 0.00 1.01 0.00 0.00 42.92 41.55 3m3r s ASP 13 CO 0.31 -0.56 0.52 -0.63 0.21 0.00 0.00 175.17 175.02 3m3r s ILE 14 N -2.14 5.03 0.00 0.77 1.01 -1.26 -4.71 121.20 119.89 3m3r s ILE 14 Ca 0.64 0.14 0.00 0.00 0.00 0.00 0.00 60.65 61.43 3m3r s ILE 14 Cb -0.12 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.66 3m3r s ILE 14 CO 0.17 -0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.53 3m3r n GLY 15 N -0.57 1.35 3.79 6.18 0.00 -1.26 -5.11 105.19 109.56 3m3r n GLY 15 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.99 6.74 -1.51 1.61 1.04 -1.26 -3.61 113.70 114.72 3m3r s SER 16 Ca 0.00 1.99 -0.12 0.00 0.48 0.00 0.00 55.95 58.30 3m3r s SER 16 Cb 0.00 -2.58 0.07 0.00 0.10 0.00 0.00 66.02 63.62 3m3r s SER 16 CO 0.00 -0.50 0.97 0.59 0.98 0.00 0.00 173.24 175.28 3m3r n ASN 17 N -0.19 -4.59 -3.96 7.02 3.02 -1.26 -4.95 115.26 110.35 3m3r n ASN 17 Ca 0.06 -0.77 -0.18 0.00 -0.03 0.00 0.00 54.58 53.66 3m3r n ASN 17 Cb 0.50 -3.96 -0.15 0.00 -0.61 0.00 0.00 39.78 35.56 3m3r n ASN 17 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3m3r s THR 18 N -3.34 0.54 -0.27 3.41 2.01 -1.24 -4.93 115.64 111.83 3m3r s THR 18 Ca 0.60 -0.24 -0.20 0.00 0.31 0.00 0.00 61.69 62.16 3m3r s THR 18 Cb -0.30 -0.49 -0.02 0.00 0.01 0.00 0.00 72.50 71.71 3m3r s THR 18 CO 0.82 0.17 0.63 -0.89 -0.69 0.00 0.00 174.62 174.66 3m3r s THR 19 N 0.15 4.97 -0.14 -0.82 2.01 -1.26 -5.03 115.64 115.52 3m3r s THR 19 Ca -0.02 1.03 -0.12 0.00 0.31 0.00 0.00 61.69 62.90 3m3r s THR 19 Cb -0.06 -3.95 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 3m3r s THR 19 CO -0.00 -0.03 0.23 -0.69 -0.69 0.00 0.00 174.62 173.45 3m3r s VAL 20 N 2.53 5.34 -0.22 3.82 1.01 -1.26 -4.73 120.40 126.89 3m3r s VAL 20 Ca 0.26 0.42 -0.08 0.00 0.00 0.00 0.00 61.98 62.58 3m3r s VAL 20 Cb -0.15 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 3m3r s VAL 20 CO 0.10 0.47 0.07 -0.54 0.00 0.00 0.00 175.10 175.20 3m3r s LYS 21 N -0.06 3.82 0.35 2.72 -0.14 -1.15 -4.96 119.74 120.32 3m3r s LYS 21 Ca 0.15 -0.41 0.08 0.00 -1.36 0.00 0.00 55.97 54.43 3m3r s LYS 21 Cb -0.13 -3.29 -0.07 0.00 -1.68 0.00 0.00 37.83 32.67 3m3r s LYS 21 CO 0.04 0.04 -0.05 0.95 -0.76 0.00 0.00 175.35 175.56 3m3r s THR 22 N 1.02 2.03 0.09 2.17 -4.23 -1.26 -0.44 115.64 115.03 3m3r s THR 22 Ca 0.04 -2.13 -0.25 0.00 -1.18 0.00 0.00 61.69 58.17 3m3r s THR 22 Cb -0.14 -2.73 0.08 0.00 1.34 0.00 0.00 72.50 71.05 3m3r s THR 22 CO 0.03 -0.15 0.71 -0.83 -0.54 0.00 0.00 174.62 173.84 3m3r s GLY 23 N -3.61 -0.56 -0.06 3.99 0.00 -0.71 -4.98 107.32 101.40 3m3r s GLY 23 Ca 0.33 0.72 0.04 0.00 0.00 0.00 0.00 44.72 45.80 3m3r s GLY 23 CO 0.16 0.25 -0.17 0.99 0.00 0.00 0.00 173.10 174.34 3m3r s ASP 24 N -2.59 2.21 -0.18 1.64 1.11 -1.26 -1.64 116.67 115.95 3m3r s ASP 24 Ca 0.02 -0.37 -0.03 0.00 0.18 0.00 0.00 52.55 52.35 3m3r s ASP 24 Cb -0.01 -0.77 0.06 0.00 1.07 0.00 0.00 42.92 43.27 3m3r s ASP 24 CO -0.11 0.13 0.04 -0.76 1.18 0.00 0.00 175.17 175.65 3m3r s LEU 25 N 0.22 1.05 -0.08 1.23 1.02 -0.12 -4.99 118.68 117.01 3m3r s LEU 25 Ca -0.08 -0.75 0.00 0.00 0.02 0.00 0.00 54.13 53.32 3m3r s LEU 25 Cb -0.13 -0.55 -0.03 0.00 0.02 0.00 0.00 46.19 45.50 3m3r s LEU 25 CO 0.03 -0.30 -0.07 -0.69 0.02 0.00 0.00 176.35 175.34 3m3r s VAL 26 N 1.90 3.63 -0.01 -1.59 1.01 -1.26 -0.59 120.40 123.50 3m3r s VAL 26 Ca -0.00 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3m3r s VAL 26 Cb -0.17 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.72 3m3r s VAL 26 CO -0.08 0.58 -0.01 -0.89 0.00 0.00 0.00 175.10 174.70 3m3r s THR 27 N -0.58 0.14 -0.21 3.92 2.01 0.96 -5.01 115.64 116.87 3m3r s THR 27 Ca 0.09 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.07 3m3r s THR 27 Cb -0.12 -0.15 0.04 0.00 0.01 0.00 0.00 72.50 72.28 3m3r s THR 27 CO 0.02 0.06 -0.14 -0.47 -0.69 0.00 0.00 174.62 173.40 3m3r s TYR 28 N 0.19 2.86 -0.59 4.92 6.14 -1.26 0.03 117.35 129.63 3m3r s TYR 28 Ca -0.02 -1.87 -0.22 0.00 0.64 0.00 0.00 57.07 55.60 3m3r s TYR 28 Cb -0.04 -1.85 0.06 0.00 0.42 0.00 0.00 41.96 40.56 3m3r s TYR 28 CO -0.01 -0.82 0.87 0.34 0.64 0.00 0.00 175.55 176.58 3m3r s ASP 29 N 1.25 6.23 0.07 4.32 3.68 0.09 -4.91 116.67 127.40 3m3r s ASP 29 Ca -0.02 -0.82 -0.23 0.00 2.13 0.00 0.00 52.55 53.62 3m3r s ASP 29 Cb -0.16 -2.39 -0.14 0.00 -1.45 0.00 0.00 42.92 38.77 3m3r s ASP 29 CO -0.09 -1.25 1.63 0.11 0.13 0.00 0.00 175.17 175.70 3m3r h LYS 30 N 9.35 0.08 -0.48 4.34 1.57 -1.97 0.11 116.57 129.57 3m3r h LYS 30 Ca -0.28 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.55 3m3r h LYS 30 Cb 1.08 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.32 3m3r h LYS 30 CO 1.11 0.18 0.18 1.49 -0.57 0.00 0.00 179.45 181.83 3m3r h GLU 31 N -0.04 0.35 -0.21 3.15 4.81 -1.98 -2.12 114.58 118.53 3m3r h GLU 31 Ca 0.02 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3m3r h GLU 31 Cb 0.13 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.43 3m3r h GLU 31 CO -0.00 0.23 0.00 0.09 -0.73 0.00 0.00 179.01 178.60 3m3r n ASN 32 N -5.00 2.08 -3.63 1.04 3.02 -1.20 -4.97 115.26 106.60 3m3r n ASN 32 Ca 0.05 -1.78 -0.29 0.00 -0.03 0.00 0.00 54.58 52.53 3m3r n ASN 32 Cb 0.19 -0.13 0.05 0.00 -0.61 0.00 0.00 39.78 39.27 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 1.22 -0.99 2.78 7.41 0.00 0.28 -4.83 105.19 111.06 3m3r n GLY 33 Ca 0.17 0.46 -0.20 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 -5.79 0.40 -0.44 1.61 -1.94 -0.67 -2.59 119.30 109.88 3m3r s MET 34 Ca 0.46 0.12 -0.17 0.00 -1.71 0.00 0.00 55.69 54.39 3m3r s MET 34 Cb -0.15 -0.70 0.04 0.00 2.01 0.00 0.00 34.83 36.03 3m3r s MET 34 CO 0.85 -0.22 0.45 -1.58 -0.01 0.00 0.00 175.02 174.51 3m3r s HIS 35 N 1.54 3.17 -0.21 -0.03 2.46 0.12 -0.73 115.29 121.60 3m3r s HIS 35 Ca -0.02 -0.50 -0.05 0.00 0.47 0.00 0.00 55.06 54.96 3m3r s HIS 35 Cb -0.13 -3.02 -0.02 0.00 -0.13 0.00 0.00 32.58 29.28 3m3r s HIS 35 CO -0.03 -0.76 -0.00 0.15 -2.47 0.00 0.00 174.74 171.63 3m3r s LYS 36 N 2.11 3.56 -0.05 2.88 1.02 0.10 0.45 119.74 129.80 3m3r s LYS 36 Ca 0.11 -0.54 0.03 0.00 0.02 0.00 0.00 55.97 55.59 3m3r s LYS 36 Cb -0.19 -3.10 0.01 0.00 -0.52 0.00 0.00 37.83 34.03 3m3r s LYS 36 CO 0.12 -0.07 -0.14 0.21 -0.92 0.00 0.00 175.35 174.55 3m3r s LYS 37 N 1.22 1.65 -0.13 1.68 2.36 -1.25 -0.02 119.74 125.25 3m3r s LYS 37 Ca 0.03 -0.48 -0.00 0.00 -2.55 0.00 0.00 55.97 52.97 3m3r s LYS 37 Cb -0.15 -1.40 -0.02 0.00 -1.05 0.00 0.00 37.83 35.22 3m3r s LYS 37 CO 0.01 0.12 -0.12 0.08 1.55 0.00 0.00 175.35 176.99 3m3r s VAL 38 N 0.37 3.14 -0.20 4.02 1.01 0.24 -0.87 120.40 128.12 3m3r s VAL 38 Ca -0.09 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.27 3m3r s VAL 38 Cb -0.13 -2.32 0.03 0.00 0.00 0.00 0.00 36.38 33.96 3m3r s VAL 38 CO 0.03 0.53 -0.16 0.12 0.00 0.00 0.00 175.10 175.61 3m3r s PHE 39 N 0.28 2.75 0.29 5.22 5.36 -0.16 -0.94 117.98 130.79 3m3r s PHE 39 Ca -0.09 -1.73 0.11 0.00 -0.96 0.00 0.00 56.93 54.26 3m3r s PHE 39 Cb -0.15 -1.84 -0.05 0.00 -0.34 0.00 0.00 43.02 40.63 3m3r s PHE 39 CO 0.05 -0.80 -0.15 1.52 -1.46 0.00 0.00 175.22 174.39 3m3r s TYR 40 N 1.29 2.37 -0.17 10.12 1.13 -0.65 0.16 117.35 131.59 3m3r s TYR 40 Ca 0.01 -0.36 -0.06 0.00 -1.41 0.00 0.00 57.07 55.25 3m3r s TYR 40 Cb -0.15 -1.11 0.08 0.00 -1.10 0.00 0.00 41.96 39.68 3m3r s TYR 40 CO -0.10 0.67 0.36 -1.12 -2.51 0.00 0.00 175.55 172.85 3m3r s SER 41 N -3.56 -0.06 -0.23 -0.18 0.01 -0.15 -1.73 113.70 107.81 3m3r s SER 41 Ca 0.31 0.85 -0.17 0.00 1.31 0.00 0.00 55.95 58.25 3m3r s SER 41 Cb -0.03 1.10 -0.03 0.00 0.21 0.00 0.00 66.02 67.26 3m3r s SER 41 CO 0.16 -0.23 0.46 -0.36 0.41 0.00 0.00 173.24 173.67 3m3r s PHE 42 N 2.49 3.32 -0.33 2.43 0.40 0.42 -0.69 117.98 126.02 3m3r s PHE 42 Ca -0.01 0.63 0.04 0.00 -0.60 0.00 0.00 56.93 56.99 3m3r s PHE 42 Cb -0.12 -2.62 0.10 0.00 0.51 0.00 0.00 43.02 40.89 3m3r s PHE 42 CO -0.11 -0.14 0.04 0.42 0.70 0.00 0.00 175.22 176.12 3m3r s ILE 43 N 1.78 2.27 -1.02 0.64 1.01 0.73 -2.94 121.20 123.67 3m3r s ILE 43 Ca 0.20 -2.29 -0.03 0.00 0.00 0.00 0.00 60.65 58.53 3m3r s ILE 43 Cb -0.15 -2.65 0.29 0.00 0.01 0.00 0.00 42.46 39.96 3m3r s ILE 43 CO 0.09 -0.56 1.31 -0.67 0.00 0.00 0.00 174.94 175.11 3m3r n ASP 44 N 4.27 5.86 -4.63 3.58 4.64 -1.26 -1.39 116.55 127.61 3m3r n ASP 44 Ca 0.03 -3.36 -0.43 0.00 -1.38 0.00 0.00 54.79 49.65 3m3r n ASP 44 Cb 0.42 -1.20 -0.02 0.00 -1.04 0.00 0.00 41.12 39.28 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 -1.39 6.75 0.02 1.67 3.68 -1.26 -4.91 116.67 121.23 3m3r s ASP 45 Ca 0.32 1.14 0.12 0.00 2.13 0.00 0.00 52.55 56.26 3m3r s ASP 45 Cb 0.04 -2.54 0.51 0.00 -1.45 0.00 0.00 42.92 39.48 3m3r s ASP 45 CO 0.06 -1.03 1.38 0.29 0.13 0.00 0.00 175.17 176.00 3m3r n LYS 46 N 7.20 0.01 -0.29 4.34 4.76 -1.26 -1.50 118.16 131.43 3m3r n LYS 46 Ca 0.14 0.32 0.12 0.00 -2.87 0.00 0.00 58.31 56.02 3m3r n LYS 46 Cb 0.47 -1.53 0.27 0.00 -1.84 0.00 0.00 35.03 32.40 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 -1.55 3.72 -4.64 4.39 3.02 -1.26 -4.86 115.26 114.08 3m3r n ASN 47 Ca 0.03 -1.99 -0.32 0.00 -0.03 0.00 0.00 54.58 52.26 3m3r n ASN 47 Cb 0.13 -0.38 -0.10 0.00 -0.61 0.00 0.00 39.78 38.83 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 -1.21 2.97 -1.32 3.10 2.46 -0.56 -5.02 115.29 115.70 3m3r s HIS 48 Ca 0.44 0.01 0.16 0.00 0.47 0.00 0.00 55.06 56.14 3m3r s HIS 48 Cb 0.24 -1.62 0.79 0.00 -0.13 0.00 0.00 32.58 31.86 3m3r s HIS 48 CO 0.32 0.42 1.48 0.27 -2.47 0.00 0.00 174.74 174.77 3m3r n ASN 49 N 1.37 0.00 -3.79 