#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 -0.27 -0.32 0.00 3.45 -1.93 1.03 116.42 118.37 3m3r h ASP 2 Ca 0.00 0.25 0.09 0.00 0.43 0.00 0.00 57.03 57.80 3m3r h ASP 2 Cb 0.00 0.40 -0.01 0.00 -0.56 0.00 0.00 39.33 39.15 3m3r h ASP 2 CO 0.00 -0.29 0.24 0.77 -1.57 0.00 0.00 179.24 178.39 3m3r h SER 3 N 0.07 0.00 0.65 6.45 4.64 -1.91 0.19 113.55 123.64 3m3r h SER 3 Ca 0.59 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.85 3m3r h SER 3 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 3m3r h SER 3 CO -0.81 0.00 -0.31 0.44 -0.87 0.00 0.00 176.83 175.28 3m3r h ASP 4 N 0.00 0.00 -0.49 4.97 5.19 0.78 -2.81 116.42 124.05 3m3r h ASP 4 Ca 0.15 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.28 3m3r h ASP 4 Cb 0.64 0.00 -0.17 0.00 0.18 0.00 0.00 39.33 39.98 3m3r h ASP 4 CO -0.00 0.31 -0.02 2.30 -3.12 0.00 0.00 179.24 178.71 3m3r n ILE 5 N -3.66 2.69 -3.02 0.35 -5.35 0.57 -4.95 119.36 105.99 3m3r n ILE 5 Ca -0.01 -2.83 -0.21 0.00 -0.27 0.00 0.00 62.75 59.43 3m3r n ILE 5 Cb 0.42 -0.46 0.01 0.00 -1.74 0.00 0.00 39.64 37.87 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 -1.08 -4.77 -4.39 7.28 4.13 -1.00 -4.99 115.26 110.44 3m3r n ASN 6 Ca 0.39 -0.23 -0.32 0.00 1.68 0.00 0.00 54.58 56.10 3m3r n ASN 6 Cb 1.07 -3.92 -0.15 0.00 -1.54 0.00 0.00 39.78 35.25 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 -2.98 2.58 -0.11 2.41 1.01 -0.57 -4.99 121.20 118.54 3m3r s ILE 7 Ca 0.27 -0.90 -0.37 0.00 0.00 0.00 0.00 60.65 59.64 3m3r s ILE 7 Cb -0.13 -1.96 -0.15 0.00 0.01 0.00 0.00 42.46 40.23 3m3r s ILE 7 CO 0.34 0.58 1.68 1.17 0.00 0.00 0.00 174.94 178.70 3m3r n LYS 8 N 2.45 1.51 -1.59 2.79 4.81 -1.26 -3.39 118.16 123.48 3m3r n LYS 8 Ca -0.17 0.55 -0.52 0.00 -0.87 0.00 0.00 58.31 57.30 3m3r n LYS 8 Cb 0.52 -2.27 -0.06 0.00 0.02 0.00 0.00 35.03 33.23 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 4.17 0.04 -0.24 3.15 -1.04 -1.26 -1.12 114.28 117.98 3m3r n THR 9 Ca 0.23 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 3m3r n THR 9 Cb 0.20 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 67.90 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 2.49 1.95 0.31 3.41 0.00 -1.26 -4.93 105.19 107.15 3m3r n GLY 10 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 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 0.67 -0.01 2.61 2.02 -1.47 -1.97 112.91 114.76 3m3r h THR 11 Ca 0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3m3r h THR 11 Cb 0.00 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.47 3m3r h THR 11 CO 0.00 0.10 -0.24 0.35 0.37 0.00 0.00 175.52 176.10 3m3r n THR 12 N -4.92 0.00 -1.32 3.16 -2.24 -1.26 -4.94 114.28 102.76 3m3r n THR 12 Ca 0.18 -0.16 -0.32 0.00 -2.27 0.00 0.00 64.05 61.48 3m3r n THR 12 Cb 0.48 0.52 0.09 0.00 -2.10 0.00 0.00 70.33 69.32 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 -2.42 4.47 0.12 3.42 1.01 -0.74 -5.04 116.67 117.48 3m3r s ASP 13 Ca 0.26 1.92 0.04 0.00 0.71 0.00 0.00 52.55 55.48 3m3r s ASP 13 Cb 0.19 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.55 3m3r s ASP 13 CO 0.50 -2.06 0.08 -0.63 0.21 0.00 0.00 175.17 173.27 3m3r s ILE 14 N -2.72 4.38 0.00 0.77 1.01 -1.26 -4.77 121.20 118.61 3m3r s ILE 14 Ca 0.63 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 60.33 3m3r s ILE 14 Cb -0.19 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.13 3m3r s ILE 14 CO 0.53 0.03 0.00 0.61 0.00 0.00 0.00 174.94 176.11 3m3r n GLY 15 N 0.16 1.24 3.76 6.18 0.00 -1.26 -5.12 105.19 110.15 3m3r n GLY 15 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.92 5.93 -1.50 1.61 1.04 -1.26 -3.22 113.70 115.38 3m3r s SER 16 Ca 0.00 2.55 -0.13 0.00 0.48 0.00 0.00 55.95 58.85 3m3r s SER 16 Cb 0.00 -2.62 0.07 0.00 0.10 0.00 0.00 66.02 63.57 3m3r s SER 16 CO 0.00 -1.10 1.00 -3.20 0.98 0.00 0.00 173.24 170.92 3m3r n ASN 17 N -0.48 -4.87 -3.93 7.02 4.05 -1.26 -4.95 115.26 110.83 3m3r n ASN 17 Ca 0.07 -0.75 -0.17 0.00 0.45 0.00 0.00 54.58 54.19 3m3r n ASN 17 Cb 0.46 -4.05 -0.15 0.00 1.23 0.00 0.00 39.78 37.27 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 -3.32 0.40 -0.41 -0.44 2.01 -1.20 -4.91 115.64 107.78 3m3r s THR 18 Ca 0.63 -0.16 -0.24 0.00 0.31 0.00 0.00 61.69 62.23 3m3r s THR 18 Cb -0.31 -0.38 0.02 0.00 0.01 0.00 0.00 72.50 71.84 3m3r s THR 18 CO 0.82 0.14 0.82 -0.89 -0.69 0.00 0.00 174.62 174.81 3m3r s THR 19 N 0.22 4.65 -0.08 -0.82 2.01 -1.26 -5.02 115.64 115.33 3m3r s THR 19 Ca -0.02 0.74 -0.19 0.00 0.31 0.00 0.00 61.69 62.52 3m3r s THR 19 Cb -0.06 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 3m3r s THR 19 CO -0.00 -0.60 0.54 -0.69 -0.69 0.00 0.00 174.62 173.18 3m3r s VAL 20 N 3.30 5.10 -0.18 3.82 1.01 -1.26 -4.70 120.40 127.48 3m3r s VAL 20 Ca 0.32 1.10 -0.06 0.00 0.00 0.00 0.00 61.98 63.34 3m3r s VAL 20 Cb -0.12 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 3m3r s VAL 20 CO 0.20 0.34 0.02 -0.54 0.00 0.00 0.00 175.10 175.12 3m3r s LYS 21 N 0.44 3.78 0.40 2.72 -0.14 -1.04 -4.95 119.74 120.96 3m3r s LYS 21 Ca 0.29 -0.45 0.06 0.00 -1.36 0.00 0.00 55.97 54.51 3m3r s LYS 21 Cb -0.16 -3.09 -0.07 0.00 -1.68 0.00 0.00 37.83 32.82 3m3r s LYS 21 CO 0.13 0.18 0.02 0.95 -0.76 0.00 0.00 175.35 175.88 3m3r s THR 22 N 0.56 1.79 -0.05 2.17 -4.23 -1.26 -0.11 115.64 114.51 3m3r s THR 22 Ca 0.00 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.21 3m3r s THR 22 Cb -0.14 -2.90 0.11 0.00 1.34 0.00 0.00 72.50 70.92 3m3r s THR 22 CO 0.02 0.00 0.95 -0.83 -0.54 0.00 0.00 174.62 174.22 3m3r s GLY 23 N -3.69 -0.41 -0.06 3.99 0.00 -0.68 -4.98 107.32 101.49 3m3r s GLY 23 Ca 0.33 1.25 0.05 0.00 0.00 0.00 0.00 44.72 46.34 3m3r s GLY 23 CO 0.16 0.47 -0.20 0.99 0.00 0.00 0.00 173.10 174.52 3m3r s ASP 24 N -2.23 2.54 -0.20 1.64 1.11 -1.26 -1.52 116.67 116.75 3m3r s ASP 24 Ca 0.05 -0.43 -0.02 0.00 0.18 0.00 0.00 52.55 52.33 3m3r s ASP 24 Cb -0.01 -0.84 0.06 0.00 1.07 0.00 0.00 42.92 43.20 3m3r s ASP 24 CO -0.07 0.17 0.02 -0.76 1.18 0.00 0.00 175.17 175.71 3m3r s LEU 25 N 0.11 1.45 -0.10 1.23 1.02 -0.13 -4.99 118.68 117.27 3m3r s LEU 25 Ca -0.08 -0.89 -0.01 0.00 0.02 0.00 0.00 54.13 53.17 3m3r s LEU 25 Cb -0.14 -0.71 -0.03 0.00 0.02 0.00 0.00 46.19 45.34 3m3r s LEU 25 CO 0.04 -0.29 -0.06 -0.69 0.02 0.00 0.00 176.35 175.37 3m3r s VAL 26 N 1.77 3.75 -0.01 -1.59 1.01 -1.26 -0.92 120.40 123.15 3m3r s VAL 26 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.52 3m3r s VAL 26 Cb -0.17 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.65 3m3r s VAL 26 CO -0.08 0.56 0.02 -0.89 0.00 0.00 0.00 175.10 174.71 3m3r s THR 27 N -0.33 -0.02 -0.20 3.92 2.01 0.66 -5.02 115.64 116.67 3m3r s THR 27 Ca 0.05 0.14 -0.02 0.00 0.31 0.00 0.00 61.69 62.16 3m3r s THR 27 Cb -0.12 -0.08 0.00 0.00 0.01 0.00 0.00 72.50 72.31 3m3r s THR 27 CO 0.02 0.07 -0.10 -0.47 -0.69 0.00 0.00 174.62 173.45 3m3r s TYR 28 N 0.73 2.89 -0.57 4.92 6.14 -1.26 0.13 117.35 130.33 3m3r s TYR 28 Ca -0.06 -1.14 -0.18 0.00 0.64 0.00 0.00 57.07 56.33 3m3r s TYR 28 Cb -0.09 -2.03 0.10 0.00 0.42 0.00 0.00 41.96 40.36 3m3r s TYR 28 CO -0.02 -0.61 0.64 0.34 0.64 0.00 0.00 175.55 176.55 3m3r s ASP 29 N 1.34 6.19 0.07 4.32 3.68 0.28 -4.95 116.67 127.59 3m3r s ASP 29 Ca 0.04 -1.42 -0.31 0.00 2.13 0.00 0.00 52.55 52.99 3m3r s ASP 29 Cb -0.14 -2.28 -0.15 0.00 -1.45 0.00 0.00 42.92 38.90 3m3r s ASP 29 CO -0.06 -1.02 1.47 0.50 0.13 0.00 0.00 175.17 176.20 3m3r h LYS 30 N 9.09 -0.90 -0.89 4.34 3.64 -1.97 0.43 116.57 130.30 3m3r h LYS 30 Ca -0.29 0.06 0.15 0.00 -1.27 0.00 0.00 60.65 59.30 3m3r h LYS 30 Cb 1.09 0.20 -0.09 0.00 -0.41 0.00 0.00 32.23 33.02 3m3r h LYS 30 CO 1.06 -0.60 0.49 0.93 -2.27 0.00 0.00 179.45 179.06 3m3r h GLU 31 N -0.94 0.69 -0.00 1.90 5.08 -1.99 -1.90 114.58 117.42 3m3r h GLU 31 Ca -0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3m3r h GLU 31 Cb 0.78 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3m3r h GLU 31 CO 0.01 0.45 -0.37 0.09 -1.00 0.00 0.00 179.01 178.20 3m3r n ASN 32 N -4.81 0.63 -3.27 1.42 3.02 -1.15 -4.98 115.26 106.12 3m3r n ASN 32 Ca 0.18 -0.43 -0.16 0.00 -0.03 0.00 0.00 54.58 54.15 3m3r n ASN 32 Cb 0.44 0.14 0.08 0.00 -0.61 0.00 0.00 39.78 39.83 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 1.43 -0.45 2.81 7.41 0.00 0.14 -4.81 105.19 111.72 3m3r n GLY 33 Ca 0.08 0.15 -0.23 0.00 0.00 0.00 0.00 46.02 46.03 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 -5.11 0.75 -0.52 1.61 -1.94 -0.77 -1.94 119.30 111.38 3m3r s MET 34 Ca 0.08 0.03 -0.20 0.00 -1.71 0.00 0.00 55.69 53.89 3m3r s MET 34 Cb -0.01 -1.02 0.06 0.00 2.01 0.00 0.00 34.83 35.87 3m3r s MET 34 CO 0.69 -0.26 0.69 -1.58 -0.01 0.00 0.00 175.02 174.55 3m3r s HIS 35 N 1.76 2.99 -0.29 -0.03 2.46 -0.49 -0.55 115.29 121.15 3m3r s HIS 35 Ca 0.02 -0.47 -0.10 0.00 0.47 0.00 0.00 55.06 54.98 3m3r s HIS 35 Cb -0.13 -3.67 -0.03 0.00 -0.13 0.00 0.00 32.58 28.63 3m3r s HIS 35 CO -0.05 -1.11 0.15 0.15 -2.47 0.00 0.00 174.74 171.41 3m3r s LYS 36 N 2.88 3.61 -0.06 2.88 1.02 0.12 -0.99 119.74 129.21 3m3r s LYS 36 Ca 0.18 -0.53 0.04 0.00 0.02 0.00 0.00 55.97 55.67 3m3r s LYS 36 Cb -0.18 -3.56 -0.00 0.00 -0.52 0.00 0.00 37.83 33.57 3m3r s LYS 36 CO 0.13 -0.29 -0.18 0.21 -0.92 0.00 0.00 175.35 174.29 3m3r s LYS 37 N 1.67 2.06 -0.13 1.68 2.36 -1.22 -0.25 119.74 125.92 3m3r s LYS 37 Ca 0.06 -0.65 0.02 0.00 -2.55 0.00 0.00 55.97 52.85 3m3r s LYS 37 Cb -0.16 -1.71 -0.00 0.00 -1.05 0.00 0.00 37.83 34.90 3m3r s LYS 37 CO 0.07 0.21 -0.19 0.08 1.55 0.00 0.00 175.35 177.07 3m3r s VAL 38 N 0.19 2.41 -0.22 4.02 1.01 -0.10 -0.36 120.40 127.35 3m3r s VAL 38 Ca -0.08 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.02 3m3r s VAL 38 Cb -0.14 -1.97 0.03 0.00 0.00 0.00 0.00 36.38 34.30 3m3r s VAL 38 CO 0.04 0.54 -0.12 0.12 0.00 0.00 0.00 175.10 175.67 3m3r s PHE 39 N 0.54 3.00 0.28 5.22 5.36 -0.06 -0.95 117.98 131.36 3m3r s PHE 39 Ca -0.12 -1.73 0.11 0.00 -0.96 0.00 0.00 56.93 54.23 3m3r s PHE 39 Cb -0.16 -1.98 -0.05 0.00 -0.34 0.00 0.00 43.02 40.49 3m3r s PHE 39 CO 0.04 -0.78 -0.11 1.52 -1.46 0.00 0.00 175.22 174.43 3m3r s TYR 40 N 1.27 2.46 -0.13 10.12 1.13 -0.57 -0.31 117.35 131.32 3m3r s TYR 40 Ca 0.00 -0.31 -0.06 0.00 -1.41 0.00 0.00 57.07 55.30 3m3r s TYR 40 Cb -0.16 -1.12 0.06 0.00 -1.10 0.00 0.00 41.96 39.64 3m3r s TYR 40 CO -0.08 0.66 0.28 -1.12 -2.51 0.00 0.00 175.55 172.79 3m3r s SER 41 N -3.59 -0.09 -0.17 -0.18 0.01 -0.09 -1.69 113.70 107.90 3m3r s SER 41 Ca 0.31 0.62 -0.15 0.00 1.31 0.00 0.00 55.95 58.04 3m3r s SER 41 Cb -0.05 0.61 -0.04 0.00 0.21 0.00 0.00 66.02 66.75 3m3r s SER 41 CO 0.17 -0.20 0.35 -0.36 0.41 0.00 0.00 173.24 173.61 3m3r s PHE 42 N 1.74 3.44 -0.34 2.43 0.40 0.85 -0.26 117.98 126.25 3m3r s PHE 42 Ca -0.05 0.64 0.01 0.00 -0.60 0.00 0.00 56.93 56.93 3m3r s PHE 42 Cb -0.11 -2.43 0.10 0.00 0.51 0.00 0.00 43.02 41.10 3m3r s PHE 42 CO -0.09 0.15 0.09 0.42 0.70 0.00 0.00 175.22 176.49 3m3r s ILE 43 N 0.75 1.50 -1.07 0.64 1.01 0.10 -2.49 121.20 121.65 3m3r s ILE 43 Ca 0.19 -1.90 -0.07 0.00 0.00 0.00 0.00 60.65 58.86 3m3r s ILE 43 Cb -0.14 -2.11 0.27 0.00 0.01 0.00 0.00 42.46 40.49 3m3r s ILE 43 CO 0.06 -0.67 1.07 -0.67 0.00 0.00 0.00 174.94 174.74 3m3r n ASP 44 N 4.47 5.30 -4.61 3.58 4.64 -1.26 -1.61 116.55 127.05 3m3r n ASP 44 Ca 0.01 -3.09 -0.43 0.00 -1.38 0.00 0.00 54.79 49.91 3m3r n ASP 44 Cb 0.41 -1.30 -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 0.75 6.75 0.17 1.67 3.68 -1.26 -4.85 116.67 123.58 3m3r s ASP 45 Ca 0.30 0.69 0.15 0.00 2.13 0.00 0.00 52.55 55.83 3m3r s ASP 45 Cb -0.08 -2.53 0.73 0.00 -1.45 0.00 0.00 42.92 39.59 3m3r s ASP 45 CO -0.08 -1.03 1.46 0.29 0.13 0.00 0.00 175.17 175.94 3m3r n LYS 46 N 7.24 0.09 -0.34 4.34 4.76 -1.26 -0.69 118.16 132.30 3m3r n LYS 46 Ca 0.11 0.50 0.11 0.00 -2.87 0.00 0.00 58.31 56.15 3m3r n LYS 46 Cb 0.48 -1.75 0.29 0.00 -1.84 0.00 0.00 35.03 32.22 3m3r n LYS 46 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3m3r n ASN 47 N -1.93 3.57 -4.54 4.39 3.02 -1.26 -4.85 115.26 113.65 3m3r n ASN 47 Ca 0.00 -2.00 -0.32 0.00 -0.03 0.00 0.00 54.58 52.23 3m3r n ASN 47 Cb 0.08 -0.44 -0.12 0.00 -0.61 0.00 0.00 39.78 38.70 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 -1.12 2.78 -0.80 3.10 2.46 0.13 -5.02 115.29 116.83 3m3r s HIS 48 Ca 0.45 -0.11 0.17 0.00 0.47 0.00 0.00 55.06 56.04 3m3r s HIS 48 Cb 0.23 -1.59 0.74 0.00 -0.13 0.00 0.00 32.58 31.83 3m3r s HIS 48 CO 0.30 0.30 1.54 0.27 -2.47 0.00 0.00 174.74 174.68 3m3r n ASN 49 N 1.79 0.25 -3.96 9.88 6.94 -1.26 -4.80 115.26 124.09 3m3r n ASN 49 Ca -0.16 0.57 -0.08 0.00 -0.02 0.00 0.00 54.58 54.88 3m3r n ASN 49 Cb 0.52 -0.62 -0.09 0.00 -2.36 0.00 0.00 39.78 37.24 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 -3.13 0.69 0.58 -3.83 1.02 -1.26 -4.68 119.74 109.14 3m3r s LYS 50 Ca 0.05 -1.00 -0.16 0.00 0.02 0.00 0.00 55.97 54.88 3m3r s LYS 50 Cb 0.09 0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 37.62 3m3r s LYS 50 CO 0.30 -0.18 1.05 0.15 -0.92 0.00 0.00 175.35 175.75 3m3r s LYS 51 N -3.55 3.39 0.03 1.68 1.02 0.94 -4.66 119.74 118.60 3m3r s LYS 51 Ca 0.03 1.17 0.04 0.00 0.02 0.00 0.00 55.97 57.23 3m3r s LYS 51 Cb 0.04 -2.05 -0.02 0.00 -0.52 0.00 0.00 37.83 35.29 3m3r s LYS 51 CO -0.09 -0.75 -0.11 -0.51 -0.92 0.00 0.00 175.35 172.97 3m3r s LEU 52 N -4.45 2.16 -0.07 3.17 1.43 -0.63 -1.38 118.68 118.90 3m3r s LEU 52 Ca 0.63 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 3m3r s LEU 52 Cb -0.15 -0.46 0.02 0.00 0.03 0.00 0.00 46.19 45.63 3m3r s LEU 52 CO 0.36 -0.01 -0.06 -0.22 0.23 0.00 0.00 176.35 176.66 3m3r s LEU 53 N -1.07 1.17 -0.24 1.79 2.96 -0.09 0.02 118.68 123.22 3m3r s LEU 53 Ca -0.01 -0.19 -0.08 0.00 -0.22 0.00 0.00 54.13 53.63 3m3r s LEU 53 Cb -0.07 -0.62 -0.03 0.00 0.50 0.00 0.00 46.19 45.97 3m3r s LEU 53 CO 0.01 -0.09 0.08 -0.69 -1.32 0.00 0.00 176.35 174.34 3m3r s VAL 54 N 1.33 4.50 -0.18 1.68 1.01 0.64 -0.77 120.40 128.61 3m3r s VAL 54 Ca -0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 3m3r s VAL 54 Cb -0.14 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 3m3r s VAL 54 CO -0.03 0.34 -0.06 -0.63 0.00 0.00 0.00 175.10 174.73 3m3r s ILE 55 N 1.47 3.50 -0.21 2.22 1.01 -0.11 -0.92 121.20 128.17 3m3r s ILE 55 Ca 0.06 -0.48 -0.02 0.00 0.00 0.00 0.00 60.65 60.22 3m3r s ILE 55 Cb -0.15 -2.55 0.01 0.00 0.01 0.00 0.00 42.46 39.78 3m3r s ILE 55 CO 0.04 0.47 -0.11 -0.13 0.00 0.00 0.00 174.94 175.21 3m3r s ARG 56 N 0.85 3.15 -0.29 2.79 0.52 0.58 -1.00 118.95 125.55 3m3r s ARG 56 Ca -0.01 -0.75 -0.16 0.00 -0.52 0.00 0.00 55.73 54.28 3m3r s ARG 56 Cb -0.15 -2.82 -0.02 0.00 0.52 0.00 0.00 34.95 32.48 3m3r s ARG 56 CO 0.01 -0.23 0.44 0.95 0.02 0.00 0.00 175.30 176.49 3m3r s THR 57 N 1.38 5.11 0.00 0.02 -4.23 0.12 -0.88 115.64 117.16 3m3r s THR 57 Ca 0.05 0.53 0.00 0.00 -1.18 0.00 0.00 61.69 61.09 3m3r s THR 57 Cb -0.14 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 69.90 3m3r s THR 57 CO -0.08 0.03 0.00 0.29 -0.54 0.00 0.00 174.62 174.33 3m3r n LYS 58 N 5.48 1.82 0.00 3.99 5.02 0.52 -2.19 118.16 132.80 3m3r n LYS 58 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 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 2.55 -1.11 3.48 0.72 0.00 -1.26 -3.39 105.19 106.18 3m3r n GLY 59 Ca 0.00 -1.30 -0.15 0.00 0.00 0.00 0.00 46.02 44.57 3m3r n GLY 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3m3r s THR 60 N 0.00 0.01 -0.30 2.61 -4.23 -0.16 -2.95 115.64 110.62 3m3r s THR 60 Ca 0.00 -0.07 -0.11 0.00 -1.18 0.00 0.00 61.69 60.33 3m3r s THR 60 Cb 0.00 -0.87 -0.03 0.00 1.34 0.00 0.00 72.50 72.94 3m3r s THR 60 CO 0.00 -0.04 0.19 -0.63 -0.54 0.00 0.00 174.62 173.61 3m3r s ILE 61 N -0.46 5.14 0.62 2.99 1.01 0.10 -1.39 121.20 129.21 3m3r s ILE 61 Ca -0.06 -0.06 -0.19 0.00 0.00 0.00 0.00 60.65 60.35 3m3r s ILE 61 Cb -0.03 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.87 3m3r s ILE 61 CO 0.05 0.14 1.12 0.00 0.00 0.00 0.00 174.94 176.25 3m3r n ALA 62 N 5.06 0.64 -0.04 9.38 0.00 -0.82 -1.31 120.51 133.42 3m3r n ALA 62 Ca -0.14 0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.18 3m3r n ALA 62 Cb 0.51 -2.21 -0.11 0.00 0.00 0.00 0.00 19.45 17.64 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 0.57 -0.01 -2.60 0.00 0.00 -0.87 -3.44 103.07 96.72 3m3r h GLY 63 Ca -0.50 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.58 3m3r h GLY 63 CO 0.52 -0.00 -0.36 -1.06 0.00 0.00 0.00 176.54 175.64 3m3r n GLN 64 N -4.74 -2.41 -2.09 4.80 6.02 -0.92 -4.20 117.38 113.83 3m3r n GLN 64 Ca -0.09 0.59 -0.42 0.00 -0.01 0.00 0.00 57.00 57.06 3m3r n GLN 64 Cb 0.36 -4.75 -0.03 0.00 1.02 0.00 0.00 30.24 26.84 3m3r n GLN 64 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3m3r s TYR 65 N -2.84 2.28 -0.15 1.08 6.14 -1.01 -4.67 117.35 118.18 3m3r s TYR 65 Ca 0.13 0.42 -0.30 0.00 0.64 0.00 0.00 57.07 57.96 3m3r s TYR 65 Cb -0.06 -3.82 0.11 0.00 0.42 0.00 0.00 41.96 38.61 3m3r s TYR 65 CO 0.16 -3.33 0.92 -0.98 0.64 0.00 0.00 175.55 172.96 3m3r s ARG 66 N 3.57 0.70 -0.36 4.97 1.70 -0.24 -4.92 118.95 124.37 3m3r s ARG 66 Ca 0.69 0.23 -0.29 0.00 -0.47 0.00 0.00 55.73 55.90 3m3r s ARG 66 Cb -0.32 0.33 -0.00 0.00 -0.57 0.00 0.00 34.95 34.39 3m3r s ARG 66 CO 0.27 -0.21 1.53 0.08 -1.08 0.00 0.00 175.30 175.89 3m3r s VAL 67 N -0.98 3.79 -0.58 4.99 1.01 -1.26 -0.80 120.40 126.58 3m3r s VAL 67 Ca -0.04 0.82 0.22 0.00 0.00 0.00 0.00 61.98 62.99 3m3r s VAL 67 Cb -0.01 -3.99 -0.21 0.00 0.00 0.00 0.00 36.38 32.17 3m3r s VAL 67 CO 0.03 -0.58 0.85 0.00 0.00 0.00 0.00 175.10 175.39 3m3r n TYR 68 N 9.04 0.12 -3.70 5.22 4.11 -0.14 -4.97 117.16 126.84 3m3r n TYR 68 Ca 0.18 0.03 -0.14 0.00 -0.00 0.00 0.00 57.90 57.98 3m3r n TYR 68 Cb 0.47 -0.32 -0.09 0.00 -0.00 0.00 0.00 39.34 39.40 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 -3.81 -0.43 -0.38 9.48 1.04 -1.19 -4.98 113.70 113.42 3m3r s SER 69 Ca 0.02 0.69 0.02 0.00 0.48 0.00 0.00 55.95 57.16 3m3r s SER 69 Cb 0.15 0.73 0.16 0.00 0.10 0.00 0.00 66.02 67.15 3m3r s SER 69 CO 0.85 -0.30 0.28 -0.70 0.98 0.00 0.00 173.24 174.35 3m3r s GLU 70 N -0.37 0.73 -1.12 4.02 2.12 -1.26 -0.86 118.70 121.95 3m3r s GLU 70 Ca -0.05 -1.74 -0.06 0.00 0.36 0.00 0.00 54.97 53.48 3m3r s GLU 70 Cb -0.03 -1.36 0.28 0.00 0.26 0.00 0.00 34.13 33.27 3m3r s GLU 70 CO 0.03 -1.30 1.46 -0.85 -0.54 0.00 0.00 175.26 174.06 3m3r n GLU 71 N 3.42 4.11 0.00 4.30 0.28 -1.16 -4.92 120.64 126.67 3m3r n GLU 71 Ca 0.21 -4.36 0.00 0.00 -0.16 0.00 0.00 57.16 52.85 3m3r n GLU 71 Cb 0.43 -2.60 0.00 0.00 1.43 0.00 0.00 31.44 30.69 3m3r n GLU 71 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3m3r n GLY 72 N 1.95 2.33 0.07 -1.84 0.00 -1.26 -4.39 105.19 102.05 3m3r n GLY 72 Ca 0.28 -2.01 0.13 0.00 0.00 0.00 0.00 46.02 44.42 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 0.45 2.88 0.78 4.61 0.00 -1.26 -3.44 120.51 124.53 3m3r n ALA 73 Ca 0.00 -0.26 0.09 0.00 0.00 0.00 0.00 53.44 53.27 3m3r n ALA 73 Cb 0.00 -1.30 0.03 0.00 0.00 0.00 0.00 19.45 18.19 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 -1.20 2.09 -3.81 0.00 5.03 -1.26 -1.03 115.26 115.08 3m3r n ASN 74 Ca 0.10 -1.54 -0.13 0.00 0.87 0.00 0.00 54.58 53.88 3m3r n ASN 74 Cb 0.31 0.27 -0.13 0.00 -1.02 0.00 0.00 39.78 39.20 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 -1.83 0.11 0.04 3.52 1.02 -1.22 0.16 119.74 121.53 3m3r s LYS 75 Ca 0.18 0.20 -0.23 0.00 0.02 0.00 0.00 55.97 56.14 3m3r s LYS 75 Cb 0.15 -0.01 0.05 0.00 -0.52 0.00 0.00 37.83 37.50 3m3r s LYS 75 CO 0.35 -0.06 0.53 0.45 -0.92 0.00 0.00 175.35 175.70 3m3r s SER 76 N 0.35 -0.45 -0.06 2.83 0.15 -0.77 -3.01 113.70 112.74 3m3r s SER 76 Ca -0.02 0.22 0.05 0.00 0.70 0.00 0.00 55.95 56.90 3m3r s SER 76 Cb -0.04 0.49 -0.01 0.00 -1.71 0.00 0.00 66.02 64.76 3m3r s SER 76 CO -0.01 -0.70 -0.23 -0.83 1.20 0.00 0.00 173.24 172.67 