#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 0.49 0.19 0.00 3.45 -1.95 0.13 116.42 118.73 3m3r h ASP 2 Ca 0.00 0.05 -0.11 0.00 0.43 0.00 0.00 57.03 57.41 3m3r h ASP 2 Cb 0.00 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 38.72 3m3r h ASP 2 CO 0.00 0.19 -0.39 0.77 -1.57 0.00 0.00 179.24 178.24 3m3r h SER 3 N 0.49 0.29 0.14 6.45 4.64 -1.93 0.04 113.55 123.66 3m3r h SER 3 Ca 0.49 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.69 3m3r h SER 3 Cb 1.11 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3m3r h SER 3 CO -0.22 0.66 -0.04 0.44 -0.87 0.00 0.00 176.83 176.80 3m3r h ASP 4 N 0.23 0.00 -0.21 4.97 3.45 -1.08 -1.89 116.42 121.88 3m3r h ASP 4 Ca 0.02 0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.37 3m3r h ASP 4 Cb 0.80 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 39.50 3m3r h ASP 4 CO 0.06 0.04 -0.29 2.30 -1.57 0.00 0.00 179.24 179.78 3m3r n ILE 5 N -3.66 2.41 -3.47 0.35 -5.35 -0.96 -4.98 119.36 103.70 3m3r n ILE 5 Ca -0.03 -3.03 -0.25 0.00 -0.27 0.00 0.00 62.75 59.17 3m3r n ILE 5 Cb 0.14 -0.31 0.01 0.00 -1.74 0.00 0.00 39.64 37.73 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 -4.38 -4.35 7.28 4.13 -0.71 -4.99 115.26 111.13 3m3r n ASN 6 Ca 0.27 -0.49 -0.32 0.00 1.68 0.00 0.00 54.58 55.73 3m3r n ASN 6 Cb 0.88 -3.57 -0.15 0.00 -1.54 0.00 0.00 39.78 35.40 3m3r n ASN 6 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3m3r s ILE 7 N -3.07 2.54 0.13 2.41 1.01 -0.04 -5.01 121.20 119.16 3m3r s ILE 7 Ca 0.46 -0.89 -0.34 0.00 0.00 0.00 0.00 60.65 59.88 3m3r s ILE 7 Cb -0.24 -1.97 -0.14 0.00 0.01 0.00 0.00 42.46 40.12 3m3r s ILE 7 CO 0.57 0.57 1.58 1.17 0.00 0.00 0.00 174.94 178.83 3m3r n LYS 8 N 2.83 2.04 -1.58 2.79 4.81 -1.26 -3.69 118.16 124.10 3m3r n LYS 8 Ca -0.17 0.74 -0.46 0.00 -0.87 0.00 0.00 58.31 57.54 3m3r n LYS 8 Cb 0.52 -2.50 -0.02 0.00 0.02 0.00 0.00 35.03 33.05 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 3.48 1.60 -0.48 3.15 -1.04 -1.26 -1.49 114.28 118.24 3m3r n THR 9 Ca 0.18 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 3m3r n THR 9 Cb 0.28 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.85 3m3r n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3m3r n GLY 10 N 1.55 1.68 0.37 3.41 0.00 -1.26 -4.90 105.19 106.05 3m3r n GLY 10 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 3m3r n GLY 10 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3m3r h THR 11 N 0.00 0.83 -0.03 2.61 2.02 -1.61 -2.25 112.91 114.47 3m3r h THR 11 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 3m3r h THR 11 Cb 0.00 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 3m3r h THR 11 CO 0.00 0.12 -0.05 0.35 0.37 0.00 0.00 175.52 176.32 3m3r n THR 12 N -4.56 0.00 -1.49 3.16 -2.24 -1.26 -4.97 114.28 102.91 3m3r n THR 12 Ca 0.17 -0.43 -0.32 0.00 -2.27 0.00 0.00 64.05 61.20 3m3r n THR 12 Cb 0.48 1.28 0.07 0.00 -2.10 0.00 0.00 70.33 70.06 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 -2.05 4.73 0.04 3.42 1.01 -0.85 -5.03 116.67 117.93 3m3r s ASP 13 Ca 0.29 1.95 -0.01 0.00 0.71 0.00 0.00 52.55 55.49 3m3r s ASP 13 Cb 0.20 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.55 3m3r s ASP 13 CO 0.33 -1.89 0.19 -0.63 0.21 0.00 0.00 175.17 173.39 3m3r s ILE 14 N -2.57 5.36 0.00 0.77 1.01 -1.26 -4.72 121.20 119.79 3m3r s ILE 14 Ca 0.65 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.97 3m3r s ILE 14 Cb -0.20 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.70 3m3r s ILE 14 CO 0.48 0.21 0.00 0.61 0.00 0.00 0.00 174.94 176.24 3m3r n GLY 15 N 0.53 1.85 3.76 6.18 0.00 -1.26 -5.12 105.19 111.13 3m3r n GLY 15 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.76 5.26 -1.53 1.61 1.04 -1.26 -3.31 113.70 113.75 3m3r s SER 16 Ca 0.00 2.35 -0.07 0.00 0.48 0.00 0.00 55.95 58.71 3m3r s SER 16 Cb 0.00 -2.60 0.06 0.00 0.10 0.00 0.00 66.02 63.59 3m3r s SER 16 CO 0.00 -1.55 0.56 0.59 0.98 0.00 0.00 173.24 173.82 3m3r n ASN 17 N -1.57 -1.53 -3.79 7.02 3.02 -1.26 -4.95 115.26 112.19 3m3r n ASN 17 Ca 0.13 -1.01 -0.14 0.00 -0.03 0.00 0.00 54.58 53.53 3m3r n ASN 17 Cb 0.50 -2.92 -0.15 0.00 -0.61 0.00 0.00 39.78 36.59 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 -3.71 -0.04 -0.29 3.41 2.01 -1.21 -4.93 115.64 110.88 3m3r s THR 18 Ca 0.30 0.16 -0.25 0.00 0.31 0.00 0.00 61.69 62.20 3m3r s THR 18 Cb -0.16 -0.08 0.00 0.00 0.01 0.00 0.00 72.50 72.28 3m3r s THR 18 CO 0.90 0.07 0.87 -0.89 -0.69 0.00 0.00 174.62 174.88 3m3r s THR 19 N 0.80 4.74 -0.13 -0.82 2.01 -1.26 -5.02 115.64 115.96 3m3r s THR 19 Ca -0.07 1.43 -0.12 0.00 0.31 0.00 0.00 61.69 63.24 3m3r s THR 19 Cb -0.09 -4.21 -0.05 0.00 0.01 0.00 0.00 72.50 68.16 3m3r s THR 19 CO -0.02 -0.26 0.27 -0.69 -0.69 0.00 0.00 174.62 173.23 3m3r s VAL 20 N 3.09 5.31 -0.19 3.82 1.01 -1.26 -4.71 120.40 127.46 3m3r s VAL 20 Ca 0.36 0.50 -0.06 0.00 0.00 0.00 0.00 61.98 62.78 3m3r s VAL 20 Cb -0.14 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 3m3r s VAL 20 CO 0.12 0.47 0.03 -0.54 0.00 0.00 0.00 175.10 175.17 3m3r s LYS 21 N -0.07 3.79 0.36 2.72 -0.14 -1.09 -4.94 119.74 120.38 3m3r s LYS 21 Ca 0.17 -0.44 0.08 0.00 -1.36 0.00 0.00 55.97 54.42 3m3r s LYS 21 Cb -0.13 -3.14 -0.07 0.00 -1.68 0.00 0.00 37.83 32.81 3m3r s LYS 21 CO 0.05 0.15 -0.06 0.95 -0.76 0.00 0.00 175.35 175.68 3m3r s THR 22 N 0.68 2.11 -0.04 2.17 -4.23 -1.26 -0.13 115.64 114.94 3m3r s THR 22 Ca 0.01 -2.13 -0.29 0.00 -1.18 0.00 0.00 61.69 58.11 3m3r s THR 22 Cb -0.14 -2.75 0.10 0.00 1.34 0.00 0.00 72.50 71.05 3m3r s THR 22 CO 0.02 -0.14 0.86 -0.83 -0.54 0.00 0.00 174.62 173.99 3m3r s GLY 23 N -3.63 -0.44 -0.04 3.99 0.00 -0.63 -4.98 107.32 101.59 3m3r s GLY 23 Ca 0.33 1.28 0.06 0.00 0.00 0.00 0.00 44.72 46.39 3m3r s GLY 23 CO 0.17 0.60 -0.23 0.99 0.00 0.00 0.00 173.10 174.62 3m3r s ASP 24 N -1.95 2.76 -0.09 1.64 1.11 -1.26 -1.08 116.67 117.81 3m3r s ASP 24 Ca 0.00 -0.44 -0.02 0.00 0.18 0.00 0.00 52.55 52.27 3m3r s ASP 24 Cb -0.01 -0.55 0.04 0.00 1.07 0.00 0.00 42.92 43.47 3m3r s ASP 24 CO -0.04 0.25 0.05 -0.76 1.18 0.00 0.00 175.17 175.85 3m3r s LEU 25 N -0.31 0.40 -0.07 1.23 1.02 -0.21 -4.99 118.68 115.75 3m3r s LEU 25 Ca 0.02 -0.18 0.03 0.00 0.02 0.00 0.00 54.13 54.02 3m3r s LEU 25 Cb -0.11 -0.28 -0.02 0.00 0.02 0.00 0.00 46.19 45.79 3m3r s LEU 25 CO 0.01 -0.26 -0.15 -0.69 0.02 0.00 0.00 176.35 175.28 3m3r s VAL 26 N 2.08 2.92 -0.03 -1.59 1.01 -1.26 -0.63 120.40 122.90 3m3r s VAL 26 Ca 0.04 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 3m3r s VAL 26 Cb -0.13 -2.15 0.03 0.00 0.00 0.00 0.00 36.38 34.12 3m3r s VAL 26 CO -0.05 0.57 0.05 -0.89 0.00 0.00 0.00 175.10 174.78 3m3r s THR 27 N -0.39 -0.08 -0.18 3.92 2.01 0.12 -5.01 115.64 116.03 3m3r s THR 27 Ca 0.04 0.26 -0.03 0.00 0.31 0.00 0.00 61.69 62.27 3m3r s THR 27 Cb -0.12 -0.12 -0.02 0.00 0.01 0.00 0.00 72.50 72.25 3m3r s THR 27 CO 0.02 0.11 -0.04 -0.47 -0.69 0.00 0.00 174.62 173.54 3m3r s TYR 28 N 1.36 2.97 -0.49 4.92 6.14 -1.26 -0.07 117.35 130.92 3m3r s TYR 28 Ca -0.06 -0.57 -0.13 0.00 0.64 0.00 0.00 57.07 56.95 3m3r s TYR 28 Cb -0.13 -2.01 0.10 0.00 0.42 0.00 0.00 41.96 40.35 3m3r s TYR 28 CO -0.03 -0.26 0.40 0.34 0.64 0.00 0.00 175.55 176.64 3m3r s ASP 29 N 0.83 5.99 0.07 4.32 3.68 -0.13 -4.96 116.67 126.46 3m3r s ASP 29 Ca -0.01 -1.63 -0.27 0.00 2.13 0.00 0.00 52.55 52.76 3m3r s ASP 29 Cb -0.15 -2.12 -0.17 0.00 -1.45 0.00 0.00 42.92 39.03 3m3r s ASP 29 CO 0.02 -0.71 1.63 0.11 0.13 0.00 0.00 175.17 176.34 3m3r h LYS 30 N 8.68 -0.36 -0.83 4.34 1.57 -1.97 0.23 116.57 128.23 3m3r h LYS 30 Ca -0.27 0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.65 3m3r h LYS 30 Cb 1.09 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 33.41 3m3r h LYS 30 CO 0.91 -0.20 0.46 1.49 -0.57 0.00 0.00 179.45 181.53 3m3r h GLU 31 N -0.43 0.70 -0.04 3.15 4.81 -1.99 -2.12 114.58 118.66 3m3r h GLU 31 Ca -0.04 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3m3r h GLU 31 Cb 0.33 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.55 3m3r h GLU 31 CO 0.06 0.46 0.00 0.09 -0.73 0.00 0.00 179.01 178.90 3m3r n ASN 32 N -4.80 2.33 -3.62 1.04 3.02 -1.16 -4.98 115.26 107.09 3m3r n ASN 32 Ca 0.15 -1.78 -0.20 0.00 -0.03 0.00 0.00 54.58 52.72 3m3r n ASN 32 Cb 0.34 -0.01 0.05 0.00 -0.61 0.00 0.00 39.78 39.55 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 1.27 -0.36 2.91 7.41 0.00 0.72 -4.79 105.19 112.34 3m3r n GLY 33 Ca 0.16 0.15 -0.27 0.00 0.00 0.00 0.00 46.02 46.06 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 -5.77 1.53 -0.33 1.61 -1.94 -0.72 -2.01 119.30 111.66 3m3r s MET 34 Ca 0.03 -0.25 -0.21 0.00 -1.71 0.00 0.00 55.69 53.55 3m3r s MET 34 Cb -0.01 -1.59 -0.00 0.00 2.01 0.00 0.00 34.83 35.24 3m3r s MET 34 CO 0.79 -0.27 0.68 -1.58 -0.01 0.00 0.00 175.02 174.64 3m3r s HIS 35 N 1.71 3.17 -0.15 -0.03 2.46 -0.46 -0.96 115.29 121.03 3m3r s HIS 35 Ca 0.05 0.54 0.01 0.00 0.47 0.00 0.00 55.06 56.13 3m3r s HIS 35 Cb -0.13 -3.14 0.00 0.00 -0.13 0.00 0.00 32.58 29.18 3m3r s HIS 35 CO -0.08 -0.58 -0.17 0.15 -2.47 0.00 0.00 174.74 171.58 3m3r s LYS 36 N 2.78 3.15 -0.05 2.88 1.02 0.90 -0.58 119.74 129.84 3m3r s LYS 36 Ca 0.27 -0.78 0.01 0.00 0.02 0.00 0.00 55.97 55.49 3m3r s LYS 36 Cb -0.14 -2.56 0.02 0.00 -0.52 0.00 0.00 37.83 34.63 3m3r s LYS 36 CO 0.14 0.01 -0.05 0.21 -0.92 0.00 0.00 175.35 174.73 3m3r s LYS 37 N 0.81 0.92 -0.15 1.68 2.36 -1.23 0.11 119.74 124.24 3m3r s LYS 37 Ca -0.06 -0.14 -0.03 0.00 -2.55 0.00 0.00 55.97 53.19 3m3r s LYS 37 Cb -0.15 -0.90 -0.03 0.00 -1.05 0.00 0.00 37.83 35.70 3m3r s LYS 37 CO -0.01 -0.07 -0.04 0.08 1.55 0.00 0.00 175.35 176.86 3m3r s VAL 38 N 0.88 3.84 -0.26 4.02 1.01 0.20 -1.05 120.40 