9.88 6.94 -1.26 -4.82 115.26 123.58 3m3r n ASN 49 Ca -0.15 0.17 -0.09 0.00 -0.02 0.00 0.00 54.58 54.49 3m3r n ASN 49 Cb 0.53 -0.34 -0.06 0.00 -2.36 0.00 0.00 39.78 37.54 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 -2.68 0.98 0.67 -3.83 1.02 -1.26 -4.65 119.74 109.99 3m3r s LYS 50 Ca 0.13 -0.90 -0.12 0.00 0.02 0.00 0.00 55.97 55.10 3m3r s LYS 50 Cb 0.11 0.40 -0.00 0.00 -0.52 0.00 0.00 37.83 37.81 3m3r s LYS 50 CO 0.26 -0.35 1.06 0.15 -0.92 0.00 0.00 175.35 175.55 3m3r s LYS 51 N -3.86 3.02 0.01 1.68 1.02 -0.36 -4.63 119.74 116.63 3m3r s LYS 51 Ca 0.06 1.04 0.02 0.00 0.02 0.00 0.00 55.97 57.11 3m3r s LYS 51 Cb 0.03 -2.00 -0.01 0.00 -0.52 0.00 0.00 37.83 35.33 3m3r s LYS 51 CO -0.10 -1.04 -0.06 -0.51 -0.92 0.00 0.00 175.35 172.73 3m3r s LEU 52 N -5.24 2.11 -0.06 3.17 1.43 -0.49 -1.96 118.68 117.64 3m3r s LEU 52 Ca 0.60 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 3m3r s LEU 52 Cb -0.15 -0.21 0.02 0.00 0.03 0.00 0.00 46.19 45.89 3m3r s LEU 52 CO 0.49 -0.05 -0.08 -0.22 0.23 0.00 0.00 176.35 176.73 3m3r s LEU 53 N -0.71 1.39 -0.24 1.79 2.96 0.04 -0.19 118.68 123.72 3m3r s LEU 53 Ca -0.03 -0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 53.61 3m3r s LEU 53 Cb -0.05 -0.64 -0.01 0.00 0.50 0.00 0.00 46.19 45.98 3m3r s LEU 53 CO 0.00 -0.04 0.01 -0.69 -1.32 0.00 0.00 176.35 174.32 3m3r s VAL 54 N 0.98 3.79 -0.29 1.68 1.01 0.13 -0.82 120.40 126.89 3m3r s VAL 54 Ca -0.10 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 3m3r s VAL 54 Cb -0.15 -2.78 0.03 0.00 0.00 0.00 0.00 36.38 33.48 3m3r s VAL 54 CO 0.00 0.35 0.03 -0.63 0.00 0.00 0.00 175.10 174.84 3m3r s ILE 55 N 1.53 3.44 -0.25 2.22 1.01 0.16 -0.98 121.20 128.33 3m3r s ILE 55 Ca 0.06 -0.97 -0.09 0.00 0.00 0.00 0.00 60.65 59.64 3m3r s ILE 55 Cb -0.15 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 3m3r s ILE 55 CO 0.00 0.05 0.13 -0.13 0.00 0.00 0.00 174.94 174.99 3m3r s ARG 56 N 1.39 3.89 -0.27 2.79 0.52 0.12 -0.89 118.95 126.50 3m3r s ARG 56 Ca -0.00 -0.36 -0.10 0.00 -0.52 0.00 0.00 55.73 54.74 3m3r s ARG 56 Cb -0.18 -3.48 -0.05 0.00 0.52 0.00 0.00 34.95 31.77 3m3r s ARG 56 CO -0.00 -0.08 0.17 0.95 0.02 0.00 0.00 175.30 176.36 3m3r s THR 57 N 1.39 5.19 0.00 0.02 -4.23 0.67 -0.99 115.64 117.70 3m3r s THR 57 Ca 0.06 0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.70 3m3r s THR 57 Cb -0.15 -3.46 0.00 0.00 1.34 0.00 0.00 72.50 70.23 3m3r s THR 57 CO 0.06 0.27 0.00 0.29 -0.54 0.00 0.00 174.62 174.70 3m3r n LYS 58 N 4.98 0.94 0.00 3.99 5.02 -0.05 -2.20 118.16 130.84 3m3r n LYS 58 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 3m3r n LYS 58 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 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 2.62 -0.77 3.53 0.72 0.00 -1.26 -3.79 105.19 106.24 3m3r n GLY 59 Ca 0.00 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.01 -0.31 2.61 2.01 0.17 -3.60 115.64 116.51 3m3r s THR 60 Ca 0.00 0.02 -0.10 0.00 0.31 0.00 0.00 61.69 61.91 3m3r s THR 60 Cb 0.00 -0.88 -0.02 0.00 0.01 0.00 0.00 72.50 71.62 3m3r s THR 60 CO 0.00 0.01 0.17 -0.63 -0.69 0.00 0.00 174.62 173.48 3m3r s ILE 61 N 1.13 4.83 0.46 1.82 1.01 0.31 -0.70 121.20 130.06 3m3r s ILE 61 Ca -0.06 -0.29 -0.25 0.00 0.00 0.00 0.00 60.65 60.05 3m3r s ILE 61 Cb -0.05 -3.44 -0.08 0.00 0.01 0.00 0.00 42.46 38.90 3m3r s ILE 61 CO -0.11 0.09 1.41 0.00 0.00 0.00 0.00 174.94 176.32 3m3r n ALA 62 N 5.02 1.92 0.21 9.38 0.00 -1.07 -0.49 120.51 135.48 3m3r n ALA 62 Ca -0.14 0.24 -0.13 0.00 0.00 0.00 0.00 53.44 53.41 3m3r n ALA 62 Cb 0.50 -2.38 -0.08 0.00 0.00 0.00 0.00 19.45 17.50 3m3r n ALA 62 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3m3r h GLY 63 N 2.19 -0.59 -2.50 0.00 0.00 -0.22 -3.44 103.07 98.51 3m3r h GLY 63 Ca -0.50 0.22 -0.15 0.00 0.00 0.00 0.00 47.33 46.90 3m3r h GLY 63 CO 0.60 -0.21 -0.24 -1.06 0.00 0.00 0.00 176.54 175.63 3m3r n GLN 64 N -5.21 -2.55 -2.33 4.80 6.02 -0.76 -4.21 117.38 113.14 3m3r n GLN 64 Ca -0.10 0.31 -0.43 0.00 -0.01 0.00 0.00 57.00 56.77 3m3r n GLN 64 Cb 0.29 -3.81 -0.02 0.00 1.02 0.00 0.00 30.24 27.72 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 -3.01 2.51 0.10 1.08 6.14 -0.83 -4.58 117.35 118.76 3m3r s TYR 65 Ca 0.18 0.77 -0.25 0.00 0.64 0.00 0.00 57.07 58.41 3m3r s TYR 65 Cb -0.08 -3.94 0.07 0.00 0.42 0.00 0.00 41.96 38.43 3m3r s TYR 65 CO 0.22 -2.08 0.62 -0.98 0.64 0.00 0.00 175.55 173.97 3m3r s ARG 66 N 4.33 1.21 -0.38 4.97 1.70 -0.18 -4.89 118.95 125.71 3m3r s ARG 66 Ca 0.61 -0.27 -0.26 0.00 -0.47 0.00 0.00 55.73 55.34 3m3r s ARG 66 Cb -0.19 0.56 0.02 0.00 -0.57 0.00 0.00 34.95 34.77 3m3r s ARG 66 CO 0.25 -0.49 0.92 0.08 -1.08 0.00 0.00 175.30 174.98 3m3r s VAL 67 N -3.04 4.57 -0.13 4.99 1.01 -1.26 0.20 120.40 126.75 3m3r s VAL 67 Ca -0.02 1.11 0.12 0.00 0.00 0.00 0.00 61.98 63.19 3m3r s VAL 67 Cb -0.01 -4.34 -0.17 0.00 0.00 0.00 0.00 36.38 31.86 3m3r s VAL 67 CO -0.07 -0.58 0.07 0.00 0.00 0.00 0.00 175.10 174.52 3m3r n TYR 68 N 6.82 0.00 -4.82 5.22 4.11 -0.22 -4.97 117.16 123.29 3m3r n TYR 68 Ca 0.07 0.00 -0.31 0.00 -0.00 0.00 0.00 57.90 57.66 3m3r n TYR 68 Cb 0.48 -0.64 -0.13 0.00 -0.00 0.00 0.00 39.34 39.04 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 -4.59 3.68 -0.21 9.48 1.04 -1.18 -4.97 113.70 116.95 3m3r s SER 69 Ca -0.07 -0.40 -0.05 0.00 0.48 0.00 0.00 55.95 55.91 3m3r s SER 69 Cb 0.04 -0.59 0.10 0.00 0.10 0.00 0.00 66.02 65.68 3m3r s SER 69 CO 0.56 0.28 0.40 -0.70 0.98 0.00 0.00 173.24 174.77 3m3r s GLU 70 N -1.16 0.33 -0.52 4.02 2.12 -1.26 -1.13 118.70 121.09 3m3r s GLU 70 Ca 0.13 0.87 0.04 0.00 0.36 0.00 0.00 54.97 56.37 3m3r s GLU 70 Cb -0.10 0.07 0.16 0.00 0.26 0.00 0.00 34.13 34.52 3m3r s GLU 70 CO 0.03 -0.38 0.38 -1.21 -0.54 0.00 0.00 175.26 173.54 3m3r s GLU 71 N 2.59 1.53 0.00 4.30 8.01 -1.20 -5.04 118.70 128.88 3m3r s GLU 71 Ca 0.03 -2.55 0.00 0.00 0.01 0.00 0.00 54.97 52.47 3m3r s GLU 71 Cb -0.13 -2.28 0.00 0.00 -4.31 0.00 0.00 34.13 27.40 3m3r s GLU 71 CO -0.14 -1.32 0.00 0.41 0.01 0.00 0.00 175.26 174.23 3m3r n GLY 72 N 2.63 -0.84 0.11 -1.39 0.00 -1.26 -4.05 105.19 100.39 3m3r n GLY 72 Ca 0.23 -1.69 0.14 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.52 2.83 0.14 4.61 0.00 -1.26 -3.89 120.51 122.42 3m3r n ALA 73 Ca 0.00 -0.28 0.12 0.00 0.00 0.00 0.00 53.44 53.28 3m3r n ALA 73 Cb 0.00 -1.30 0.01 0.00 0.00 0.00 0.00 19.45 18.16 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 -1.02 0.84 -4.04 0.00 5.03 -1.26 -1.14 115.26 113.67 3m3r n ASN 74 Ca 0.13 0.30 -0.10 0.00 0.87 0.00 0.00 54.58 55.78 3m3r n ASN 74 Cb 0.30 0.44 -0.11 0.00 -1.02 0.00 0.00 39.78 39.38 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 -3.35 0.48 -0.05 3.52 1.02 -1.25 -0.85 119.74 119.27 3m3r s LYS 75 Ca -0.00 -0.82 -0.29 0.00 0.02 0.00 0.00 55.97 54.88 3m3r s LYS 75 Cb 0.10 -0.05 0.10 0.00 -0.52 0.00 0.00 37.83 37.45 3m3r s LYS 75 CO 0.79 -0.02 0.83 0.45 -0.92 0.00 0.00 175.35 176.48 3m3r s SER 76 N -1.87 -0.47 0.00 2.83 0.15 -0.94 -3.26 113.70 110.14 3m3r s SER 76 Ca -0.08 0.33 0.07 0.00 0.70 0.00 0.00 55.95 56.97 3m3r s SER 76 Cb -0.06 0.43 -0.02 0.00 -1.71 0.00 0.00 66.02 64.66 3m3r s SER 76 CO -0.02 -0.57 -0.22 -0.83 1.20 0.00 0.00 173.24 172.80 3m3r s GLY 77 N -1.72 1.10 -0.13 9.45 0.00 -0.28 -1.67 107.32 114.07 3m3r s GLY 77 Ca -0.02 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 43.74 3m3r s GLY 77 CO -0.01 -0.85 -0.19 -2.27 0.00 0.00 0.00 173.10 169.78 3m3r s LEU 78 N -0.71 1.94 -0.16 0.66 2.96 -0.08 -1.06 118.68 122.24 3m3r s LEU 78 Ca 0.08 -0.53 -0.11 0.00 -0.22 0.00 0.00 54.13 53.35 3m3r s LEU 78 Cb -0.09 -1.29 -0.05 0.00 0.50 0.00 0.00 46.19 45.26 3m3r s LEU 78 CO -0.00 0.05 0.22 0.00 -1.32 0.00 0.00 176.35 175.29 3m3r s ALA 79 N 0.91 3.68 0.03 5.97 0.00 0.13 -0.75 121.76 131.73 3m3r s ALA 79 Ca -0.06 -0.55 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 3m3r s ALA 79 Cb -0.15 -2.24 -0.02 0.00 0.00 0.00 0.00 23.12 20.71 3m3r s ALA 79 CO -0.02 0.23 0.05 1.67 0.00 0.00 0.00 175.76 177.69 3m3r s TRP 80 N 0.07 0.24 -0.35 0.00 1.48 -1.03 -1.01 118.94 118.34 3m3r s TRP 80 Ca 0.14 -0.54 -0.29 0.00 -1.06 0.00 0.00 56.10 54.35 3m3r s TRP 80 Cb -0.12 -0.18 0.01 0.00 -1.16 0.00 0.00 33.47 32.02 3m3r s TRP 80 CO 0.02 -0.31 1.23 -1.25 -4.06 0.00 0.00 176.95 172.58 3m3r s PRO 81 N -2.30 3.88 -0.00 3.25 0.04 -1.26 -0.55 135.00 138.06 3m3r s PRO 81 Ca -0.08 1.05 0.22 0.00 0.04 0.00 0.00 61.00 62.23 3m3r s PRO 81 Cb -0.03 -3.86 -0.19 0.00 0.04 0.00 0.00 34.50 30.46 3m3r s PRO 81 CO -0.03 -1.16 0.87 -1.13 0.04 0.00 0.00 177.00 175.58 3m3r n SER 82 N 7.60 0.78 -3.61 6.66 3.41 -0.02 -4.79 113.62 123.64 3m3r n SER 82 Ca 0.14 -0.73 -0.14 0.00 -0.26 0.00 0.00 58.87 57.88 3m3r n SER 82 Cb 0.47 1.11 -0.07 0.00 -0.26 0.00 0.00 64.21 65.47 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 -3.10 -1.82 -0.02 7.33 0.00 -1.10 -0.83 121.76 122.22 3m3r s ALA 83 Ca 0.05 1.84 0.07 0.00 0.00 0.00 0.00 51.96 53.92 3m3r s ALA 83 Cb 0.16 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 3m3r s ALA 83 CO 0.86 -0.33 -0.22 -0.06 0.00 0.00 0.00 175.76 176.01 3m3r s PHE 84 N -0.03 2.01 0.02 0.00 0.08 -0.04 -1.05 117.98 118.97 3m3r s PHE 84 Ca -0.02 -0.40 -0.04 0.00 0.12 0.00 0.00 56.93 56.60 3m3r s PHE 84 Cb -0.04 -1.30 -0.01 0.00 -0.57 0.00 0.00 43.02 41.10 3m3r s PHE 84 CO 0.02 -0.05 0.05 0.15 -0.10 0.00 0.00 175.22 175.29 3m3r s LYS 85 N -0.48 0.45 -0.02 0.44 1.02 -0.20 0.04 119.74 120.99 3m3r s LYS 85 Ca 0.07 -0.63 -0.00 