3m3r s GLY 77 N -1.88 1.21 -0.11 9.45 0.00 -0.04 -1.82 107.32 114.13 3m3r s GLY 77 Ca -0.06 -0.94 0.02 0.00 0.00 0.00 0.00 44.72 43.73 3m3r s GLY 77 CO -0.00 -0.51 -0.16 -2.27 0.00 0.00 0.00 173.10 170.15 3m3r s LEU 78 N -0.02 2.54 -0.15 0.66 2.96 0.22 -0.97 118.68 123.93 3m3r s LEU 78 Ca -0.06 -0.38 -0.07 0.00 -0.22 0.00 0.00 54.13 53.40 3m3r s LEU 78 Cb -0.14 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 3m3r s LEU 78 CO 0.04 0.19 0.08 0.00 -1.32 0.00 0.00 176.35 175.34 3m3r s ALA 79 N 0.21 3.54 -0.02 5.97 0.00 0.02 0.17 121.76 131.65 3m3r s ALA 79 Ca -0.10 -0.72 -0.11 0.00 0.00 0.00 0.00 51.96 51.03 3m3r s ALA 79 Cb -0.16 -1.88 0.01 0.00 0.00 0.00 0.00 23.12 21.10 3m3r s ALA 79 CO 0.06 0.37 0.23 1.67 0.00 0.00 0.00 175.76 178.09 3m3r s TRP 80 N -0.23 -0.11 -0.32 0.00 1.48 -0.97 -1.08 118.94 117.70 3m3r s TRP 80 Ca 0.09 0.19 -0.29 0.00 -1.06 0.00 0.00 56.10 55.03 3m3r s TRP 80 Cb -0.12 0.04 -0.00 0.00 -1.16 0.00 0.00 33.47 32.23 3m3r s TRP 80 CO 0.01 -0.30 1.47 -1.25 -4.06 0.00 0.00 176.95 172.82 3m3r s PRO 81 N -1.05 3.70 0.06 3.25 0.04 -1.26 -0.37 135.00 139.37 3m3r s PRO 81 Ca -0.11 1.25 0.23 0.00 0.04 0.00 0.00 61.00 62.41 3m3r s PRO 81 Cb -0.05 -4.00 0.04 0.00 0.04 0.00 0.00 34.50 30.52 3m3r s PRO 81 CO 0.02 -1.40 1.02 -1.13 0.04 0.00 0.00 177.00 175.55 3m3r n SER 82 N 8.53 0.61 -3.62 6.66 3.41 0.60 -4.74 113.62 125.08 3m3r n SER 82 Ca 0.17 -0.17 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 3m3r n SER 82 Cb 0.47 0.80 -0.07 0.00 -0.26 0.00 0.00 64.21 65.15 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 -3.21 -1.84 -0.04 7.33 0.00 -1.07 -0.64 121.76 122.29 3m3r s ALA 83 Ca 0.03 1.90 0.05 0.00 0.00 0.00 0.00 51.96 53.94 3m3r s ALA 83 Cb 0.14 -1.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 3m3r s ALA 83 CO 0.80 -0.31 -0.19 -0.06 0.00 0.00 0.00 175.76 176.00 3m3r s PHE 84 N 0.12 2.57 0.01 0.00 0.08 -0.02 -0.57 117.98 120.18 3m3r s PHE 84 Ca -0.00 -0.30 -0.00 0.00 0.12 0.00 0.00 56.93 56.75 3m3r s PHE 84 Cb -0.04 -1.59 -0.01 0.00 -0.57 0.00 0.00 43.02 40.80 3m3r s PHE 84 CO -0.00 0.07 -0.02 0.15 -0.10 0.00 0.00 175.22 175.33 3m3r s LYS 85 N -0.62 0.19 -0.05 0.44 1.02 0.85 -0.10 119.74 121.47 3m3r s LYS 85 Ca 0.09 -0.37 -0.01 0.00 0.02 0.00 0.00 55.97 55.70 3m3r s LYS 85 Cb -0.11 0.07 0.03 0.00 -0.52 0.00 0.00 37.83 37.30 3m3r s LYS 85 CO 0.00 -0.03 0.02 0.08 -0.92 0.00 0.00 175.35 174.50 3m3r s VAL 86 N -0.90 0.17 -0.01 3.17 1.01 -0.71 -0.28 120.40 122.86 3m3r s VAL 86 Ca -0.10 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.09 3m3r s VAL 86 Cb -0.06 -0.33 -0.00 0.00 0.00 0.00 0.00 36.38 35.98 3m3r s VAL 86 CO -0.01 0.19 -0.06 -1.10 0.00 0.00 0.00 175.10 174.12 3m3r s GLN 87 N 1.66 0.52 0.05 2.72 -0.21 0.63 -0.84 119.66 124.19 3m3r s GLN 87 Ca -0.01 -0.23 0.09 0.00 0.02 0.00 0.00 55.36 55.24 3m3r s GLN 87 Cb -0.13 -0.50 -0.03 0.00 1.00 0.00 0.00 33.01 33.35 3m3r s GLN 87 CO -0.03 0.14 -0.26 -0.51 -2.12 0.00 0.00 175.29 172.51 3m3r s LEU 88 N -0.14 2.21 -0.13 2.90 1.02 -0.04 -0.10 118.68 124.41 3m3r s LEU 88 Ca 0.02 -0.58 -0.07 0.00 0.02 0.00 0.00 54.13 53.52 3m3r s LEU 88 Cb -0.03 -1.30 0.05 0.00 0.02 0.00 0.00 46.19 44.93 3m3r s LEU 88 CO -0.00 0.26 0.30 -1.58 0.02 0.00 0.00 176.35 175.35 3m3r s GLN 89 N -1.29 0.28 -0.19 1.70 0.74 -0.00 -2.05 119.66 118.84 3m3r s GLN 89 Ca 0.12 0.60 -0.15 0.00 0.05 0.00 0.00 55.36 55.98 3m3r s GLN 89 Cb -0.10 -0.05 -0.04 0.00 1.10 0.00 0.00 33.01 33.91 3m3r s GLN 89 CO 0.02 -0.15 0.35 -0.51 -0.55 0.00 0.00 175.29 174.46 3m3r s LEU 90 N 1.16 4.17 0.46 3.68 1.43 0.22 -1.32 118.68 128.48 3m3r s LEU 90 Ca -0.08 0.48 -0.24 0.00 -1.03 0.00 0.00 54.13 53.26 3m3r s LEU 90 Cb -0.09 -2.45 -0.09 0.00 0.03 0.00 0.00 46.19 43.60 3m3r s LEU 90 CO -0.09 -0.02 1.19 -2.65 0.23 0.00 0.00 176.35 175.01 3m3r n PRO 91 N 4.23 1.65 -0.08 1.29 -0.02 -1.26 -4.81 135.00 135.99 3m3r n PRO 91 Ca -0.10 0.59 0.25 0.00 -2.02 0.00 0.00 63.50 62.23 3m3r n PRO 91 Cb 0.51 -2.31 0.60 0.00 -0.02 0.00 0.00 33.50 32.29 3m3r n PRO 91 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3m3r h ASP 92 N 1.69 0.00 0.57 2.55 3.32 -1.96 -0.51 116.42 122.08 3m3r h ASP 92 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3m3r h ASP 92 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3m3r h ASP 92 CO 0.58 0.00 -0.25 -0.46 -1.72 0.00 0.00 179.24 177.39 3m3r n ASN 93 N -3.48 0.42 -4.72 6.45 6.94 -1.26 -4.93 115.26 114.67 3m3r n ASN 93 Ca 0.16 -0.20 -0.42 0.00 -0.02 0.00 0.00 54.58 54.10 3m3r n ASN 93 Cb 1.10 -0.03 -0.03 0.00 -2.36 0.00 0.00 39.78 38.46 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 -2.82 4.28 0.25 -3.83 0.41 -0.20 -4.93 118.70 111.87 3m3r s GLU 94 Ca 0.18 2.19 0.13 0.00 -0.41 0.00 0.00 54.97 57.06 3m3r s GLU 94 Cb 0.19 -3.20 0.04 0.00 -1.78 0.00 0.00 34.13 29.37 3m3r s GLU 94 CO 0.58 -0.48 1.42 -0.24 -0.49 0.00 0.00 175.26 176.05 3m3r h VAL 95 N 4.09 1.05 -4.18 2.63 3.04 -1.91 -3.45 116.25 117.52 3m3r h VAL 95 Ca -0.43 -2.45 -0.53 0.00 -1.01 0.00 0.00 66.70 62.29 3m3r h VAL 95 Cb 1.21 2.49 0.14 0.00 -2.01 0.00 0.00 31.29 33.12 3m3r h VAL 95 CO 0.87 0.59 0.39 0.00 -1.01 0.00 0.00 177.57 178.41 3m3r s ALA 96 N -2.94 2.19 0.13 3.17 0.00 -1.26 -4.89 121.76 118.16 3m3r s ALA 96 Ca 0.03 0.80 0.02 0.00 0.00 0.00 0.00 51.96 52.81 3m3r s ALA 96 Cb 0.08 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 3m3r s ALA 96 CO 0.76 -1.75 -0.05 -0.65 0.00 0.00 0.00 175.76 174.07 3m3r s GLN 97 N -3.96 0.97 -0.34 0.00 -0.21 -0.70 -4.94 119.66 110.48 3m3r s GLN 97 Ca 0.72 -1.42 -0.19 0.00 0.02 0.00 0.00 55.36 54.49 3m3r s GLN 97 Cb -0.27 -0.29 -0.00 0.00 1.00 0.00 0.00 33.01 33.44 3m3r s GLN 97 CO 0.44 -0.04 0.57 0.42 -2.12 0.00 0.00 175.29 174.56 3m3r s ILE 98 N -3.59 4.97 -0.19 1.08 1.01 -0.64 -0.91 121.20 122.93 3m3r s ILE 98 Ca 0.17 0.52 0.06 0.00 0.00 0.00 0.00 60.65 61.40 3m3r s ILE 98 Cb 0.05 -3.99 -0.16 0.00 0.01 0.00 0.00 42.46 38.37 3m3r s ILE 98 CO -0.01 -0.22 -0.10 -0.24 0.00 0.00 0.00 174.94 174.37 3m3r n SER 99 N 5.84 1.89 -3.44 3.58 2.88 -0.39 -4.56 113.62 119.41 3m3r n SER 99 Ca -0.03 -0.07 -0.12 0.00 -1.33 0.00 0.00 58.87 57.31 3m3r n SER 99 Cb 0.49 0.10 -0.04 0.00 -0.75 0.00 0.00 64.21 64.01 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 -5.67 0.52 -0.19 -3.46 3.68 -1.14 -5.00 116.67 105.40 3m3r s ASP 100 Ca -0.21 -1.30 -0.30 0.00 2.13 0.00 0.00 52.55 52.87 3m3r s ASP 100 Cb 0.06 0.65 0.15 0.00 -1.45 0.00 0.00 42.92 42.33 3m3r s ASP 100 CO 0.55 -1.29 1.12 -0.72 0.13 0.00 0.00 175.17 174.96 3m3r s TYR 101 N -3.26 -0.25 -0.18 -5.34 1.13 -1.26 -1.54 117.35 106.65 3m3r s TYR 101 Ca 0.27 0.39 -0.18 0.00 -1.41 0.00 0.00 57.07 56.14 3m3r s TYR 101 Cb -0.01 0.47 0.05 0.00 -1.10 0.00 0.00 41.96 41.38 3m3r s TYR 101 CO 0.16 -0.25 0.51 -0.47 -2.51 0.00 0.00 175.55 172.99 3m3r s TYR 102 N -1.32 -0.55 0.99 -3.49 6.14 -0.17 -4.69 117.35 114.26 3m3r s TYR 102 Ca 0.03 1.31 -0.15 0.00 0.64 0.00 0.00 57.07 58.90 3m3r s TYR 102 Cb -0.01 0.19 0.19 0.00 0.42 0.00 0.00 41.96 42.76 3m3r s TYR 102 CO -0.02 -0.28 1.19 -1.25 0.64 0.00 0.00 175.55 175.82 3m3r s PRO 103 N 0.16 0.46 0.36 4.97 0.04 -1.26 -1.05 135.00 138.67 3m3r s PRO 103 Ca -0.01 -0.02 0.03 0.00 0.04 0.00 0.00 61.00 61.05 3m3r s PRO 103 Cb -0.03 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.70 3m3r s PRO 103 CO 0.01 -2.60 0.12 0.54 0.04 0.00 0.00 177.00 175.12 3m3r n ARG 104 N -3.98 0.64 -2.65 4.56 1.74 -1.26 -4.77 116.66 110.94 3m3r n ARG 104 Ca 0.11 -2.99 -0.41 0.00 -0.77 0.00 0.00 57.85 53.78 3m3r n ARG 104 Cb 0.59 1.60 -0.04 0.00 -1.02 0.00 0.00 32.46 33.59 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 -3.18 7.38 0.13 0.55 0.01 -1.26 -4.75 114.94 113.83 3m3r s ASN 105 Ca 0.17 1.86 0.07 0.00 -0.71 0.00 0.00 52.86 54.26 3m3r s ASN 105 Cb 0.01 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 39.04 3m3r s ASN 105 CO 0.12 -0.18 -0.08 -0.94 -1.51 0.00 0.00 177.10 174.52 3m3r s SER 106 N 0.27 4.44 -0.06 -1.22 1.04 -1.26 -5.07 113.70 111.83 3m3r s SER 106 Ca 0.50 -0.43 -0.30 0.00 0.48 0.00 0.00 55.95 56.20 3m3r s SER 106 Cb -0.25 -0.85 -0.05 0.00 0.10 0.00 0.00 66.02 64.98 3m3r s SER 106 CO 0.31 0.14 1.51 -0.63 0.98 0.00 0.00 173.24 175.55 3m3r s ILE 107 N -1.42 3.74 0.50 -1.02 1.01 -1.26 -5.00 121.20 117.75 3m3r s ILE 107 Ca 0.23 0.97 -0.15 0.00 0.00 0.00 0.00 60.65 61.71 3m3r s ILE 107 Cb -0.10 -3.63 -0.07 0.00 0.01 0.00 0.00 42.46 38.67 3m3r s ILE 107 CO 0.15 -0.06 0.95 -1.81 0.00 0.00 0.00 174.94 174.16 3m3r s ASP 108 N 2.66 6.58 0.30 3.58 1.11 -1.26 -5.08 116.67 124.56 3m3r s ASP 108 Ca 0.67 1.48 0.03 0.00 0.18 0.00 0.00 52.55 54.91 3m3r s ASP 108 Cb -0.31 -2.47 -0.06 0.00 1.07 0.00 0.00 42.92 41.15 3m3r s ASP 108 CO 0.26 -0.57 0.07 0.42 1.18 0.00 0.00 175.17 176.52 3m3r s THR 109 N -2.61 0.99 0.05 -1.27 -4.23 -1.26 -5.17 115.64 102.14 3m3r s THR 109 Ca 0.57 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.94 3m3r s THR 109 Cb -0.10 -2.74 0.02 0.00 1.34 0.00 0.00 72.50 71.03 3m3r s THR 109 CO 0.33 -0.01 0.32 -1.59 -0.54 0.00 0.00 174.62 173.13 3m3r s LYS 110 N -3.94 0.86 -0.08 3.99 -2.85 -1.26 -4.68 119.74 111.77 3m3r s LYS 110 Ca 0.37 -0.53 -0.01 0.00 -1.00 0.00 0.00 55.97 54.80 3m3r s LYS 110 Cb 0.08 0.37 -0.03 0.00 -2.06 0.00 0.00 37.83 36.19 3m3r s LYS 110 CO 0.15 -0.28 -0.03 -1.21 0.10 0.00 0.00 175.35 174.07 3m3r s GLU 111 N -2.74 2.94 -0.08 1.78 2.02 0.27 -4.95 118.70 117.93 3m3r s GLU 111 Ca -0.04 -0.47 0.01 0.00 0.02 0.00 0.00 54.97 54.49 3m3r s GLU 111 Cb -0.00 -2.72 0.02 0.00 0.10 0.00 0.00 34.13 31.53 3m3r s GLU 111 CO -0.04 0.65 -0.10 -0.47 0.02 0.00 0.00 175.26 175.31 3m3r s TYR 112 N -0.75 1.45 -0.14 1.61 6.14 -1.26 0.24 117.35 124.64 3m3r s TYR 112 Ca 0.11 -0.62 -0.02 0.00 0.64 0.00 0.00 57.07 57.18 3m3r s TYR 112 Cb -0.11 -1.13 -0.02 0.00 0.42 0.00 0.00 41.96 41.12 3m3r s TYR 112 CO 0.02 -0.37 -0.07 -0.06 0.64 0.00 0.00 175.55 175.70 3m3r s PHE 113 N 1.09 2.95 -0.13 4.97 0.40 0.11 -4.97 117.98 122.40 3m3r s PHE 113 Ca -0.06 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 55.87 3m3r s PHE 113 Cb -0.14 -1.91 0.02 0.00 0.51 0.00 0.00 43.02 41.49 3m3r s PHE 113 CO -0.01 -0.08 -0.16 -1.54 0.70 0.00 0.00 175.22 174.13 3m3r s SER 114 N 0.31 2.61 0.00 1.36 1.04 -1.26 -1.01 113.70 116.75 3m3r s SER 114 Ca -0.06 -0.47 0.05 0.00 0.48 0.00 0.00 55.95 55.95 3m3r s SER 114 Cb -0.15 -1.17 -0.01 0.00 0.10 0.00 0.00 66.02 64.79 3m3r s SER 114 CO 0.04 0.00 -0.15 -0.89 0.98 0.00 0.00 173.24 173.22 3m3r s THR 115 N 1.13 1.20 -0.04 2.02 2.01 0.24 -4.99 115.64 117.22 3m3r s THR 115 Ca -0.03 -0.74 0.05 0.00 0.31 0.00 0.00 61.69 61.29 3m3r s THR 115 Cb -0.14 -1.02 -0.01 0.00 0.01 0.00 0.00 72.50 71.34 3m3r s THR 115 CO -0.05 0.27 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.73 3m3r s LEU 116 N -0.54 1.99 -0.04 4.42 2.96 -1.26 -0.91 118.68 125.30 3m3r s LEU 116 Ca 0.05 -0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 53.56 3m3r s LEU 116 Cb -0.06 -1.08 0.03 0.00 0.50 0.00 0.00 46.19 45.58 3m3r s LEU 116 CO -0.00 0.21 0.08 -0.89 -1.32 0.00 0.00 176.35 174.43 3m3r s THR 117 N -0.20 -0.04 0.04 3.68 2.01 -0.35 -4.97 115.64 115.81 3m3r s THR 117 Ca 0.01 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.15 3m3r s THR 117 Cb -0.11 -0.15 -0.03 0.00 0.01 0.00 0.00 72.50 72.23 3m3r s THR 117 CO 0.01 0.06 -0.04 -0.72 -0.69 0.00 0.00 174.62 173.24 3m3r s TYR 118 N 0.83 0.46 0.13 4.92 1.13 -1.26 0.84 117.35 124.40 3m3r s TYR 118 Ca -0.07 -0.75 -0.25 0.00 -1.41 0.00 0.00 57.07 54.60 3m3r s TYR 118 Cb -0.09 -0.32 0.08 0.00 -1.10 0.00 0.00 41.96 40.53 3m3r s TYR 118 CO -0.03 -0.24 1.04 0.20 -2.51 0.00 0.00 175.55 174.01 3m3r s GLY 119 N -2.12 -0.16 0.12 5.49 0.00 0.12 -4.98 107.32 105.79 3m3r s GLY 119 Ca -0.05 0.09 0.03 0.00 0.00 0.00 0.00 44.72 44.79 3m3r s GLY 119 CO -0.04 0.81 -0.09 -1.36 0.00 0.00 0.00 173.10 172.42 3m3r s PHE 120 N -2.80 1.07 -0.22 1.90 0.08 -1.26 -1.55 117.98 115.21 3m3r s PHE 120 Ca 0.16 -0.80 -0.25 0.00 0.12 0.00 0.00 56.93 56.16 3m3r s PHE 120 Cb -0.01 -0.58 0.07 0.00 -0.57 0.00 0.00 43.02 41.93 3m3r s PHE 120 CO 0.02 -0.03 0.67 0.54 -0.10 0.00 0.00 175.22 176.33 3m3r s ASN 121 N -2.99 -0.69 0.51 1.36 4.22 -0.67 -5.01 114.94 111.68 3m3r s ASN 121 Ca 0.13 1.23 0.07 0.00 -2.14 0.00 0.00 52.86 52.14 3m3r s ASN 121 Cb 0.03 1.22 0.02 0.00 1.28 0.00 0.00 41.25 43.80 3m3r s ASN 121 CO -0.02 -0.30 0.42 -0.83 -2.04 0.00 0.00 177.10 174.33 3m3r s GLY 122 N 0.06 2.25 -0.30 0.45 0.00 -1.26 -1.43 107.32 107.10 3m3r s GLY 122 Ca -0.02 -1.55 -0.09 0.00 0.00 0.00 0.00 44.72 43.06 3m3r s GLY 122 CO 0.03 -1.86 0.91 0.21 0.00 0.00 0.00 173.10 172.39 3m3r s ASN 123 N -4.26 -0.75 -0.25 1.64 2.47 0.99 -4.90 114.94 109.87 3m3r s ASN 123 Ca 0.41 0.36 -0.08 0.00 0.42 0.00 0.00 52.86 53.97 3m3r s ASN 123 Cb -0.02 1.59 -0.03 0.00 -1.45 0.00 0.00 41.25 41.33 3m3r s ASN 123 CO 0.25 -0.14 0.08 -0.69 -3.72 0.00 0.00 177.10 172.87 3m3r s VAL 124 N 2.92 4.38 0.42 -5.21 1.01 -1.26 0.10 120.40 122.77 3m3r s VAL 124 Ca 0.09 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.00 3m3r s VAL 124 Cb -0.10 -3.05 -0.00 0.00 0.00 0.00 0.00 36.38 33.22 3m3r s VAL 124 CO -0.16 0.33 0.48 -0.89 0.00 0.00 0.00 175.10 174.86 3m3r s THR 125 N 1.61 2.83 0.00 3.92 2.01 0.26 -4.94 115.64 121.33 3m3r s THR 125 Ca 0.06 -1.16 0.00 0.00 0.31 0.00 0.00 61.69 60.90 3m3r s THR 125 Cb -0.15 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.36 3m3r s THR 125 CO 0.04 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 3m3r n GLY 126 N -1.71 1.65 3.53 4.40 0.00 -1.26 -1.55 105.19 110.26 3m3r n GLY 126 Ca 0.06 0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 3m3r n GLY 126 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3m3r s ASP 127 N 0.00 3.06 0.52 1.61 1.47 -1.04 -4.99 116.67 117.29 3m3r s ASP 127 Ca 0.00 -1.41 0.18 0.00 1.18 0.00 0.00 52.55 52.51 3m3r s ASP 127 Cb 0.00 -0.14 1.31 0.00 -0.34 0.00 0.00 42.92 43.75 3m3r s ASP 127 CO 0.00 -0.58 2.12 -2.24 0.68 0.00 0.00 175.17 175.15 3m3r h ASP 128 N 1.92 0.00 0.29 2.11 -0.00 -2.03 -0.96 116.42 117.76 3m3r h ASP 128 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.61 3m3r h ASP 128 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.58 3m3r h ASP 128 CO 0.73 0.00 0.00 0.35 -0.00 0.00 0.00 179.24 180.32 3m3r n THR 129 N -4.49 0.87 0.00 1.15 -2.24 -1.26 -4.83 114.28 103.48 3m3r n THR 129 Ca -0.00 0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 3m3r n THR 129 Cb 0.20 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 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 -0.27 1.29 3.59 3.38 0.00 -0.36 -5.08 105.19 107.73 3m3r n GLY 130 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 3m3r n GLY 130 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3m3r n LYS 131 N -1.27 0.86 -3.47 1.61 4.81 -1.24 -4.80 118.16 114.65 3m3r n LYS 131 Ca 0.00 0.33 -0.25 0.00 -0.87 0.00 0.00 58.31 57.52 3m3r n LYS 131 Cb 0.00 -2.07 -0.12 0.00 0.02 0.00 0.00 35.03 32.86 3m3r n LYS 131 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3m3r s ILE 132 N -1.53 -0.10 0.38 3.15 -1.09 -1.26 -2.50 121.20 118.25 3m3r s ILE 132 Ca 0.73 -1.04 0.05 0.00 -2.23 0.00 0.00 60.65 58.17 3m3r s ILE 132 Cb -0.43 -0.98 -0.00 0.00 -1.58 0.00 0.00 42.46 39.46 3m3r s ILE 132 CO 0.49 -0.75 0.54 -0.83 -1.23 0.00 0.00 174.94 173.17 3m3r s GLY 133 N 1.74 1.66 0.24 6.18 0.00 -0.60 -4.91 107.32 111.63 3m3r s GLY 133 Ca 0.13 -1.41 -0.08 0.00 0.00 0.00 0.00 44.72 43.37 3m3r s GLY 133 CO -0.20 -1.28 0.35 -0.32 0.00 0.00 0.00 173.10 171.65 3m3r s GLY 134 N -4.22 0.95 -0.28 0.20 0.00 -1.26 0.93 107.32 103.64 3m3r s GLY 134 Ca 0.48 -1.24 -0.23 0.00 0.00 0.00 0.00 44.72 43.74 3m3r s GLY 134 CO 0.33 -0.94 0.91 -2.27 0.00 0.00 0.00 173.10 171.12 3m3r s LEU 135 N -3.09 -0.59 -0.03 0.66 2.96 0.29 -4.89 118.68 113.99 3m3r s LEU 135 Ca 0.29 1.08 0.01 0.00 -0.22 0.00 0.00 54.13 55.29 3m3r s LEU 135 Cb 0.02 2.06 0.02 0.00 0.50 0.00 0.00 46.19 48.80 3m3r s LEU 135 CO 0.11 -0.18 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.30 3m3r s ILE 136 N 0.59 0.39 0.01 6.68 1.01 -1.26 -0.01 121.20 128.61 3m3r s ILE 136 Ca -0.01 -0.06 -0.09 0.00 0.00 0.00 0.00 60.65 60.49 3m3r s ILE 136 Cb -0.05 -0.43 0.01 0.00 0.01 0.00 0.00 42.46 42.00 3m3r s ILE 136 CO -0.07 0.18 0.18 -0.83 0.00 0.00 0.00 174.94 174.40 3m3r s GLY 137 N 0.81 0.01 0.51 6.18 0.00 -0.51 -5.01 107.32 109.31 3m3r s GLY 137 Ca -0.10 -0.11 0.04 0.00 0.00 0.00 0.00 44.72 44.56 3m3r s GLY 137 CO -0.00 -0.27 0.24 0.00 0.00 0.00 0.00 173.10 173.07 3m3r s ALA 138 N -1.76 4.20 -0.28 3.20 0.00 -1.26 -1.67 121.76 124.19 3m3r s ALA 138 Ca -0.11 -1.10 -0.25 0.00 0.00 0.00 0.00 51.96 50.49 3m3r s ALA 138 Cb -0.05 -0.44 0.15 0.00 0.00 0.00 0.00 23.12 22.78 3m3r s ALA 138 CO 0.00 -0.27 1.20 0.54 0.00 0.00 0.00 175.76 177.24 3m3r s ASN 139 N -4.09 -0.28 0.08 0.00 2.20 -0.59 -4.94 114.94 107.32 3m3r s ASN 139 Ca 0.26 0.52 0.03 0.00 -0.94 0.00 0.00 52.86 52.73 3m3r s ASN 139 Cb -0.00 0.52 -0.03 0.00 -2.00 0.00 0.00 41.25 39.74 3m3r s ASN 139 CO 0.16 -0.10 -0.08 -0.69 -2.94 0.00 0.00 177.10 173.44 3m3r s VAL 140 N 0.04 0.75 -0.15 3.54 1.01 -1.26 -0.70 120.40 123.64 3m3r s VAL 140 Ca 0.05 -1.56 -0.13 0.00 0.00 0.00 0.00 61.98 60.34 3m3r s VAL 140 Cb -0.05 -1.23 0.04 0.00 0.00 0.00 0.00 36.38 35.14 3m3r s VAL 140 CO -0.10 -0.59 0.40 -0.44 0.00 0.00 0.00 175.10 174.37 3m3r s SER 141 N -2.35 -0.42 -0.14 3.32 0.01 0.25 -4.95 113.70 109.42 3m3r s SER 141 Ca 0.03 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.09 3m3r s SER 141 Cb -0.03 0.80 0.02 0.00 0.21 0.00 0.00 66.02 67.03 3m3r s SER 141 CO -0.01 -0.14 -0.12 -0.63 0.41 0.00 0.00 173.24 172.75 3m3r s ILE 142 N 0.29 1.41 0.02 1.44 1.01 -1.26 -1.21 121.20 122.89 3m3r s ILE 142 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.11 3m3r s ILE 142 Cb -0.03 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 3m3r s ILE 142 CO -0.00 0.42 -0.04 -0.83 0.00 0.00 0.00 174.94 174.49 3m3r s GLY 143 N 1.55 0.26 -0.11 6.18 0.00 -0.09 -5.00 107.32 110.11 3m3r s GLY 143 Ca 0.05 -0.52 -0.10 0.00 0.00 0.00 0.00 44.72 44.15 3m3r s GLY 143 CO -0.10 -0.57 0.29 -2.38 0.00 0.00 0.00 173.10 170.34 3m3r s HIS 144 N -1.17 -0.32 0.03 1.90 -3.43 -1.26 0.83 115.29 111.87 3m3r s HIS 144 Ca -0.12 0.78 0.07 0.00 -0.80 0.00 0.00 55.06 54.99 3m3r s HIS 144 Cb -0.08 0.11 -0.02 0.00 -1.43 0.00 0.00 32.58 31.15 3m3r s HIS 144 CO -0.01 -0.16 -0.19 -0.08 -2.00 0.00 0.00 174.74 172.30 3m3r s THR 145 N 0.24 1.53 -0.16 -5.38 -1.32 -0.18 -4.96 115.64 105.41 3m3r s THR 145 Ca -0.01 -1.10 -0.05 0.00 -1.21 0.00 0.00 61.69 59.31 3m3r s THR 145 Cb -0.03 -1.33 -0.03 0.00 -1.51 0.00 0.00 72.50 69.60 3m3r s THR 145 CO -0.00 0.20 0.02 -0.22 -2.21 0.00 0.00 174.62 172.40 3m3r s LEU 146 N -1.07 3.58 -0.08 9.08 2.96 -1.26 -0.71 118.68 131.18 3m3r s LEU 146 Ca 0.06 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 3m3r s LEU 146 Cb -0.08 -1.88 0.02 0.00 0.50 0.00 0.00 46.19 44.74 3m3r s LEU 146 CO 0.01 0.20 -0.09 -0.75 -1.32 0.00 0.00 176.35 174.40 3m3r s LYS 147 N 0.22 1.50 0.04 1.98 2.20 0.14 -4.97 119.74 120.84 3m3r s LYS 147 Ca 0.01 -0.31 -0.19 0.00 -0.36 0.00 0.00 55.97 55.12 3m3r s LYS 147 Cb -0.13 -1.37 0.04 0.00 -1.51 0.00 0.00 37.83 34.86 3m3r s LYS 147 CO 0.01 -0.08 0.43 1.52 -0.36 0.00 0.00 175.35 176.88 3m3r s TYR 148 N 1.04 -0.30 0.05 4.03 1.13 -1.26 0.97 117.35 123.01 3m3r s TYR 148 Ca -0.08 0.29 -0.18 0.00 -1.41 0.00 0.00 57.07 55.69 3m3r s TYR 148 Cb -0.15 0.24 -0.06 0.00 -1.10 0.00 0.00 41.96 40.89 3m3r s TYR 148 CO -0.01 -0.58 0.53 0.08 -2.51 0.00 0.00 175.55 173.07 3m3r s VAL 149 N -2.41 4.81 -0.22 -3.49 1.01 -1.26 -5.07 120.40 113.77 3m3r s VAL 149 Ca -0.06 1.13 -0.01 0.00 0.00 0.00 0.00 