129.05 3m3r s VAL 38 Ca -0.12 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.51 3m3r s VAL 38 Cb -0.14 -2.68 0.06 0.00 0.00 0.00 0.00 36.38 33.62 3m3r s VAL 38 CO 0.01 0.50 -0.10 0.12 0.00 0.00 0.00 175.10 175.63 3m3r s PHE 39 N 0.33 3.10 0.24 5.22 5.36 -0.46 -1.04 117.98 130.72 3m3r s PHE 39 Ca -0.04 -2.22 0.08 0.00 -0.96 0.00 0.00 56.93 53.79 3m3r s PHE 39 Cb -0.14 -1.87 -0.04 0.00 -0.34 0.00 0.00 43.02 40.63 3m3r s PHE 39 CO 0.03 -0.86 0.05 1.52 -1.46 0.00 0.00 175.22 174.50 3m3r s TYR 40 N 1.16 2.84 -0.15 10.12 1.13 -0.24 -1.17 117.35 131.04 3m3r s TYR 40 Ca -0.08 -0.17 -0.04 0.00 -1.41 0.00 0.00 57.07 55.36 3m3r s TYR 40 Cb -0.20 -1.29 0.07 0.00 -1.10 0.00 0.00 41.96 39.44 3m3r s TYR 40 CO -0.05 0.57 0.26 -1.12 -2.51 0.00 0.00 175.55 172.70 3m3r s SER 41 N -3.53 0.51 -0.18 -0.18 0.01 -0.35 -1.60 113.70 108.38 3m3r s SER 41 Ca 0.31 0.44 -0.18 0.00 1.31 0.00 0.00 55.95 57.83 3m3r s SER 41 Cb -0.08 0.66 -0.04 0.00 0.21 0.00 0.00 66.02 66.78 3m3r s SER 41 CO 0.21 -0.26 0.50 -0.36 0.41 0.00 0.00 173.24 173.74 3m3r s PHE 42 N 2.41 3.41 -0.32 2.43 0.40 0.81 -0.94 117.98 126.19 3m3r s PHE 42 Ca 0.03 0.79 0.02 0.00 -0.60 0.00 0.00 56.93 57.17 3m3r s PHE 42 Cb -0.13 -2.62 0.10 0.00 0.51 0.00 0.00 43.02 40.88 3m3r s PHE 42 CO -0.09 -0.02 0.06 0.42 0.70 0.00 0.00 175.22 176.29 3m3r s ILE 43 N 1.32 1.67 -1.01 0.64 1.01 0.12 -2.66 121.20 122.29 3m3r s ILE 43 Ca 0.24 -1.87 -0.02 0.00 0.00 0.00 0.00 60.65 59.00 3m3r s ILE 43 Cb -0.15 -2.21 0.30 0.00 0.01 0.00 0.00 42.46 40.41 3m3r s ILE 43 CO 0.10 -0.57 1.42 -0.67 0.00 0.00 0.00 174.94 175.21 3m3r n ASP 44 N 4.52 6.16 -4.59 3.58 4.64 -1.26 -1.62 116.55 127.98 3m3r n ASP 44 Ca -0.00 -3.46 -0.43 0.00 -1.38 0.00 0.00 54.79 49.53 3m3r n ASP 44 Cb 0.42 -1.17 -0.02 0.00 -1.04 0.00 0.00 41.12 39.31 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 -1.89 6.45 0.00 1.67 3.68 -1.26 -4.91 116.67 120.41 3m3r s ASP 45 Ca 0.33 0.48 0.02 0.00 2.13 0.00 0.00 52.55 55.51 3m3r s ASP 45 Cb 0.08 -2.55 0.09 0.00 -1.45 0.00 0.00 42.92 39.09 3m3r s ASP 45 CO 0.07 -1.40 0.97 0.29 0.13 0.00 0.00 175.17 175.22 3m3r n LYS 46 N 8.12 0.01 -0.16 4.34 4.76 -1.26 -0.48 118.16 133.49 3m3r n LYS 46 Ca 0.13 0.38 0.12 0.00 -2.87 0.00 0.00 58.31 56.06 3m3r n LYS 46 Cb 0.49 -1.50 0.19 0.00 -1.84 0.00 0.00 35.03 32.37 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 -1.40 3.38 -4.78 4.39 3.02 -1.26 -4.86 115.26 113.74 3m3r n ASN 47 Ca 0.01 -1.99 -0.32 0.00 -0.03 0.00 0.00 54.58 52.25 3m3r n ASN 47 Cb 0.02 -0.21 -0.07 0.00 -0.61 0.00 0.00 39.78 38.91 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 -1.54 3.26 -1.54 3.10 2.46 0.37 -5.01 115.29 116.38 3m3r s HIS 48 Ca 0.36 0.18 0.23 0.00 0.47 0.00 0.00 55.06 56.30 3m3r s HIS 48 Cb 0.22 -1.71 1.18 0.00 -0.13 0.00 0.00 32.58 32.14 3m3r s HIS 48 CO 0.31 0.54 1.73 0.27 -2.47 0.00 0.00 174.74 175.13 3m3r n ASN 49 N 1.03 0.00 -3.86 9.88 6.94 -1.26 -4.83 115.26 123.17 3m3r n ASN 49 Ca -0.12 -0.17 -0.09 0.00 -0.02 0.00 0.00 54.58 54.17 3m3r n ASN 49 Cb 0.52 -0.23 -0.06 0.00 -2.36 0.00 0.00 39.78 37.65 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 -2.46 1.11 0.48 -3.83 1.02 -1.26 -4.74 119.74 110.07 3m3r s LYS 50 Ca 0.24 -1.02 -0.19 0.00 0.02 0.00 0.00 55.97 55.02 3m3r s LYS 50 Cb 0.15 0.40 -0.09 0.00 -0.52 0.00 0.00 37.83 37.78 3m3r s LYS 50 CO 0.33 -0.41 0.99 0.15 -0.92 0.00 0.00 175.35 175.48 3m3r s LYS 51 N -3.91 3.95 0.07 1.68 1.02 -0.39 -4.65 119.74 117.51 3m3r s LYS 51 Ca 0.11 1.14 0.05 0.00 0.02 0.00 0.00 55.97 57.29 3m3r s LYS 51 Cb 0.03 -2.13 -0.03 0.00 -0.52 0.00 0.00 37.83 35.18 3m3r s LYS 51 CO -0.04 -0.28 -0.13 -0.51 -0.92 0.00 0.00 175.35 173.46 3m3r s LEU 52 N -3.65 2.29 -0.05 3.17 1.43 -0.64 -1.55 118.68 119.68 3m3r s LEU 52 Ca 0.63 -0.63 -0.00 0.00 -1.03 0.00 0.00 54.13 53.10 3m3r s LEU 52 Cb -0.12 -0.47 0.03 0.00 0.03 0.00 0.00 46.19 45.66 3m3r s LEU 52 CO 0.22 -0.10 -0.01 -0.22 0.23 0.00 0.00 176.35 176.47 3m3r s LEU 53 N -1.79 0.93 -0.22 1.79 2.96 0.59 -0.70 118.68 122.22 3m3r s LEU 53 Ca -0.02 -0.07 -0.07 0.00 -0.22 0.00 0.00 54.13 53.75 3m3r s LEU 53 Cb -0.09 -0.37 -0.03 0.00 0.50 0.00 0.00 46.19 46.20 3m3r s LEU 53 CO 0.02 -0.13 0.05 -0.69 -1.32 0.00 0.00 176.35 174.28 3m3r s VAL 54 N 1.43 4.29 -0.23 1.68 1.01 -0.12 -0.24 120.40 128.22 3m3r s VAL 54 Ca -0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 3m3r s VAL 54 Cb -0.13 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.29 3m3r s VAL 54 CO -0.03 0.38 -0.06 -0.63 0.00 0.00 0.00 175.10 174.77 3m3r s ILE 55 N 1.23 3.03 -0.26 2.22 1.01 0.66 -1.21 121.20 127.88 3m3r s ILE 55 Ca 0.04 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 59.82 3m3r s ILE 55 Cb -0.14 -2.46 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 3m3r s ILE 55 CO 0.03 0.31 0.08 -0.13 0.00 0.00 0.00 174.94 175.22 3m3r s ARG 56 N 1.39 3.61 -0.31 2.79 0.52 -0.32 -0.73 118.95 125.90 3m3r s ARG 56 Ca 0.03 -0.51 -0.14 0.00 -0.52 0.00 0.00 55.73 54.59 3m3r s ARG 56 Cb -0.15 -3.34 -0.03 0.00 0.52 0.00 0.00 34.95 31.94 3m3r s ARG 56 CO -0.05 -0.21 0.32 0.95 0.02 0.00 0.00 175.30 176.33 3m3r s THR 57 N 1.61 5.21 0.00 0.02 -4.23 0.59 -1.35 115.64 117.48 3m3r s THR 57 Ca 0.06 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.76 3m3r s THR 57 Cb -0.15 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 69.96 3m3r s THR 57 CO 0.04 0.05 0.00 0.29 -0.54 0.00 0.00 174.62 174.45 3m3r n LYS 58 N 5.28 2.20 0.00 3.99 5.02 -0.21 -2.15 118.16 132.30 3m3r n LYS 58 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 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 3.20 -0.36 3.64 0.72 0.00 -1.25 -3.55 105.19 107.58 3m3r n GLY 59 Ca 0.00 -1.65 -0.05 0.00 0.00 0.00 0.00 46.02 44.32 3m3r n GLY 59 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3m3r s THR 60 N 0.00 -0.04 -0.28 2.61 -1.32 0.25 -3.51 115.64 113.35 3m3r s THR 60 Ca 0.00 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.33 3m3r s THR 60 Cb 0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 3m3r s THR 60 CO 0.00 0.00 0.36 -0.63 -2.21 0.00 0.00 174.62 172.14 3m3r s ILE 61 N 1.57 5.18 0.55 5.08 1.01 0.74 -1.36 121.20 133.97 3m3r s ILE 61 Ca -0.09 0.49 -0.22 0.00 0.00 0.00 0.00 60.65 60.83 3m3r s ILE 61 Cb -0.05 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 3m3r s ILE 61 CO -0.18 0.13 1.36 0.00 0.00 0.00 0.00 174.94 176.26 3m3r s ALA 62 N 2.05 2.82 -0.01 9.38 0.00 -0.85 -1.11 121.76 134.04 3m3r s ALA 62 Ca 0.14 1.35 -0.22 0.00 0.00 0.00 0.00 51.96 53.23 3m3r s ALA 62 Cb -0.16 -3.57 -0.14 0.00 0.00 0.00 0.00 23.12 19.24 3m3r s ALA 62 CO 0.10 -1.39 1.01 0.78 0.00 0.00 0.00 175.76 176.26 3m3r h GLY 63 N 1.46 -0.50 -2.00 0.00 0.00 -0.61 -3.45 103.07 97.98 3m3r h GLY 63 Ca -0.51 0.18 -0.18 0.00 0.00 0.00 0.00 47.33 46.82 3m3r h GLY 63 CO 0.57 -0.18 -0.26 -1.06 0.00 0.00 0.00 176.54 175.61 3m3r n GLN 64 N -5.12 -1.78 -1.90 4.80 6.02 -0.88 -4.26 117.38 114.25 3m3r n GLN 64 Ca -0.09 0.42 -0.40 0.00 -0.01 0.00 0.00 57.00 56.92 3m3r n GLN 64 Cb 0.27 -4.29 -0.03 0.00 1.02 0.00 0.00 30.24 27.22 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 -2.72 1.56 0.01 1.08 6.14 -0.92 -4.68 117.35 117.82 3m3r s TYR 65 Ca 0.10 0.86 -0.01 0.00 0.64 0.00 0.00 57.07 58.65 3m3r s TYR 65 Cb -0.04 -3.99 -0.01 0.00 0.42 0.00 0.00 41.96 38.34 3m3r s TYR 65 CO 0.12 -2.73 0.01 1.03 0.64 0.00 0.00 175.55 174.62 3m3r s ARG 66 N 6.73 0.22 -0.70 4.97 0.52 -0.56 -4.93 118.95 125.19 3m3r s ARG 66 Ca 0.80 -0.34 -0.26 0.00 -0.52 0.00 0.00 55.73 55.42 3m3r s ARG 66 Cb -0.19 0.08 0.04 0.00 0.52 0.00 0.00 34.95 35.41 3m3r s ARG 66 CO 0.27 -0.04 1.16 0.08 0.02 0.00 0.00 175.30 176.80 3m3r s VAL 67 N -0.87 3.95 -0.11 3.52 1.01 -1.26 -0.54 120.40 126.09 3m3r s VAL 67 Ca -0.10 0.18 0.21 0.00 0.00 0.00 0.00 61.98 62.27 3m3r s VAL 67 Cb -0.06 -4.82 -0.23 0.00 0.00 0.00 0.00 36.38 31.27 3m3r s VAL 67 CO -0.00 -1.69 0.60 0.00 0.00 0.00 0.00 175.10 174.01 3m3r n TYR 68 N 8.75 0.33 -4.40 5.22 4.11 -0.79 -4.97 117.16 125.42 3m3r n TYR 68 Ca 0.01 0.10 -0.23 0.00 -0.00 0.00 0.00 57.90 57.79 3m3r n TYR 68 Cb 0.48 -0.73 -0.13 0.00 -0.00 0.00 0.00 39.34 38.96 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 -4.96 2.16 -0.46 9.48 1.04 -1.12 -4.97 113.70 114.86 3m3r s SER 69 Ca -0.06 -0.56 0.06 0.00 0.48 0.00 0.00 55.95 55.87 3m3r s SER 69 Cb 0.11 -0.14 0.20 0.00 0.10 0.00 0.00 66.02 66.29 3m3r s SER 69 CO 0.86 0.06 0.58 1.21 0.98 0.00 0.00 173.24 176.94 3m3r n GLU 70 N 1.57 0.46 -2.49 4.02 2.13 -1.26 -1.25 120.64 123.81 3m3r n GLU 70 Ca -0.19 -2.57 -0.40 0.00 0.66 0.00 0.00 57.16 54.66 3m3r n GLU 70 Cb 0.54 -1.51 -0.02 0.00 0.27 0.00 0.00 31.44 30.72 3m3r n GLU 70 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3m3r s GLU 71 N 0.28 3.61 1.10 5.31 0.41 0.16 -4.84 118.70 124.73 3m3r s GLU 71 Ca 0.32 -1.50 0.00 0.00 -0.41 0.00 0.00 54.97 53.38 3m3r s GLU 71 Cb 0.07 -5.42 0.00 0.00 -1.78 0.00 0.00 34.13 27.00 3m3r s GLU 71 CO -0.14 -2.48 0.00 0.41 -0.49 0.00 0.00 175.26 172.56 3m3r n GLY 72 N 6.05 -2.03 0.48 -1.39 0.00 -1.26 -3.14 105.19 103.91 3m3r n GLY 72 Ca 0.42 -1.41 0.14 0.00 0.00 0.00 0.00 46.02 45.18 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 0.12 2.63 0.16 4.61 0.00 -1.26 -3.98 120.51 122.79 3m3r n ALA 73 Ca 0.00 -0.45 0.03 0.00 0.00 0.00 0.00 53.44 53.01 3m3r n ALA 73 Cb 0.00 -1.14 0.03 0.00 0.00 0.00 0.00 19.45 18.34 3m3r n ALA 73 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3m3r n ASN 74 N 0.15 1.60 -3.75 0.00 5.03 -1.26 -1.76 115.26 115.27 3m3r n ASN 74 Ca 0.18 -1.35 -0.15 0.00 0.87 0.00 0.00 54.58 54.13 3m3r n ASN 74 Cb 0.37 -0.02 -0.15 0.00 -1.02 0.00 0.00 39.78 