0.00 0.02 0.00 0.00 55.97 55.43 3m3r s LYS 85 Cb -0.09 0.17 0.03 0.00 -0.52 0.00 0.00 37.83 37.42 3m3r s LYS 85 CO -0.00 -0.10 0.04 0.08 -0.92 0.00 0.00 175.35 174.45 3m3r s VAL 86 N -1.89 -0.05 -0.01 3.17 1.01 -0.90 -0.52 120.40 121.22 3m3r s VAL 86 Ca -0.11 0.19 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 3m3r s VAL 86 Cb -0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 36.38 36.22 3m3r s VAL 86 CO -0.02 0.08 0.06 -1.10 0.00 0.00 0.00 175.10 174.12 3m3r s GLN 87 N 0.95 0.22 -0.08 2.72 -0.21 -0.19 -1.26 119.66 121.81 3m3r s GLN 87 Ca -0.08 -0.18 0.04 0.00 0.02 0.00 0.00 55.36 55.16 3m3r s GLN 87 Cb -0.11 0.09 0.00 0.00 1.00 0.00 0.00 33.01 33.99 3m3r s GLN 87 CO -0.03 -0.04 -0.21 -0.51 -2.12 0.00 0.00 175.29 172.38 3m3r s LEU 88 N -0.62 1.97 -0.06 2.90 1.02 -0.05 -1.03 118.68 122.81 3m3r s LEU 88 Ca -0.07 -0.48 -0.00 0.00 0.02 0.00 0.00 54.13 53.60 3m3r s LEU 88 Cb -0.04 -1.24 0.02 0.00 0.02 0.00 0.00 46.19 44.95 3m3r s LEU 88 CO 0.00 0.14 -0.03 -1.58 0.02 0.00 0.00 176.35 174.90 3m3r s GLN 89 N 0.35 0.79 -0.06 1.70 0.74 -0.18 -1.66 119.66 121.33 3m3r s GLN 89 Ca -0.16 -0.02 -0.16 0.00 0.05 0.00 0.00 55.36 55.07 3m3r s GLN 89 Cb -0.17 -0.96 -0.05 0.00 1.10 0.00 0.00 33.01 32.93 3m3r s GLN 89 CO 0.07 -0.20 0.41 -0.51 -0.55 0.00 0.00 175.29 174.52 3m3r s LEU 90 N 1.45 4.37 0.82 3.68 1.43 0.20 -1.30 118.68 129.33 3m3r s LEU 90 Ca -0.03 0.85 -0.11 0.00 -1.03 0.00 0.00 54.13 53.81 3m3r s LEU 90 Cb -0.13 -2.59 0.09 0.00 0.03 0.00 0.00 46.19 43.59 3m3r s LEU 90 CO -0.03 0.18 1.12 -2.84 0.23 0.00 0.00 176.35 175.01 3m3r s PRO 91 N -0.26 1.75 0.39 1.29 0.02 -1.26 -4.79 135.00 132.13 3m3r s PRO 91 Ca 0.23 1.38 0.06 0.00 0.02 0.00 0.00 61.00 62.69 3m3r s PRO 91 Cb -0.16 -1.82 0.79 0.00 0.02 0.00 0.00 34.50 33.33 3m3r s PRO 91 CO 0.11 -2.05 2.02 -0.44 -0.33 0.00 0.00 177.00 176.30 3m3r h ASP 92 N -1.34 0.57 -0.66 2.53 5.19 -1.97 -2.89 116.42 117.85 3m3r h ASP 92 Ca -0.44 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 55.94 3m3r h ASP 92 Cb 1.25 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 40.59 3m3r h ASP 92 CO 0.47 0.40 0.34 -0.55 -3.12 0.00 0.00 179.24 176.78 3m3r h ASN 93 N 0.66 0.87 -1.41 6.45 -1.07 -2.00 -3.45 115.58 115.63 3m3r h ASN 93 Ca 0.22 -0.09 -0.70 0.00 0.07 0.00 0.00 56.30 55.80 3m3r h ASN 93 Cb 0.05 -0.22 0.07 0.00 -2.07 0.00 0.00 38.32 36.15 3m3r h ASN 93 CO -0.05 0.73 0.05 -0.62 0.07 0.00 0.00 177.43 177.60 3m3r n GLU 94 N -4.35 0.52 0.12 4.14 -0.58 -1.09 -4.88 120.64 114.53 3m3r n GLU 94 Ca 0.07 0.19 0.12 0.00 -0.42 0.00 0.00 57.16 57.11 3m3r n GLU 94 Cb 0.12 -1.60 0.09 0.00 -0.57 0.00 0.00 31.44 29.49 3m3r n GLU 94 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 3m3r h VAL 95 N 2.49 0.00 -4.11 2.62 -1.51 -1.90 -3.46 116.25 110.38 3m3r h VAL 95 Ca -0.43 -0.89 -0.54 0.00 -1.23 0.00 0.00 66.70 63.61 3m3r h VAL 95 Cb 1.39 1.54 0.14 0.00 -2.13 0.00 0.00 31.29 32.23 3m3r h VAL 95 CO 0.66 0.00 0.49 0.00 -1.23 0.00 0.00 177.57 177.49 3m3r s ALA 96 N -3.28 2.43 0.04 5.19 0.00 -1.26 -4.85 121.76 120.03 3m3r s ALA 96 Ca 0.03 1.10 0.03 0.00 0.00 0.00 0.00 51.96 53.12 3m3r s ALA 96 Cb 0.09 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 3m3r s ALA 96 CO 0.74 -1.42 -0.09 -0.65 0.00 0.00 0.00 175.76 174.34 3m3r s GLN 97 N -3.40 0.61 -0.14 0.00 -0.21 -0.85 -4.92 119.66 110.75 3m3r s GLN 97 Ca 0.80 -0.71 -0.29 0.00 0.02 0.00 0.00 55.36 55.18 3m3r s GLN 97 Cb -0.34 -0.48 -0.01 0.00 1.00 0.00 0.00 33.01 33.18 3m3r s GLN 97 CO 0.37 0.10 1.12 0.42 -2.12 0.00 0.00 175.29 175.19 3m3r s ILE 98 N -1.11 4.51 -0.15 1.08 1.01 -0.21 -1.24 121.20 125.09 3m3r s ILE 98 Ca -0.05 1.81 0.07 0.00 0.00 0.00 0.00 60.65 62.47 3m3r s ILE 98 Cb -0.09 -4.17 -0.14 0.00 0.01 0.00 0.00 42.46 38.08 3m3r s ILE 98 CO 0.01 -0.08 -0.05 -0.24 0.00 0.00 0.00 174.94 174.58 3m3r n SER 99 N 5.80 2.20 -3.50 3.58 2.88 0.60 -4.53 113.62 120.65 3m3r n SER 99 Ca 0.11 -0.04 -0.10 0.00 -1.33 0.00 0.00 58.87 57.51 3m3r n SER 99 Cb 0.46 0.30 -0.02 0.00 -0.75 0.00 0.00 64.21 64.20 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 -5.12 0.14 -0.07 -3.46 3.68 -1.13 -4.99 116.67 105.73 3m3r s ASP 100 Ca -0.14 -1.06 -0.30 0.00 2.13 0.00 0.00 52.55 53.17 3m3r s ASP 100 Cb 0.05 0.70 0.11 0.00 -1.45 0.00 0.00 42.92 42.34 3m3r s ASP 100 CO 0.47 -1.37 0.97 -0.72 0.13 0.00 0.00 175.17 174.65 3m3r s TYR 101 N -3.30 -0.30 -0.26 -5.34 1.13 -1.26 -0.86 117.35 107.15 3m3r s TYR 101 Ca 0.20 0.24 -0.23 0.00 -1.41 0.00 0.00 57.07 55.88 3m3r s TYR 101 Cb -0.03 0.52 0.07 0.00 -1.10 0.00 0.00 41.96 41.42 3m3r s TYR 101 CO 0.12 -0.45 0.68 -0.47 -2.51 0.00 0.00 175.55 172.93 3m3r s TYR 102 N -2.68 -0.80 0.84 -3.49 6.14 -0.34 -4.68 117.35 112.34 3m3r s TYR 102 Ca 0.05 1.88 -0.12 0.00 0.64 0.00 0.00 57.07 59.52 3m3r s TYR 102 Cb -0.01 0.31 0.10 0.00 0.42 0.00 0.00 41.96 42.78 3m3r s TYR 102 CO -0.07 -0.39 1.16 -1.25 0.64 0.00 0.00 175.55 175.64 3m3r s PRO 103 N 0.55 1.70 0.45 4.97 0.04 -1.26 -0.60 135.00 140.85 3m3r s PRO 103 Ca -0.01 0.22 0.01 0.00 0.04 0.00 0.00 61.00 61.26 3m3r s PRO 103 Cb -0.05 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.58 3m3r s PRO 103 CO -0.02 -1.80 0.04 0.54 0.04 0.00 0.00 177.00 175.80 3m3r n ARG 104 N -3.48 0.78 -2.78 4.56 1.74 -1.26 -4.71 116.66 111.52 3m3r n ARG 104 Ca 0.07 -3.41 -0.41 0.00 -0.77 0.00 0.00 57.85 53.33 3m3r n ARG 104 Cb 0.60 1.15 -0.04 0.00 -1.02 0.00 0.00 32.46 33.15 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 -3.55 7.39 0.25 0.55 0.01 -1.26 -4.74 114.94 113.58 3m3r s ASN 105 Ca 0.05 1.66 0.09 0.00 -0.71 0.00 0.00 52.86 53.95 3m3r s ASN 105 Cb 0.00 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 3m3r s ASN 105 CO 0.04 -0.12 0.03 -0.94 -1.51 0.00 0.00 177.10 174.60 3m3r s SER 106 N 0.38 4.76 -0.18 -1.22 1.04 -1.26 -5.08 113.70 112.15 3m3r s SER 106 Ca 0.47 -0.53 -0.29 0.00 0.48 0.00 0.00 55.95 56.07 3m3r s SER 106 Cb -0.22 -0.97 -0.00 0.00 0.10 0.00 0.00 66.02 64.93 3m3r s SER 106 CO 0.28 0.01 1.09 -0.63 0.98 0.00 0.00 173.24 174.96 3m3r s ILE 107 N -2.20 4.59 0.60 -1.02 1.01 -1.26 -5.03 121.20 117.89 3m3r s ILE 107 Ca 0.31 1.91 -0.11 0.00 0.00 0.00 0.00 60.65 62.75 3m3r s ILE 107 Cb -0.07 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 3m3r s ILE 107 CO 0.21 -0.12 1.01 -1.81 0.00 0.00 0.00 174.94 174.23 3m3r s ASP 108 N 1.35 6.27 0.36 3.58 1.01 -1.26 -5.08 116.67 122.90 3m3r s ASP 108 Ca 0.48 1.40 0.03 0.00 0.71 0.00 0.00 52.55 55.18 3m3r s ASP 108 Cb -0.18 -2.46 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 3m3r s ASP 108 CO 0.12 -0.82 0.11 0.42 0.21 0.00 0.00 175.17 175.21 3m3r s THR 109 N -3.10 0.70 0.01 -1.27 -4.23 -1.26 -5.17 115.64 101.32 3m3r s THR 109 Ca 0.55 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.88 3m3r s THR 109 Cb -0.11 -2.50 0.04 0.00 1.34 0.00 0.00 72.50 71.26 3m3r s THR 109 CO 0.51 0.00 0.41 -1.59 -0.54 0.00 0.00 174.62 173.41 3m3r s LYS 110 N -3.79 0.85 -0.14 3.99 -2.85 -1.26 -4.72 119.74 111.81 3m3r s LYS 110 Ca 0.30 -0.24 -0.06 0.00 -1.00 0.00 0.00 55.97 54.96 3m3r s LYS 110 Cb 0.05 0.38 -0.04 0.00 -2.06 0.00 0.00 37.83 36.16 3m3r s LYS 110 CO 0.15 -0.27 0.06 -1.21 0.10 0.00 0.00 175.35 174.18 3m3r s GLU 111 N -1.98 3.62 -0.08 1.78 2.02 0.23 -4.95 118.70 119.33 3m3r s GLU 111 Ca -0.08 -0.32 0.02 0.00 0.02 0.00 0.00 54.97 54.61 3m3r s GLU 111 Cb -0.02 -3.10 0.01 0.00 0.10 0.00 0.00 34.13 31.12 3m3r s GLU 111 CO 0.01 0.49 -0.16 -0.47 0.02 0.00 0.00 175.26 175.15 3m3r s TYR 112 N -0.24 1.83 -0.11 1.61 6.14 -1.26 -0.34 117.35 124.99 3m3r s TYR 112 Ca 0.08 -0.75 0.02 0.00 0.64 0.00 0.00 57.07 57.05 3m3r s TYR 112 Cb -0.12 -1.30 -0.01 0.00 0.42 0.00 0.00 41.96 40.94 3m3r s TYR 112 CO 0.01 -0.36 -0.16 -0.06 0.64 0.00 0.00 175.55 175.62 3m3r s PHE 113 N 0.69 2.72 -0.13 4.97 0.40 0.34 -4.98 117.98 121.99 3m3r s PHE 113 Ca -0.13 -0.66 0.03 0.00 -0.60 0.00 0.00 56.93 55.56 3m3r s PHE 113 Cb -0.16 -1.77 0.01 0.00 0.51 0.00 0.00 43.02 41.61 3m3r s PHE 113 CO 0.03 -0.20 -0.22 -1.12 0.70 0.00 0.00 175.22 174.41 3m3r s SER 114 N 0.16 3.11 -0.06 1.36 0.01 -1.26 -1.51 113.70 115.51 3m3r s SER 114 Ca -0.09 -0.60 0.02 0.00 1.31 0.00 0.00 55.95 56.59 3m3r s SER 114 Cb -0.15 -1.44 0.01 0.00 0.21 0.00 0.00 66.02 64.65 3m3r s SER 114 CO 0.05 0.09 -0.11 -0.89 0.41 0.00 0.00 173.24 172.79 3m3r s THR 115 N 0.75 1.04 -0.11 1.44 2.01 -0.06 -4.99 115.64 115.73 3m3r s THR 115 Ca -0.09 -0.43 0.03 0.00 0.31 0.00 0.00 61.69 61.52 3m3r s THR 115 Cb -0.16 -0.96 0.00 0.00 0.01 0.00 0.00 72.50 71.40 3m3r s THR 115 CO -0.01 0.33 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.82 3m3r s LEU 116 N 0.66 2.02 -0.02 4.42 2.96 -1.26 -1.07 118.68 126.39 3m3r s LEU 116 Ca -0.14 -0.53 0.02 0.00 -0.22 0.00 0.00 54.13 53.26 3m3r s LEU 116 Cb -0.15 -1.33 0.01 0.00 0.50 0.00 0.00 46.19 45.21 3m3r s LEU 116 CO 0.03 0.12 -0.06 0.42 -1.32 0.00 0.00 176.35 175.54 3m3r s THR 117 N 0.52 0.52 0.01 3.68 -4.23 -1.08 -5.04 115.64 110.03 3m3r s THR 117 Ca -0.15 -0.21 -0.01 0.00 -1.18 0.00 0.00 61.69 60.14 3m3r s THR 117 Cb -0.17 -0.49 -0.04 0.00 1.34 0.00 0.00 72.50 73.14 3m3r s THR 117 CO 0.05 0.18 0.13 -0.31 -0.54 0.00 0.00 174.62 174.14 3m3r s TYR 118 N 0.31 3.40 -0.20 3.99 4.12 -1.26 -2.88 117.35 124.83 3m3r s TYR 118 Ca -0.04 0.26 -0.04 0.00 0.02 0.00 0.00 57.07 57.27 3m3r s TYR 118 Cb -0.08 -1.77 0.10 0.00 -1.52 0.00 0.00 41.96 38.69 3m3r s TYR 118 CO -0.00 0.59 0.25 0.20 0.02 0.00 0.00 175.55 176.62 3m3r s GLY 