61.98 63.05 3m3r s VAL 149 Cb -0.01 -3.86 0.06 0.00 0.00 0.00 0.00 36.38 32.57 3m3r s VAL 149 CO -0.02 0.55 -0.02 -1.10 0.00 0.00 0.00 175.10 174.52 3m3r s GLN 150 N -1.04 1.26 0.54 2.72 -0.21 -1.26 -5.06 119.66 116.61 3m3r s GLN 150 Ca 0.28 -0.80 -0.18 0.00 0.02 0.00 0.00 55.36 54.67 3m3r s GLN 150 Cb -0.19 -2.41 -0.06 0.00 1.00 0.00 0.00 33.01 31.35 3m3r s GLN 150 CO 0.18 -0.63 1.07 -1.25 -2.12 0.00 0.00 175.29 172.54 3m3r s PRO 151 N 1.56 3.47 0.25 2.91 0.04 -1.26 -4.93 135.00 137.04 3m3r s PRO 151 Ca -0.04 1.39 -0.05 0.00 0.04 0.00 0.00 61.00 62.34 3m3r s PRO 151 Cb -0.18 -2.04 0.27 0.00 0.04 0.00 0.00 34.50 32.59 3m3r s PRO 151 CO -0.07 -0.71 1.88 -0.44 0.04 0.00 0.00 177.00 177.70 3m3r h ASP 152 N 1.05 1.07 -4.31 6.66 3.45 -1.96 -3.38 116.42 119.00 3m3r h ASP 152 Ca -0.49 -0.09 -0.48 0.00 0.43 0.00 0.00 57.03 56.41 3m3r h ASP 152 Cb 1.23 -0.27 -0.25 0.00 -0.56 0.00 0.00 39.33 39.48 3m3r h ASP 152 CO 0.58 0.85 -0.80 -0.36 -1.57 0.00 0.00 179.24 177.93 3m3r s PHE 153 N -5.83 1.38 -0.05 4.55 0.40 -1.26 -0.45 117.98 116.72 3m3r s PHE 153 Ca -0.12 -0.37 -0.04 0.00 -0.60 0.00 0.00 56.93 55.80 3m3r s PHE 153 Cb 0.17 -0.82 -0.04 0.00 0.51 0.00 0.00 43.02 42.85 3m3r s PHE 153 CO 0.82 0.06 0.14 0.15 0.70 0.00 0.00 175.22 177.09 3m3r s LYS 154 N -1.21 3.35 -0.29 0.44 1.02 -0.04 -4.89 119.74 118.12 3m3r s LYS 154 Ca 0.03 -0.28 -0.05 0.00 0.02 0.00 0.00 55.97 55.69 3m3r s LYS 154 Cb -0.08 -3.07 0.02 0.00 -0.52 0.00 0.00 37.83 34.18 3m3r s LYS 154 CO 0.02 0.71 0.04 0.99 -0.92 0.00 0.00 175.35 176.18 3m3r s THR 155 N -1.17 3.54 -0.03 2.17 2.01 -1.26 -0.66 115.64 120.24 3m3r s THR 155 Ca 0.21 -0.94 0.07 0.00 0.31 0.00 0.00 61.69 61.35 3m3r s THR 155 Cb -0.12 -2.87 -0.02 0.00 0.01 0.00 0.00 72.50 69.50 3m3r s THR 155 CO 0.12 0.04 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.21 3m3r s ILE 156 N 1.41 1.96 -0.36 1.82 1.01 -0.34 -4.86 121.20 121.83 3m3r s ILE 156 Ca 0.00 -1.05 -0.18 0.00 0.00 0.00 0.00 60.65 59.42 3m3r s ILE 156 Cb -0.18 -1.63 -0.00 0.00 0.01 0.00 0.00 42.46 40.66 3m3r s ILE 156 CO 0.00 0.55 0.53 -0.22 0.00 0.00 0.00 174.94 175.80 3m3r s LEU 157 N -0.50 4.37 0.36 2.97 2.96 -1.26 -1.62 118.68 125.97 3m3r s LEU 157 Ca 0.07 -0.06 -0.26 0.00 -0.22 0.00 0.00 54.13 53.66 3m3r s LEU 157 Cb -0.10 -2.60 -0.09 0.00 0.50 0.00 0.00 46.19 43.89 3m3r s LEU 157 CO -0.00 -0.52 1.12 -1.61 -1.32 0.00 0.00 176.35 174.03 3m3r s GLU 158 N 2.44 4.27 -0.69 1.98 2.02 0.16 -4.79 118.70 124.09 3m3r s GLU 158 Ca 0.19 1.76 -0.33 0.00 0.02 0.00 0.00 54.97 56.61 3m3r s GLU 158 Cb -0.15 -2.81 -0.17 0.00 0.10 0.00 0.00 34.13 31.10 3m3r s GLU 158 CO 0.14 -0.11 2.45 0.43 0.02 0.00 0.00 175.26 178.19 3m3r n SER 159 N 0.39 1.10 -4.90 -0.19 7.64 -1.26 -4.32 113.62 112.07 3m3r n SER 159 Ca 0.03 0.18 -0.29 0.00 1.01 0.00 0.00 58.87 59.80 3m3r n SER 159 Cb 0.47 -1.11 0.07 0.00 -1.01 0.00 0.00 64.21 62.63 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 7.81 2.35 0.14 1.43 0.04 -1.26 -4.90 135.00 140.61 3m3r s PRO 160 Ca 1.21 0.13 0.03 0.00 0.04 0.00 0.00 61.00 62.41 3m3r s PRO 160 Cb -1.02 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 31.47 3m3r s PRO 160 CO 0.48 -1.29 0.09 0.25 0.04 0.00 0.00 177.00 176.58 3m3r n THR 161 N -3.09 0.00 1.75 1.26 -2.24 0.57 -4.97 114.28 107.56 3m3r n THR 161 Ca 0.07 -0.93 0.15 0.00 -2.27 0.00 0.00 64.05 61.07 3m3r n THR 161 Cb 0.59 0.43 0.86 0.00 -2.10 0.00 0.00 70.33 70.12 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 -2.32 0.00 -0.00 3.42 5.75 -1.26 -3.57 116.55 118.57 3m3r n ASP 162 Ca 0.02 -0.67 0.00 0.00 -0.01 0.00 0.00 54.79 54.13 3m3r n ASP 162 Cb 0.23 -0.11 -0.01 0.00 -1.03 0.00 0.00 41.12 40.21 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 -1.11 1.20 -3.96 0.11 4.76 -1.26 -1.62 118.16 116.28 3m3r n LYS 163 Ca 0.20 -0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.54 3m3r n LYS 163 Cb 0.16 -1.02 -0.10 0.00 -1.84 0.00 0.00 35.03 32.23 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 -2.04 0.42 0.01 1.97 -2.85 -1.23 0.70 119.74 116.73 3m3r s LYS 164 Ca -0.00 -0.66 -0.17 0.00 -1.00 0.00 0.00 55.97 54.14 3m3r s LYS 164 Cb 0.00 0.16 0.03 0.00 -2.06 0.00 0.00 37.83 35.96 3m3r s LYS 164 CO 0.03 -0.08 0.37 0.54 0.10 0.00 0.00 175.35 176.31 3m3r s VAL 165 N -1.90 0.06 0.00 1.79 0.11 -0.87 -0.31 120.40 119.28 3m3r s VAL 165 Ca -0.12 -0.48 -0.29 0.00 -2.93 0.00 0.00 61.98 58.17 3m3r s VAL 165 Cb -0.06 -0.83 0.10 0.00 -1.53 0.00 0.00 36.38 34.06 3m3r s VAL 165 CO -0.02 -0.26 1.01 -0.83 -3.33 0.00 0.00 175.10 171.67 3m3r s GLY 166 N -1.70 -0.37 0.03 6.54 0.00 -1.26 -0.86 107.32 109.71 3m3r s GLY 166 Ca -0.09 0.83 0.03 0.00 0.00 0.00 0.00 44.72 45.50 3m3r s GLY 166 CO 0.01 0.25 -0.10 -0.98 0.00 0.00 0.00 173.10 172.28 3m3r s TRP 167 N -2.96 0.86 -0.06 1.90 0.51 -0.02 -0.66 118.94 118.51 3m3r s TRP 167 Ca 0.09 -0.35 0.01 0.00 -2.12 0.00 0.00 56.10 53.73 3m3r s TRP 167 Cb -0.00 -0.52 0.02 0.00 -0.81 0.00 0.00 33.47 32.16 3m3r s TRP 167 CO -0.05 -0.02 -0.09 -1.59 -0.51 0.00 0.00 176.95 174.70 3m3r s LYS 168 N -1.10 1.36 -0.40 4.98 -2.85 -0.64 -1.74 119.74 119.36 3m3r s LYS 168 Ca -0.03 -0.28 -0.08 0.00 -1.00 0.00 0.00 55.97 54.58 3m3r s LYS 168 Cb -0.07 -1.23 0.07 0.00 -2.06 0.00 0.00 37.83 34.54 3m3r s LYS 168 CO 0.01 -0.05 0.22 0.08 0.10 0.00 0.00 175.35 175.71 3m3r s VAL 169 N 0.91 4.11 -0.08 1.79 1.01 0.85 -1.20 120.40 127.80 3m3r s VAL 169 Ca -0.11 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 60.52 3m3r s VAL 169 Cb -0.15 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 3m3r s VAL 169 CO 0.01 -0.44 -0.05 0.27 0.00 0.00 0.00 175.10 174.88 3m3r s ILE 170 N 1.41 3.83 0.23 2.22 -4.36 0.17 -0.84 121.20 123.86 3m3r s ILE 170 Ca 0.02 -0.43 -0.32 0.00 -0.26 0.00 0.00 60.65 59.67 3m3r s ILE 170 Cb -0.22 -2.58 -0.13 0.00 1.25 0.00 0.00 42.46 40.78 3m3r s ILE 170 CO 0.02 0.60 1.48 0.33 0.24 0.00 0.00 174.94 177.61 3m3r n PHE 171 N 2.27 2.31 0.00 1.37 -0.00 0.19 -0.86 117.46 122.74 3m3r n PHE 171 Ca -0.18 0.36 0.00 0.00 -0.00 0.00 0.00 57.45 57.63 3m3r n PHE 171 Cb 0.53 -2.50 0.00 0.00 -0.00 0.00 0.00 39.48 37.51 3m3r n PHE 171 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 3m3r n ASN 172 N 2.48 0.00 -3.67 -2.13 5.15 0.40 -4.83 115.26 112.66 3m3r n ASN 172 Ca 0.12 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 54.01 3m3r n ASN 172 Cb 0.32 -0.26 -0.02 0.00 -0.53 0.00 0.00 39.78 39.29 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 -3.73 -0.39 -0.13 1.20 2.20 -1.19 -4.63 114.94 108.27 3m3r s ASN 173 Ca 0.00 -0.35 -0.16 0.00 -0.94 0.00 0.00 52.86 51.42 3m3r s ASN 173 Cb 0.00 0.66 0.04 0.00 -2.00 0.00 0.00 41.25 39.95 3m3r s ASN 173 CO 0.00 -1.17 0.42 -0.32 -2.94 0.00 0.00 177.10 173.10 3m3r s MET 174 N -3.85 0.56 0.06 3.55 1.75 -0.31 -4.34 119.30 116.72 3m3r s MET 174 Ca 0.07 0.44 -0.30 0.00 -1.25 0.00 0.00 55.69 54.64 3m3r s MET 174 Cb -0.03 0.27 -0.05 0.00 2.84 0.00 0.00 34.83 37.86 3m3r s MET 174 CO -0.02 -0.10 1.04 0.08 -0.65 0.00 0.00 175.02 175.37 3m3r s VAL 175 N -0.13 4.49 -0.40 10.11 1.01 -1.26 -1.29 120.40 132.93 3m3r s VAL 175 Ca -0.03 1.87 -0.02 0.00 0.00 0.00 0.00 61.98 63.80 3m3r s VAL 175 Cb -0.03 -4.20 0.11 0.00 0.00 0.00 0.00 36.38 32.26 3m3r s VAL 175 CO 0.02 0.19 0.19 0.21 0.00 0.00 0.00 175.10 175.71 3m3r s ASN 176 N 0.69 5.21 -1.27 3.32 3.84 -0.70 -4.74 114.94 121.29 3m3r s ASN 176 Ca 0.52 -2.02 -0.08 0.00 0.21 0.00 0.00 52.86 51.49 3m3r s ASN 176 Cb -0.24 -1.81 -0.01 0.00 -0.55 0.00 0.00 41.25 38.64 3m3r s ASN 176 CO 0.29 -0.52 0.65 0.00 -2.79 0.00 0.00 177.10 174.73 3m3r n GLN 177 N 4.57 -2.91 -0.85 0.43 6.02 -1.26 -1.85 117.38 121.52 3m3r n GLN 177 Ca -0.02 0.50 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 3m3r n GLN 177 Cb 0.41 -4.60 0.00 0.00 1.02 0.00 0.00 30.24 27.08 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 -2.90 -0.61 -4.71 1.08 5.03 -1.26 -5.00 115.26 106.89 3m3r n ASN 178 Ca -0.22 0.00 -0.25 0.00 0.87 0.00 0.00 54.58 54.98 3m3r n ASN 178 Cb 0.65 -0.98 -0.08 0.00 -1.02 0.00 0.00 39.78 38.35 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 -2.75 2.59 0.00 3.10 0.52 -0.77 -5.02 118.94 116.61 3m3r s TRP 179 Ca 0.00 -0.58 0.00 0.00 0.02 0.00 0.00 56.10 55.54 3m3r s TRP 179 Cb 0.00 -1.89 0.00 0.00 -1.15 0.00 0.00 33.47 30.43 3m3r s TRP 179 CO 0.00 0.25 0.00 0.41 0.02 0.00 0.00 176.95 177.63 3m3r n GLY 180 N -1.17 0.98 3.76 0.98 0.00 -1.26 -1.72 105.19 106.76 3m3r n GLY 180 Ca -0.02 -1.62 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 3m3r n GLY 180 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3m3r s PRO 181 N 0.00 2.50 0.24 1.61 0.02 -1.26 -5.04 135.00 133.07 3m3r s PRO 181 Ca 0.00 1.44 0.08 0.00 0.02 0.00 0.00 61.00 62.54 3m3r s PRO 181 Cb 0.00 -1.91 -0.04 0.00 0.02 0.00 0.00 34.50 32.57 3m3r s PRO 181 CO 0.00 -1.49 0.09 0.71 -0.33 0.00 0.00 177.00 175.98 3m3r s TYR 182 N -2.36 2.93 0.15 6.54 2.02 -0.41 -4.85 117.35 121.37 3m3r s TYR 182 Ca 0.68 -0.15 0.01 0.00 -0.37 0.00 0.00 57.07 57.24 3m3r s TYR 182 Cb -0.22 -1.33 -0.00 0.00 -0.40 0.00 0.00 41.96 40.00 3m3r s TYR 182 CO 0.45 0.56 0.17 -0.40 -1.57 0.00 0.00 175.55 174.75 3m3r n ASP 183 N -0.87 -0.44 0.02 2.29 3.85 -1.26 -1.17 116.55 118.97 3m3r n ASP 183 Ca -0.08 -1.89 0.03 0.00 -0.71 0.00 0.00 54.79 52.14 3m3r n ASP 183 Cb 0.58 0.91 0.14 0.00 -1.35 0.00 0.00 41.12 41.40 3m3r n ASP 183 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3m3r n ARG 184 N -0.26 0.02 0.00 0.11 1.74 -1.26 -2.17 116.66 114.84 3m3r n ARG 184 Ca 0.02 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 3m3r n ARG 184 Cb 0.26 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 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 -1.61 1.24 -4.65 0.55 8.00 -1.26 -4.89 116.55 113.92 3m3r n ASP 185 Ca 0.01 -1.25 -0.44 0.00 0.71 0.00 0.00 54.79 53.81 3m3r n ASP 185 Cb 0.04 