38.96 3m3r n ASN 74 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 3m3r s LYS 75 N -0.53 0.03 -0.13 3.52 2.20 -1.19 -1.29 119.74 122.35 3m3r s LYS 75 Ca 0.07 0.31 -0.21 0.00 -0.36 0.00 0.00 55.97 55.78 3m3r s LYS 75 Cb 0.05 -0.23 0.05 0.00 -1.51 0.00 0.00 37.83 36.19 3m3r s LYS 75 CO 0.07 -0.18 0.54 0.45 -0.36 0.00 0.00 175.35 175.86 3m3r s SER 76 N 1.25 -0.52 0.11 1.43 0.15 -0.88 -0.66 113.70 114.57 3m3r s SER 76 Ca -0.08 0.82 0.09 0.00 0.70 0.00 0.00 55.95 57.48 3m3r s SER 76 Cb -0.12 0.83 -0.04 0.00 -1.71 0.00 0.00 66.02 64.98 3m3r s SER 76 CO -0.05 -0.35 -0.20 -0.83 1.20 0.00 0.00 173.24 173.01 3m3r s GLY 77 N -0.39 1.64 -0.08 9.45 0.00 -0.38 -1.56 107.32 116.00 3m3r s GLY 77 Ca -0.05 -1.36 0.02 0.00 0.00 0.00 0.00 44.72 43.33 3m3r s GLY 77 CO 0.04 -1.32 -0.12 -2.27 0.00 0.00 0.00 173.10 169.42 3m3r s LEU 78 N -2.01 1.60 -0.17 0.66 2.96 0.00 -1.88 118.68 119.85 3m3r s LEU 78 Ca 0.16 -0.33 -0.16 0.00 -0.22 0.00 0.00 54.13 53.58 3m3r s LEU 78 Cb -0.10 -0.89 -0.04 0.00 0.50 0.00 0.00 46.19 45.65 3m3r s LEU 78 CO 0.08 0.01 0.40 0.00 -1.32 0.00 0.00 176.35 175.53 3m3r s ALA 79 N 0.86 3.54 0.05 5.97 0.00 0.29 -0.86 121.76 131.62 3m3r s ALA 79 Ca -0.10 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 51.45 3m3r s ALA 79 Cb -0.15 -2.60 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 3m3r s ALA 79 CO 0.01 -0.17 -0.07 1.67 0.00 0.00 0.00 175.76 177.21 3m3r s TRP 80 N 1.02 0.68 -0.39 0.00 1.48 -0.68 -1.50 118.94 119.55 3m3r s TRP 80 Ca 0.20 -0.60 -0.29 0.00 -1.06 0.00 0.00 56.10 54.36 3m3r s TRP 80 Cb -0.14 -0.41 0.01 0.00 -1.16 0.00 0.00 33.47 31.77 3m3r s TRP 80 CO 0.08 -0.11 1.39 -1.25 -4.06 0.00 0.00 176.95 172.99 3m3r s PRO 81 N -2.06 3.65 0.09 3.25 0.04 -1.26 0.48 135.00 139.18 3m3r s PRO 81 Ca -0.06 1.00 0.23 0.00 0.04 0.00 0.00 61.00 62.21 3m3r s PRO 81 Cb -0.07 -3.99 0.02 0.00 0.04 0.00 0.00 34.50 30.50 3m3r s PRO 81 CO -0.01 -1.47 0.99 -1.13 0.04 0.00 0.00 177.00 175.42 3m3r n SER 82 N 8.55 0.61 -3.56 6.66 3.41 0.16 -4.74 113.62 124.70 3m3r n SER 82 Ca 0.16 -0.02 -0.16 0.00 -0.26 0.00 0.00 58.87 58.60 3m3r n SER 82 Cb 0.48 0.79 -0.06 0.00 -0.26 0.00 0.00 64.21 65.16 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 -3.28 -1.80 -0.04 7.33 0.00 -0.97 -0.38 121.76 122.62 3m3r s ALA 83 Ca 0.01 1.56 0.06 0.00 0.00 0.00 0.00 51.96 53.59 3m3r s ALA 83 Cb 0.13 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 3m3r s ALA 83 CO 0.80 -0.35 -0.22 -0.06 0.00 0.00 0.00 175.76 175.94 3m3r s PHE 84 N -0.70 2.09 0.03 0.00 0.08 -0.32 -0.57 117.98 118.58 3m3r s PHE 84 Ca -0.06 -0.56 0.01 0.00 0.12 0.00 0.00 56.93 56.43 3m3r s PHE 84 Cb -0.02 -1.37 -0.02 0.00 -0.57 0.00 0.00 43.02 41.04 3m3r s PHE 84 CO 0.06 -0.16 -0.05 0.15 -0.10 0.00 0.00 175.22 175.12 3m3r s LYS 85 N -0.18 0.41 -0.04 0.44 1.02 -0.41 0.09 119.74 121.07 3m3r s LYS 85 Ca -0.01 -0.69 -0.00 0.00 0.02 0.00 0.00 55.97 55.29 3m3r s LYS 85 Cb -0.12 -0.05 0.03 0.00 -0.52 0.00 0.00 37.83 37.17 3m3r s LYS 85 CO 0.02 -0.01 0.01 0.08 -0.92 0.00 0.00 175.35 174.52 3m3r s VAL 86 N -1.50 0.20 0.02 3.17 1.01 -0.80 -0.58 120.40 121.91 3m3r s VAL 86 Ca -0.13 0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3m3r s VAL 86 Cb -0.09 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.95 3m3r s VAL 86 CO -0.01 0.17 -0.05 -1.10 0.00 0.00 0.00 175.10 174.11 3m3r s GLN 87 N 1.32 0.39 -0.00 2.72 -0.21 -0.44 -0.48 119.66 122.96 3m3r s GLN 87 Ca -0.06 -0.49 0.06 0.00 0.02 0.00 0.00 55.36 54.90 3m3r s GLN 87 Cb -0.13 -0.21 -0.02 0.00 1.00 0.00 0.00 33.01 33.65 3m3r s GLN 87 CO -0.02 0.04 -0.19 -0.51 -2.12 0.00 0.00 175.29 172.49 3m3r s LEU 88 N -0.98 2.07 -0.14 2.90 1.02 0.20 -0.37 118.68 123.37 3m3r s LEU 88 Ca -0.07 -0.38 -0.07 0.00 0.02 0.00 0.00 54.13 53.63 3m3r s LEU 88 Cb -0.07 -0.96 0.06 0.00 0.02 0.00 0.00 46.19 45.24 3m3r s LEU 88 CO -0.00 0.21 0.33 -1.58 0.02 0.00 0.00 176.35 175.33 3m3r s GLN 89 N -0.62 0.27 -0.04 1.70 0.74 0.19 -1.92 119.66 119.98 3m3r s GLN 89 Ca 0.07 0.73 -0.18 0.00 0.05 0.00 0.00 55.36 56.03 3m3r s GLN 89 Cb -0.08 -0.01 -0.05 0.00 1.10 0.00 0.00 33.01 33.98 3m3r s GLN 89 CO -0.00 -0.20 0.50 -0.51 -0.55 0.00 0.00 175.29 174.53 3m3r s LEU 90 N 1.75 4.39 0.48 3.68 1.43 0.17 -1.32 118.68 129.26 3m3r s LEU 90 Ca -0.06 0.99 -0.24 0.00 -1.03 0.00 0.00 54.13 53.79 3m3r s LEU 90 Cb -0.10 -2.75 -0.08 0.00 0.03 0.00 0.00 46.19 43.29 3m3r s LEU 90 CO -0.10 0.13 1.34 -2.65 0.23 0.00 0.00 176.35 175.29 3m3r n PRO 91 N 2.79 1.91 0.20 1.29 -0.02 -1.26 -4.79 135.00 135.12 3m3r n PRO 91 Ca -0.09 0.69 0.11 0.00 -2.02 0.00 0.00 63.50 62.19 3m3r n PRO 91 Cb 0.51 -2.51 0.60 0.00 -0.02 0.00 0.00 33.50 32.08 3m3r n PRO 91 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3m3r h ASP 92 N 1.87 0.00 1.41 2.55 3.58 -1.96 -1.25 116.42 122.63 3m3r h ASP 92 Ca -0.50 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 56.84 3m3r h ASP 92 Cb 1.29 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.33 3m3r h ASP 92 CO 0.59 0.00 -0.54 -1.13 -2.88 0.00 0.00 179.24 175.27 3m3r h ASN 93 N 0.00 0.00 -2.94 2.28 -0.73 -2.00 -3.47 115.58 108.72 3m3r h ASN 93 Ca 0.00 0.00 -0.58 0.00 1.87 0.00 0.00 56.30 57.59 3m3r h ASN 93 Cb 0.27 0.00 0.11 0.00 0.27 0.00 0.00 38.32 38.97 3m3r h ASN 93 CO 0.00 0.54 0.41 -0.62 -0.37 0.00 0.00 177.43 177.39 3m3r n GLU 94 N -3.25 1.86 0.06 6.67 -0.58 -0.48 -4.91 120.64 120.02 3m3r n GLU 94 Ca 0.02 0.65 0.12 0.00 -0.42 0.00 0.00 57.16 57.53 3m3r n GLU 94 Cb 0.74 -2.18 0.13 0.00 -0.57 0.00 0.00 31.44 29.56 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 2.46 0.00 -4.12 2.62 -1.51 -1.90 -3.46 116.25 110.33 3m3r h VAL 95 Ca -0.44 -0.57 -0.51 0.00 -1.23 0.00 0.00 66.70 63.95 3m3r h VAL 95 Cb 1.30 1.11 0.08 0.00 -2.13 0.00 0.00 31.29 31.65 3m3r h VAL 95 CO 0.64 0.00 0.41 0.00 -1.23 0.00 0.00 177.57 177.39 3m3r s ALA 96 N -3.20 2.61 0.08 5.19 0.00 -1.26 -4.81 121.76 120.37 3m3r s ALA 96 Ca 0.05 0.74 0.02 0.00 0.00 0.00 0.00 51.96 52.77 3m3r s ALA 96 Cb 0.13 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 3m3r s ALA 96 CO 0.74 -0.96 -0.07 -0.65 0.00 0.00 0.00 175.76 174.81 3m3r s GLN 97 N -3.55 0.75 -0.05 0.00 -0.21 -0.65 -4.93 119.66 111.02 3m3r s GLN 97 Ca 0.71 -1.15 -0.27 0.00 0.02 0.00 0.00 55.36 54.67 3m3r s GLN 97 Cb -0.23 -0.27 -0.03 0.00 1.00 0.00 0.00 33.01 33.48 3m3r s GLN 97 CO 0.32 0.01 0.88 0.42 -2.12 0.00 0.00 175.29 174.81 3m3r s ILE 98 N -2.85 4.91 -0.08 1.08 1.01 -0.83 -0.90 121.20 123.55 3m3r s ILE 98 Ca 0.05 1.83 0.02 0.00 0.00 0.00 0.00 60.65 62.55 3m3r s ILE 98 Cb -0.00 -4.22 -0.07 0.00 0.01 0.00 0.00 42.46 38.19 3m3r s ILE 98 CO -0.03 0.15 -0.05 -0.24 0.00 0.00 0.00 174.94 174.78 3m3r n SER 99 N 4.13 3.31 -3.61 3.58 2.88 0.11 -4.65 113.62 119.38 3m3r n SER 99 Ca 0.04 -0.03 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 3m3r n SER 99 Cb 0.51 0.09 -0.03 0.00 -0.75 0.00 0.00 64.21 64.02 3m3r n SER 99 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3m3r s ASP 100 N -4.57 0.15 -0.07 -3.46 3.68 -1.16 -4.98 116.67 106.26 3m3r s ASP 100 Ca -0.10 -1.07 -0.30 0.00 2.13 0.00 0.00 52.55 53.22 3m3r s ASP 100 Cb 0.03 0.67 0.11 0.00 -1.45 0.00 0.00 42.92 42.28 3m3r s ASP 100 CO 0.23 -1.30 0.94 -0.72 0.13 0.00 0.00 175.17 174.45 3m3r s TYR 101 N -3.47 -0.34 -0.23 -5.34 1.13 -1.26 -0.45 117.35 107.39 3m3r s TYR 101 Ca 0.22 0.35 -0.26 0.00 -1.41 0.00 0.00 57.07 55.97 3m3r s TYR 101 Cb -0.02 0.51 0.07 0.00 -1.10 0.00 0.00 41.96 41.42 3m3r s TYR 101 CO 0.12 -0.46 0.70 -0.47 -2.51 0.00 0.00 175.55 172.94 3m3r s TYR 102 N -2.42 -0.76 0.99 -3.49 6.14 0.36 -4.69 117.35 113.48 3m3r s TYR 102 Ca 0.03 1.78 -0.14 0.00 0.64 0.00 0.00 57.07 59.38 3m3r s TYR 102 Cb -0.01 0.29 0.19 0.00 0.42 0.00 0.00 41.96 42.84 3m3r s TYR 102 CO -0.05 -0.41 1.14 -1.25 0.64 0.00 0.00 175.55 175.62 3m3r s PRO 103 N 0.13 0.46 0.12 4.97 0.04 -1.26 -0.41 135.00 139.05 3m3r s PRO 103 Ca -0.02 0.19 0.01 0.00 0.04 0.00 0.00 61.00 61.22 3m3r s PRO 103 Cb -0.04 -1.77 -0.00 0.00 0.04 0.00 0.00 34.50 32.73 3m3r s PRO 103 CO 0.02 -2.64 0.02 0.54 0.04 0.00 0.00 177.00 174.99 3m3r n ARG 104 N -4.05 1.22 -2.97 4.56 1.74 -1.26 -4.74 116.66 111.16 3m3r n ARG 104 Ca 0.08 -0.91 -0.40 0.00 -0.77 0.00 0.00 57.85 55.85 3m3r n ARG 104 Cb 0.59 0.38 -0.05 0.00 -1.02 0.00 0.00 32.46 32.36 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 -1.67 7.21 0.15 0.55 0.01 -1.26 -4.72 114.94 115.22 3m3r s ASN 105 Ca 0.03 1.45 0.06 0.00 -0.71 0.00 0.00 52.86 53.69 3m3r s ASN 105 Cb 0.00 -2.47 -0.04 0.00 0.41 0.00 0.00 41.25 39.15 3m3r s ASN 105 CO 0.02 -0.01 0.06 -0.94 -1.51 0.00 0.00 177.10 174.72 3m3r s SER 106 N 0.05 5.13 -0.30 -1.22 1.04 -1.26 -5.07 113.70 112.07 3m3r s SER 106 Ca 0.39 -0.25 -0.28 0.00 0.48 0.00 0.00 55.95 56.30 3m3r s SER 106 Cb -0.20 -1.23 0.01 0.00 0.10 0.00 0.00 66.02 64.70 3m3r s SER 106 CO 0.23 0.10 1.03 -0.63 0.98 0.00 0.00 173.24 174.94 3m3r s ILE 107 N -1.67 4.59 0.77 -1.02 1.01 -1.26 -5.02 121.20 118.60 3m3r s ILE 107 Ca 0.29 1.73 -0.11 0.00 0.00 0.00 0.00 60.65 62.55 3m3r s ILE 107 Cb -0.10 -4.36 0.06 0.00 0.01 0.00 0.00 42.46 38.07 3m3r s ILE 107 CO 0.21 -0.38 1.08 -1.81 0.00 0.00 0.00 174.94 174.04 3m3r s ASP 108 N 1.55 4.66 0.23 3.58 1.01 -1.26 -5.07 116.67 121.36 3m3r s ASP 108 Ca 0.43 1.48 0.00 0.00 0.71 0.00 0.00 52.55 55.18 3m3r s ASP 108 Cb -0.13 -2.25 -0.05 0.00 1.01 0.00 0.00 42.92 41.50 3m3r s ASP 108 CO 0.13 -1.89 0.11 0.42 0.21 0.00 0.00 175.17 174.15 3m3r s THR 109 N -3.07 0.34 0.01 -1.27 -4.23 -1.26 -5.17 115.64 101.00 3m3r s THR 109 Ca 0.60 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 59.01 3m3r s THR 109 Cb -0.15 -2.56 0.01 0.00 1.34 0.00 