119 N -1.93 -0.09 -0.03 0.71 0.00 0.88 -4.98 107.32 101.88 3m3r s GLY 119 Ca 0.26 0.48 0.06 0.00 0.00 0.00 0.00 44.72 45.52 3m3r s GLY 119 CO 0.18 2.21 -0.21 -1.36 0.00 0.00 0.00 173.10 173.91 3m3r s PHE 120 N 2.38 2.47 0.00 1.90 0.08 -1.26 0.50 117.98 124.05 3m3r s PHE 120 Ca 0.07 -0.33 -0.13 0.00 0.12 0.00 0.00 56.93 56.66 3m3r s PHE 120 Cb -0.15 -1.55 0.02 0.00 -0.57 0.00 0.00 43.02 40.77 3m3r s PHE 120 CO -0.12 0.05 0.28 0.54 -0.10 0.00 0.00 175.22 175.87 3m3r s ASN 121 N -0.68 -0.14 0.00 1.36 4.22 -0.25 -5.01 114.94 114.44 3m3r s ASN 121 Ca 0.11 -0.04 0.00 0.00 -2.14 0.00 0.00 52.86 50.79 3m3r s ASN 121 Cb -0.10 0.31 0.00 0.00 1.28 0.00 0.00 41.25 42.74 3m3r s ASN 121 CO -0.00 -0.49 0.00 0.61 -2.04 0.00 0.00 177.10 175.18 3m3r n GLY 122 N 1.09 3.36 0.00 0.45 0.00 -1.26 -1.68 105.19 107.15 3m3r n GLY 122 Ca -0.21 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.65 3m3r n GLY 122 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3m3r n ASN 123 N -1.74 0.00 -3.67 1.61 5.15 -0.01 -4.81 115.26 111.79 3m3r n ASN 123 Ca 0.00 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.89 3m3r n ASN 123 Cb 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.15 3m3r n ASN 123 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3m3r s VAL 124 N -2.00 -0.34 0.39 3.44 1.01 -1.26 -1.71 120.40 119.93 3m3r s VAL 124 Ca 0.00 0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.17 3m3r s VAL 124 Cb 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 3m3r s VAL 124 CO 0.00 0.05 0.41 -0.89 0.00 0.00 0.00 175.10 174.67 3m3r s THR 125 N 2.01 3.12 -0.29 3.92 2.01 0.88 -4.84 115.64 122.45 3m3r s THR 125 Ca -0.06 -1.23 -0.18 0.00 0.31 0.00 0.00 61.69 60.53 3m3r s THR 125 Cb -0.10 -3.09 0.16 0.00 0.01 0.00 0.00 72.50 69.48 3m3r s THR 125 CO -0.14 -0.06 1.11 -0.83 -0.69 0.00 0.00 174.62 174.01 3m3r s GLY 126 N -4.16 0.19 0.35 4.40 0.00 -1.26 -0.46 107.32 106.39 3m3r s GLY 126 Ca 0.48 3.31 0.09 0.00 0.00 0.00 0.00 44.72 48.59 3m3r s GLY 126 CO 0.29 2.47 -0.01 0.51 0.00 0.00 0.00 173.10 176.36 3m3r s ASP 127 N 0.97 4.02 0.00 1.64 1.47 -1.10 -5.00 116.67 118.67 3m3r s ASP 127 Ca -0.05 -1.11 0.00 0.00 1.18 0.00 0.00 52.55 52.57 3m3r s ASP 127 Cb -0.04 -0.45 0.00 0.00 -0.34 0.00 0.00 42.92 42.09 3m3r s ASP 127 CO -0.12 -0.27 0.31 -0.90 0.68 0.00 0.00 175.17 174.86 3m3r n ASP 128 N -0.92 0.65 0.00 2.11 3.85 -1.26 -2.46 116.55 118.52 3m3r n ASP 128 Ca -0.04 -1.17 0.00 0.00 -0.71 0.00 0.00 54.79 52.87 3m3r n ASP 128 Cb 0.63 -0.29 0.00 0.00 -1.35 0.00 0.00 41.12 40.11 3m3r n ASP 128 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3m3r n THR 129 N 0.24 0.00 0.00 2.12 -2.24 -1.26 -5.02 114.28 108.12 3m3r n THR 129 Ca 0.00 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3m3r n THR 129 Cb 0.15 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 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 0.28 0.39 3.72 3.38 0.00 -1.03 -5.07 105.19 106.86 3m3r n GLY 130 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.83 4.51 -0.26 1.61 2.20 -1.26 -4.94 119.74 120.77 3m3r s LYS 131 Ca 0.00 1.66 -0.06 0.00 -0.36 0.00 0.00 55.97 57.21 3m3r s LYS 131 Cb 0.00 -3.36 -0.00 0.00 -1.51 0.00 0.00 37.83 32.96 3m3r s LYS 131 CO 0.00 -0.11 0.04 0.42 -0.36 0.00 0.00 175.35 175.34 3m3r s ILE 132 N 0.68 3.83 0.47 5.43 -1.09 -1.26 -2.70 121.20 126.56 3m3r s ILE 132 Ca 0.54 -0.55 0.08 0.00 -2.23 0.00 0.00 60.65 58.49 3m3r s ILE 132 Cb -0.27 -2.88 0.03 0.00 -1.58 0.00 0.00 42.46 37.76 3m3r s ILE 132 CO 0.30 0.22 0.62 -0.83 -1.23 0.00 0.00 174.94 174.03 3m3r s GLY 133 N 1.51 1.90 -0.11 6.18 0.00 0.40 -4.87 107.32 112.32 3m3r s GLY 133 Ca 0.04 -1.82 -0.30 0.00 0.00 0.00 0.00 44.72 42.64 3m3r s GLY 133 CO 0.01 -1.56 0.99 -0.32 0.00 0.00 0.00 173.10 172.21 3m3r s GLY 134 N -4.43 -0.33 -0.15 0.20 0.00 -1.26 -0.08 107.32 101.26 3m3r s GLY 134 Ca 0.56 1.64 -0.16 0.00 0.00 0.00 0.00 44.72 46.77 3m3r s GLY 134 CO 0.34 0.73 0.44 -2.27 0.00 0.00 0.00 173.10 172.35 3m3r s LEU 135 N -1.70 0.33 -0.05 0.66 2.96 -0.70 -4.88 118.68 115.30 3m3r s LEU 135 Ca 0.02 0.80 0.02 0.00 -0.22 0.00 0.00 54.13 54.75 3m3r s LEU 135 Cb -0.01 1.53 0.02 0.00 0.50 0.00 0.00 46.19 48.23 3m3r s LEU 135 CO -0.03 -0.20 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.09 3m3r s ILE 136 N 0.02 0.79 0.01 6.68 1.01 -1.26 -0.83 121.20 127.61 3m3r s ILE 136 Ca -0.02 -0.29 -0.08 0.00 0.00 0.00 0.00 60.65 60.27 3m3r s ILE 136 Cb -0.03 -0.76 0.00 0.00 0.01 0.00 0.00 42.46 41.68 3m3r s ILE 136 CO 0.01 0.28 0.14 -0.83 0.00 0.00 0.00 174.94 174.54 3m3r s GLY 137 N 0.73 0.04 0.38 6.18 0.00 -0.67 -5.03 107.32 108.95 3m3r s GLY 137 Ca -0.12 -0.14 0.07 0.00 0.00 0.00 0.00 44.72 44.52 3m3r s GLY 137 CO 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 173.10 172.82 3m3r s ALA 138 N -1.48 2.97 -0.23 3.20 0.00 -1.26 -1.09 121.76 123.87 3m3r s ALA 138 Ca -0.14 -2.21 -0.27 0.00 0.00 0.00 0.00 51.96 49.33 3m3r s ALA 138 Cb -0.07 0.20 0.13 0.00 0.00 0.00 0.00 23.12 23.38 3m3r s ALA 138 CO 0.01 -0.11 1.05 0.54 0.00 0.00 0.00 175.76 177.26 3m3r s ASN 139 N -3.65 -0.38 0.05 0.00 2.20 0.18 -4.94 114.94 108.41 3m3r s ASN 139 Ca 0.34 0.59 -0.02 0.00 -0.94 0.00 0.00 52.86 52.84 3m3r s ASN 139 Cb 0.08 0.56 -0.03 0.00 -2.00 0.00 0.00 41.25 39.86 3m3r s ASN 139 CO 0.17 -0.22 0.01 -0.69 -2.94 0.00 0.00 177.10 173.43 3m3r s VAL 140 N -0.40 0.18 -0.28 3.54 1.01 -1.26 -0.09 120.40 123.10 3m3r s VAL 140 Ca 0.01 -1.48 -0.25 0.00 0.00 0.00 0.00 61.98 60.26 3m3r s VAL 140 Cb -0.03 -1.19 0.11 0.00 0.00 0.00 0.00 36.38 35.27 3m3r s VAL 140 CO -0.03 -0.82 0.97 -0.94 0.00 0.00 0.00 175.10 174.28 3m3r s SER 141 N -2.54 -0.51 -0.05 3.32 1.04 -1.14 -5.03 113.70 108.80 3m3r s SER 141 Ca 0.01 0.98 0.03 0.00 0.48 0.00 0.00 55.95 57.45 3m3r s SER 141 Cb 0.03 0.99 -0.03 0.00 0.10 0.00 0.00 66.02 67.12 3m3r s SER 141 CO -0.08 -0.17 -0.12 -0.63 0.98 0.00 0.00 173.24 173.22 3m3r s ILE 142 N 0.26 3.22 0.05 -1.02 1.09 -1.26 -2.62 121.20 120.92 3m3r s ILE 142 Ca 0.03 -0.69 0.00 0.00 -1.10 0.00 0.00 60.65 58.89 3m3r s ILE 142 Cb -0.05 -2.28 -0.03 0.00 -1.06 0.00 0.00 42.46 39.03 3m3r s ILE 142 CO -0.05 0.57 -0.04 -0.83 -0.10 0.00 0.00 174.94 174.49 3m3r s GLY 143 N -0.81 0.48 -0.06 6.18 0.00 -0.23 -4.99 107.32 107.89 3m3r s GLY 143 Ca 0.12 -1.02 -0.03 0.00 0.00 0.00 0.00 44.72 43.80 3m3r s GLY 143 CO 0.01 -1.11 0.14 0.30 0.00 0.00 0.00 173.10 172.44 3m3r s HIS 144 N -2.87 -0.15 -0.09 1.90 3.76 -1.26 -0.88 115.29 115.72 3m3r s HIS 144 Ca -0.00 0.44 0.03 0.00 -0.15 0.00 0.00 55.06 55.39 3m3r s HIS 144 Cb 0.00 -0.09 0.00 0.00 1.11 0.00 0.00 32.58 33.61 3m3r s HIS 144 CO -0.05 -0.15 -0.20 0.99 -0.85 0.00 0.00 174.74 174.47 3m3r s THR 145 N 1.08 1.76 -0.14 1.30 2.01 -0.57 -4.97 115.64 116.11 3m3r s THR 145 Ca -0.08 -0.85 -0.03 0.00 0.31 0.00 0.00 61.69 61.04 3m3r s THR 145 Cb -0.11 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.84 3m3r s THR 145 CO -0.05 0.49 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.11 3m3r s LEU 146 N 0.43 3.22 -0.04 4.42 2.96 -1.26 -0.50 118.68 127.91 3m3r s LEU 146 Ca -0.17 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 3m3r s LEU 146 Cb -0.17 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 44.77 3m3r s LEU 146 CO 0.07 0.19 -0.07 -0.75 -1.32 0.00 0.00 176.35 174.48 3m3r s LYS 147 N 0.23 0.92 0.13 1.98 2.20 0.54 -4.98 119.74 120.76 3m3r s LYS 147 Ca -0.03 -0.20 -0.21 0.00 -0.36 0.00 0.00 55.97 55.16 3m3r s LYS 147 Cb -0.14 -0.87 0.06 0.00 -1.51 0.00 0.00 37.83 35.36 3m3r s LYS 147 CO 0.03 0.01 0.53 1.52 -0.36 0.00 0.00 175.35 177.08 3m3r s TYR 148 N 0.57 -0.43 -0.06 4.03 1.13 -1.26 0.76 117.35 122.09 3m3r s TYR 148 Ca -0.08 0.25 -0.15 0.00 -1.41 0.00 0.00 57.07 55.67 3m3r s TYR 148 Cb -0.12 0.44 -0.05 0.00 -1.10 0.00 0.00 41.96 41.13 3m3r s TYR 148 CO 0.01 -0.77 0.39 0.08 -2.51 0.00 0.00 175.55 172.75 3m3r s VAL 149 N -3.49 5.14 -0.27 -3.49 1.01 -1.26 -5.07 120.40 112.95 3m3r s VAL 149 Ca 0.00 0.79 0.01 0.00 0.00 0.00 0.00 61.98 62.78 3m3r s VAL 149 Cb -0.00 -3.71 0.08 0.00 0.00 0.00 0.00 36.38 32.75 3m3r s VAL 149 CO -0.10 0.49 0.01 -1.10 0.00 0.00 0.00 175.10 174.40 3m3r s GLN 150 N -0.40 1.30 0.52 2.72 -0.21 -1.26 -5.06 119.66 117.26 3m3r s GLN 150 Ca 0.23 -1.17 -0.21 0.00 0.02 0.00 0.00 55.36 54.23 3m3r s GLN 150 Cb -0.15 -2.54 -0.06 0.00 1.00 0.00 0.00 33.01 31.25 3m3r s GLN 150 CO 0.11 -0.78 1.14 -1.25 -2.12 0.00 0.00 175.29 172.39 3m3r s PRO 151 N 1.37 3.48 0.32 2.91 0.04 -1.26 -4.92 135.00 136.94 3m3r s PRO 151 Ca 0.02 1.66 -0.00 0.00 0.04 0.00 0.00 61.00 62.72 3m3r s PRO 151 Cb -0.18 -2.13 0.52 0.00 0.04 0.00 0.00 34.50 32.75 3m3r s PRO 151 CO -0.12 -0.75 1.97 -0.44 0.04 0.00 0.00 177.00 177.70 3m3r h ASP 152 N 1.46 0.83 -4.43 6.66 3.45 -1.96 -3.38 116.42 119.05 3m3r h ASP 152 Ca -0.50 -0.04 -0.43 0.00 0.43 0.00 0.00 57.03 56.49 3m3r h ASP 152 Cb 1.26 -0.21 -0.22 0.00 -0.56 0.00 0.00 39.33 39.60 3m3r h ASP 152 CO 0.58 0.63 -0.79 -0.36 -1.57 0.00 0.00 179.24 177.73 3m3r s PHE 153 N -5.74 1.29 -0.12 4.55 0.08 -1.26 -0.34 117.98 116.44 3m3r s PHE 153 Ca -0.11 -0.44 -0.02 0.00 0.12 0.00 0.00 56.93 56.48 3m3r s PHE 153 Cb 0.17 -0.73 -0.03 0.00 -0.57 0.00 0.00 43.02 41.87 3m3r s PHE 153 CO 0.78 0.07 -0.05 0.15 -0.10 0.00 0.00 175.22 176.07 3m3r s LYS 154 N -1.70 3.31 -0.32 0.44 1.02 0.55 -4.85 119.74 118.20 3m3r s LYS 154 Ca -0.01 -0.53 -0.15 0.00 0.02 0.00 0.00 55.97 55.30 3m3r s LYS 154 Cb -0.10 -2.78 -0.02 0.00 -0.52 0.00 