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.13 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 -0.13 2.31 -3.73 -2.24 7.64 -0.92 -4.98 113.62 111.58 3m3r n SER 186 Ca 0.00 1.17 -0.12 0.00 1.01 0.00 0.00 58.87 60.93 3m3r n SER 186 Cb 0.07 -1.40 -0.11 0.00 -1.01 0.00 0.00 64.21 61.76 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 -0.63 -0.46 -0.10 1.43 -0.11 -1.26 -3.95 118.94 113.86 3m3r s TRP 187 Ca 0.62 1.05 0.01 0.00 1.22 0.00 0.00 56.10 59.01 3m3r s TRP 187 Cb -0.65 0.17 0.02 0.00 -1.50 0.00 0.00 33.47 31.51 3m3r s TRP 187 CO 0.56 -0.26 -0.11 1.21 -4.62 0.00 0.00 176.95 173.74 3m3r s ASN 188 N 0.84 2.17 0.43 5.86 3.84 0.12 -4.91 114.94 123.29 3m3r s ASN 188 Ca -0.05 -0.35 0.23 0.00 0.21 0.00 0.00 52.86 52.90 3m3r s ASN 188 Cb -0.06 -0.92 1.23 0.00 -0.55 0.00 0.00 41.25 40.94 3m3r s ASN 188 CO -0.06 -0.04 1.77 1.55 -2.79 0.00 0.00 177.10 177.52 3m3r h PRO 189 N 7.69 0.27 0.18 0.43 0.13 -2.01 1.61 132.00 140.30 3m3r h PRO 189 Ca -0.31 -0.02 -0.33 0.00 -0.87 0.00 0.00 66.00 64.47 3m3r h PRO 189 Cb 1.15 -0.06 0.01 0.00 0.13 0.00 0.00 31.00 32.23 3m3r h PRO 189 CO 0.46 0.18 -1.64 0.28 -0.23 0.00 0.00 178.00 177.05 3m3r h VAL 190 N 0.28 1.00 -0.01 1.56 2.07 -1.98 -3.40 116.25 115.78 3m3r h VAL 190 Ca 0.60 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.61 3m3r h VAL 190 Cb 1.75 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 34.31 3m3r h VAL 190 CO -0.24 0.82 -0.26 -1.22 0.02 0.00 0.00 177.57 176.69 3m3r n TYR 191 N -3.68 0.00 -0.77 1.57 4.02 -0.74 -4.71 117.16 112.85 3m3r n TYR 191 Ca -0.24 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.65 3m3r n TYR 191 Cb 1.04 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.36 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 0.96 1.57 3.55 2.72 0.00 0.54 0.17 105.19 114.71 3m3r n GLY 192 Ca 0.04 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.15 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 6.11 -0.10 1.61 3.84 0.20 0.16 114.94 122.76 3m3r s ASN 193 Ca 0.00 -0.26 0.12 0.00 0.21 0.00 0.00 52.86 52.93 3m3r s ASN 193 Cb 0.00 -2.16 0.51 0.00 -0.55 0.00 0.00 41.25 39.05 3m3r s ASN 193 CO 0.00 -0.25 1.35 0.00 -2.79 0.00 0.00 177.10 175.41 3m3r n GLN 194 N 5.22 3.09 -0.39 0.43 6.02 -1.26 -3.76 117.38 126.72 3m3r n GLN 194 Ca -0.11 -2.00 -0.11 0.00 -0.01 0.00 0.00 57.00 54.77 3m3r n GLN 194 Cb 0.50 -1.79 -0.10 0.00 1.02 0.00 0.00 30.24 29.87 3m3r n GLN 194 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3m3r h LEU 195 N 2.77 -2.11 -3.33 1.08 6.46 -1.92 -2.57 115.31 115.69 3m3r h LEU 195 Ca 0.00 0.32 -0.21 0.00 -0.12 0.00 0.00 57.88 57.87 3m3r h LEU 195 Cb 1.19 0.93 -0.14 0.00 -0.73 0.00 0.00 40.66 41.91 3m3r h LEU 195 CO 0.21 -0.24 -0.34 0.49 -0.62 0.00 0.00 178.44 177.94 3m3r n PHE 196 N -5.21 1.12 -2.92 1.25 3.72 -1.26 -4.82 117.46 109.34 3m3r n PHE 196 Ca 0.02 -1.76 -0.42 0.00 -0.05 0.00 0.00 57.45 55.24 3m3r n PHE 196 Cb 0.26 -0.42 -0.05 0.00 -0.94 0.00 0.00 39.48 38.34 3m3r n PHE 196 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 3m3r s MET 197 N -3.35 4.13 -0.04 -1.08 1.75 -0.97 -0.76 119.30 118.98 3m3r s MET 197 Ca 0.44 0.83 -0.22 0.00 -1.25 0.00 0.00 55.69 55.50 3m3r s MET 197 Cb 0.40 -3.67 -0.16 0.00 2.84 0.00 0.00 34.83 34.24 3m3r s MET 197 CO -0.02 -0.55 0.94 -0.22 -0.65 0.00 0.00 175.02 174.52 3m3r h LYS 198 N 7.81 -0.20 -5.31 4.11 3.64 -0.50 -3.43 116.57 122.68 3m3r h LYS 198 Ca -0.24 0.01 -0.40 0.00 -1.27 0.00 0.00 60.65 58.75 3m3r h LYS 198 Cb 1.10 0.05 -0.21 0.00 -0.41 0.00 0.00 32.23 32.75 3m3r h LYS 198 CO 0.87 0.23 -0.78 0.95 -2.27 0.00 0.00 179.45 178.46 3m3r s THR 199 N -3.60 1.10 -0.01 1.00 -4.23 -1.26 -4.98 115.64 103.66 3m3r s THR 199 Ca -0.13 -1.33 -0.05 0.00 -1.18 0.00 0.00 61.69 59.00 3m3r s THR 199 Cb 0.01 -1.09 -0.28 0.00 1.34 0.00 0.00 72.50 72.47 3m3r s THR 199 CO 0.51 -0.25 0.81 0.03 -0.54 0.00 0.00 174.62 175.18 3m3r h ARG 200 N 4.24 0.29 0.00 3.99 3.08 -1.92 -3.41 114.38 120.64 3m3r h ARG 200 Ca -0.41 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.16 3m3r h ARG 200 Cb 1.19 0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.42 3m3r h ARG 200 CO 0.41 1.16 -0.98 0.09 -1.07 0.00 0.00 179.97 179.58 3m3r n ASN 201 N -3.48 3.48 -2.19 7.04 3.02 -1.26 -1.17 115.26 120.70 3m3r n ASN 201 Ca -0.18 -0.10 -0.23 0.00 -0.03 0.00 0.00 54.58 54.04 3m3r n ASN 201 Cb 1.05 1.13 -0.01 0.00 -0.61 0.00 0.00 39.78 41.35 3m3r n ASN 201 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m3r n GLY 202 N 2.08 -1.14 2.81 7.41 0.00 -1.26 -4.88 105.19 110.22 3m3r n GLY 202 Ca -0.00 0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 3m3r n GLY 202 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3m3r n SER 203 N 1.09 4.47 -3.87 1.61 7.64 -1.26 -4.94 113.62 118.36 3m3r n SER 203 Ca 0.07 -3.32 -0.21 0.00 1.01 0.00 0.00 58.87 56.42 3m3r n SER 203 Cb 0.16 -0.94 -0.09 0.00 -1.01 0.00 0.00 64.21 62.34 3m3r n SER 203 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3m3r s MET 204 N -2.13 1.72 0.48 1.43 -1.94 -1.26 -5.12 119.30 112.47 3m3r s MET 204 Ca 0.33 -2.00 -0.24 0.00 -1.71 0.00 0.00 55.69 52.07 3m3r s MET 204 Cb 0.04 -0.13 -0.07 0.00 2.01 0.00 0.00 34.83 36.69 3m3r s MET 204 CO -0.03 -0.51 1.31 0.15 -0.01 0.00 0.00 175.02 175.92 3m3r s LYS 205 N -3.70 3.58 0.17 2.03 1.02 -1.26 -4.90 119.74 116.67 3m3r s LYS 205 Ca 0.34 2.13 -0.19 0.00 0.02 0.00 0.00 55.97 58.26 3m3r s LYS 205 Cb 0.04 -2.48 0.10 0.00 -0.52 0.00 0.00 37.83 34.97 3m3r s LYS 205 CO 0.19 -0.81 1.63 0.00 -0.92 0.00 0.00 175.35 175.44 3m3r h ALA 206 N 2.03 0.07 0.00 5.17 0.00 -1.35 0.19 119.26 125.37 3m3r h ALA 206 Ca -0.50 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3m3r h ALA 206 Cb 1.27 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3m3r h ALA 206 CO 0.60 -0.58 0.06 0.00 0.00 0.00 0.00 179.25 179.32 3m3r n ALA 207 N -2.91 0.94 -0.18 0.00 0.00 -1.26 -0.33 120.51 116.78 3m3r n ALA 207 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.52 3m3r n ALA 207 Cb 0.30 -0.86 0.17 0.00 0.00 0.00 0.00 19.45 19.06 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 -1.33 3.00 -0.92 0.00 10.43 0.66 -4.50 116.55 123.89 3m3r n ASP 208 Ca 0.00 -1.99 0.08 0.00 2.57 0.00 0.00 54.79 55.45 3m3r n ASP 208 Cb 0.06 -0.25 0.26 0.00 1.84 0.00 0.00 41.12 43.02 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 3.88 -4.85 -2.24 5.15 0.55 -4.92 115.26 113.45 3m3r n ASN 209 Ca 0.13 -2.90 -0.36 0.00 -0.60 0.00 0.00 54.58 50.85 3m3r n ASN 209 Cb 0.44 -0.52 -0.06 0.00 -0.53 0.00 0.00 39.78 39.12 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 -2.62 3.64 0.36 1.20 0.40 -1.26 0.21 117.98 119.91 3m3r s PHE 210 Ca 0.41 0.91 -0.26 0.00 -0.60 0.00 0.00 56.93 57.39 3m3r s PHE 210 Cb 0.32 -2.24 -0.12 0.00 0.51 0.00 0.00 43.02 41.48 3m3r s PHE 210 CO 0.10 0.55 1.03 -0.11 0.70 0.00 0.00 175.22 177.50 3m3r n LEU 211 N 1.24 2.32 -4.70 -0.37 7.94 0.06 -4.61 117.00 118.88 3m3r n LEU 211 Ca -0.10 1.11 -0.42 0.00 -1.11 0.00 0.00 56.01 55.49 3m3r n LEU 211 Cb 0.52 -1.34 -0.03 0.00 0.53 0.00 0.00 43.42 43.10 3m3r n LEU 211 CO 0.40 -1.35 1.23 -0.62 -1.11 0.00 0.00 177.39 175.94 3m3r s ASP 212 N -0.61 6.67 0.30 1.96 -1.08 -1.26 -4.90 116.67 117.76 3m3r s ASP 212 Ca 0.60 2.44 0.05 0.00 -0.52 0.00 0.00 52.55 55.12 3m3r s ASP 212 Cb -0.62 -2.57 0.70 0.00 -1.46 0.00 0.00 42.92 38.97 3m3r s ASP 212 CO 0.59 -0.81 1.80 1.55 0.52 0.00 0.00 175.17 178.82 3m3r h PRO 213 N 7.61 0.80 0.00 4.34 0.13 -1.93 0.20 132.00 143.15 3m3r h PRO 213 Ca -0.42 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3m3r h PRO 213 Cb 1.20 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.15 3m3r h PRO 213 CO 0.91 0.53 0.00 0.09 -0.23 0.00 0.00 178.00 179.30 3m3r n ASN 214 N -4.70 0.55 -1.02 1.44 3.02 -1.26 -0.33 115.26 112.96 3m3r n ASN 214 Ca 0.22 0.74 0.12 0.00 -0.03 0.00 0.00 54.58 55.62 3m3r n ASN 214 Cb 0.51 -0.82 0.15 0.00 -0.61 0.00 0.00 39.78 39.01 3m3r n ASN 214 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3m3r n LYS 215 N -2.23 2.34 -4.43 3.52 5.02 0.71 -4.95 118.16 118.14 3m3r n LYS 215 Ca -0.01 -2.06 -0.28 0.00 -2.02 0.00 0.00 58.31 53.94 3m3r n LYS 215 Cb 0.06 -1.47 -0.08 0.00 -0.02 0.00 0.00 35.03 33.52 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 -1.72 3.72 0.19 7.82 0.00 0.55 -4.80 121.76 127.52 3m3r s ALA 216 Ca 0.32 -1.55 -0.33 0.00 0.00 0.00 0.00 51.96 50.40 3m3r s ALA 216 Cb 0.21 -0.14 -0.14 0.00 0.00 0.00 0.00 23.12 23.05 3m3r s ALA 216 CO 0.30 -0.14 1.46 0.45 0.00 0.00 0.00 175.76 177.83 3m3r n SER 217 N -1.23 2.72 0.28 0.00 2.88 -1.26 -4.84 113.62 112.17 3m3r n SER 217 Ca -0.08 1.11 0.17 0.00 -1.33 0.00 0.00 58.87 58.75 3m3r n SER 217 Cb 0.66 -1.39 0.94 0.00 -0.75 0.00 0.00 64.21 63.67 3m3r n SER 217 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3m3r h SER 218 N 4.97 0.00 0.17 -3.46 0.02 -1.95 -1.31 113.55 112.00 3m3r h SER 218 Ca -0.45 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.43 3m3r h SER 218 Cb 1.