0.00 72.50 71.14 3m3r s THR 109 CO 0.55 -0.02 0.21 -1.59 -0.54 0.00 0.00 174.62 173.23 3m3r s LYS 110 N -4.08 0.62 -0.10 3.99 -2.85 -1.26 -4.72 119.74 111.35 3m3r s LYS 110 Ca 0.38 -0.44 -0.05 0.00 -1.00 0.00 0.00 55.97 54.86 3m3r s LYS 110 Cb 0.07 0.26 -0.04 0.00 -2.06 0.00 0.00 37.83 36.07 3m3r s LYS 110 CO 0.13 -0.17 0.10 -1.21 0.10 0.00 0.00 175.35 174.29 3m3r s GLU 111 N -1.87 3.27 -0.09 1.78 2.02 0.12 -4.96 118.70 118.98 3m3r s GLU 111 Ca -0.10 -0.25 0.02 0.00 0.02 0.00 0.00 54.97 54.65 3m3r s GLU 111 Cb -0.04 -3.04 0.02 0.00 0.10 0.00 0.00 34.13 31.16 3m3r s GLU 111 CO 0.00 0.74 -0.12 -0.47 0.02 0.00 0.00 175.26 175.43 3m3r s TYR 112 N -1.01 1.57 -0.15 1.61 6.14 -1.26 -1.12 117.35 123.14 3m3r s TYR 112 Ca 0.16 -0.67 -0.01 0.00 0.64 0.00 0.00 57.07 57.19 3m3r s TYR 112 Cb -0.12 -1.18 -0.02 0.00 0.42 0.00 0.00 41.96 41.06 3m3r s TYR 112 CO 0.05 -0.37 -0.11 -0.06 0.64 0.00 0.00 175.55 175.70 3m3r s PHE 113 N 0.97 2.87 -0.17 4.97 0.40 0.70 -4.98 117.98 122.74 3m3r s PHE 113 Ca -0.08 -0.64 0.01 0.00 -0.60 0.00 0.00 56.93 55.61 3m3r s PHE 113 Cb -0.15 -1.90 0.02 0.00 0.51 0.00 0.00 43.02 41.50 3m3r s PHE 113 CO -0.00 -0.23 -0.18 -1.12 0.70 0.00 0.00 175.22 174.38 3m3r s SER 114 N 0.51 2.97 -0.10 1.36 0.01 -1.26 -0.74 113.70 116.45 3m3r s SER 114 Ca -0.07 -0.59 0.02 0.00 1.31 0.00 0.00 55.95 56.62 3m3r s SER 114 Cb -0.15 -1.37 0.01 0.00 0.21 0.00 0.00 66.02 64.72 3m3r s SER 114 CO 0.04 -0.01 -0.16 -0.89 0.41 0.00 0.00 173.24 172.63 3m3r s THR 115 N 1.31 1.50 -0.11 1.44 2.01 0.11 -4.98 115.64 116.93 3m3r s THR 115 Ca 0.04 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.40 3m3r s THR 115 Cb -0.13 -1.36 -0.00 0.00 0.01 0.00 0.00 72.50 71.02 3m3r s THR 115 CO -0.11 0.44 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.83 3m3r s LEU 116 N 0.78 2.28 -0.02 4.42 2.96 -1.26 0.36 118.68 128.20 3m3r s LEU 116 Ca -0.11 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.32 3m3r s LEU 116 Cb -0.16 -1.47 0.01 0.00 0.50 0.00 0.00 46.19 45.07 3m3r s LEU 116 CO 0.02 0.16 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.29 3m3r s THR 117 N 0.36 0.31 0.01 3.68 2.01 -0.52 -4.98 115.64 116.52 3m3r s THR 117 Ca -0.16 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 61.80 3m3r s THR 117 Cb -0.17 -0.34 -0.01 0.00 0.01 0.00 0.00 72.50 71.99 3m3r s THR 117 CO 0.08 0.14 -0.08 -0.72 -0.69 0.00 0.00 174.62 173.35 3m3r s TYR 118 N 0.57 0.70 -0.03 4.92 1.13 -1.26 0.17 117.35 123.56 3m3r s TYR 118 Ca -0.06 -0.24 -0.26 0.00 -1.41 0.00 0.00 57.07 55.09 3m3r s TYR 118 Cb -0.09 -0.44 0.06 0.00 -1.10 0.00 0.00 41.96 40.39 3m3r s TYR 118 CO -0.01 -0.02 0.58 0.20 -2.51 0.00 0.00 175.55 173.79 3m3r s GLY 119 N -0.64 -0.48 0.39 5.49 0.00 -0.60 -5.01 107.32 106.47 3m3r s GLY 119 Ca -0.01 1.01 0.08 0.00 0.00 0.00 0.00 44.72 45.80 3m3r s GLY 119 CO 0.00 0.69 0.08 -1.36 0.00 0.00 0.00 173.10 172.51 3m3r s PHE 120 N -1.43 2.56 -0.23 1.90 0.08 -1.26 -1.39 117.98 118.21 3m3r s PHE 120 Ca -0.11 -0.57 -0.28 0.00 0.12 0.00 0.00 56.93 56.10 3m3r s PHE 120 Cb -0.01 -1.77 0.14 0.00 -0.57 0.00 0.00 43.02 40.81 3m3r s PHE 120 CO 0.07 0.34 1.12 0.54 -0.10 0.00 0.00 175.22 177.19 3m3r s ASN 121 N -3.79 -0.30 0.51 1.36 4.22 -0.43 -4.98 114.94 111.53 3m3r s ASN 121 Ca 0.38 0.43 0.06 0.00 -2.14 0.00 0.00 52.86 51.58 3m3r s ASN 121 Cb 0.04 0.38 0.02 0.00 1.28 0.00 0.00 41.25 42.98 3m3r s ASN 121 CO 0.20 -0.20 0.36 -0.83 -2.04 0.00 0.00 177.10 174.59 3m3r s GLY 122 N -0.61 2.37 -0.30 0.45 0.00 -1.26 -1.02 107.32 106.95 3m3r s GLY 122 Ca 0.02 -1.38 -0.13 0.00 0.00 0.00 0.00 44.72 43.24 3m3r s GLY 122 CO -0.04 -1.92 1.01 0.21 0.00 0.00 0.00 173.10 172.36 3m3r s ASN 123 N -4.21 -0.54 -0.11 1.64 2.47 0.03 -4.89 114.94 109.33 3m3r s ASN 123 Ca 0.35 0.42 0.02 0.00 0.42 0.00 0.00 52.86 54.08 3m3r s ASN 123 Cb -0.02 1.49 -0.01 0.00 -1.45 0.00 0.00 41.25 41.26 3m3r s ASN 123 CO 0.21 -0.10 -0.18 -0.69 -3.72 0.00 0.00 177.10 172.62 3m3r s VAL 124 N 2.81 2.60 0.27 -5.21 1.01 -1.26 0.11 120.40 120.73 3m3r s VAL 124 Ca 0.01 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.21 3m3r s VAL 124 Cb -0.09 -2.04 -0.06 0.00 0.00 0.00 0.00 36.38 34.18 3m3r s VAL 124 CO -0.13 0.55 -0.03 0.42 0.00 0.00 0.00 175.10 175.90 3m3r s THR 125 N 0.24 1.43 -0.18 3.92 -4.23 -0.71 -4.99 115.64 111.11 3m3r s THR 125 Ca -0.12 -2.08 -0.28 0.00 -1.18 0.00 0.00 61.69 58.03 3m3r s THR 125 Cb -0.16 -2.46 0.09 0.00 1.34 0.00 0.00 72.50 71.31 3m3r s THR 125 CO 0.06 -0.28 0.83 -0.83 -0.54 0.00 0.00 174.62 173.87 3m3r s GLY 126 N -3.41 -0.41 0.29 3.99 0.00 -1.26 -1.44 107.32 105.08 3m3r s GLY 126 Ca 0.30 1.95 0.11 0.00 0.00 0.00 0.00 44.72 47.07 3m3r s GLY 126 CO 0.11 1.37 -0.16 0.51 0.00 0.00 0.00 173.10 174.92 3m3r s ASP 127 N -0.47 3.49 0.54 1.64 1.47 -0.62 -5.00 116.67 117.73 3m3r s ASP 127 Ca -0.03 -1.08 0.32 0.00 1.18 0.00 0.00 52.55 52.94 3m3r s ASP 127 Cb -0.02 -0.29 1.48 0.00 -0.34 0.00 0.00 42.92 43.75 3m3r s ASP 127 CO 0.02 -0.05 1.89 -2.24 0.68 0.00 0.00 175.17 175.47 3m3r h ASP 128 N 2.24 0.00 -0.08 2.11 -0.00 -2.03 -0.04 116.42 118.61 3m3r h ASP 128 Ca -0.40 0.00 -0.04 0.00 -0.00 0.00 0.00 57.03 56.58 3m3r h ASP 128 Cb 1.25 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 40.56 3m3r h ASP 128 CO 0.63 0.00 0.05 0.35 -0.00 0.00 0.00 179.24 180.27 3m3r n THR 129 N -4.24 1.19 -0.33 1.15 -2.24 -1.26 -4.84 114.28 103.71 3m3r n THR 129 Ca 0.18 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3m3r n THR 129 Cb 0.95 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 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 0.37 0.66 3.73 3.38 0.00 -0.03 -4.97 105.19 108.33 3m3r n GLY 130 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.34 4.31 -0.11 1.61 2.20 -1.24 -4.84 119.74 121.34 3m3r s LYS 131 Ca 0.00 2.16 -0.00 0.00 -0.36 0.00 0.00 55.97 57.77 3m3r s LYS 131 Cb 0.00 -3.20 0.02 0.00 -1.51 0.00 0.00 37.83 33.15 3m3r s LYS 131 CO 0.00 -0.43 -0.08 0.42 -0.36 0.00 0.00 175.35 174.90 3m3r s ILE 132 N 0.71 1.07 0.43 5.43 -1.09 -1.26 -1.59 121.20 124.89 3m3r s ILE 132 Ca 0.63 -0.32 0.04 0.00 -2.23 0.00 0.00 60.65 58.76 3m3r s ILE 132 Cb -0.39 -1.07 -0.02 0.00 -1.58 0.00 0.00 42.46 39.41 3m3r s ILE 132 CO 0.34 0.37 0.13 -0.83 -1.23 0.00 0.00 174.94 173.73 3m3r s GLY 133 N 1.60 2.72 0.16 6.18 0.00 -0.52 -5.01 107.32 112.45 3m3r s GLY 133 Ca 0.03 -1.10 0.04 0.00 0.00 0.00 0.00 44.72 43.69 3m3r s GLY 133 CO -0.07 -1.86 0.13 0.61 0.00 0.00 0.00 173.10 171.91 3m3r n GLY 134 N -0.97 3.50 3.63 0.20 0.00 -1.26 -1.74 105.19 108.54 3m3r n GLY 134 Ca -0.07 -1.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.07 3m3r n GLY 134 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3m3r s LEU 135 N 0.00 -0.38 -0.01 0.99 2.96 0.30 -4.86 118.68 117.67 3m3r s LEU 135 Ca 0.19 0.68 0.00 0.00 -0.22 0.00 0.00 54.13 54.78 3m3r s LEU 135 Cb 0.01 1.78 0.02 0.00 0.50 0.00 0.00 46.19 48.50 3m3r s LEU 135 CO 0.13 -0.17 0.01 -0.63 -1.32 0.00 0.00 176.35 174.37 3m3r s ILE 136 N -0.09 -0.02 -0.02 6.68 1.01 -1.26 -0.79 121.20 126.71 3m3r s ILE 136 Ca 0.03 0.11 -0.05 0.00 0.00 0.00 0.00 60.65 60.73 3m3r s ILE 136 Cb -0.04 -0.05 0.00 0.00 0.01 0.00 0.00 42.46 42.38 3m3r s ILE 136 CO -0.06 0.05 0.12 -0.83 0.00 0.00 0.00 174.94 174.22 3m3r s GLY 137 N 0.57 0.01 0.02 6.18 0.00 -0.19 -5.01 107.32 108.90 3m3r s GLY 137 Ca -0.05 0.02 0.03 0.00 0.00 0.00 0.00 44.72 44.73 3m3r s GLY 137 CO -0.02 -0.08 -0.10 0.00 0.00 0.00 0.00 173.10 172.91 3m3r s ALA 138 N -0.81 0.84 0.16 3.20 0.00 -1.26 -1.32 121.76 122.57 3m3r s ALA 138 Ca -0.09 -0.62 -0.13 0.00 0.00 0.00 0.00 51.96 51.12 3m3r s ALA 138 Cb -0.05 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.95 3m3r s ALA 138 CO 0.01 0.14 0.37 0.54 0.00 0.00 0.00 175.76 176.82 3m3r s ASN 139 N -0.87 -0.08 0.04 0.00 6.03 -0.48 -5.01 114.94 114.55 3m3r s ASN 139 Ca -0.00 -0.66 -0.02 0.00 -1.03 0.00 0.00 52.86 51.15 3m3r s ASN 139 Cb -0.06 0.48 -0.03 0.00 -3.03 0.00 0.00 41.25 38.61 3m3r s ASN 139 CO 0.00 -0.93 -0.00 -0.69 -2.03 0.00 0.00 177.10 173.45 3m3r s VAL 140 N -3.91 0.16 0.01 3.54 1.01 -1.26 -1.56 120.40 118.39 3m3r s VAL 140 Ca 0.12 -1.29 -0.04 0.00 0.00 0.00 0.00 61.98 60.76 3m3r s VAL 140 Cb 0.02 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 3m3r s VAL 140 CO -0.03 -0.71 0.07 -0.44 0.00 0.00 0.00 175.10 173.98 3m3r s SER 141 N -2.16 0.12 -0.14 3.32 0.01 0.13 -4.97 113.70 110.00 3m3r s SER 141 Ca -0.05 -0.34 -0.04 0.00 1.31 0.00 0.00 55.95 56.83 3m3r s SER 141 Cb -0.01 0.16 0.06 0.00 0.21 0.00 0.00 66.02 66.44 3m3r s SER 141 CO -0.05 -0.35 0.10 -0.63 0.41 0.00 0.00 173.24 172.72 3m3r s ILE 142 N -1.46 -0.13 0.16 1.44 1.01 -1.25 -1.43 121.20 119.54 3m3r s ILE 142 Ca -0.15 -0.00 0.10 0.00 0.00 0.00 0.00 60.65 60.60 3m3r s ILE 142 Cb -0.08 -0.48 -0.04 0.00 0.01 0.00 0.00 42.46 41.87 3m3r s ILE 142 CO 0.00 -0.15 -0.20 -0.83 0.00 0.00 0.00 174.94 173.76 3m3r s GLY 143 N 2.17 1.69 -0.03 6.18 0.00 0.16 -4.96 107.32 112.52 3m3r s GLY 143 Ca 0.03 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.26 3m3r s GLY 143 CO -0.08 -1.50 0.00 -1.58 0.00 0.00 0.00 173.10 169.94 3m3r s HIS 144 N -1.43 0.34 -0.05 1.90 5.04 -1.26 0.08 115.29 119.91 3m3r s HIS 144 Ca 0.20 -0.00 0.04 0.00 -1.54 0.00 0.00 55.06 53.75 3m3r s HIS 144 Cb -0.09 -0.45 0.00 0.00 0.04 0.00 0.00 32.58 32.08 3m3r s HIS 144 CO 0.10 -0.15 -0.16 0.99 -2.34 0.00 0.00 174.74 173.18 3m3r s THR 145 N 1.15 1.38 -0.18 0.89 2.01 0.08 -4.98 115.64 115.99 3m3r s THR 145 Ca -0.08 -0.66 -0.02 0.00 0.31 0.00 0.00 61.69 61.24 3m3r s THR 145 Cb -0.13 -1.20 -0.00 0.00 0.01 0.00 0.00 72.50 71.17 3m3r s THR 145 CO -0.02 0.40 