0.00 37.83 34.41 3m3r s LYS 154 CO 0.02 0.40 0.36 0.99 -0.92 0.00 0.00 175.35 176.21 3m3r s THR 155 N -0.10 5.17 -0.02 2.17 2.01 -1.26 -0.95 115.64 122.67 3m3r s THR 155 Ca 0.02 0.24 0.06 0.00 0.31 0.00 0.00 61.69 62.32 3m3r s THR 155 Cb -0.13 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 3m3r s THR 155 CO 0.03 0.00 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.12 3m3r s ILE 156 N 2.04 1.64 -0.24 1.82 1.01 -0.01 -4.88 121.20 122.58 3m3r s ILE 156 Ca 0.13 -0.89 -0.18 0.00 0.00 0.00 0.00 60.65 59.71 3m3r s ILE 156 Cb -0.16 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 3m3r s ILE 156 CO 0.11 0.46 0.52 -0.22 0.00 0.00 0.00 174.94 175.82 3m3r s LEU 157 N -0.48 4.08 0.22 2.97 2.96 -1.26 -1.44 118.68 125.72 3m3r s LEU 157 Ca 0.08 0.58 -0.28 0.00 -0.22 0.00 0.00 54.13 54.29 3m3r s LEU 157 Cb -0.08 -2.69 -0.09 0.00 0.50 0.00 0.00 46.19 43.83 3m3r s LEU 157 CO -0.01 -0.26 0.89 -1.61 -1.32 0.00 0.00 176.35 174.04 3m3r s GLU 158 N 2.13 4.73 -0.47 1.98 2.02 -0.06 -4.80 118.70 124.23 3m3r s GLU 158 Ca 0.22 1.36 -0.45 0.00 0.02 0.00 0.00 54.97 56.13 3m3r s GLU 158 Cb -0.16 -3.23 -0.19 0.00 0.10 0.00 0.00 34.13 30.66 3m3r s GLU 158 CO 0.09 0.51 1.83 0.43 0.02 0.00 0.00 175.26 178.15 3m3r n SER 159 N 1.43 1.19 -4.96 -0.19 7.64 -1.26 -4.26 113.62 113.21 3m3r n SER 159 Ca -0.03 0.96 -0.20 0.00 1.01 0.00 0.00 58.87 60.62 3m3r n SER 159 Cb 0.48 -0.93 0.04 0.00 -1.01 0.00 0.00 64.21 62.80 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 4.28 2.45 0.00 1.43 0.04 -1.26 -4.82 135.00 137.11 3m3r s PRO 160 Ca 1.10 -1.23 0.00 0.00 0.04 0.00 0.00 61.00 60.91 3m3r s PRO 160 Cb -1.43 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 30.50 3m3r s PRO 160 CO 0.73 -0.71 0.00 0.25 0.04 0.00 0.00 177.00 177.32 3m3r n THR 161 N -2.21 0.00 1.23 1.26 -2.24 0.16 -4.99 114.28 107.48 3m3r n THR 161 Ca 0.11 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.97 3m3r n THR 161 Cb 0.60 0.00 0.29 0.00 -2.10 0.00 0.00 70.33 69.12 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 -2.10 1.47 0.00 3.42 5.75 -1.26 -3.90 116.55 119.92 3m3r n ASP 162 Ca 0.00 -1.80 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 3m3r n ASP 162 Cb 0.00 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 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 1.77 -3.81 0.11 4.76 -1.26 -1.04 118.16 118.92 3m3r n LYS 163 Ca 0.13 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.45 3m3r n LYS 163 Cb 0.27 -0.88 -0.10 0.00 -1.84 0.00 0.00 35.03 32.49 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 -1.54 0.49 0.03 1.97 -2.85 -1.25 0.60 119.74 117.18 3m3r s LYS 164 Ca 0.00 -0.10 -0.08 0.00 -1.00 0.00 0.00 55.97 54.79 3m3r s LYS 164 Cb 0.00 0.22 0.00 0.00 -2.06 0.00 0.00 37.83 35.99 3m3r s LYS 164 CO 0.00 -0.12 0.17 0.54 0.10 0.00 0.00 175.35 176.04 3m3r s VAL 165 N -0.91 0.10 0.23 1.79 0.11 -0.67 -0.67 120.40 120.39 3m3r s VAL 165 Ca -0.10 -0.85 -0.22 0.00 -2.93 0.00 0.00 61.98 57.88 3m3r s VAL 165 Cb -0.05 -0.76 0.04 0.00 -1.53 0.00 0.00 36.38 34.08 3m3r s VAL 165 CO 0.02 -0.47 0.72 -0.83 -3.33 0.00 0.00 175.10 171.21 3m3r s GLY 166 N -1.86 -0.23 0.02 6.54 0.00 -1.26 -0.87 107.32 109.67 3m3r s GLY 166 Ca -0.08 -0.05 0.01 0.00 0.00 0.00 0.00 44.72 44.60 3m3r s GLY 166 CO -0.02 -0.01 -0.06 -0.98 0.00 0.00 0.00 173.10 172.03 3m3r s TRP 167 N -3.80 0.48 -0.05 1.90 0.51 -0.39 -0.88 118.94 116.71 3m3r s TRP 167 Ca 0.09 -0.37 0.01 0.00 -2.12 0.00 0.00 56.10 53.70 3m3r s TRP 167 Cb -0.04 -0.30 0.02 0.00 -0.81 0.00 0.00 33.47 32.34 3m3r s TRP 167 CO 0.02 -0.08 -0.05 -1.59 -0.51 0.00 0.00 176.95 174.73 3m3r s LYS 168 N -1.11 0.89 -0.43 4.98 -2.85 -0.52 -2.12 119.74 118.59 3m3r s LYS 168 Ca -0.08 -0.12 -0.09 0.00 -1.00 0.00 0.00 55.97 54.68 3m3r s LYS 168 Cb -0.07 -0.88 0.08 0.00 -2.06 0.00 0.00 37.83 34.90 3m3r s LYS 168 CO -0.00 -0.08 0.27 0.08 0.10 0.00 0.00 175.35 175.72 3m3r s VAL 169 N 0.92 4.24 -0.08 1.79 1.01 0.11 -0.82 120.40 127.55 3m3r s VAL 169 Ca -0.11 -1.44 -0.02 0.00 0.00 0.00 0.00 61.98 60.41 3m3r s VAL 169 Cb -0.14 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 3m3r s VAL 169 CO 0.00 -0.54 -0.00 0.27 0.00 0.00 0.00 175.10 174.83 3m3r s ILE 170 N 1.42 4.28 0.13 2.22 -4.36 -0.12 -0.86 121.20 123.91 3m3r s ILE 170 Ca 0.03 -0.26 -0.31 0.00 -0.26 0.00 0.00 60.65 59.85 3m3r s ILE 170 Cb -0.23 -2.79 -0.10 0.00 1.25 0.00 0.00 42.46 40.58 3m3r s ILE 170 CO 0.02 0.61 1.74 0.12 0.24 0.00 0.00 174.94 177.66 3m3r s PHE 171 N -0.88 2.47 0.00 1.37 2.19 -0.01 -0.33 117.98 122.79 3m3r s PHE 171 Ca 0.13 0.20 0.00 0.00 0.33 0.00 0.00 56.93 57.60 3m3r s PHE 171 Cb -0.11 -4.09 0.00 0.00 -1.31 0.00 0.00 43.02 37.50 3m3r s PHE 171 CO 0.02 -4.36 0.00 -1.71 1.83 0.00 0.00 175.22 171.00 3m3r n ASN 172 N 5.12 0.00 -3.70 6.13 5.15 0.54 -4.86 115.26 123.65 3m3r n ASN 172 Ca 0.16 0.03 -0.07 0.00 -0.60 0.00 0.00 54.58 54.10 3m3r n ASN 172 Cb 0.38 -0.38 -0.01 0.00 -0.53 0.00 0.00 39.78 39.24 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 -3.24 -0.21 -0.09 1.20 2.20 -1.15 -4.62 114.94 109.04 3m3r s ASN 173 Ca 0.00 -0.68 -0.27 0.00 -0.94 0.00 0.00 52.86 50.97 3m3r s ASN 173 Cb 0.00 0.72 0.06 0.00 -2.00 0.00 0.00 41.25 40.03 3m3r s ASN 173 CO 0.00 -1.35 0.63 -0.32 -2.94 0.00 0.00 177.10 173.11 3m3r s MET 174 N -3.58 0.94 0.01 3.55 1.75 -0.11 -4.28 119.30 117.59 3m3r s MET 174 Ca 0.12 0.36 -0.27 0.00 -1.25 0.00 0.00 55.69 54.64 3m3r s MET 174 Cb -0.05 0.44 -0.04 0.00 2.84 0.00 0.00 34.83 38.02 3m3r s MET 174 CO 0.07 -0.25 0.87 0.08 -0.65 0.00 0.00 175.02 175.14 3m3r s VAL 175 N -0.84 4.81 -0.40 10.11 1.01 -1.26 -0.77 120.40 133.06 3m3r s VAL 175 Ca -0.09 1.84 -0.06 0.00 0.00 0.00 0.00 61.98 63.67 3m3r s VAL 175 Cb -0.02 -4.22 0.09 0.00 0.00 0.00 0.00 36.38 32.23 3m3r s VAL 175 CO 0.07 0.25 0.20 0.21 0.00 0.00 0.00 175.10 175.83 3m3r s ASN 176 N 0.56 5.38 -1.32 3.32 3.84 -0.26 -4.72 114.94 121.74 3m3r s ASN 176 Ca 0.45 -1.69 -0.16 0.00 0.21 0.00 0.00 52.86 51.68 3m3r s ASN 176 Cb -0.21 -1.88 0.01 0.00 -0.55 0.00 0.00 41.25 38.62 3m3r s ASN 176 CO 0.25 -0.50 0.50 0.00 -2.79 0.00 0.00 177.10 174.55 3m3r n GLN 177 N 4.75 -1.38 -0.23 0.43 6.02 -1.26 0.75 117.38 126.45 3m3r n GLN 177 Ca -0.07 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 3m3r n GLN 177 Cb 0.42 -3.62 0.00 0.00 1.02 0.00 0.00 30.24 28.07 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 -2.64 0.00 -4.95 1.08 5.03 -1.26 -4.98 115.26 107.54 3m3r n ASN 178 Ca -0.20 0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.01 3m3r n ASN 178 Cb 0.63 -0.63 0.02 0.00 -1.02 0.00 0.00 39.78 38.78 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 -2.48 3.16 0.00 3.10 0.52 0.23 -4.96 118.94 118.51 3m3r s TRP 179 Ca 0.00 0.27 0.00 0.00 0.02 0.00 0.00 56.10 56.39 3m3r s TRP 179 Cb 0.00 -2.48 0.00 0.00 -1.15 0.00 0.00 33.47 29.84 3m3r s TRP 179 CO 0.00 -0.55 0.00 0.41 0.02 0.00 0.00 176.95 176.83 3m3r n GLY 180 N -2.23 0.77 3.76 0.98 0.00 -1.26 -1.11 105.19 106.11 3m3r n GLY 180 Ca 0.03 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.26 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 2.47 0.22 1.61 0.04 -1.26 -5.02 135.00 133.06 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 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 3m3r s PRO 181 CO 0.00 -1.49 -0.03 0.71 0.04 0.00 0.00 177.00 176.22 3m3r s TYR 182 N -2.60 2.71 0.34 0.56 2.02 0.05 -4.84 117.35 115.58 3m3r s TYR 182 Ca 0.64 -0.20 0.06 0.00 -0.37 0.00 0.00 57.07 57.20 3m3r s TYR 182 Cb -0.19 -1.26 -0.02 0.00 -0.40 0.00 0.00 41.96 40.08 3m3r s TYR 182 CO 0.49 0.57 0.32 0.16 -1.57 0.00 0.00 175.55 175.51 3m3r s ASP 183 N -3.25 1.57 0.10 2.29 3.84 -1.26 -0.94 116.67 119.03 3m3r s ASP 183 Ca 0.28 -1.72 0.06 0.00 -0.00 0.00 0.00 52.55 51.17 3m3r s ASP 183 Cb -0.08 0.58 0.34 0.00 -1.38 0.00 0.00 42.92 42.38 3m3r s ASP 183 CO 0.18 -1.11 1.14 0.54 -0.00 0.00 0.00 175.17 175.91 3m3r n ARG 184 N -0.62 0.04 0.00 2.11 1.74 -1.26 -1.75 116.66 116.92 3m3r n ARG 184 Ca 0.06 0.50 0.04 0.00 -0.77 0.00 0.00 57.85 57.68 3m3r n ARG 184 Cb 0.62 -1.71 -0.01 0.00 -1.02 0.00 0.00 32.46 30.35 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 -1.68 0.99 -4.57 0.55 8.00 -1.26 -4.84 116.55 113.74 3m3r n ASP 185 Ca -0.00 -1.00 -0.48 0.00 0.71 0.00 0.00 54.79 54.02 3m3r n ASP 185 Cb 0.08 0.55 -0.04 0.00 -0.02 0.00 0.00 41.12 41.70 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 -0.43 1.18 -3.67 -2.24 7.64 -0.72 -4.98 113.62 110.41 3m3r n SER 186 Ca 0.03 1.15 -0.11 0.00 1.01 0.00 0.00 58.87 60.95 3m3r n SER 186 Cb 0.17 -1.21 -0.11 0.00 -1.01 0.00 0.00 64.21 62.05 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 -0.37 -0.60 -0.11 1.43 -0.11 -1.26 -3.79 118.94 114.12 3m3r s TRP 187 Ca 0.71 1.24 0.00 0.00 1.22 0.00 0.00 56.10 59.27 3m3r s TRP 187 Cb -0.84 0.15 -0.02 0.00 -1.50 0.00 0.00 33.47 31.27 3m3r s TRP 187 CO 0.54 -0.40 -0.13 1.21 -4.62 0.00 0.00 176.95 173.55 3m3r s ASN 188 N 2.29 4.07 0.25 5.86 3.84 0.22 -4.94 114.94 126.53 3m3r s ASN 188 Ca -0.02 -0.28 -0.03 0.00 0.21 0.00 0.00 52.86 52.74 3m3r s ASN 188 Cb -0.11 -1.45 0.50 0.00 -0.55 0.00 0.00 41.25 39.63 3m3r s ASN 188 CO -0.11 0.21 1.73 -0.65 -2.79 0.00 0.00 177.10 175.49 3m3r h PRO 189 N 6.38 0.44 0.00 0.43 0.11 -2.01 0.77 132.00 138.12 3m3r h PRO 189 Ca -0.31 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.78 3m3r h PRO 189 Cb 1.20 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3m3r h PRO 189 CO 