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 3m3r h SER 218 CO 0.82 0.00 -0.27 -0.07 -1.14 0.00 0.00 176.83 176.16 3m3r h LEU 219 N 0.00 0.17 -1.31 5.07 4.07 -1.89 -2.40 115.31 119.02 3m3r h LEU 219 Ca 0.03 -0.05 0.08 0.00 0.08 0.00 0.00 57.88 58.02 3m3r h LEU 219 Cb 0.19 -0.05 -0.05 0.00 1.08 0.00 0.00 40.66 41.84 3m3r h LEU 219 CO -0.00 0.45 0.52 -0.07 -1.08 0.00 0.00 178.44 178.26 3m3r h LEU 220 N 0.16 0.72 0.00 1.67 3.38 -1.57 -3.12 115.31 116.54 3m3r h LEU 220 Ca 0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3m3r h LEU 220 Cb 0.57 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3m3r h LEU 220 CO 0.04 0.45 0.00 -1.54 0.09 0.00 0.00 178.44 177.48 3m3r n SER 221 N -4.49 0.00 0.02 -0.43 3.41 -1.13 -2.40 113.62 108.60 3m3r n SER 221 Ca 0.12 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.81 3m3r n SER 221 Cb 0.26 -0.26 0.49 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.36 -5.00 4.04 0.02 -1.65 0.12 113.55 111.44 3m3r h SER 222 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3m3r h SER 222 Cb 0.00 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.46 3m3r h SER 222 CO 0.00 0.25 0.00 0.61 -1.14 0.00 0.00 176.83 176.55 3m3r n GLY 223 N -1.50 1.96 3.63 -3.77 0.00 -1.14 -3.80 105.19 100.58 3m3r n GLY 223 Ca 0.04 -2.10 -0.34 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.93 3.07 -0.35 1.61 5.36 -0.43 -4.43 117.98 120.88 3m3r s PHE 224 Ca 0.00 0.10 -0.07 0.00 -0.96 0.00 0.00 56.93 56.00 3m3r s PHE 224 Cb 0.00 -1.77 0.04 0.00 -0.34 0.00 0.00 43.02 40.95 3m3r s PHE 224 CO 0.00 0.39 0.13 -1.12 -1.46 0.00 0.00 175.22 173.16 3m3r s SER 225 N -0.79 5.40 0.60 6.13 0.01 -1.26 0.01 113.70 123.81 3m3r s SER 225 Ca 0.12 -1.13 -0.19 0.00 1.31 0.00 0.00 55.95 56.06 3m3r s SER 225 Cb -0.11 -1.90 -0.03 0.00 0.21 0.00 0.00 66.02 64.19 3m3r s SER 225 CO 0.02 -0.35 1.24 -2.84 0.41 0.00 0.00 173.24 171.72 3m3r s PRO 226 N 1.43 2.88 -0.42 12.44 0.02 -1.15 -4.93 135.00 145.27 3m3r s PRO 226 Ca -0.01 1.92 0.08 0.00 0.02 0.00 0.00 61.00 63.01 3m3r s PRO 226 Cb -0.20 -1.93 0.30 0.00 0.02 0.00 0.00 34.50 32.69 3m3r s PRO 226 CO 0.03 -1.30 0.84 -3.47 -0.33 0.00 0.00 177.00 172.78 3m3r n ASP 227 N -1.62 -0.90 -4.65 2.53 -0.08 -1.19 -4.00 116.55 106.64 3m3r n ASP 227 Ca 0.14 -3.22 -0.31 0.00 -1.51 0.00 0.00 54.79 49.89 3m3r n ASP 227 Cb 0.49 0.59 -0.09 0.00 2.34 0.00 0.00 41.12 44.45 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 -0.84 2.93 -0.01 -0.67 2.99 -0.93 -4.71 117.98 116.74 3m3r s PHE 228 Ca 0.32 -0.04 0.06 0.00 0.00 0.00 0.00 56.93 57.27 3m3r s PHE 228 Cb 0.28 -1.55 -0.01 0.00 0.00 0.00 0.00 43.02 41.74 3m3r s PHE 228 CO -0.10 0.45 -0.18 0.00 -0.00 0.00 0.00 175.22 175.38 3m3r s ALA 229 N -1.21 1.54 -0.01 5.36 0.00 -0.22 -0.70 121.76 126.51 3m3r s ALA 229 Ca 0.23 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.38 3m3r s ALA 229 Cb -0.11 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.64 3m3r s ALA 229 CO 0.15 0.37 0.01 -0.08 0.00 0.00 0.00 175.76 176.21 3m3r s THR 230 N -0.46 0.04 -0.12 0.00 -1.32 -0.17 -1.00 115.64 112.61 3m3r s THR 230 Ca 0.07 0.08 -0.02 0.00 -1.21 0.00 0.00 61.69 60.61 3m3r s THR 230 Cb -0.07 -0.10 -0.03 0.00 -1.51 0.00 0.00 72.50 70.79 3m3r s THR 230 CO -0.01 0.07 -0.06 0.54 -2.21 0.00 0.00 174.62 172.95 3m3r s VAL 231 N 0.56 3.71 -0.10 5.08 0.11 -0.59 -0.93 120.40 128.23 3m3r s VAL 231 Ca -0.05 -0.44 0.00 0.00 -2.93 0.00 0.00 61.98 58.57 3m3r s VAL 231 Cb -0.07 -2.58 -0.02 0.00 -1.53 0.00 0.00 36.38 32.17 3m3r s VAL 231 CO -0.01 0.53 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.55 3m3r s ILE 232 N -0.01 3.29 0.16 7.04 1.01 0.05 -1.27 121.20 131.47 3m3r s ILE 232 Ca -0.00 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 60.11 3m3r s ILE 232 Cb -0.13 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 3m3r s ILE 232 CO 0.03 0.55 0.04 0.42 0.00 0.00 0.00 174.94 175.98 3m3r s THR 233 N -0.11 4.03 -0.10 2.92 -4.23 -0.09 -0.92 115.64 117.13 3m3r s THR 233 Ca -0.00 -1.24 -0.08 0.00 -1.18 0.00 0.00 61.69 59.18 3m3r s THR 233 Cb -0.13 -3.02 0.03 0.00 1.34 0.00 0.00 72.50 70.72 3m3r s THR 233 CO 0.03 -0.07 0.27 -0.32 -0.54 0.00 0.00 174.62 173.99 3m3r s MET 234 N -2.89 0.29 0.00 3.99 0.00 -0.48 -1.73 119.30 118.49 3m3r s MET 234 Ca 0.28 0.42 -0.30 0.00 0.00 0.00 0.00 55.69 56.10 3m3r s MET 234 Cb -0.10 0.09 -0.03 0.00 0.00 0.00 0.00 34.83 34.78 3m3r s MET 234 CO 0.20 -0.07 1.04 0.34 0.00 0.00 0.00 175.02 176.53 3m3r s ASP 235 N 0.43 7.29 0.59 1.11 -1.08 -1.26 -0.04 116.67 123.71 3m3r s ASP 235 Ca -0.02 1.73 0.38 0.00 -0.52 0.00 0.00 52.55 54.12 3m3r s ASP 235 Cb -0.04 -2.57 1.86 0.00 -1.46 0.00 0.00 42.92 40.71 3m3r s ASP 235 CO -0.02 -0.33 2.15 0.03 0.52 0.00 0.00 175.17 177.52 3m3r h ARG 236 N 6.85 0.00 -0.00 4.34 3.08 -1.96 -2.29 114.38 124.39 3m3r h ARG 236 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.65 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 0.78 0.00 -0.63 1.63 -1.07 0.00 0.00 179.97 180.68 3m3r n LYS 237 N -3.04 0.26 -1.62 0.04 4.76 -1.26 -4.95 118.16 112.36 3m3r n LYS 237 Ca -0.01 -0.19 -0.47 0.00 -2.87 0.00 0.00 58.31 54.77 3m3r n LYS 237 Cb 0.19 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.84 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 -1.21 0.02 -0.17 7.82 0.00 -0.86 -4.87 120.51 121.24 3m3r n ALA 238 Ca 0.06 0.44 -0.03 0.00 0.00 0.00 0.00 53.44 53.92 3m3r n ALA 238 Cb 0.35 -2.13 0.07 0.00 0.00 0.00 0.00 19.45 17.74 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 3.75 0.26 -3.61 0.00 0.87 -1.92 -3.38 113.55 109.52 3m3r h SER 239 Ca -0.44 0.05 -0.69 0.00 -1.23 0.00 0.00 61.79 59.48 3m3r h SER 239 Cb 1.31 0.02 -0.24 0.00 -0.44 0.00 0.00 62.40 63.05 3m3r h SER 239 CO 0.73 0.18 -0.54 -0.75 -0.53 0.00 0.00 176.83 175.91 3m3r s LYS 240 N -6.12 2.98 -0.24 2.24 2.20 -1.26 -4.97 119.74 114.56 3m3r s LYS 240 Ca -0.13 -0.97 0.02 0.00 -0.36 0.00 0.00 55.97 54.53 3m3r s LYS 240 Cb 0.15 -3.64 0.35 0.00 -1.51 0.00 0.00 37.83 33.18 3m3r s LYS 240 CO 0.74 -0.60 1.51 1.04 -0.36 0.00 0.00 175.35 177.68 3m3r n GLN 241 N 4.97 1.67 -4.66 4.03 1.13 -1.26 -4.81 117.38 118.45 3m3r n GLN 241 Ca -0.13 -1.59 -0.23 0.00 -1.94 0.00 0.00 57.00 53.11 3m3r n GLN 241 Cb 0.47 -1.62 -0.16 0.00 0.11 0.00 0.00 30.24 29.04 3m3r n GLN 241 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3m3r s GLN 242 N -1.75 1.39 0.03 -1.09 1.11 -1.26 -1.22 119.66 116.86 3m3r s GLN 242 Ca 0.30 -0.49 0.03 0.00 0.01 0.00 0.00 55.36 55.22 3m3r s GLN 242 Cb 0.25 -1.25 -0.02 0.00 -1.01 0.00 0.00 33.01 30.98 3m3r s GLN 242 CO 0.05 0.22 -0.11 0.99 0.01 0.00 0.00 175.29 176.46 3m3r s THR 243 N 0.01 0.82 0.08 -0.19 2.01 0.14 -4.98 115.64 113.53 3m3r s THR 243 Ca -0.01 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.21 3m3r s THR 243 Cb -0.09 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 3m3r s THR 243 CO 0.01 -0.04 0.02 0.20 -0.69 0.00 0.00 174.62 174.12 3m3r s ASN 244 N -0.96 5.18 -0.17 3.53 0.02 -1.26 0.79 114.94 122.07 3m3r s ASN 244 Ca -0.01 -0.12 -0.12 0.00 -1.02 0.00 0.00 52.86 51.59 3m3r s ASN 244 Cb -0.07 -1.29 0.05 0.00 0.02 0.00 0.00 41.25 39.96 3m3r s ASN 244 CO 0.01 0.18 0.42 -0.51 0.02 0.00 0.00 177.10 177.22 3m3r s ILE 245 N -1.31 -0.01 -0.10 0.60 2.07 -0.76 -4.24 121.20 117.45 3m3r s ILE 245 Ca 0.26 0.04 -0.02 0.00 -1.41 0.00 0.00 60.65 59.52 3m3r s ILE 245 Cb -0.12 -0.61 -0.03 0.00 0.13 0.00 0.00 42.46 41.83 3m3r s ILE 245 CO 0.19 0.02 -0.01 -1.81 -1.91 0.00 0.00 174.94 171.41 3m3r s ASP 246 N 0.77 5.10 -0.07 4.50 -0.00 -0.44 -0.80 116.67 125.73 3m3r s ASP 246 Ca -0.04 0.08 0.04 0.00 -0.00 0.00 0.00 52.55 52.62 3m3r s ASP 246 Cb -0.05 -1.50 0.00 0.00 -0.00 0.00 0.00 42.92 41.37 3m3r s ASP 246 CO -0.06 0.33 -0.20 -0.69 -0.00 0.00 0.00 175.17 174.56 3m3r s VAL 247 N -0.62 1.70 -0.12 -1.27 1.01 0.27 -0.82 120.40 120.55 3m3r s VAL 247 Ca 0.10 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.27 3m3r s VAL 247 Cb -0.12 -1.48 -0.00 0.00 0.00 0.00 0.00 36.38 34.78 3m3r s VAL 247 CO 0.02 0.48 -0.20 -0.63 0.00 0.00 0.00 175.10 174.77 3m3r s ILE 248 N 0.27 2.38 -0.09 2.22 1.09 0.86 -1.07 121.20 126.86 3m3r s ILE 248 Ca -0.12 -0.90 0.01 0.00 -1.10 0.00 0.00 60.65 58.54 3m3r s ILE 248 Cb -0.15 -1.95 -0.02 0.00 -1.06 0.00 0.00 42.46 39.27 3m3r s ILE 248 CO 0.05 0.54 -0.12 -0.31 -0.10 0.00 0.00 174.94 175.01 3m3r s TYR 249 N 0.44 2.80 -0.03 3.97 4.12 -0.47 -0.27 117.35 127.92 3m3r s TYR 249 Ca -0.14 -0.34 -0.18 0.00 0.02 0.00 0.00 57.07 56.43 3m3r s TYR 249 Cb -0.17 -1.75 0.03 0.00 -1.52 0.00 0.00 41.96 38.55 3m3r s TYR 249 CO 0.06 0.03 0.38 -2.00 0.02 0.00 0.00 175.55 174.04 3m3r s GLU 250 N -0.22 0.73 -0.08 -0.62 2.12 0.61 -1.11 118.70 120.14 3m3r s GLU 250 Ca 0.01 -0.06 0.02 0.00 0.36 0.00 0.00 54.97 55.30 3m3r s GLU 250 Cb -0.13 0.33 0.01 0.00 0.26 0.00 0.00 34.13 34.60 3m3r s GLU 250 CO 0.03 -0.20 -0.13 0.50 -0.54 0.00 0.00 175.26 174.91 3m3r s ARG 251 N -1.20 1.88 -0.20 4.30 3.52 -0.20 -0.11 118.95 126.94 3m3r s ARG 251 Ca -0.12 -0.47 -0.05 0.00 -0.13 0.00 0.00 55.73 54.96 3m3r s ARG 251 Cb -0.04 -1.56 -0.02 0.00 -1.56 0.00 0.00 34.95 31.76 3m3r s ARG 251 CO 0.05 0.01 0.00 0.08 -0.81 0.00 0.00 175.30 174.64 3m3r s VAL 252 N 0.73 3.97 -0.02 7.11 1.01 0.27 -0.33 120.40 133.14 3m3r s VAL 252 Ca -0.13 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.56 3m3r s VAL 252 Cb -0.16 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 3m3r s VAL 252 CO 0.03 0.42 -0.03 -0.13 0.00 0.00 0.00 175.10 175.39 3m3r s ARG 253 N 1.04 2.73 0.14 2.72 0.52 0.26 -0.29 118.95 126.08 3m3r s ARG 253 Ca 0.02 -0.60 0.05 0.00 -0.52 0.00 0.00 55.73 54.67 3m3r s ARG 253 Cb -0.14 -2.62 -0.04 0.00 0.52 0.00 0.00 34.95 32.67 3m3r s ARG 253 CO 0.02 0.64 0.11 -0.51 0.02 0.00 0.00 175.30 175.57 3m3r s ASP 254 N -1.27 5.47 -0.39 0.23 1.11 0.50 -0.34 116.67 121.99 3m3r s ASP 254 Ca 0.16 -0.11 -0.12 0.00 0.18 0.00 0.00 52.55 52.66 3m3r s ASP 254 Cb -0.11 -1.42 0.03 0.00 1.07 0.00 0.00 42.92 42.49 3m3r s ASP 254 CO 0.06 0.10 0.24 -0.62 1.18 0.00 0.00 175.17 176.13 3m3r s ASP 255 N -2.90 5.83 -0.32 0.27 -1.08 0.03 -2.28 116.67 116.21 3m3r s ASP 255 Ca 0.30 -1.03 -0.10 0.00 -0.52 0.00 0.00 52.55 51.20 3m3r s ASP 255 Cb -0.11 -2.06 -0.01 0.00 -1.46 0.00 0.00 42.92 39.29 3m3r s ASP 255 CO 0.23 -0.42 0.18 -0.47 0.52 0.00 0.00 175.17 175.20 3m3r s TYR 256 N 1.57 3.19 -0.05 -5.34 6.14 0.13 -0.46 117.35 122.53 3m3r s TYR 256 Ca 0.03 -0.51 0.04 0.00 0.64 0.00 0.00 57.07 57.26 3m3r s TYR 256 Cb -0.20 -2.39 -0.03 0.00 0.42 0.00 0.00 41.96 39.77 3m3r s TYR 256 CO 0.07 -0.44 -0.15 -0.65 0.64 0.00 0.00 175.55 175.01 3m3r s GLN 257 N 1.63 2.48 -0.10 4.97 -0.21 0.31 0.71 119.66 129.46 3m3r s GLN 257 Ca 0.05 -0.71 0.04 0.00 0.02 0.00 0.00 55.36 54.75 