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.99 3m3r s LEU 146 N 0.24 2.67 -0.05 4.42 2.96 -1.26 -0.21 118.68 127.46 3m3r s LEU 146 Ca -0.08 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.45 3m3r s LEU 146 Cb -0.13 -1.64 -0.00 0.00 0.50 0.00 0.00 46.19 44.91 3m3r s LEU 146 CO 0.03 0.05 -0.18 -0.75 -1.32 0.00 0.00 176.35 174.18 3m3r s LYS 147 N 1.06 1.87 -0.03 1.98 2.20 -0.27 -4.98 119.74 121.57 3m3r s LYS 147 Ca -0.00 -0.63 -0.29 0.00 -0.36 0.00 0.00 55.97 54.68 3m3r s LYS 147 Cb -0.15 -1.61 0.09 0.00 -1.51 0.00 0.00 37.83 34.65 3m3r s LYS 147 CO -0.02 0.25 0.76 1.52 -0.36 0.00 0.00 175.35 177.49 3m3r s TYR 148 N 0.04 -0.55 0.09 4.03 1.13 -1.26 0.13 117.35 120.96 3m3r s TYR 148 Ca -0.04 0.80 -0.22 0.00 -1.41 0.00 0.00 57.07 56.19 3m3r s TYR 148 Cb -0.12 0.46 -0.07 0.00 -1.10 0.00 0.00 41.96 41.13 3m3r s TYR 148 CO 0.02 -0.58 0.67 0.08 -2.51 0.00 0.00 175.55 173.23 3m3r s VAL 149 N -1.78 4.64 -0.30 -3.49 1.01 -1.26 -5.06 120.40 114.15 3m3r s VAL 149 Ca -0.05 1.45 0.02 0.00 0.00 0.00 0.00 61.98 63.39 3m3r s VAL 149 Cb -0.00 -4.02 0.09 0.00 0.00 0.00 0.00 36.38 32.45 3m3r s VAL 149 CO 0.03 0.49 0.03 -1.10 0.00 0.00 0.00 175.10 174.55 3m3r s GLN 150 N -0.79 1.30 0.43 2.72 -0.21 -1.26 -5.07 119.66 116.78 3m3r s GLN 150 Ca 0.33 -1.39 -0.24 0.00 0.02 0.00 0.00 55.36 54.08 3m3r s GLN 150 Cb -0.21 -2.67 -0.08 0.00 1.00 0.00 0.00 33.01 31.06 3m3r s GLN 150 CO 0.22 -0.86 1.16 -1.25 -2.12 0.00 0.00 175.29 172.44 3m3r s PRO 151 N 1.25 3.92 0.41 2.91 0.04 -1.26 -4.92 135.00 137.35 3m3r s PRO 151 Ca 0.06 1.78 0.08 0.00 0.04 0.00 0.00 61.00 62.96 3m3r s PRO 151 Cb -0.18 -2.53 0.88 0.00 0.04 0.00 0.00 34.50 32.71 3m3r s PRO 151 CO -0.13 -0.42 2.05 -0.44 0.04 0.00 0.00 177.00 178.10 3m3r h ASP 152 N 2.33 0.46 -4.66 6.66 3.45 -1.97 -3.38 116.42 119.31 3m3r h ASP 152 Ca -0.49 -0.01 -0.32 0.00 0.43 0.00 0.00 57.03 56.64 3m3r h ASP 152 Cb 1.24 -0.11 -0.21 0.00 -0.56 0.00 0.00 39.33 39.69 3m3r h ASP 152 CO 0.61 0.32 -0.75 -0.36 -1.57 0.00 0.00 179.24 177.50 3m3r s PHE 153 N -5.48 0.87 -0.05 4.55 0.08 -1.26 -0.47 117.98 116.22 3m3r s PHE 153 Ca -0.08 -0.49 -0.00 0.00 0.12 0.00 0.00 56.93 56.47 3m3r s PHE 153 Cb 0.18 -0.50 -0.03 0.00 -0.57 0.00 0.00 43.02 42.09 3m3r s PHE 153 CO 0.73 -0.03 0.00 0.15 -0.10 0.00 0.00 175.22 175.97 3m3r s LYS 154 N -1.68 2.91 -0.29 0.44 1.02 0.03 -4.86 119.74 117.31 3m3r s LYS 154 Ca -0.07 -0.49 -0.09 0.00 0.02 0.00 0.00 55.97 55.34 3m3r s LYS 154 Cb -0.10 -2.74 -0.02 0.00 -0.52 0.00 0.00 37.83 34.45 3m3r s LYS 154 CO 0.01 0.67 0.13 0.99 -0.92 0.00 0.00 175.35 176.23 3m3r s THR 155 N -0.98 4.61 -0.04 2.17 2.01 -1.26 -1.03 115.64 121.12 3m3r s THR 155 Ca 0.16 -0.26 0.04 0.00 0.31 0.00 0.00 61.69 61.94 3m3r s THR 155 Cb -0.11 -3.27 -0.00 0.00 0.01 0.00 0.00 72.50 69.12 3m3r s THR 155 CO 0.06 0.18 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.37 3m3r s ILE 156 N 1.63 1.40 -0.23 1.82 1.01 -0.22 -4.91 121.20 121.70 3m3r s ILE 156 Ca 0.05 -0.70 -0.19 0.00 0.00 0.00 0.00 60.65 59.81 3m3r s ILE 156 Cb -0.16 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 3m3r s ILE 156 CO 0.06 0.40 0.58 -0.22 0.00 0.00 0.00 174.94 175.76 3m3r s LEU 157 N -0.01 4.09 0.33 2.97 2.96 -1.26 -0.81 118.68 126.95 3m3r s LEU 157 Ca -0.02 0.69 -0.26 0.00 -0.22 0.00 0.00 54.13 54.31 3m3r s LEU 157 Cb -0.11 -2.79 -0.10 0.00 0.50 0.00 0.00 46.19 43.70 3m3r s LEU 157 CO 0.02 -0.29 0.98 -1.61 -1.32 0.00 0.00 176.35 174.13 3m3r s GLU 158 N 2.15 4.51 -0.40 1.98 2.02 0.09 -4.83 118.70 124.22 3m3r s GLU 158 Ca 0.25 1.41 -0.39 0.00 0.02 0.00 0.00 54.97 56.26 3m3r s GLU 158 Cb -0.16 -2.80 -0.15 0.00 0.10 0.00 0.00 34.13 31.13 3m3r s GLU 158 CO 0.09 0.19 2.12 0.43 0.02 0.00 0.00 175.26 178.12 3m3r n SER 159 N 0.51 1.60 -4.93 -0.19 7.64 -1.26 -4.39 113.62 112.60 3m3r n SER 159 Ca 0.02 0.59 -0.26 0.00 1.01 0.00 0.00 58.87 60.23 3m3r n SER 159 Cb 0.49 -1.10 0.06 0.00 -1.01 0.00 0.00 64.21 62.65 3m3r n SER 159 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3m3r s PRO 160 N 5.84 2.32 0.07 1.43 0.04 -1.26 -4.88 135.00 138.56 3m3r s PRO 160 Ca 1.13 -0.24 0.01 0.00 0.04 0.00 0.00 61.00 61.94 3m3r s PRO 160 Cb -1.14 -2.20 -0.00 0.00 0.04 0.00 0.00 34.50 31.20 3m3r s PRO 160 CO 0.58 -1.14 0.04 0.25 0.04 0.00 0.00 177.00 176.77 3m3r n THR 161 N -2.85 0.00 0.49 1.26 -2.24 0.08 -5.00 114.28 106.01 3m3r n THR 161 Ca 0.08 -0.47 0.05 0.00 -2.27 0.00 0.00 64.05 61.44 3m3r n THR 161 Cb 0.60 0.19 0.19 0.00 -2.10 0.00 0.00 70.33 69.21 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 -2.24 2.59 0.00 3.42 5.75 -1.26 -3.83 116.55 120.98 3m3r n ASP 162 Ca -0.00 -2.18 0.00 0.00 -0.01 0.00 0.00 54.79 52.60 3m3r n ASP 162 Cb 0.12 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 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 0.51 3.22 -3.77 0.11 4.76 -1.26 -1.95 118.16 119.77 3m3r n LYS 163 Ca 0.13 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.45 3m3r n LYS 163 Cb 0.48 -0.42 -0.11 0.00 -1.84 0.00 0.00 35.03 33.14 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 -0.47 0.34 0.00 1.97 -2.85 -1.25 0.43 119.74 117.91 3m3r s LYS 164 Ca 0.00 0.41 -0.08 0.00 -1.00 0.00 0.00 55.97 55.31 3m3r s LYS 164 Cb 0.00 0.16 0.00 0.00 -2.06 0.00 0.00 37.83 35.93 3m3r s LYS 164 CO 0.00 -0.04 0.15 0.54 0.10 0.00 0.00 175.35 176.09 3m3r s VAL 165 N 0.18 0.08 0.19 1.79 0.11 -0.81 -0.74 120.40 121.21 3m3r s VAL 165 Ca -0.00 -0.67 -0.22 0.00 -2.93 0.00 0.00 61.98 58.15 3m3r s VAL 165 Cb -0.02 -0.44 0.06 0.00 -1.53 0.00 0.00 36.38 34.44 3m3r s VAL 165 CO 0.00 -0.37 0.64 -0.83 -3.33 0.00 0.00 175.10 171.21 3m3r s GLY 166 N -1.36 -0.47 0.12 6.54 0.00 -1.26 -0.63 107.32 110.27 3m3r s GLY 166 Ca -0.14 0.26 0.06 0.00 0.00 0.00 0.00 44.72 44.90 3m3r s GLY 166 CO 0.02 0.09 -0.15 -0.98 0.00 0.00 0.00 173.10 172.07 3m3r s TRP 167 N -3.80 1.49 -0.04 1.90 0.51 0.37 -0.73 118.94 118.63 3m3r s TRP 167 Ca 0.04 -0.53 -0.02 0.00 -2.12 0.00 0.00 56.10 53.48 3m3r s TRP 167 Cb -0.02 -0.78 0.03 0.00 -0.81 0.00 0.00 33.47 31.89 3m3r s TRP 167 CO -0.07 0.17 0.08 -1.59 -0.51 0.00 0.00 176.95 175.03 3m3r s LYS 168 N -2.58 -0.02 -0.47 4.98 -2.85 0.01 -1.90 119.74 116.91 3m3r s LYS 168 Ca 0.09 0.33 -0.12 0.00 -1.00 0.00 0.00 55.97 55.27 3m3r s LYS 168 Cb -0.06 -0.31 0.10 0.00 -2.06 0.00 0.00 37.83 35.50 3m3r s LYS 168 CO 0.04 -0.23 0.35 0.08 0.10 0.00 0.00 175.35 175.69 3m3r s VAL 169 N 1.58 4.62 -0.06 1.79 1.01 0.11 -1.06 120.40 128.40 3m3r s VAL 169 Ca -0.03 -1.44 -0.03 0.00 0.00 0.00 0.00 61.98 60.48 3m3r s VAL 169 Cb -0.12 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3m3r s VAL 169 CO -0.04 -0.66 0.08 0.27 0.00 0.00 0.00 175.10 174.76 3m3r s ILE 170 N 1.49 4.86 0.30 2.22 -4.36 -0.20 -1.18 121.20 124.33 3m3r s ILE 170 Ca 0.04 -0.18 -0.30 0.00 -0.26 0.00 0.00 60.65 59.95 3m3r s ILE 170 Cb -0.25 -3.15 -0.11 0.00 1.25 0.00 0.00 42.46 40.20 3m3r s ILE 170 CO 0.03 0.49 1.58 0.12 0.24 0.00 0.00 174.94 177.40 3m3r s PHE 171 N -1.07 2.73 -0.01 1.37 2.19 0.49 -0.79 117.98 122.90 3m3r s PHE 171 Ca 0.18 0.82 -0.01 0.00 0.33 0.00 0.00 56.93 58.26 3m3r s PHE 171 Cb -0.12 -4.07 -0.00 0.00 -1.31 0.00 0.00 43.02 37.52 3m3r s PHE 171 CO 0.08 -3.54 -0.02 -1.71 1.83 0.00 0.00 175.22 171.87 3m3r n ASN 172 N 1.96 0.14 -3.49 6.13 5.15 0.39 -4.81 115.26 120.72 3m3r n ASN 172 Ca 0.07 0.02 -0.10 0.00 -0.60 0.00 0.00 54.58 53.98 3m3r n ASN 172 Cb 0.38 -0.34 -0.02 0.00 -0.53 0.00 0.00 39.78 39.27 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 -4.51 -0.44 0.00 1.20 4.22 -1.19 -4.70 114.94 109.52 3m3r s ASN 173 Ca -0.02 -0.04 -0.13 0.00 -2.14 0.00 0.00 52.86 50.53 3m3r s ASN 173 Cb 0.00 0.50 0.02 0.00 1.28 0.00 0.00 41.25 43.05 3m3r s ASN 173 CO 0.02 -0.82 0.28 -0.32 -2.04 0.00 0.00 177.10 174.22 3m3r s MET 174 N -3.44 0.68 0.11 3.55 1.75 -0.15 -4.30 119.30 117.50 3m3r s MET 174 Ca 0.04 -0.32 -0.22 0.00 -1.25 0.00 0.00 55.69 53.94 3m3r s MET 174 Cb -0.01 0.30 -0.07 0.00 2.84 0.00 0.00 34.83 37.88 3m3r s MET 174 CO -0.10 -0.19 0.66 0.08 -0.65 0.00 0.00 175.02 174.82 3m3r s VAL 175 N -1.70 4.58 -0.32 10.11 1.01 -1.26 -0.19 120.40 132.63 3m3r s VAL 175 Ca -0.11 1.43 0.03 0.00 0.00 0.00 0.00 61.98 63.33 3m3r s VAL 175 Cb -0.04 -4.00 0.09 0.00 0.00 0.00 0.00 36.38 32.43 3m3r s VAL 175 CO 0.02 0.54 0.02 0.21 0.00 0.00 0.00 175.10 175.88 3m3r s ASN 176 N -1.11 4.63 -1.20 3.32 3.84 -0.52 -4.79 114.94 119.11 3m3r s ASN 176 Ca 0.32 -1.94 -0.17 0.00 0.21 0.00 0.00 52.86 51.28 3m3r s ASN 176 Cb -0.21 -1.56 -0.00 0.00 -0.55 0.00 0.00 41.25 38.93 3m3r s ASN 176 CO 0.22 -0.34 0.71 0.00 -2.79 0.00 0.00 177.10 174.90 3m3r n GLN 177 N 4.34 -1.75 -1.07 0.43 6.02 -1.26 -1.32 117.38 122.77 3m3r n GLN 177 Ca -0.01 0.43 -0.02 0.00 -0.01 0.00 0.00 57.00 57.39 3m3r n GLN 177 Cb 0.42 -4.17 -0.01 0.00 1.02 0.00 0.00 30.24 27.50 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 -2.73 -5.05 -4.68 1.08 5.03 -1.26 -4.99 115.26 102.66 3m3r n ASN 178 Ca -0.15 0.06 -0.26 0.00 0.87 0.00 0.00 54.58 55.11 3m3r n ASN 178 Cb 0.61 -2.75 -0.09 0.00 -1.02 0.00 0.00 39.78 36.53 3m3r n ASN 178 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 3m3r s TRP 179 N -1.50 2.57 0.00 3.10 0.52 -0.43 -5.03 118.94 118.17 3m3r s TRP 179 Ca 0.00 -0.59 0.00 0.00 0.02 0.00 0.00 56.10 55.53 3m3r s TRP 179 Cb 0.00 -1.83 0.00 0.00 -1.15 0.00 0.00 33.47 30.49 3m3r s TRP 179 CO 0.00 0.31 0.00 0.41 0.02 0.00 0.00 176.95 177.69 3m3r n GLY 180 N -1.11 0.81 3.58 0.98 0.00 -1.26 -1.43 105.19 106.76 3m3r n GLY 180 Ca -0.03 -1.30 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.26 0.24 1.61 0.02 -1.26 -5.04 135.00 130.31 3m3r s PRO 181 Ca 0.00 0.75 0.08 0.00 0.02 0.00 0.00 61.00 61.85 