0.55 0.29 -0.00 0.28 -0.21 0.00 0.00 178.00 178.91 3m3r h VAL 190 N 0.45 1.66 -0.02 3.15 2.07 -1.98 -3.39 116.25 118.19 3m3r h VAL 190 Ca 0.44 -1.97 0.00 0.00 0.82 0.00 0.00 66.70 65.98 3m3r h VAL 190 Cb 0.68 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.45 3m3r h VAL 190 CO -0.42 0.51 -0.10 -1.22 0.02 0.00 0.00 177.57 176.36 3m3r n TYR 191 N -4.69 0.00 0.00 1.57 4.01 -1.17 -4.72 117.16 112.15 3m3r n TYR 191 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 3m3r n TYR 191 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 3m3r n TYR 191 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3m3r n GLY 192 N 1.06 1.96 3.45 2.72 0.00 0.27 0.96 105.19 115.61 3m3r n GLY 192 Ca 0.10 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 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 6.05 -0.03 1.61 3.84 1.00 0.70 114.94 124.11 3m3r s ASN 193 Ca 0.00 -0.88 0.08 0.00 0.21 0.00 0.00 52.86 52.27 3m3r s ASN 193 Cb 0.00 -2.14 0.28 0.00 -0.55 0.00 0.00 41.25 38.84 3m3r s ASN 193 CO 0.00 -0.43 1.16 0.00 -2.79 0.00 0.00 177.10 175.04 3m3r n GLN 194 N 5.13 1.92 -0.20 0.43 6.02 -1.26 -3.96 117.38 125.46 3m3r n GLN 194 Ca -0.11 -1.12 -0.05 0.00 -0.01 0.00 0.00 57.00 55.71 3m3r n GLN 194 Cb 0.47 -1.38 -0.05 0.00 1.02 0.00 0.00 30.24 30.30 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 0.34 -0.50 -1.05 1.08 0.00 -1.26 -1.76 117.00 113.85 3m3r n LEU 195 Ca 0.10 1.11 0.03 0.00 0.00 0.00 0.00 56.01 57.25 3m3r n LEU 195 Cb 0.35 -0.24 0.24 0.00 0.00 0.00 0.00 43.42 43.77 3m3r n LEU 195 CO 0.08 -0.82 0.74 0.49 0.00 0.00 0.00 177.39 177.88 3m3r n PHE 196 N -4.13 1.11 -2.70 1.96 3.72 -1.26 -4.79 117.46 111.37 3m3r n PHE 196 Ca 0.01 -1.13 -0.43 0.00 -0.05 0.00 0.00 57.45 55.85 3m3r n PHE 196 Cb 0.12 -0.40 -0.02 0.00 -0.94 0.00 0.00 39.48 38.24 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 -2.98 4.31 -0.06 -1.08 1.75 -0.72 -0.10 119.30 120.42 3m3r s MET 197 Ca 0.44 1.31 -0.26 0.00 -1.25 0.00 0.00 55.69 55.93 3m3r s MET 197 Cb 0.37 -3.60 -0.21 0.00 2.84 0.00 0.00 34.83 34.22 3m3r s MET 197 CO 0.06 -0.50 1.09 -0.22 -0.65 0.00 0.00 175.02 174.80 3m3r h LYS 198 N 7.35 -0.02 -5.44 4.11 3.64 -0.31 -3.43 116.57 122.46 3m3r h LYS 198 Ca -0.24 0.00 -0.44 0.00 -1.27 0.00 0.00 60.65 58.70 3m3r h LYS 198 Cb 1.09 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.69 3m3r h LYS 198 CO 0.92 0.60 -0.79 0.95 -2.27 0.00 0.00 179.45 178.87 3m3r s THR 199 N -3.60 1.19 0.09 1.00 -4.23 -1.26 -4.99 115.64 103.85 3m3r s THR 199 Ca -0.16 -1.23 -0.13 0.00 -1.18 0.00 0.00 61.69 58.98 3m3r s THR 199 Cb 0.00 -1.11 -0.17 0.00 1.34 0.00 0.00 72.50 72.56 3m3r s THR 199 CO 0.66 -0.12 1.28 0.03 -0.54 0.00 0.00 174.62 175.92 3m3r h ARG 200 N 4.49 0.77 -0.62 3.99 3.08 -1.91 -3.39 114.38 120.79 3m3r h ARG 200 Ca -0.41 -0.67 -0.30 0.00 0.07 0.00 0.00 59.98 58.68 3m3r h ARG 200 Cb 1.19 0.15 -0.33 0.00 0.08 0.00 0.00 29.97 31.05 3m3r h ARG 200 CO 0.41 1.27 -0.95 0.27 -1.07 0.00 0.00 179.97 179.90 3m3r n ASN 201 N -3.93 0.59 -4.70 7.04 0.23 -1.26 0.22 115.26 113.45 3m3r n ASN 201 Ca -0.08 -2.49 -0.30 0.00 -0.53 0.00 0.00 54.58 51.17 3m3r n ASN 201 Cb 0.77 -0.12 0.14 0.00 -2.08 0.00 0.00 39.78 38.49 3m3r n ASN 201 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 3m3r s GLY 202 N -2.73 1.64 0.06 4.83 0.00 -1.26 -4.95 107.32 104.90 3m3r s GLY 202 Ca 0.25 0.12 0.12 0.00 0.00 0.00 0.00 44.72 45.20 3m3r s GLY 202 CO -0.01 0.58 0.96 0.23 0.00 0.00 0.00 173.10 174.86 3m3r h SER 203 N -1.61 0.00 -3.07 1.64 0.87 -2.00 -3.48 113.55 105.90 3m3r h SER 203 Ca -0.48 0.00 -0.40 0.00 -1.23 0.00 0.00 61.79 59.68 3m3r h SER 203 Cb 1.27 0.00 0.22 0.00 -0.44 0.00 0.00 62.40 63.45 3m3r h SER 203 CO 0.51 0.88 -0.09 0.00 -0.53 0.00 0.00 176.83 177.60 3m3r s MET 204 N -2.72 -2.40 0.91 2.24 0.23 -1.26 -4.99 119.30 111.31 3m3r s MET 204 Ca -0.02 0.38 -0.11 0.00 -1.03 0.00 0.00 55.69 54.91 3m3r s MET 204 Cb 0.09 -1.42 0.14 0.00 -1.53 0.00 0.00 34.83 32.11 3m3r s MET 204 CO 0.81 -4.59 1.11 0.15 -2.03 0.00 0.00 175.02 170.47 3m3r s LYS 205 N -4.84 1.11 0.07 3.16 1.02 -1.26 -4.93 119.74 114.07 3m3r s LYS 205 Ca 0.69 1.22 -0.31 0.00 0.02 0.00 0.00 55.97 57.58 3m3r s LYS 205 Cb -0.18 -1.76 -0.18 0.00 -0.52 0.00 0.00 37.83 35.19 3m3r s LYS 205 CO 0.61 -2.46 1.61 0.00 -0.92 0.00 0.00 175.35 174.19 3m3r h ALA 206 N -1.73 -0.73 0.00 5.17 0.00 -1.42 -2.33 119.26 118.23 3m3r h ALA 206 Ca -0.47 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3m3r h ALA 206 Cb 1.27 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3m3r h ALA 206 CO 0.48 -0.89 0.26 0.00 0.00 0.00 0.00 179.25 179.09 3m3r n ALA 207 N -2.42 0.64 -1.06 0.00 0.00 -1.26 0.02 120.51 116.43 3m3r n ALA 207 Ca -0.12 0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.48 3m3r n ALA 207 Cb 0.31 -0.76 0.25 0.00 0.00 0.00 0.00 19.45 19.24 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 -1.86 3.70 -0.27 0.00 10.43 -0.88 -4.49 116.55 123.18 3m3r n ASP 208 Ca -0.01 -3.12 0.08 0.00 2.57 0.00 0.00 54.79 54.31 3m3r n ASP 208 Cb 0.28 -0.56 0.14 0.00 1.84 0.00 0.00 41.12 42.82 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 -0.61 1.97 -4.88 -2.24 5.15 0.10 -4.85 115.26 109.91 3m3r n ASN 209 Ca 0.23 -3.17 -0.35 0.00 -0.60 0.00 0.00 54.58 50.70 3m3r n ASN 209 Cb 0.92 -0.43 -0.05 0.00 -0.53 0.00 0.00 39.78 39.69 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 -2.66 3.58 0.40 1.20 0.08 -1.26 0.39 117.98 119.71 3m3r s PHE 210 Ca 0.31 0.62 -0.25 0.00 0.12 0.00 0.00 56.93 57.73 3m3r s PHE 210 Cb 0.28 -2.03 -0.11 0.00 -0.57 0.00 0.00 43.02 40.59 3m3r s PHE 210 CO -0.00 0.59 1.08 -0.11 -0.10 0.00 0.00 175.22 176.68 3m3r n LEU 211 N 1.06 2.84 -4.68 -0.37 7.94 0.85 -4.58 117.00 120.06 3m3r n LEU 211 Ca -0.10 1.08 -0.42 0.00 -1.11 0.00 0.00 56.01 55.46 3m3r n LEU 211 Cb 0.53 -1.38 -0.03 0.00 0.53 0.00 0.00 43.42 43.06 3m3r n LEU 211 CO 0.41 -1.23 1.34 -0.62 -1.11 0.00 0.00 177.39 176.18 3m3r s ASP 212 N -0.64 6.61 0.48 1.96 -1.08 -1.26 -4.87 116.67 117.87 3m3r s ASP 212 Ca 0.61 2.45 0.25 0.00 -0.52 0.00 0.00 52.55 55.34 3m3r s ASP 212 Cb -0.57 -2.56 1.30 0.00 -1.46 0.00 0.00 42.92 39.63 3m3r s ASP 212 CO 0.58 -0.90 1.88 1.55 0.52 0.00 0.00 175.17 178.80 3m3r h PRO 213 N 8.60 0.18 0.00 4.34 0.13 -1.92 0.66 132.00 143.98 3m3r h PRO 213 Ca -0.42 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3m3r h PRO 213 Cb 1.20 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3m3r h PRO 213 CO 0.93 0.12 0.00 -0.91 -0.23 0.00 0.00 178.00 177.91 3m3r h ASN 214 N 0.19 0.00 -0.29 1.44 2.35 -1.96 -2.15 115.58 115.15 3m3r h ASN 214 Ca 0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.19 3m3r h ASN 214 Cb 1.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.79 3m3r h ASN 214 CO -0.09 0.00 0.00 0.29 -1.65 0.00 0.00 177.43 175.98 3m3r n LYS 215 N -2.75 2.46 -4.61 0.81 5.02 0.23 -4.94 118.16 114.37 3m3r n LYS 215 Ca 0.00 -2.19 -0.28 0.00 -2.02 0.00 0.00 58.31 53.82 3m3r n LYS 215 Cb 0.21 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.61 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 -1.64 3.15 -0.07 7.82 0.00 -0.81 -4.78 121.76 125.43 3m3r s ALA 216 Ca 0.36 -2.23 -0.37 0.00 0.00 0.00 0.00 51.96 49.72 3m3r s ALA 216 Cb 0.22 0.20 -0.15 0.00 0.00 0.00 0.00 23.12 23.39 3m3r s ALA 216 CO 0.31 -0.13 1.62 0.45 0.00 0.00 0.00 175.76 178.02 3m3r n SER 217 N -0.96 2.46 0.33 0.00 2.88 -1.26 -4.83 113.62 112.23 3m3r n SER 217 Ca -0.05 1.07 0.17 0.00 -1.33 0.00 0.00 58.87 58.73 3m3r n SER 217 Cb 0.67 -1.24 0.91 0.00 -0.75 0.00 0.00 64.21 63.80 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 6.60 0.00 0.12 -3.46 4.64 -1.94 -1.09 113.55 118.42 3m3r h SER 218 Ca -0.47 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.72 3m3r h SER 218 Cb 1.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 3m3r h SER 218 CO 0.89 0.00 -0.45 -0.07 -0.87 0.00 0.00 176.83 176.34 3m3r h LEU 219 N 0.00 0.42 -1.13 5.97 4.07 -1.88 -2.50 115.31 120.26 3m3r h LEU 219 Ca 0.00 -0.19 0.10 0.00 0.08 0.00 0.00 57.88 57.87 3m3r h LEU 219 Cb 0.45 -0.12 -0.07 0.00 1.08 0.00 0.00 40.66 42.00 3m3r h LEU 219 CO 0.00 0.81 0.60 -0.07 -1.08 0.00 0.00 178.44 178.71 3m3r h LEU 220 N 0.32 0.86 0.00 1.67 3.38 -1.51 -3.09 115.31 116.95 3m3r h LEU 220 Ca 0.02 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3m3r h LEU 220 Cb 0.92 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3m3r h LEU 220 CO 0.08 0.50 0.00 -1.54 0.09 0.00 0.00 178.44 177.57 3m3r n SER 221 N -4.55 0.00 -0.21 -0.43 3.41 -1.18 -1.96 113.62 108.69 3m3r n SER 221 Ca 0.16 0.00 0.26 0.00 -0.26 0.00 0.00 58.87 59.03 3m3r n SER 221 Cb 0.31 -0.13 0.65 0.00 -0.26 0.00 0.00 64.21 64.79 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 0.14 -5.00 4.04 0.02 -1.66 0.46 113.55 111.55 3m3r h SER 222 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3m3r h SER 222 Cb 0.00 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.53 3m3r h SER 222 CO 0.00 0.05 0.00 0.61 -1.14 0.00 0.00 176.83 176.35 3m3r n GLY 223 N -1.65 1.68 3.34 -3.77 0.00 -1.15 -3.90 105.19 99.74 3m3r n GLY 223 Ca 0.19 -2.19 -0.32 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 -1.59 2.52 -0.37 1.61 5.36 0.35 -4.29 117.98 121.57 3m3r s PHE 224 Ca 0.00 -0.50 -0.08 0.00 -0.96 0.00 0.00 56.93 55.39 3m3r s PHE 224 Cb 0.00 -1.61 0.05 0.00 -0.34 0.00 0.00 43.02 41.12 3m3r s PHE 224 CO 0.00 -0.07 0.17 -1.12 -1.46 0.00 0.00 175.22 172.74 3m3r s SER 225 N -0.36 5.51 0.67 