3m3r s GLN 257 Cb -0.17 -2.35 0.00 0.00 1.00 0.00 0.00 33.01 31.48 3m3r s GLN 257 CO 0.07 0.61 -0.24 -0.51 -2.12 0.00 0.00 175.29 173.11 3m3r s LEU 258 N -0.70 2.09 0.04 2.90 1.43 -0.76 0.89 118.68 124.57 3m3r s LEU 258 Ca 0.11 -0.56 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 3m3r s LEU 258 Cb -0.11 -1.41 -0.02 0.00 0.03 0.00 0.00 46.19 44.68 3m3r s LEU 258 CO 0.00 0.16 -0.09 -1.38 0.23 0.00 0.00 176.35 175.27 3m3r s HIS 259 N 0.36 0.77 -0.46 0.29 -3.43 -0.84 -1.84 115.29 110.14 3m3r s HIS 259 Ca -0.18 -0.45 -0.19 0.00 -0.80 0.00 0.00 55.06 53.44 3m3r s HIS 259 Cb -0.18 -0.46 0.04 0.00 -1.43 0.00 0.00 32.58 30.55 3m3r s HIS 259 CO 0.09 -0.05 0.55 -0.46 -2.00 0.00 0.00 174.74 172.87 3m3r s TRP 260 N -1.23 3.10 0.15 0.38 -0.11 0.12 -1.27 118.94 120.09 3m3r s TRP 260 Ca -0.07 -0.41 -0.18 0.00 1.22 0.00 0.00 56.10 56.65 3m3r s TRP 260 Cb -0.09 -3.27 0.04 0.00 -1.50 0.00 0.00 33.47 28.65 3m3r s TRP 260 CO 0.01 -0.88 1.68 1.79 -4.62 0.00 0.00 176.95 174.93 3m3r h THR 261 N 5.82 0.69 0.00 5.86 1.35 -1.62 -3.46 112.91 121.54 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 1.10 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 3m3r h THR 261 CO 0.89 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.96 3m3r n SER 262 N -5.26 0.00 -0.00 5.36 7.64 -1.26 -4.94 113.62 115.16 3m3r n SER 262 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.90 3m3r n SER 262 Cb 0.18 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.36 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 -3.84 0.44 -2.24 -1.26 -5.10 114.28 102.27 3m3r n THR 263 Ca 0.00 -0.13 -0.03 0.00 -2.27 0.00 0.00 64.05 61.62 3m3r n THR 263 Cb 0.00 0.53 0.01 0.00 -2.10 0.00 0.00 70.33 68.77 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 -2.15 -0.04 0.03 3.42 6.03 -1.26 -4.91 114.94 116.06 3m3r s ASN 264 Ca -0.01 -0.59 -0.18 0.00 -1.03 0.00 0.00 52.86 51.05 3m3r s ASN 264 Cb 0.02 0.48 -0.06 0.00 -3.03 0.00 0.00 41.25 38.66 3m3r s ASN 264 CO 0.12 -0.94 0.53 0.26 -2.03 0.00 0.00 177.10 175.04 3m3r s TRP 265 N -2.42 3.75 -0.08 1.54 0.52 -0.32 -1.56 118.94 120.38 3m3r s TRP 265 Ca 0.19 1.18 0.02 0.00 0.02 0.00 0.00 56.10 57.51 3m3r s TRP 265 Cb -0.02 -2.47 0.01 0.00 -1.15 0.00 0.00 33.47 29.84 3m3r s TRP 265 CO 0.04 0.54 -0.12 0.21 0.02 0.00 0.00 176.95 177.64 3m3r s LYS 266 N -0.85 1.73 0.00 4.98 2.20 -0.39 -4.58 119.74 122.82 3m3r s LYS 266 Ca 0.28 -0.41 -0.04 0.00 -0.36 0.00 0.00 55.97 55.45 3m3r s LYS 266 Cb -0.18 -1.47 -0.04 0.00 -1.51 0.00 0.00 37.83 34.62 3m3r s LYS 266 CO 0.17 -0.02 0.21 0.20 -0.36 0.00 0.00 175.35 175.55 3m3r s GLY 267 N 0.83 2.20 0.02 5.54 0.00 0.45 -1.99 107.32 114.37 3m3r s GLY 267 Ca -0.11 -0.71 0.03 0.00 0.00 0.00 0.00 44.72 43.93 3m3r s GLY 267 CO 0.02 -0.58 -0.10 -1.59 0.00 0.00 0.00 173.10 170.86 3m3r s THR 268 N -1.33 0.73 -0.05 0.90 2.01 0.26 0.58 115.64 118.73 3m3r s THR 268 Ca 0.28 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.54 3m3r s THR 268 Cb -0.13 -0.68 0.03 0.00 0.01 0.00 0.00 72.50 71.73 3m3r s THR 268 CO 0.18 -0.03 0.02 0.21 -0.69 0.00 0.00 174.62 174.31 3m3r s ASN 269 N -0.84 1.19 -0.23 3.53 2.47 -1.26 0.12 114.94 119.91 3m3r s ASN 269 Ca -0.01 -0.02 -0.07 0.00 0.42 0.00 0.00 52.86 53.18 3m3r s ASN 269 Cb -0.06 -0.30 -0.03 0.00 -1.45 0.00 0.00 41.25 39.41 3m3r s ASN 269 CO 0.00 -0.19 0.05 -0.89 -3.72 0.00 0.00 177.10 172.35 3m3r s THR 270 N 1.80 4.22 0.49 -5.21 2.01 0.39 -4.95 115.64 114.40 3m3r s THR 270 Ca 0.01 -0.21 -0.21 0.00 0.31 0.00 0.00 61.69 61.59 3m3r s THR 270 Cb -0.12 -2.95 -0.07 0.00 0.01 0.00 0.00 72.50 69.36 3m3r s THR 270 CO -0.04 0.38 1.10 -0.54 -0.69 0.00 0.00 174.62 174.84 3m3r s LYS 271 N 1.32 3.67 -1.65 4.92 1.02 -1.26 -0.79 119.74 126.96 3m3r s LYS 271 Ca 0.05 1.58 -0.11 0.00 0.02 0.00 0.00 55.97 57.50 3m3r s LYS 271 Cb -0.15 -2.19 0.10 0.00 -0.52 0.00 0.00 37.83 35.08 3m3r s LYS 271 CO 0.03 -0.58 0.46 -0.25 -0.92 0.00 0.00 175.35 174.08 3m3r n ASP 272 N -0.87 -1.21 -0.22 2.83 10.43 -1.25 -4.86 116.55 121.41 3m3r n ASP 272 Ca 0.09 -1.14 -0.06 0.00 2.57 0.00 0.00 54.79 56.25 3m3r n ASP 272 Cb 0.50 -2.22 0.09 0.00 1.84 0.00 0.00 41.12 41.33 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 -1.49 1.05 -4.35 -1.24 3.11 -0.83 -3.45 116.57 109.37 3m3r h LYS 273 Ca -0.62 -0.25 -0.22 0.00 -2.81 0.00 0.00 60.65 56.75 3m3r h LYS 273 Cb 1.39 -0.14 -0.20 0.00 -1.00 0.00 0.00 32.23 32.28 3m3r h LYS 273 CO 0.76 0.94 -0.71 -1.58 -2.81 0.00 0.00 179.45 176.05 3m3r s TRP 274 N -5.24 0.54 -0.05 1.91 0.51 -0.56 -4.98 118.94 111.07 3m3r s TRP 274 Ca -0.11 -0.62 -0.01 0.00 -2.12 0.00 0.00 56.10 53.23 3m3r s TRP 274 Cb 0.15 -0.34 0.03 0.00 -0.81 0.00 0.00 33.47 32.49 3m3r s TRP 274 CO 0.84 -0.16 0.02 0.99 -0.51 0.00 0.00 176.95 178.13 3m3r s THR 275 N -1.96 0.17 -0.31 2.01 2.01 -1.26 0.91 115.64 117.21 3m3r s THR 275 Ca -0.07 0.21 -0.07 0.00 0.31 0.00 0.00 61.69 62.06 3m3r s THR 275 Cb -0.06 -0.34 0.02 0.00 0.01 0.00 0.00 72.50 72.13 3m3r s THR 275 CO -0.02 0.20 0.09 -1.81 -0.69 0.00 0.00 174.62 172.40 3m3r s ASP 276 N 1.75 5.21 -0.17 3.53 1.01 0.55 -4.97 116.67 123.57 3m3r s ASP 276 Ca 0.01 -0.83 -0.01 0.00 0.71 0.00 0.00 52.55 52.42 3m3r s ASP 276 Cb -0.13 -1.89 -0.01 0.00 1.01 0.00 0.00 42.92 41.91 3m3r s ASP 276 CO -0.03 -0.24 -0.10 -0.60 0.21 0.00 0.00 175.17 174.41 3m3r s ARG 277 N 1.48 3.35 -0.18 8.23 3.52 -1.26 -1.03 118.95 133.06 3m3r s ARG 277 Ca 0.01 -0.67 0.01 0.00 -0.13 0.00 0.00 55.73 54.95 3m3r s ARG 277 Cb -0.18 -2.77 0.03 0.00 -1.56 0.00 0.00 34.95 30.47 3m3r s ARG 277 CO 0.03 0.03 -0.17 0.45 -0.81 0.00 0.00 175.30 174.83 3m3r s SER 278 N 0.85 3.08 0.03 -2.12 0.15 -0.26 -5.01 113.70 110.41 3m3r s SER 278 Ca -0.03 -0.66 0.07 0.00 0.70 0.00 0.00 55.95 56.03 3m3r s SER 278 Cb -0.15 -1.36 -0.03 0.00 -1.71 0.00 0.00 66.02 62.77 3m3r s SER 278 CO 0.00 -0.04 -0.20 -0.55 1.20 0.00 0.00 173.24 173.65 3m3r s SER 279 N 1.36 3.62 0.02 5.45 0.15 -1.26 -1.36 113.70 121.67 3m3r s SER 279 Ca 0.04 -0.44 0.01 0.00 0.70 0.00 0.00 55.95 56.25 3m3r s SER 279 Cb -0.14 -0.54 -0.02 0.00 -1.71 0.00 0.00 66.02 63.62 3m3r s SER 279 CO -0.11 0.27 -0.05 -0.70 1.20 0.00 0.00 173.24 173.85 3m3r s GLU 280 N -1.25 0.37 -0.17 5.44 2.56 -0.23 -4.98 118.70 120.44 3m3r s GLU 280 Ca 0.13 -0.57 -0.02 0.00 0.00 0.00 0.00 54.97 54.52 3m3r s GLU 280 Cb -0.10 -0.09 -0.01 0.00 2.00 0.00 0.00 34.13 35.92 3m3r s GLU 280 CO 0.03 0.00 -0.09 0.50 -0.56 0.00 0.00 175.26 175.15 3m3r s ARG 281 N -1.25 3.40 0.06 4.30 3.52 -1.26 -0.56 118.95 127.16 3m3r s ARG 281 Ca -0.11 -0.65 0.05 0.00 -0.13 0.00 0.00 55.73 54.90 3m3r s ARG 281 Cb -0.08 -2.80 -0.04 0.00 -1.56 0.00 0.00 34.95 30.47 3m3r s ARG 281 CO -0.00 0.04 -0.08 0.71 -0.81 0.00 0.00 175.30 175.16 3m3r s TYR 282 N 0.82 2.82 -0.16 5.12 2.02 0.02 -4.55 117.35 123.44 3m3r s TYR 282 Ca -0.03 -0.10 -0.03 0.00 -0.37 0.00 0.00 57.07 56.54 3m3r s TYR 282 Cb -0.15 -1.51 -0.02 0.00 -0.40 0.00 0.00 41.96 39.88 3m3r s TYR 282 CO 0.01 0.41 -0.05 0.15 -1.57 0.00 0.00 175.55 174.49 3m3r s LYS 283 N -1.91 3.57 -0.22 -0.62 1.02 0.16 -1.84 119.74 119.90 3m3r s LYS 283 Ca 0.20 -0.57 -0.06 0.00 0.02 0.00 0.00 55.97 55.57 3m3r s LYS 283 Cb -0.11 -2.88 -0.02 0.00 -0.52 0.00 0.00 37.83 34.30 3m3r s LYS 283 CO 0.12 0.16 0.02 0.42 -0.92 0.00 0.00 175.35 175.15 3m3r s ILE 284 N 0.55 3.97 -0.36 2.17 1.01 0.24 -1.31 121.20 127.48 3m3r s ILE 284 Ca -0.04 -0.29 -0.04 0.00 0.00 0.00 0.00 60.65 60.28 3m3r s ILE 284 Cb -0.15 -2.83 0.07 0.00 0.01 0.00 0.00 42.46 39.57 3m3r s ILE 284 CO 0.03 0.39 0.12 -0.62 0.00 0.00 0.00 174.94 174.86 3m3r s ASP 285 N 1.34 5.17 0.48 3.58 3.68 -0.43 0.25 116.67 130.75 3m3r s ASP 285 Ca 0.04 -1.58 0.31 0.00 2.13 0.00 0.00 52.55 53.46 3m3r s ASP 285 Cb -0.15 -1.81 1.25 0.00 -1.45 0.00 0.00 42.92 40.76 3m3r s ASP 285 CO 0.01 -0.41 1.91 -0.50 0.13 0.00 0.00 175.17 176.32 3m3r h TRP 286 N 8.09 0.00 0.08 -5.34 4.06 -1.45 0.23 115.95 121.62 3m3r h TRP 286 Ca -0.18 0.00 -0.24 0.00 2.06 0.00 0.00 58.89 60.53 3m3r h TRP 286 Cb 1.06 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.21 3m3r h TRP 286 CO 0.59 0.00 -1.24 0.93 -3.56 0.00 0.00 178.44 175.16 3m3r h GLU 287 N 0.00 0.17 0.00 0.49 5.08 -1.94 -3.31 114.58 115.07 3m3r h GLU 287 Ca 0.00 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3m3r h GLU 287 Cb 0.50 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3m3r h GLU 287 CO 0.00 1.14 0.00 0.87 -1.00 0.00 0.00 179.01 180.02 3m3r h LYS 288 N -0.51 0.00 -5.76 2.33 1.57 -1.92 -3.47 116.57 108.82 3m3r h LYS 288 Ca -0.28 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.17 3m3r h LYS 288 Cb 1.59 0.00 0.15 0.00 0.08 0.00 0.00 32.23 34.04 3m3r h LYS 288 CO -0.00 0.00 -0.85 0.39 -0.57 0.00 0.00 179.45 178.42 3m3r n GLU 289 N -2.34 -3.50 -3.96 3.15 1.02 0.76 -5.02 120.64 110.75 3m3r n GLU 289 Ca 0.05 0.74 -0.09 0.00 -0.02 0.00 0.00 57.16 57.85 3m3r n GLU 289 Cb 0.43 -5.41 -0.10 0.00 -0.02 0.00 0.00 31.44 26.35 3m3r n GLU 289 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3m3r s GLU 290 N -5.19 0.58 -0.03 3.49 -1.05 -0.88 -4.89 118.70 110.73 3m3r s GLU 290 Ca 0.28 -0.85 0.05 0.00 -0.15 0.00 0.00 54.97 54.30 3m3r s GLU 290 Cb -0.06 0.22 -0.01 0.00 -0.44 0.00 0.00 34.13 33.84 3m3r s GLU 290 CO 0.77 -0.14 -0.18 1.41 0.95 0.00 0.00 175.26 178.07 3m3r s MET 291 N -2.84 1.66 0.05 -4.83 1.75 -1.26 -1.32 119.30 112.52 3m3r s MET 291 Ca -0.03 -0.66 -0.05 0.00 -1.25 0.00 0.00 55.69 53.70 3m3r s MET 291 Cb 0.00 -1.53 -0.02 0.00 2.84 0.00 0.00 34.83 36.12 3m3r s MET 291 CO -0.06 0.35 0.08 0.95 -0.65 0.00 0.00 175.02 175.69 3m3r s THR 292 N -0.26 0.16 0.00 10.11 -4.23 -0.42 -4.96 115.64 116.03 3m3r s THR 292 Ca 0.03 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 3m3r s THR 292 Cb -0.09 -1.13 0.00 0.00 1.34 0.00 0.00 72.50 72.62 3m3r s THR 292 CO 0.00 -0.71 0.00 -0.46 -0.54 0.00 0.00 174.62 172.92