3m3r s PRO 181 Cb 0.00 -1.64 -0.05 0.00 0.02 0.00 0.00 34.50 32.83 3m3r s PRO 181 CO 0.00 -3.25 -0.13 0.71 -0.33 0.00 0.00 177.00 173.99 3m3r s TYR 182 N -2.68 1.89 0.26 6.54 1.51 0.74 -4.86 117.35 120.75 3m3r s TYR 182 Ca 0.67 -0.55 0.02 0.00 -1.01 0.00 0.00 57.07 56.19 3m3r s TYR 182 Cb -0.22 -0.91 -0.01 0.00 -0.11 0.00 0.00 41.96 40.71 3m3r s TYR 182 CO 0.61 0.41 0.31 -0.40 -1.11 0.00 0.00 175.55 175.37 3m3r n ASP 183 N -0.48 -0.83 0.28 2.29 3.85 -1.26 -0.98 116.55 119.42 3m3r n ASP 183 Ca -0.07 -2.55 0.16 0.00 -0.71 0.00 0.00 54.79 51.62 3m3r n ASP 183 Cb 0.61 1.67 0.84 0.00 -1.35 0.00 0.00 41.12 42.88 3m3r n ASP 183 CO 0.00 0.00 0.00 0.03 -1.01 0.00 0.00 177.20 176.22 3m3r h ARG 184 N 0.00 0.00 -0.16 0.11 3.08 -1.95 -1.78 114.38 113.68 3m3r h ARG 184 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3m3r h ARG 184 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.96 3m3r h ARG 184 CO 0.27 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.92 3m3r n ASP 185 N -2.71 2.34 -4.71 7.04 8.00 -1.26 -4.77 116.55 120.48 3m3r n ASP 185 Ca -0.02 -1.71 -0.43 0.00 0.71 0.00 0.00 54.79 53.34 3m3r n ASP 185 Cb 0.21 -0.10 -0.02 0.00 -0.02 0.00 0.00 41.12 41.19 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 0.51 3.42 -3.73 -2.24 7.64 -0.67 -4.98 113.62 113.57 3m3r n SER 186 Ca 0.08 1.14 -0.12 0.00 1.01 0.00 0.00 58.87 60.98 3m3r n SER 186 Cb 0.33 -1.52 -0.12 0.00 -1.01 0.00 0.00 64.21 61.89 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 0.07 -0.41 -0.10 1.43 -0.11 -1.26 -3.76 118.94 114.80 3m3r s TRP 187 Ca 0.67 0.93 0.01 0.00 1.22 0.00 0.00 56.10 58.93 3m3r s TRP 187 Cb -0.56 0.12 0.02 0.00 -1.50 0.00 0.00 33.47 31.55 3m3r s TRP 187 CO 0.48 -0.25 -0.11 1.21 -4.62 0.00 0.00 176.95 173.66 3m3r s ASN 188 N 1.05 2.10 0.56 5.86 3.84 0.14 -4.95 114.94 123.54 3m3r s ASN 188 Ca -0.07 -0.33 0.27 0.00 0.21 0.00 0.00 52.86 52.94 3m3r s ASN 188 Cb -0.08 -0.90 1.48 0.00 -0.55 0.00 0.00 41.25 41.20 3m3r s ASN 188 CO -0.08 -0.04 1.98 1.55 -2.79 0.00 0.00 177.10 177.73 3m3r h PRO 189 N 7.60 0.00 0.00 0.43 0.13 -2.00 1.42 132.00 139.57 3m3r h PRO 189 Ca -0.31 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.81 3m3r h PRO 189 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3m3r h PRO 189 CO 0.46 0.00 -0.26 0.28 -0.23 0.00 0.00 178.00 178.25 3m3r h VAL 190 N 0.00 0.16 -0.10 1.56 2.07 -1.97 -3.41 116.25 114.56 3m3r h VAL 190 Ca 0.22 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.59 3m3r h VAL 190 Cb 0.99 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3m3r h VAL 190 CO -0.00 0.06 0.00 -1.22 0.02 0.00 0.00 177.57 176.42 3m3r n TYR 191 N -4.69 0.11 -3.49 1.57 4.02 -1.15 -4.74 117.16 108.78 3m3r n TYR 191 Ca -0.05 -0.06 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 3m3r n TYR 191 Cb 0.17 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.49 3m3r n TYR 191 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3m3r n GLY 192 N 1.26 1.85 3.58 2.72 0.00 0.49 -1.27 105.19 113.82 3m3r n GLY 192 Ca 0.14 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 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 6.44 -0.01 1.61 3.84 0.13 -0.69 114.94 122.27 3m3r s ASN 193 Ca 0.00 0.21 0.13 0.00 0.21 0.00 0.00 52.86 53.41 3m3r s ASN 193 Cb 0.00 -2.32 0.38 0.00 -0.55 0.00 0.00 41.25 38.76 3m3r s ASN 193 CO 0.00 -0.56 1.31 0.00 -2.79 0.00 0.00 177.10 175.06 3m3r n GLN 194 N 5.99 2.05 -0.35 0.43 6.02 -1.26 -3.93 117.38 126.34 3m3r n GLN 194 Ca -0.01 -1.55 -0.09 0.00 -0.01 0.00 0.00 57.00 55.34 3m3r n GLN 194 Cb 0.49 -1.36 -0.08 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 0.73 -0.87 -0.70 1.08 0.00 -1.26 -2.10 117.00 113.88 3m3r n LEU 195 Ca 0.14 1.47 0.05 0.00 0.00 0.00 0.00 56.01 57.67 3m3r n LEU 195 Cb 0.38 -0.19 0.20 0.00 0.00 0.00 0.00 43.42 43.81 3m3r n LEU 195 CO 0.10 -1.20 0.59 0.49 0.00 0.00 0.00 177.39 177.38 3m3r n PHE 196 N -5.03 0.54 -2.63 1.96 3.72 -1.26 -4.81 117.46 109.94 3m3r n PHE 196 Ca 0.02 -1.26 -0.43 0.00 -0.05 0.00 0.00 57.45 55.73 3m3r n PHE 196 Cb 0.22 -0.31 -0.02 0.00 -0.94 0.00 0.00 39.48 38.42 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 -3.06 4.36 -0.07 -1.08 1.75 -0.89 -0.29 119.30 120.02 3m3r s MET 197 Ca 0.39 1.44 -0.22 0.00 -1.25 0.00 0.00 55.69 56.05 3m3r s MET 197 Cb 0.35 -3.58 -0.17 0.00 2.84 0.00 0.00 34.83 34.26 3m3r s MET 197 CO 0.01 -0.44 0.85 -0.22 -0.65 0.00 0.00 175.02 174.57 3m3r h LYS 198 N 7.30 -0.12 -5.24 4.11 3.64 -0.77 -3.43 116.57 122.06 3m3r h LYS 198 Ca -0.28 0.01 -0.38 0.00 -1.27 0.00 0.00 60.65 58.73 3m3r h LYS 198 Cb 1.12 0.03 -0.19 0.00 -0.41 0.00 0.00 32.23 32.78 3m3r h LYS 198 CO 0.90 0.40 -0.75 0.95 -2.27 0.00 0.00 179.45 178.67 3m3r s THR 199 N -3.18 1.14 0.00 1.00 -4.23 -1.26 -4.98 115.64 104.13 3m3r s THR 199 Ca -0.14 -1.59 -0.00 0.00 -1.18 0.00 0.00 61.69 58.78 3m3r s THR 199 Cb -0.00 -1.36 -0.26 0.00 1.34 0.00 0.00 72.50 72.22 3m3r s THR 199 CO 0.51 -0.42 0.84 0.03 -0.54 0.00 0.00 174.62 175.05 3m3r h ARG 200 N 3.72 0.20 0.00 3.99 3.08 -1.93 -3.40 114.38 120.04 3m3r h ARG 200 Ca -0.39 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.32 3m3r h ARG 200 Cb 1.19 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.37 3m3r h ARG 200 CO 0.49 1.03 0.00 0.09 -1.07 0.00 0.00 179.97 180.51 3m3r n ASN 201 N -3.39 0.40 -2.55 7.04 4.13 -1.26 -0.65 115.26 118.98 3m3r n ASN 201 Ca -0.16 -0.70 -0.31 0.00 1.68 0.00 0.00 54.58 55.10 3m3r n ASN 201 Cb 1.04 0.52 -0.03 0.00 -1.54 0.00 0.00 39.78 39.77 3m3r n ASN 201 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3m3r n GLY 202 N 0.52 -0.59 0.64 7.41 0.00 -1.26 -4.80 105.19 107.11 3m3r n GLY 202 Ca 0.00 0.31 0.07 0.00 0.00 0.00 0.00 46.02 46.40 3m3r n GLY 202 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3m3r n SER 203 N 1.01 1.87 -4.78 1.61 3.41 -1.26 -4.91 113.62 110.57 3m3r n SER 203 Ca 0.11 -1.93 -0.29 0.00 -0.26 0.00 0.00 58.87 56.50 3m3r n SER 203 Cb 0.10 -0.21 0.11 0.00 -0.26 0.00 0.00 64.21 63.95 3m3r n SER 203 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3m3r s MET 204 N -1.58 1.55 0.76 4.33 0.23 -1.26 -5.04 119.30 118.29 3m3r s MET 204 Ca 0.26 0.11 -0.11 0.00 -1.03 0.00 0.00 55.69 54.92 3m3r s MET 204 Cb 0.14 -1.90 0.05 0.00 -1.53 0.00 0.00 34.83 31.58 3m3r s MET 204 CO 0.19 -1.88 1.08 -1.59 -2.03 0.00 0.00 175.02 170.79 3m3r s LYS 205 N -5.52 2.40 0.11 3.16 -2.85 -1.26 -4.92 119.74 110.86 3m3r s LYS 205 Ca 0.64 0.75 -0.33 0.00 -1.00 0.00 0.00 55.97 56.02 3m3r s LYS 205 Cb -0.11 -1.95 -0.12 0.00 -2.06 0.00 0.00 37.83 33.59 3m3r s LYS 205 CO 0.51 -1.42 1.57 0.00 0.10 0.00 0.00 175.35 176.10 3m3r h ALA 206 N -0.95 -0.89 -0.57 0.59 0.00 -1.66 -2.13 119.26 113.65 3m3r h ALA 206 Ca -0.46 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 54.52 3m3r h ALA 206 Cb 1.25 0.82 -0.02 0.00 0.00 0.00 0.00 17.79 19.84 3m3r h ALA 206 CO 0.58 -1.07 0.76 0.00 0.00 0.00 0.00 179.25 179.52 3m3r h ALA 207 N -0.38 2.34 -0.35 0.00 0.00 -1.87 0.36 119.26 119.37 3m3r h ALA 207 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3m3r h ALA 207 Cb 0.73 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3m3r h ALA 207 CO -0.28 -1.05 0.00 -0.25 0.00 0.00 0.00 179.25 177.67 3m3r n ASP 208 N -3.36 3.15 -1.63 0.00 10.43 -0.81 -4.31 116.55 120.03 3m3r n ASP 208 Ca 0.12 -1.95 -0.06 0.00 2.57 0.00 0.00 54.79 55.47 3m3r n ASP 208 Cb 0.96 -0.23 0.25 0.00 1.84 0.00 0.00 41.12 43.94 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 1.29 3.90 -4.88 -2.24 5.15 0.13 -4.94 115.26 113.66 3m3r n ASN 209 Ca 0.19 -3.39 -0.34 0.00 -0.60 0.00 0.00 54.58 50.44 3m3r n ASN 209 Cb 0.56 -0.70 -0.05 0.00 -0.53 0.00 0.00 39.78 39.06 3m3r n ASN 209 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3m3r s PHE 210 N -3.08 3.56 0.35 1.20 0.08 -1.26 -0.13 117.98 118.71 3m3r s PHE 210 Ca 0.51 0.61 -0.28 0.00 0.12 0.00 0.00 56.93 57.89 3m3r s PHE 210 Cb 0.42 -2.02 -0.12 0.00 -0.57 0.00 0.00 43.02 40.73 3m3r s PHE 210 CO 0.09 0.56 1.28 -0.11 -0.10 0.00 0.00 175.22 176.94 3m3r n LEU 211 N 0.86 3.60 -4.67 -0.37 7.94 0.60 -4.57 117.00 120.40 3m3r n LEU 211 Ca -0.09 1.19 -0.42 0.00 -1.11 0.00 0.00 56.01 55.58 3m3r n LEU 211 Cb 0.52 -1.48 -0.03 0.00 0.53 0.00 0.00 43.42 42.96 3m3r n LEU 211 CO 0.43 -0.53 1.35 -0.62 -1.11 0.00 0.00 177.39 176.91 3m3r s ASP 212 N -0.35 6.66 0.56 1.96 -1.08 -1.26 -4.87 116.67 118.28 3m3r s ASP 212 Ca 0.56 2.31 0.26 0.00 -0.52 0.00 0.00 52.55 55.17 3m3r s ASP 212 Cb -0.56 -2.54 1.48 0.00 -1.46 0.00 0.00 42.92 39.83 3m3r s ASP 212 CO 0.62 -0.90 2.01 1.55 0.52 0.00 0.00 175.17 178.97 3m3r h PRO 213 N 9.10 0.00 0.00 4.34 0.13 -1.92 0.50 132.00 144.15 3m3r h PRO 213 Ca -0.40 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.72 3m3r h PRO 213 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 3m3r h PRO 213 CO 0.94 0.00 -0.04 -0.91 -0.23 0.00 0.00 178.00 177.77 3m3r h ASN 214 N 0.00 0.00 -0.69 1.44 2.35 -1.96 -0.87 115.58 115.86 3m3r h ASN 214 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3m3r h ASN 214 Cb 0.85 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.22 3m3r h ASN 214 CO -0.00 0.04 0.00 0.29 -1.65 0.00 0.00 177.43 176.10 3m3r n LYS 215 N -3.28 3.51 -4.33 0.81 5.02 0.17 -4.92 118.16 115.14 3m3r n LYS 215 Ca -0.02 -2.86 -0.17 0.00 -2.02 0.00 0.00 58.31 53.24 3m3r n LYS 215 Cb 0.19 -1.83 -0.10 0.00 -0.02 0.00 0.00 35.03 33.27 3m3r n LYS 215 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3m3r s ALA 216 N -1.63 1.87 -0.32 7.82 0.00 -0.33 -4.76 121.76 124.41 3m3r s ALA 216 Ca 0.52 -1.70 -0.43 0.00 0.00 0.00 0.00 51.96 50.35 3m3r s ALA 216 Cb 0.32 0.18 -0.18 0.00 0.00 0.00 0.00 23.12 23.44 3m3r s ALA 216 CO 0.27 -0.10 1.58 0.45 0.00 0.00 0.00 175.76 177.97 3m3r n SER 217 N -0.39 1.57 0.18 0.00 2.88 -1.26 -4.78 113.62 111.82 3m3r n SER 217 Ca -0.07 1.14 0.10 0.00 -1.33 0.00 0.00 58.87 58.71 3m3r n SER 217 Cb 0.62 -1.01 0.54 0.00 -0.75 0.00 0.00 64.21 63.62 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 5.61 0.00 1.35 -3.46 4.64 -1.93 -0.48 113.55 119.27 3m3r h SER 218 Ca -0.46 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 3m3r h SER 218 Cb 1.