6.13 0.01 -1.26 -0.53 113.70 123.87 3m3r s SER 225 Ca 0.03 -1.23 -0.16 0.00 1.31 0.00 0.00 55.95 55.90 3m3r s SER 225 Cb -0.12 -1.94 0.01 0.00 0.21 0.00 0.00 66.02 64.18 3m3r s SER 225 CO 0.02 -0.40 1.20 -2.84 0.41 0.00 0.00 173.24 171.62 3m3r s PRO 226 N 1.44 2.50 -0.42 12.44 0.02 -1.24 -4.95 135.00 144.80 3m3r s PRO 226 Ca 0.01 1.74 0.08 0.00 0.02 0.00 0.00 61.00 62.85 3m3r s PRO 226 Cb -0.20 -1.88 0.30 0.00 0.02 0.00 0.00 34.50 32.74 3m3r s PRO 226 CO 0.03 -1.55 0.85 -3.47 -0.33 0.00 0.00 177.00 172.53 3m3r n ASP 227 N -2.30 -0.96 -4.62 2.53 -0.08 -1.22 -4.16 116.55 105.74 3m3r n ASP 227 Ca 0.13 -3.23 -0.32 0.00 -1.51 0.00 0.00 54.79 49.86 3m3r n ASP 227 Cb 0.50 0.63 -0.10 0.00 2.34 0.00 0.00 41.12 44.49 3m3r n ASP 227 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 3m3r s PHE 228 N -0.80 2.93 -0.06 -0.67 2.99 -0.93 -4.67 117.98 116.77 3m3r s PHE 228 Ca 0.32 -0.02 0.06 0.00 0.00 0.00 0.00 56.93 57.29 3m3r s PHE 228 Cb 0.28 -1.60 -0.01 0.00 0.00 0.00 0.00 43.02 41.69 3m3r s PHE 228 CO -0.11 0.41 -0.25 0.00 -0.00 0.00 0.00 175.22 175.28 3m3r s ALA 229 N -1.08 2.12 -0.06 5.36 0.00 0.23 -0.24 121.76 128.10 3m3r s ALA 229 Ca 0.19 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 51.16 3m3r s ALA 229 Cb -0.11 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.35 3m3r s ALA 229 CO 0.10 0.41 -0.18 0.99 0.00 0.00 0.00 175.76 177.08 3m3r s THR 230 N -0.16 1.54 -0.16 0.00 2.01 -0.07 -1.20 115.64 117.60 3m3r s THR 230 Ca -0.03 -0.75 -0.04 0.00 0.31 0.00 0.00 61.69 61.18 3m3r s THR 230 Cb -0.13 -1.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 3m3r s THR 230 CO 0.03 0.44 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.70 3m3r s VAL 231 N 0.27 4.07 -0.06 3.82 1.01 -0.04 -0.66 120.40 128.80 3m3r s VAL 231 Ca -0.10 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.63 3m3r s VAL 231 Cb -0.14 -2.79 -0.00 0.00 0.00 0.00 0.00 36.38 33.44 3m3r s VAL 231 CO 0.04 0.49 -0.20 -0.63 0.00 0.00 0.00 175.10 174.80 3m3r s ILE 232 N 0.34 1.70 0.21 2.22 1.01 0.00 -0.29 121.20 126.40 3m3r s ILE 232 Ca -0.03 -0.85 0.08 0.00 0.00 0.00 0.00 60.65 59.85 3m3r s ILE 232 Cb -0.14 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 3m3r s ILE 232 CO 0.02 0.48 0.02 0.42 0.00 0.00 0.00 174.94 175.88 3m3r s THR 233 N 0.13 3.72 -0.13 2.92 -4.23 -0.37 -0.78 115.64 116.90 3m3r s THR 233 Ca -0.08 -1.55 -0.07 0.00 -1.18 0.00 0.00 61.69 58.81 3m3r s THR 233 Cb -0.14 -2.92 0.05 0.00 1.34 0.00 0.00 72.50 70.83 3m3r s THR 233 CO 0.04 -0.20 0.31 -0.32 -0.54 0.00 0.00 174.62 173.91 3m3r s MET 234 N -3.23 0.27 0.20 3.99 0.00 -0.83 -2.02 119.30 117.69 3m3r s MET 234 Ca 0.29 0.66 -0.31 0.00 0.00 0.00 0.00 55.69 56.33 3m3r s MET 234 Cb -0.08 -0.07 -0.10 0.00 0.00 0.00 0.00 34.83 34.58 3m3r s MET 234 CO 0.20 -0.17 1.53 0.34 0.00 0.00 0.00 175.02 176.92 3m3r s ASP 235 N 1.45 6.58 0.52 1.11 2.15 -1.26 -1.22 116.67 126.01 3m3r s ASP 235 Ca -0.08 2.66 0.30 0.00 0.43 0.00 0.00 52.55 55.86 3m3r s ASP 235 Cb -0.10 -2.61 1.33 0.00 -0.30 0.00 0.00 42.92 41.25 3m3r s ASP 235 CO -0.10 -0.80 1.99 0.03 -0.17 0.00 0.00 175.17 176.12 3m3r h ARG 236 N 6.12 0.00 -0.01 4.34 3.08 -1.95 -2.53 114.38 123.43 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 0.87 0.10 -0.13 1.63 -1.07 0.00 0.00 179.97 181.37 3m3r n LYS 237 N -3.32 1.18 -1.64 0.04 4.76 -1.26 -4.93 118.16 112.99 3m3r n LYS 237 Ca -0.00 -0.66 -0.48 0.00 -2.87 0.00 0.00 58.31 54.30 3m3r n LYS 237 Cb 0.31 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 31.97 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 -0.34 0.44 -0.05 7.82 0.00 -0.96 -4.88 120.51 122.55 3m3r n ALA 238 Ca 0.16 0.47 -0.08 0.00 0.00 0.00 0.00 53.44 53.98 3m3r n ALA 238 Cb 0.34 -2.24 -0.02 0.00 0.00 0.00 0.00 19.45 17.53 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 5.22 -0.09 -3.63 0.00 0.87 -1.91 -3.39 113.55 110.62 3m3r h SER 239 Ca -0.46 0.05 -0.69 0.00 -1.23 0.00 0.00 61.79 59.46 3m3r h SER 239 Cb 1.29 0.09 -0.21 0.00 -0.44 0.00 0.00 62.40 63.13 3m3r h SER 239 CO 0.83 -0.02 -0.48 -0.75 -0.53 0.00 0.00 176.83 175.88 3m3r s LYS 240 N -6.19 3.24 -0.40 2.24 2.20 -1.26 -5.00 119.74 114.57 3m3r s LYS 240 Ca -0.13 -0.82 0.02 0.00 -0.36 0.00 0.00 55.97 54.68 3m3r s LYS 240 Cb 0.10 -3.81 0.46 0.00 -1.51 0.00 0.00 37.83 33.07 3m3r s LYS 240 CO 0.69 -0.56 1.82 1.04 -0.36 0.00 0.00 175.35 177.97 3m3r n GLN 241 N 5.09 2.08 -4.39 4.03 1.13 -1.26 -4.88 117.38 119.18 3m3r n GLN 241 Ca -0.12 -2.40 -0.24 0.00 -1.94 0.00 0.00 57.00 52.31 3m3r n GLN 241 Cb 0.48 -1.94 -0.13 0.00 0.11 0.00 0.00 30.24 28.76 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 -2.68 1.16 -0.05 -1.09 1.11 -1.26 -1.41 119.66 115.44 3m3r s GLN 242 Ca 0.46 -1.04 -0.04 0.00 0.01 0.00 0.00 55.36 54.75 3m3r s GLN 242 Cb 0.38 -1.33 0.02 0.00 -1.01 0.00 0.00 33.01 31.07 3m3r s GLN 242 CO 0.05 0.32 0.14 0.99 0.01 0.00 0.00 175.29 176.80 3m3r s THR 243 N -1.03 -0.01 0.07 -0.19 2.01 0.19 -4.97 115.64 111.70 3m3r s THR 243 Ca 0.06 0.05 -0.00 0.00 0.31 0.00 0.00 61.69 62.11 3m3r s THR 243 Cb -0.09 -0.21 -0.04 0.00 0.01 0.00 0.00 72.50 72.17 3m3r s THR 243 CO 0.03 0.02 0.22 0.20 -0.69 0.00 0.00 174.62 174.40 3m3r s ASN 244 N 0.39 6.36 -0.20 3.53 0.01 -1.26 0.86 114.94 124.62 3m3r s ASN 244 Ca -0.03 0.28 -0.13 0.00 -0.71 0.00 0.00 52.86 52.27 3m3r s ASN 244 Cb -0.04 -1.96 0.06 0.00 0.41 0.00 0.00 41.25 39.72 3m3r s ASN 244 CO -0.02 0.16 0.50 -0.51 -1.51 0.00 0.00 177.10 175.73 3m3r s ILE 245 N -1.52 -0.01 -0.06 0.60 2.07 -0.90 -4.26 121.20 117.11 3m3r s ILE 245 Ca 0.35 0.04 -0.04 0.00 -1.41 0.00 0.00 60.65 59.59 3m3r s ILE 245 Cb -0.13 -0.72 -0.04 0.00 0.13 0.00 0.00 42.46 41.70 3m3r s ILE 245 CO 0.28 0.02 0.14 -1.81 -1.91 0.00 0.00 174.94 171.66 3m3r s ASP 246 N 1.09 6.26 -0.11 4.50 -0.00 -0.42 -0.77 116.67 127.22 3m3r s ASP 246 Ca -0.07 0.38 0.01 0.00 -0.00 0.00 0.00 52.55 52.87 3m3r s ASP 246 Cb -0.06 -1.97 0.02 0.00 -0.00 0.00 0.00 42.92 40.90 3m3r s ASP 246 CO -0.10 0.34 -0.13 -0.69 -0.00 0.00 0.00 175.17 174.59 3m3r s VAL 247 N -1.15 1.37 -0.13 -1.27 1.01 0.82 -1.01 120.40 120.04 3m3r s VAL 247 Ca 0.20 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.66 3m3r s VAL 247 Cb -0.12 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 34.99 3m3r s VAL 247 CO 0.11 0.42 -0.21 -0.63 0.00 0.00 0.00 175.10 174.78 3m3r s ILE 248 N 1.14 2.24 -0.13 2.22 1.09 -0.20 -1.13 121.20 126.43 3m3r s ILE 248 Ca -0.04 -0.93 -0.03 0.00 -1.10 0.00 0.00 60.65 58.54 3m3r s ILE 248 Cb -0.14 -1.89 -0.03 0.00 -1.06 0.00 0.00 42.46 39.33 3m3r s ILE 248 CO -0.03 0.54 -0.02 -0.31 -0.10 0.00 0.00 174.94 175.02 3m3r s TYR 249 N 0.63 3.07 0.03 3.97 4.12 0.13 -1.02 117.35 128.29 3m3r s TYR 249 Ca -0.11 -0.10 -0.00 0.00 0.02 0.00 0.00 57.07 56.88 3m3r s TYR 249 Cb -0.16 -1.90 -0.03 0.00 -1.52 0.00 0.00 41.96 38.35 3m3r s TYR 249 CO 0.02 0.16 -0.03 -2.00 0.02 0.00 0.00 175.55 173.72 3m3r s GLU 250 N -0.09 0.44 -0.06 -0.62 2.12 0.32 -0.55 118.70 120.27 3m3r s GLU 250 Ca 0.03 -0.86 -0.01 0.00 0.36 0.00 0.00 54.97 54.49 3m3r s GLU 250 Cb -0.13 0.13 0.03 0.00 0.26 0.00 0.00 34.13 34.41 3m3r s GLU 250 CO 0.02 -0.07 -0.01 0.50 -0.54 0.00 0.00 175.26 175.17 3m3r s ARG 251 N -2.45 0.62 -0.19 4.30 3.52 1.00 -1.03 118.95 124.72 3m3r s ARG 251 Ca -0.06 0.06 -0.07 0.00 -0.13 0.00 0.00 55.73 55.52 3m3r s ARG 251 Cb -0.03 -0.89 -0.04 0.00 -1.56 0.00 0.00 34.95 32.44 3m3r s ARG 251 CO -0.04 -0.24 0.07 0.08 -0.81 0.00 0.00 175.30 174.36 3m3r s VAL 252 N 1.63 4.78 0.00 7.11 1.01 -0.22 0.05 120.40 134.77 3m3r s VAL 252 Ca -0.00 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 61.99 3m3r s VAL 252 Cb -0.13 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 3m3r s VAL 252 CO -0.04 0.45 -0.15 -0.13 0.00 0.00 0.00 175.10 175.23 3m3r s ARG 253 N 0.47 2.29 0.39 2.72 0.52 0.16 -0.84 118.95 124.66 3m3r s ARG 253 Ca 0.03 -0.85 0.08 0.00 -0.52 0.00 0.00 55.73 54.47 3m3r s ARG 253 Cb -0.13 -2.29 -0.01 0.00 0.52 0.00 0.00 34.95 33.04 3m3r s ARG 253 CO 0.01 0.58 0.43 -0.51 0.02 0.00 0.00 175.30 175.82 3m3r s ASP 254 N -1.19 5.41 -0.25 0.23 1.11 0.29 0.16 116.67 122.44 3m3r s ASP 254 Ca 0.14 -0.51 0.02 0.00 0.18 0.00 0.00 52.55 52.37 3m3r s ASP 254 Cb -0.11 -0.78 0.05 0.00 1.07 0.00 0.00 42.92 43.15 3m3r s ASP 254 CO 0.04 -0.59 -0.12 -0.62 1.18 0.00 0.00 175.17 175.07 3m3r s ASP 255 N -4.17 4.21 -0.38 0.27 -1.08 0.06 -2.45 116.67 113.13 3m3r s ASP 255 Ca 0.48 -1.20 -0.10 0.00 -0.52 0.00 0.00 52.55 51.21 3m3r s ASP 255 Cb -0.07 -1.56 0.04 0.00 -1.46 0.00 0.00 42.92 39.88 3m3r s ASP 255 CO 0.30 -0.15 0.20 -0.47 0.52 0.00 0.00 175.17 175.57 3m3r s TYR 256 N 1.17 3.26 -0.08 -5.34 6.14 0.07 -0.06 117.35 122.52 3m3r s TYR 256 Ca -0.05 -1.16 -0.01 0.00 0.64 0.00 0.00 57.07 56.50 3m3r s TYR 256 Cb -0.18 -2.53 -0.03 0.00 0.42 0.00 0.00 41.96 39.64 3m3r s TYR 256 CO -0.06 -0.71 -0.04 -0.65 0.64 0.00 0.00 175.55 174.73 3m3r s GLN 257 N 1.50 2.89 0.10 4.97 -0.21 0.18 -0.90 119.66 128.18 3m3r s GLN 257 Ca 0.01 -0.48 0.08 0.00 0.02 0.00 0.00 55.36 54.99 3m3r s GLN 257 Cb -0.20 -2.69 -0.04 0.00 1.00 0.00 0.00 33.01 31.08 3m3r s GLN 257 CO 0.05 0.67 -0.18 -0.51 -2.12 0.00 0.00 175.29 173.20 3m3r s LEU 258 N -0.80 2.69 -0.25 2.90 1.43 -0.67 -0.57 118.68 123.41 3m3r s LEU 258 Ca 0.12 -0.52 -0.20 0.00 -1.03 0.00 0.00 54.13 52.50 3m3r s LEU 258 Cb -0.11 -1.55 0.07 0.00 0.03 0.00 0.00 46.19 44.63 3m3r s LEU 258 CO 0.02 0.20 0.65 -1.38 0.23 0.00 0.00 176.35 176.07 3m3r s HIS 259 N -1.09 -0.79 0.05 0.29 -3.43 -1.06 -2.21 115.29 107.05 3m3r s HIS 259 Ca 0.17 1.82 -0.31 0.00 -0.80 0.00 0.00 55.06 55.94 3m3r s HIS 259 Cb -0.11 0.34 -0.06 0.00 -1.43 0.00 0.00 32.58 31.32 3m3r s HIS 259 CO 0.09 -0.39 1.34 -0.46 -2.00 0.00 0.00 174.74 173.32 3m3r s TRP 260 N 0.70 3.13 -2.01 0.38 -0.00 -0.03 -2.17 118.94 118.94 3m3r s TRP 260 Ca -0.03 0.99 0.14 0.00 -0.00 0.00 0.00 56.10 57.20 3m3r s TRP 260 Cb -0.05 -3.60 0.41 0.00 -0.00 0.00 0.00 33.47 30.22 3m3r s TRP 260 CO -0.05 -2.11 1.34 0.25 -0.00 0.00 0.00 176.95 176.38 3m3r n THR 261 N 4.26 0.58 0.00 5.86 -2.24 0.16 -4.89 114.28 118.02 3m3r n THR 261 Ca 0.12 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 3m3r n THR 261 Cb 0.44 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 3m3r n THR 261 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3m3r n SER 262 N 0.80 0.00 0.00 3.42 7.64 -1.26 -4.62 113.62 119.60 3m3r n SER 262 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.03 3m3r n SER 262 Cb 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 3m3r n SER 262 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3m3r n THR 263 N 0.00 0.00 -3.80 0.44 -2.24 -1.26 -5.11 114.28 102.31 3m3r n THR 263 Ca 0.00 -0.12 -0.05 0.00 -2.27 0.00 0.00 64.05 61.61 3m3r n THR 263 Cb 0.00 0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 68.79 3m3r n THR 263 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3m3r s ASN 264 N -1.39 -0.20 0.02 3.42 4.22 -1.26 -4.86 114.94 114.89 3m3r s ASN 264 Ca 0.00 -0.50 -0.21 0.00 -2.14 0.00 0.00 52.86 50.01 3m3r s ASN 264 Cb 0.00 0.59 -0.06 0.00 1.28 0.00 0.00 41.25 43.06 3m3r s ASN 264 CO 0.00 -1.09 0.61 0.26 -2.04 0.00 0.00 177.10 174.84 3m3r s TRP 265 N -3.50 3.72 -0.05 1.54 0.52 0.60 0.36 118.94 122.14 3m3r s TRP 265 Ca 0.12 1.26 0.05 0.00 0.02 0.00 0.00 56.10 57.54 3m3r s TRP 265 Cb -0.03 -2.61 -0.00 0.00 -1.15 0.00 0.00 33.47 29.68 3m3r s TRP 265 CO 0.04 0.40 -0.19 0.21 0.02 0.00 0.00 176.95 177.44 3m3r s LYS 266 N -0.42 1.98 0.01 4.98 2.20 -0.92 -4.50 119.74 123.06 3m3r s LYS 266 Ca 0.31 -0.67 0.02 0.00 -0.36 0.00 0.00 55.97 55.28 3m3r s LYS 266 Cb -0.19 -1.70 -0.04 0.00 -1.51 0.00 0.00 37.83 34.40 3m3r s LYS 266 CO 0.18 0.26 -0.02 0.20 -0.36 0.00 0.00 175.35 175.61 3m3r s GLY 267 N 0.04 1.84 -0.01 5.54 0.00 0.27 -2.55 107.32 112.45 3m3r s GLY 267 Ca -0.05 -0.99 0.02 0.00 0.00 0.00 0.00 44.72 43.70 3m3r s GLY 267 CO 0.03 -0.86 -0.05 -1.59 0.00 0.00 0.00 173.10 170.63 3m3r s THR 268 N -1.07 0.44 -0.10 0.90 2.01 0.27 -0.00 115.64 118.08 3m3r s THR 268 Ca 0.19 -0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.01 3m3r s THR 268 Cb -0.11 -0.39 0.01 0.00 0.01 0.00 0.00 72.50 72.02 3m3r s THR 268 CO 0.10 0.14 -0.14 0.21 -0.69 0.00 0.00 174.62 174.24 3m3r s ASN 269 N 0.09 2.34 -0.29 3.53 2.47 -1.26 0.48 114.94 122.30 3m3r s ASN 269 Ca -0.01 -0.40 -0.08 0.00 0.42 0.00 0.00 52.86 52.79 3m3r s ASN 269 Cb -0.05 -1.04 -0.01 0.00 -1.45 0.00 0.00 41.25 38.70 3m3r s ASN 269 CO -0.00 0.01 0.11 -0.89 -3.72 0.00 0.00 177.10 172.61 3m3r s THR 270 N 0.98 4.38 0.50 -5.21 2.01 0.92 -4.93 115.64 114.28 3m3r s THR 270 Ca -0.07 -0.40 -0.21 0.00 0.31 0.00 0.00 61.69 61.32 3m3r s THR 270 Cb -0.15 -3.18 -0.07 0.00 0.01 0.00 0.00 72.50 69.11 3m3r s THR 270 CO -0.01 0.15 1.11 -0.54 -0.69 0.00 0.00 174.62 174.65 3m3r s LYS 271 N 1.59 3.62 -1.49 4.92 1.02 -1.26 -0.76 119.74 127.38 3m3r s LYS 271 Ca 0.05 1.60 -0.05 0.00 0.02 0.00 0.00 55.97 57.58 3m3r s LYS 271 Cb -0.16 -2.18 0.01 0.00 -0.52 0.00 0.00 37.83 34.97 3m3r s LYS 271 CO 0.05 -0.62 0.14 -0.25 -0.92 0.00 0.00 175.35 173.74 3m3r n ASP 272 N -0.91 0.08 0.09 2.83 10.43 -1.24 -4.88 116.55 122.95 3m3r n ASP 272 Ca 0.09 -1.26 -0.12 0.00 2.57 0.00 0.00 54.79 56.07 3m3r n ASP 272 Cb 0.50 -1.72 -0.08 0.00 1.84 0.00 0.00 41.12 41.66 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 -1.92 -0.24 -6.76 -1.24 1.63 -0.44 -3.46 116.57 104.14 3m3r h LYS 273 Ca -0.67 0.02 -0.69 0.00 -0.85 0.00 0.00 60.65 58.46 3m3r h LYS 273 Cb 1.40 0.05 -0.25 0.00 -0.60 0.00 0.00 32.23 32.83 3m3r h LYS 273 CO 0.67 0.14 -0.88 -1.58 -3.45 0.00 0.00 179.45 174.36 3m3r s TRP 274 N -4.29 2.29 -0.22 1.91 0.51 -0.92 -4.98 118.94 113.24 3m3r s TRP 274 Ca -0.14 -0.40 -0.01 0.00 -2.12 0.00 0.00 56.10 53.43 3m3r s TRP 274 Cb 0.02 -1.33 0.06 0.00 -0.81 0.00 0.00 33.47 31.41 3m3r s TRP 274 CO 0.56 0.19 -0.01 0.99 -0.51 0.00 0.00 176.95 178.18 3m3r s THR 275 N -0.89 1.06 -0.33 2.01 2.01 -1.26 0.41 115.64 118.65 3m3r s THR 275 Ca 0.12 -0.95 -0.19 0.00 0.31 0.00 0.00 61.69 60.98 3m3r s THR 275 Cb -0.10 -1.47 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 3m3r s THR 275 CO 0.03 -0.18 0.56 -1.81 -0.69 0.00 0.00 174.62 172.52 3m3r s ASP 276 N 1.60 6.38 -0.18 3.53 1.01 0.11 -4.94 116.67 124.18 3m3r s ASP 276 Ca -0.03 0.15 0.01 0.00 0.71 0.00 0.00 52.55 53.39 3m3r s ASP 276 Cb -0.18 -2.29 0.03 0.00 1.01 0.00 0.00 42.92 41.49 3m3r s ASP 276 CO -0.08 -0.48 -0.16 -0.60 0.21 0.00 0.00 175.17 174.06 3m3r s ARG 277 N 2.48 2.60 -0.26 8.23 3.52 -1.26 -0.00 118.95 134.27 3m3r s ARG 277 Ca 0.21 -0.82 -0.00 0.00 -0.13 0.00 0.00 55.73 54.99 3m3r s ARG 277 Cb -0.15 -2.47 0.04 0.00 -1.56 0.00 0.00 34.95 30.81 3m3r s ARG 277 CO 0.13 -0.29 -0.08 0.45 -0.81 0.00 0.00 175.30 174.71 3m3r s SER 278 N 1.33 4.35 0.11 -2.12 0.15 0.29 -5.00 113.70 112.81 3m3r s SER 278 Ca 0.03 -1.08 0.07 0.00 0.70 0.00 0.00 55.95 55.67 3m3r s SER 278 Cb -0.14 -1.62 -0.04 0.00 -1.71 0.00 0.00 66.02 62.51 3m3r s SER 278 CO -0.11 -0.16 -0.11 -0.55 1.20 0.00 0.00 173.24 173.51 3m3r s SER 279 N 1.24 4.33 -0.17 5.45 0.15 -1.26 -0.69 113.70 122.76 3m3r s SER 279 Ca -0.03 -0.42 -0.15 0.00 0.70 0.00 0.00 55.95 56.05 3m3r s SER 279 Cb -0.18 -0.80 0.04 0.00 -1.71 0.00 0.00 66.02 63.38 3m3r s SER 279 CO -0.05 0.17 0.45 -0.70 1.20 0.00 0.00 173.24 174.31 3m3r s GLU 280 N -2.26 0.52 -0.13 5.44 2.12 -0.28 -4.98 118.70 119.13 3m3r s GLU 280 Ca 0.21 0.64 -0.07 0.00 0.36 0.00 0.00 54.97 56.12 3m3r s GLU 280 Cb -0.11 0.24 -0.04 0.00 0.26 0.00 0.00 34.13 34.48 3m3r s GLU 280 CO 0.14 -0.07 0.12 0.50 -0.54 0.00 0.00 175.26 175.40 3m3r s ARG 281 N 0.32 3.50 0.21 4.30 3.52 -1.26 -0.12 118.95 129.42 3m3r s ARG 281 Ca -0.01 -0.19 0.11 0.00 -0.13 0.00 0.00 55.73 55.51 3m3r s ARG 281 Cb -0.03 -3.17 -0.05 0.00 -1.56 0.00 0.00 34.95 30.14 3m3r s ARG 281 CO -0.00 0.68 -0.21 0.71 -0.81 0.00 0.00 175.30 175.67 3m3r s TYR 282 N -0.76 2.18 -0.17 5.12 2.02 0.05 -4.60 117.35 121.18 3m3r s TYR 282 Ca 0.13 -0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 56.44 3m3r s TYR 282 Cb -0.12 -1.04 -0.01 0.00 -0.40 0.00 0.00 41.96 40.40 3m3r s TYR 282 CO 0.03 0.52 -0.11 0.21 -1.57 0.00 0.00 175.55 174.62 3m3r s LYS 283 N -2.96 3.31 -0.27 -0.62 2.20 0.32 -2.12 119.74 119.60 3m3r s LYS 283 Ca 0.22 -0.69 -0.09 0.00 -0.36 0.00 0.00 55.97 55.05 3m3r s LYS 283 Cb -0.06 -2.75 -0.03 0.00 -1.51 0.00 0.00 37.83 33.48 3m3r s LYS 283 CO 0.10 -0.01 0.12 0.42 -0.36 0.00 0.00 175.35 175.63 3m3r s ILE 284 N 0.91 4.63 -0.42 5.43 1.01 0.25 -1.11 121.20 131.90 3m3r s ILE 284 Ca -0.03 -0.15 -0.06 0.00 0.00 0.00 0.00 60.65 60.41 3m3r s ILE 284 Cb -0.15 -3.23 0.10 0.00 0.01 0.00 0.00 42.46 39.20 3m3r s ILE 284 CO -0.01 0.25 0.24 -0.62 0.00 0.00 0.00 174.94 174.80 3m3r s ASP 285 N 1.65 5.44 0.17 3.58 3.68 -0.73 0.53 116.67 130.99 3m3r s ASP 285 Ca 0.06 -1.82 0.19 0.00 2.13 0.00 0.00 52.55 53.11 3m3r s ASP 285 Cb -0.16 -1.91 0.83 0.00 -1.45 0.00 0.00 42.92 40.24 3m3r s ASP 285 CO 0.06 -0.56 1.59 0.79 0.13 0.00 0.00 175.17 177.18 3m3r n TRP 286 N 4.76 0.51 -0.09 -5.34 7.02 -0.50 -0.41 117.44 123.38 3m3r n TRP 286 Ca -0.06 0.21 -0.23 0.00 -1.02 0.00 0.00 57.50 56.39 3m3r n TRP 286 Cb 0.42 -0.84 -0.12 0.00 -2.42 0.00 0.00 31.31 28.35 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 -1.97 0.61 0.15 -0.99 1.02 -1.26 -4.07 120.64 114.13 3m3r n GLU 287 Ca 0.02 0.45 0.13 0.00 -0.02 0.00 0.00 57.16 57.74 3m3r n GLU 287 Cb 0.18 -1.68 0.39 0.00 -0.02 0.00 0.00 31.44 30.31 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 -0.77 0.00 -5.51 3.49 1.57 -1.91 -3.47 116.57 109.96 3m3r h LYS 288 Ca -0.44 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.07 3m3r h LYS 288 Cb 1.52 0.00 0.19 0.00 0.08 0.00 0.00 32.23 34.02 3m3r h LYS 288 CO -0.20 0.00 -0.84 0.39 -0.57 0.00 0.00 179.45 178.23 3m3r n GLU 289 N -2.54 -3.11 -3.90 3.15 1.02 0.45 -5.03 120.64 110.69 3m3r n GLU 289 Ca 0.04 0.85 -0.09 0.00 -0.02 0.00 0.00 57.16 57.95 3m3r n GLU 289 Cb 0.40 -5.80 -0.08 0.00 -0.02 0.00 0.00 31.44 25.95 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 -4.64 0.75 -0.05 3.49 -1.05 -1.08 -4.87 118.70 111.26 3m3r s GLU 290 Ca 0.37 -0.92 0.03 0.00 -0.15 0.00 0.00 54.97 54.30 3m3r s GLU 290 Cb -0.05 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.94 3m3r s GLU 290 CO 0.74 -0.22 -0.14 1.41 0.95 0.00 0.00 175.26 178.01 3m3r s MET 291 N -3.50 1.59 0.12 -4.83 1.75 -1.26 -1.77 119.30 111.41 3m3r s MET 291 Ca 0.02 -0.47 0.04 0.00 -1.25 0.00 0.00 55.69 54.03 3m3r s MET 291 Cb 0.04 -1.36 -0.04 0.00 2.84 0.00 0.00 34.83 36.30 3m3r s MET 291 CO -0.09 0.13 -0.10 0.95 -0.65 0.00 0.00 175.02 175.27 3m3r s THR 292 N 0.30 1.05 0.00 10.11 -4.23 -0.26 -4.94 115.64 117.68 3m3r s THR 292 Ca -0.08 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 3m3r s THR 292 Cb -0.13 -1.67 0.00 0.00 1.34 0.00 0.00 72.50 72.05 3m3r s THR 292 CO 0.02 -0.69 0.13 -0.46 -0.54 0.00 0.00 174.62 173.08