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.44 3m3r h SER 218 CO 0.92 0.00 -0.05 -0.07 -0.87 0.00 0.00 176.83 176.76 3m3r h LEU 219 N 0.00 0.00 -1.12 5.97 4.07 -1.87 -2.52 115.31 119.85 3m3r h LEU 219 Ca 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.89 3m3r h LEU 219 Cb 0.24 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 3m3r h LEU 219 CO 0.00 0.05 -0.13 -0.07 -1.08 0.00 0.00 178.44 177.21 3m3r h LEU 220 N 0.00 0.44 0.00 1.67 3.38 -1.41 -3.24 115.31 116.16 3m3r h LEU 220 Ca -0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3m3r h LEU 220 Cb 0.74 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3m3r h LEU 220 CO 0.01 0.61 -0.01 -1.54 0.09 0.00 0.00 178.44 177.60 3m3r n SER 221 N -4.21 0.02 -0.35 -0.43 3.41 -1.19 -2.17 113.62 108.70 3m3r n SER 221 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.62 3m3r n SER 221 Cb 0.32 -0.20 0.13 0.00 -0.26 0.00 0.00 64.21 64.20 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 -0.01 1.02 -4.90 4.04 0.02 -1.70 0.23 113.55 112.26 3m3r h SER 222 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3m3r h SER 222 Cb 0.01 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.32 3m3r h SER 222 CO 0.00 0.70 0.00 0.61 -1.14 0.00 0.00 176.83 177.00 3m3r n GLY 223 N -1.36 1.68 3.48 -3.77 0.00 -1.07 -3.53 105.19 100.62 3m3r n GLY 223 Ca 0.13 -2.21 -0.33 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.45 2.79 -0.35 1.61 5.36 -0.27 -4.38 117.98 121.30 3m3r s PHE 224 Ca 0.00 -0.22 -0.07 0.00 -0.96 0.00 0.00 56.93 55.67 3m3r s PHE 224 Cb 0.00 -1.71 0.04 0.00 -0.34 0.00 0.00 43.02 41.01 3m3r s PHE 224 CO 0.00 0.13 0.13 -1.12 -1.46 0.00 0.00 175.22 172.89 3m3r s SER 225 N -0.47 5.39 0.55 6.13 0.01 -1.26 -0.19 113.70 123.86 3m3r s SER 225 Ca 0.06 -1.15 -0.20 0.00 1.31 0.00 0.00 55.95 55.97 3m3r s SER 225 Cb -0.12 -1.89 -0.05 0.00 0.21 0.00 0.00 66.02 64.17 3m3r s SER 225 CO 0.02 -0.35 1.19 -2.84 0.41 0.00 0.00 173.24 171.67 3m3r s PRO 226 N 1.42 3.24 -0.46 12.44 0.02 -1.23 -4.93 135.00 145.50 3m3r s PRO 226 Ca -0.01 1.79 0.07 0.00 0.02 0.00 0.00 61.00 62.87 3m3r s PRO 226 Cb -0.20 -2.06 0.24 0.00 0.02 0.00 0.00 34.50 32.50 3m3r s PRO 226 CO 0.03 -0.98 0.75 -3.47 -0.33 0.00 0.00 177.00 173.00 3m3r n ASP 227 N -1.26 -1.90 -4.51 2.53 2.03 -1.17 -3.91 116.55 108.37 3m3r n ASP 227 Ca 0.12 -3.07 -0.30 0.00 0.52 0.00 0.00 54.79 52.06 3m3r n ASP 227 Cb 0.49 0.99 -0.11 0.00 -0.72 0.00 0.00 41.12 41.77 3m3r n ASP 227 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3m3r s PHE 228 N 0.10 2.63 -0.04 -0.67 2.99 -0.91 -4.69 117.98 117.38 3m3r s PHE 228 Ca 0.33 -0.21 0.06 0.00 0.00 0.00 0.00 56.93 57.11 3m3r s PHE 228 Cb 0.19 -1.44 -0.02 0.00 0.00 0.00 0.00 43.02 41.76 3m3r s PHE 228 CO -0.19 0.34 -0.24 0.00 -0.00 0.00 0.00 175.22 175.13 3m3r s ALA 229 N -1.05 2.23 -0.07 5.36 0.00 0.45 -0.30 121.76 128.38 3m3r s ALA 229 Ca 0.17 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 51.08 3m3r s ALA 229 Cb -0.11 -0.67 0.02 0.00 0.00 0.00 0.00 23.12 22.36 3m3r s ALA 229 CO 0.09 0.47 -0.10 0.99 0.00 0.00 0.00 175.76 177.21 3m3r s THR 230 N -0.39 0.98 -0.18 0.00 2.01 0.09 -0.49 115.64 117.67 3m3r s THR 230 Ca 0.03 -0.37 -0.07 0.00 0.31 0.00 0.00 61.69 61.59 3m3r s THR 230 Cb -0.12 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 3m3r s THR 230 CO 0.02 0.33 0.04 -0.69 -0.69 0.00 0.00 174.62 173.62 3m3r s VAL 231 N 0.84 4.51 -0.12 3.82 1.01 0.40 -0.25 120.40 130.62 3m3r s VAL 231 Ca -0.12 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 61.76 3m3r s VAL 231 Cb -0.15 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.20 3m3r s VAL 231 CO 0.02 0.45 -0.22 -0.63 0.00 0.00 0.00 175.10 174.72 3m3r s ILE 232 N 0.53 2.19 0.16 2.22 1.01 0.67 0.08 121.20 128.06 3m3r s ILE 232 Ca 0.02 -0.95 0.05 0.00 0.00 0.00 0.00 60.65 59.76 3m3r s ILE 232 Cb -0.13 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 3m3r s ILE 232 CO 0.01 0.55 0.13 0.42 0.00 0.00 0.00 174.94 176.05 3m3r s THR 233 N 0.58 4.49 -0.11 2.92 -4.23 -0.08 -0.30 115.64 118.91 3m3r s THR 233 Ca -0.12 -1.05 -0.11 0.00 -1.18 0.00 0.00 61.69 59.23 3m3r s THR 233 Cb -0.17 -3.28 0.03 0.00 1.34 0.00 0.00 72.50 70.42 3m3r s THR 233 CO 0.03 -0.09 0.30 -0.32 -0.54 0.00 0.00 174.62 174.01 3m3r s MET 234 N -3.03 0.37 0.22 3.99 0.00 -0.60 -1.63 119.30 118.62 3m3r s MET 234 Ca 0.31 0.39 -0.30 0.00 0.00 0.00 0.00 55.69 56.09 3m3r s MET 234 Cb -0.10 0.18 -0.09 0.00 0.00 0.00 0.00 34.83 34.82 3m3r s MET 234 CO 0.23 -0.05 1.24 0.34 0.00 0.00 0.00 175.02 176.78 3m3r s ASP 235 N 0.09 7.00 0.40 1.11 2.15 -1.26 -1.27 116.67 124.89 3m3r s ASP 235 Ca -0.01 2.36 0.26 0.00 0.43 0.00 0.00 52.55 55.59 3m3r s ASP 235 Cb -0.02 -2.62 0.74 0.00 -0.30 0.00 0.00 42.92 40.72 3m3r s ASP 235 CO 0.01 -0.42 1.74 0.03 -0.17 0.00 0.00 175.17 176.36 3m3r h ARG 236 N 4.83 0.00 -0.00 4.34 3.08 -1.96 -3.05 114.38 121.63 3m3r h ARG 236 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3m3r h ARG 236 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3m3r h ARG 236 CO 0.73 0.00 -0.50 1.63 -1.07 0.00 0.00 179.97 180.76 3m3r n LYS 237 N -2.83 0.11 -1.64 0.04 4.76 -1.26 -4.95 118.16 112.39 3m3r n LYS 237 Ca 0.03 -0.06 -0.49 0.00 -2.87 0.00 0.00 58.31 54.92 3m3r n LYS 237 Cb 0.43 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 32.07 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 -1.39 0.37 -0.17 7.82 0.00 -1.15 -4.87 120.51 121.11 3m3r n ALA 238 Ca 0.06 0.46 -0.05 0.00 0.00 0.00 0.00 53.44 53.91 3m3r n ALA 238 Cb 0.34 -2.25 0.04 0.00 0.00 0.00 0.00 19.45 17.58 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 5.65 0.48 -3.60 0.00 0.87 -1.92 -3.37 113.55 111.65 3m3r h SER 239 Ca -0.46 0.01 -0.67 0.00 -1.23 0.00 0.00 61.79 59.44 3m3r h SER 239 Cb 1.29 -0.09 -0.17 0.00 -0.44 0.00 0.00 62.40 62.99 3m3r h SER 239 CO 0.85 0.34 -0.19 -0.75 -0.53 0.00 0.00 176.83 176.54 3m3r s LYS 240 N -6.14 3.40 -0.10 2.24 2.20 -1.26 -4.95 119.74 115.13 3m3r s LYS 240 Ca -0.13 -0.48 0.11 0.00 -0.36 0.00 0.00 55.97 55.11 3m3r s LYS 240 Cb 0.13 -3.87 0.50 0.00 -1.51 0.00 0.00 37.83 33.08 3m3r s LYS 240 CO 0.74 -0.69 1.33 1.04 -0.36 0.00 0.00 175.35 177.41 3m3r n GLN 241 N 5.57 3.07 -4.94 4.03 1.13 -1.26 -4.88 117.38 120.10 3m3r n GLN 241 Ca -0.07 -1.95 -0.27 0.00 -1.94 0.00 0.00 57.00 52.76 3m3r n GLN 241 Cb 0.48 -1.79 -0.15 0.00 0.11 0.00 0.00 30.24 28.89 3m3r n GLN 241 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 3m3r s GLN 242 N -1.88 1.66 -0.01 -1.09 0.00 -1.26 -1.91 119.66 115.16 3m3r s GLN 242 Ca 0.35 -0.83 0.02 0.00 -0.00 0.00 0.00 55.36 54.90 3m3r s GLN 242 Cb 0.24 -1.66 -0.00 0.00 0.00 0.00 0.00 33.01 31.59 3m3r s GLN 242 CO 0.14 0.45 -0.08 0.99 0.00 0.00 0.00 175.29 176.79 3m3r s THR 243 N -0.60 0.65 0.13 3.63 2.01 0.17 -4.97 115.64 116.67 3m3r s THR 243 Ca 0.08 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 61.75 3m3r s THR 243 Cb -0.08 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 3m3r s THR 243 CO 0.00 0.19 0.29 0.20 -0.69 0.00 0.00 174.62 174.62 3m3r s ASN 244 N -0.07 6.38 -0.18 3.53 0.01 -1.26 0.59 114.94 123.94 3m3r s ASN 244 Ca 0.01 0.31 -0.15 0.00 -0.71 0.00 0.00 52.86 52.32 3m3r s ASN 244 Cb -0.05 -1.97 0.05 0.00 0.41 0.00 0.00 41.25 39.69 3m3r s ASN 244 CO -0.00 0.07 0.47 -0.51 -1.51 0.00 0.00 177.10 175.62 3m3r s ILE 245 N -1.68 -0.00 -0.11 0.60 2.07 -0.84 -4.23 121.20 117.00 3m3r s ILE 245 Ca 0.36 0.02 -0.03 0.00 -1.41 0.00 0.00 60.65 59.59 3m3r s ILE 245 Cb -0.12 -0.67 -0.03 0.00 0.13 0.00 0.00 42.46 41.77 3m3r s ILE 245 CO 0.28 0.01 0.00 -1.81 -1.91 0.00 0.00 174.94 171.51 3m3r s ASP 246 N 0.51 5.21 -0.10 4.50 -0.00 -0.43 -0.60 116.67 125.76 3m3r s ASP 246 Ca -0.02 0.09 0.03 0.00 -0.00 0.00 0.00 52.55 52.65 3m3r s ASP 246 Cb -0.04 -1.60 -0.01 0.00 -0.00 0.00 0.00 42.92 41.27 3m3r s ASP 246 CO -0.03 0.31 -0.21 -0.69 -0.00 0.00 0.00 175.17 174.55 3m3r s VAL 247 N -0.49 2.32 -0.13 -1.27 1.01 -0.14 -0.64 120.40 121.07 3m3r s VAL 247 Ca 0.09 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.15 3m3r s VAL 247 Cb -0.12 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.37 3m3r s VAL 247 CO 0.02 0.56 -0.19 -0.63 0.00 0.00 0.00 175.10 174.86 3m3r s ILE 248 N 0.19 1.83 -0.13 2.22 1.09 0.50 -1.19 121.20 125.72 3m3r s ILE 248 Ca -0.13 -0.84 -0.05 0.00 -1.10 0.00 0.00 60.65 58.53 3m3r s ILE 248 Cb -0.16 -1.63 -0.04 0.00 -1.06 0.00 0.00 42.46 39.56 3m3r s ILE 248 CO 0.07 0.50 0.07 -0.31 -0.10 0.00 0.00 174.94 175.17 3m3r s TYR 249 N 0.90 3.34 0.00 3.97 1.51 0.14 -1.33 117.35 125.89 3m3r s TYR 249 Ca -0.06 0.27 -0.07 0.00 -1.01 0.00 0.00 57.07 56.20 3m3r s TYR 249 Cb -0.15 -1.93 0.00 0.00 -0.11 0.00 0.00 41.96 39.77 3m3r s TYR 249 CO -0.02 0.47 0.14 -2.00 -1.11 0.00 0.00 175.55 173.03 3m3r s GLU 250 N -0.56 0.48 -0.06 -0.62 2.12 0.25 -0.39 118.70 119.91 3m3r s GLU 250 Ca 0.11 -0.38 0.01 0.00 0.36 0.00 0.00 54.97 55.07 3m3r s GLU 250 Cb -0.12 0.20 0.02 0.00 0.26 0.00 0.00 34.13 34.49 3m3r s GLU 250 CO 0.02 -0.11 -0.08 0.50 -0.54 0.00 0.00 175.26 175.05 3m3r s ARG 251 N -1.34 1.20 -0.21 4.30 3.52 0.24 -1.29 118.95 125.37 3m3r s ARG 251 Ca -0.14 -0.23 -0.05 0.00 -0.13 0.00 0.00 55.73 55.18 3m3r s ARG 251 Cb -0.07 -1.11 -0.02 0.00 -1.56 0.00 0.00 34.95 32.19 3m3r s ARG 251 CO 0.02 -0.05 -0.01 0.08 -0.81 0.00 0.00 175.30 174.52 3m3r s VAL 252 N 0.89 3.81 -0.05 7.11 1.01 0.26 -0.19 120.40 133.25 3m3r s VAL 252 Ca -0.11 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.53 3m3r s VAL 252 Cb -0.15 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 3m3r s VAL 252 CO 0.01 0.42 -0.08 -0.13 0.00 0.00 0.00 175.10 175.32 3m3r s ARG 253 N 1.18 2.66 0.28 2.72 0.52 -0.36 0.38 118.95 126.33 3m3r s ARG 253 Ca 0.03 -0.61 0.06 0.00 -0.52 0.00 0.00 55.73 54.68 3m3r s ARG 253 Cb -0.14 -2.54 -0.02 0.00 0.52 0.00 0.00 34.95 32.77 3m3r s ARG 253 CO 0.01 0.64 0.39 -0.51 0.02 0.00 0.00 175.30 175.85 3m3r s ASP 254 N -0.96 6.08 -0.34 0.23 1.11 0.18 -1.03 116.67 121.93 3m3r s ASP 254 Ca 0.13 -0.08 0.01 0.00 0.18 0.00 0.00 52.55 52.79 3m3r s ASP 254 Cb -0.11 -1.55 0.09 0.00 1.07 0.00 0.00 42.92 42.42 3m3r s ASP 254 CO 0.03 -0.22 0.07 -0.62 1.18 0.00 0.00 175.17 175.61 3m3r s ASP 255 N -4.04 4.90 -0.34 0.27 2.15 0.11 -1.68 116.67 118.02 3m3r s ASP 255 Ca 0.38 -1.87 -0.15 0.00 0.43 0.00 0.00 52.55 51.34 3m3r s ASP 255 Cb -0.09 -1.69 -0.01 0.00 -0.30 0.00 0.00 42.92 40.82 3m3r s ASP 255 CO 0.29 -0.39 0.33 -0.47 -0.17 0.00 0.00 175.17 174.77 3m3r s TYR 256 N 1.06 3.22 0.02 -5.34 6.14 -0.04 -0.22 117.35 122.18 3m3r s TYR 256 Ca 0.05 -0.09 0.04 0.00 0.64 0.00 0.00 57.07 57.71 3m3r s TYR 256 Cb -0.20 -2.62 -0.03 0.00 0.42 0.00 0.00 41.96 39.52 3m3r s TYR 256 CO -0.05 -0.42 -0.09 -0.65 0.64 0.00 0.00 175.55 174.98 3m3r s GLN 257 N 1.93 2.44 -0.03 4.97 -0.21 0.21 -0.82 119.66 128.16 3m3r s GLN 257 Ca 0.10 -0.79 0.06 0.00 0.02 0.00 0.00 55.36 54.76 3m3r s GLN 257 Cb -0.17 -2.44 -0.01 0.00 1.00 0.00 0.00 33.01 31.39 3m3r s GLN 257 CO 0.11 0.58 -0.22 -0.51 -2.12 0.00 0.00 175.29 173.13 3m3r s LEU 258 N -1.48 2.03 0.01 2.90 1.43 -0.60 0.10 118.68 123.07 3m3r s LEU 258 Ca 0.17 -0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 3m3r s LEU 258 Cb -0.11 -1.19 -0.01 0.00 0.03 0.00 0.00 46.19 44.91 3m3r s LEU 258 CO 0.08 0.25 0.04 -1.38 0.23 0.00 0.00 176.35 175.57 3m3r s HIS 259 N -0.37 0.14 -0.11 0.29 -3.43 -0.41 -2.08 115.29 109.32 3m3r s HIS 259 Ca 0.04 -0.29 -0.21 0.00 -0.80 0.00 0.00 55.06 53.80 3m3r s HIS 259 Cb -0.10 -0.11 -0.04 0.00 -1.43 0.00 0.00 32.58 30.90 3m3r s HIS 259 CO 0.01 -0.21 0.60 -0.46 -2.00 0.00 0.00 174.74 172.68 3m3r s TRP 260 N -1.24 3.51 -0.07 0.38 -0.11 -0.41 -1.18 118.94 119.82 3m3r s TRP 260 Ca -0.13 1.04 -0.12 0.00 1.22 0.00 0.00 56.10 58.11 3m3r s TRP 260 Cb -0.08 -2.70 -0.08 0.00 -1.50 0.00 0.00 33.47 29.11 3m3r s TRP 260 CO 0.00 0.07 0.45 1.79 -4.62 0.00 0.00 176.95 174.64 3m3r h THR 261 N 4.82 0.32 0.00 5.86 1.35 -1.36 -3.48 112.91 120.41 3m3r h THR 261 Ca -0.39 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 3m3r h THR 261 Cb 1.18 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 3m3r h THR 261 CO 0.76 0.09 0.00 -1.54 -0.25 0.00 0.00 175.52 174.58 3m3r n SER 262 N -4.92 0.00 0.00 5.36 3.41 -1.26 -4.93 113.62 111.28 3m3r n SER 262 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 3m3r n SER 262 Cb 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3m3r n SER 262 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3m3r n THR 263 N 0.00 0.00 -3.83 6.66 -2.24 -1.26 -5.11 114.28 108.50 3m3r n THR 263 Ca 0.00 -0.28 -0.03 0.00 -2.27 0.00 0.00 64.05 61.47 3m3r n THR 263 Cb 0.00 0.83 0.01 0.00 -2.10 0.00 0.00 70.33 69.07 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 -0.97 -0.05 0.07 3.42 6.03 -1.26 -4.88 114.94 117.29 3m3r s ASN 264 Ca 0.00 -0.57 -0.13 0.00 -1.03 0.00 0.00 52.86 51.13 3m3r s ASN 264 Cb 0.00 0.48 -0.06 0.00 -3.03 0.00 0.00 41.25 38.64 3m3r s ASN 264 CO 0.00 -0.94 0.44 0.26 -2.03 0.00 0.00 177.10 174.83 3m3r s TRP 265 N -2.52 3.64 -0.05 1.54 0.52 0.18 -0.87 118.94 121.38 3m3r s TRP 265 Ca 0.18 0.92 -0.00 0.00 0.02 0.00 0.00 56.10 57.22 3m3r s TRP 265 Cb -0.02 -2.25 0.03 0.00 -1.15 0.00 0.00 33.47 30.08 3m3r s TRP 265 CO 0.04 0.55 -0.01 0.21 0.02 0.00 0.00 176.95 177.76 3m3r s LYS 266 N -1.62 0.55 0.16 4.98 2.20 -0.33 -4.44 119.74 121.24 3m3r s LYS 266 Ca 0.31 0.06 0.07 0.00 -0.36 0.00 0.00 55.97 56.05 3m3r s LYS 266 Cb -0.15 -0.78 -0.04 0.00 -1.51 0.00 0.00 37.83 35.35 3m3r s LYS 266 CO 0.17 -0.20 -0.03 0.20 -0.36 0.00 0.00 175.35 175.13 3m3r s GLY 267 N 1.43 1.75 -0.05 5.54 0.00 -0.39 -1.29 107.32 114.31 3m3r s GLY 267 Ca -0.03 -1.35 -0.05 0.00 0.00 0.00 0.00 44.72 43.29 3m3r s GLY 267 CO -0.03 -1.36 0.14 -0.51 0.00 0.00 0.00 173.10 171.34 3m3r s THR 268 N -1.63 0.01 -0.12 0.90 -4.23 0.12 0.22 115.64 110.90 3m3r s THR 268 Ca 0.26 -0.06 0.01 0.00 -1.18 0.00 0.00 61.69 60.72 3m3r s THR 268 Cb -0.10 -0.22 -0.01 0.00 1.34 0.00 0.00 72.50 73.52 3m3r s THR 268 CO 0.18 -0.03 -0.16 0.21 -0.54 0.00 0.00 174.62 174.27 3m3r s ASN 269 N -0.05 3.79 -0.22 3.99 2.47 -1.26 0.68 114.94 124.34 3m3r s ASN 269 Ca -0.01 -0.37 -0.07 0.00 0.42 0.00 0.00 52.86 52.83 3m3r s ASN 269 Cb -0.02 -1.50 -0.03 0.00 -1.45 0.00 0.00 41.25 38.25 3m3r s ASN 269 CO 0.00 0.18 0.05 -0.89 -3.72 0.00 0.00 177.10 172.72 3m3r s THR 270 N 0.27 4.39 0.44 -5.21 2.01 0.70 -4.94 115.64 113.29 3m3r s THR 270 Ca -0.11 -0.16 -0.22 0.00 0.31 0.00 0.00 61.69 61.51 3m3r s THR 270 Cb -0.16 -3.02 -0.10 0.00 0.01 0.00 0.00 72.50 69.24 3m3r s THR 270 CO 0.06 0.39 0.99 -0.54 -0.69 0.00 0.00 174.62 174.84 3m3r s LYS 271 N 1.10 4.10 -1.56 4.92 1.02 -1.26 -0.72 119.74 127.35 3m3r s LYS 271 Ca 0.04 1.27 -0.04 0.00 0.02 0.00 0.00 55.97 57.26 3m3r s LYS 271 Cb -0.14 -2.24 0.04 0.00 -0.52 0.00 0.00 37.83 34.96 3m3r s LYS 271 CO 0.03 -0.16 0.23 -0.25 -0.92 0.00 0.00 175.35 174.28 3m3r n ASP 272 N -0.59 0.05 -0.10 2.83 10.43 -1.25 -4.86 116.55 123.05 3m3r n ASP 272 Ca 0.07 -1.18 -0.10 0.00 2.57 0.00 0.00 54.79 56.14 3m3r n ASP 272 Cb 0.53 -2.07 -0.03 0.00 1.84 0.00 0.00 41.12 41.39 3m3r n ASP 272 CO 0.00 0.00 0.00 0.50 -1.07 0.00 0.00 177.20 176.63 3m3r h LYS 273 N -1.69 0.50 -5.18 -1.24 3.11 -1.25 -3.46 116.57 107.36 3m3r h LYS 273 Ca -0.64 -0.13 -0.36 0.00 -2.81 0.00 0.00 60.65 56.71 3m3r h LYS 273 Cb 1.39 -0.06 -0.16 0.00 -1.00 0.00 0.00 32.23 32.41 3m3r h LYS 273 CO 0.71 0.60 -0.73 -1.58 -2.81 0.00 0.00 179.45 175.65 3m3r s TRP 274 N -5.19 1.32 -0.10 1.91 0.51 -0.98 -5.01 118.94 111.40 3m3r s TRP 274 Ca -0.13 -0.69 -0.03 0.00 -2.12 0.00 0.00 56.10 53.13 3m3r s TRP 274 Cb 0.08 -0.67 0.05 0.00 -0.81 0.00 0.00 33.47 32.12 3m3r s TRP 274 CO 0.75 0.12 0.14 0.99 -0.51 0.00 0.00 176.95 178.44 3m3r s THR 275 N -2.97 -0.21 -0.32 2.01 2.01 -1.26 -1.23 115.64 113.67 3m3r s THR 275 Ca 0.15 0.24 -0.13 0.00 0.31 0.00 0.00 61.69 62.26 3m3r s THR 275 Cb 0.00 -0.35 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 3m3r s THR 275 CO 0.02 0.05 0.25 -1.81 -0.69 0.00 0.00 174.62 172.44 3m3r s ASP 276 N 2.25 6.08 -0.19 3.53 1.01 0.74 -4.94 116.67 125.14 3m3r s ASP 276 Ca 0.04 -0.23 -0.01 0.00 0.71 0.00 0.00 52.55 53.06 3m3r s ASP 276 Cb -0.13 -2.15 0.01 0.00 1.01 0.00 0.00 42.92 41.66 3m3r s ASP 276 CO -0.06 -0.19 -0.14 -0.60 0.21 0.00 0.00 175.17 174.38 3m3r s ARG 277 N 1.80 3.14 -0.28 8.23 3.52 -1.26 -0.60 118.95 133.50 3m3r s ARG 277 Ca 0.08 -0.75 0.02 0.00 -0.13 0.00 0.00 55.73 54.94 3m3r s ARG 277 Cb -0.17 -2.74 0.06 0.00 -1.56 0.00 0.00 34.95 30.55 3m3r s ARG 277 CO 0.11 -0.20 -0.07 0.45 -0.81 0.00 0.00 175.30 174.78 3m3r s SER 278 N 1.35 4.58 0.13 -2.12 0.15 0.47 -4.99 113.70 113.26 3m3r s SER 278 Ca 0.05 -1.42 0.06 0.00 0.70 0.00 0.00 55.95 55.34 3m3r s SER 278 Cb -0.14 -1.60 -0.04 0.00 -1.71 0.00 0.00 66.02 62.54 3m3r s SER 278 CO -0.09 -0.22 -0.01 -0.55 1.20 0.00 0.00 173.24 173.57 3m3r s SER 279 N 1.13 4.86 -0.17 5.45 0.15 -1.26 -0.68 113.70 123.19 3m3r s SER 279 Ca -0.07 -0.29 -0.14 0.00 0.70 0.00 0.00 55.95 56.15 3m3r s SER 279 Cb -0.20 -1.09 0.05 0.00 -1.71 0.00 0.00 66.02 63.07 3m3r s SER 279 CO -0.04 0.14 0.44 -0.70 1.20 0.00 0.00 173.24 174.27 3m3r s GLU 280 N -2.58 0.50 -0.17 5.44 2.12 -0.33 -4.97 118.70 118.70 3m3r s GLU 280 Ca 0.26 0.65 -0.16 0.00 0.36 0.00 0.00 54.97 56.08 3m3r s GLU 280 Cb -0.11 0.20 -0.04 0.00 0.26 0.00 0.00 34.13 34.45 3m3r s GLU 280 CO 0.18 -0.08 0.38 0.50 -0.54 0.00 0.00 175.26 175.70 3m3r s ARG 281 N 0.44 4.23 0.18 4.30 6.06 -1.26 -0.97 118.95 131.94 3m3r s ARG 281 Ca -0.02 0.21 0.09 0.00 -2.50 0.00 0.00 55.73 53.52 3m3r s ARG 281 Cb -0.04 -3.48 -0.04 0.00 0.06 0.00 0.00 34.95 31.45 3m3r s ARG 281 CO -0.02 0.09 -0.13 0.71 -2.50 0.00 0.00 175.30 173.45 3m3r s TYR 282 N 0.91 2.56 -0.14 5.12 2.02 0.23 -4.63 117.35 123.42 3m3r s TYR 282 Ca 0.19 -0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.65 3m3r s TYR 282 Cb -0.14 -1.25 -0.01 0.00 -0.40 0.00 0.00 41.96 40.16 3m3r s TYR 282 CO 0.07 0.51 -0.15 0.21 -1.57 0.00 0.00 175.55 174.62 3m3r s LYS 283 N -2.80 3.28 -0.22 -0.62 2.36 0.11 -1.99 119.74 119.85 3m3r s LYS 283 Ca 0.24 -0.73 -0.06 0.00 -2.55 0.00 0.00 55.97 52.86 3m3r s LYS 283 Cb -0.09 -2.60 -0.03 0.00 -1.05 0.00 0.00 37.83 34.06 3m3r s LYS 283 CO 0.14 0.12 0.04 0.42 1.55 0.00 0.00 175.35 177.62 3m3r s ILE 284 N 0.57 4.22 -0.36 5.43 1.01 0.20 -1.59 121.20 130.68 3m3r s ILE 284 Ca -0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.31 3m3r s ILE 284 Cb -0.16 -2.94 0.08 0.00 0.01 0.00 0.00 42.46 39.44 3m3r s ILE 284 CO 0.03 0.38 0.13 -0.62 0.00 0.00 0.00 174.94 174.86 3m3r s ASP 285 N 1.26 5.18 0.54 3.58 3.68 -0.52 -0.66 116.67 129.74 3m3r s ASP 285 Ca 0.04 -1.59 0.32 0.00 2.13 0.00 0.00 52.55 53.45 3m3r s ASP 285 Cb -0.15 -1.81 1.31 0.00 -1.45 0.00 0.00 42.92 40.83 3m3r s ASP 285 CO 0.03 -0.42 1.97 -0.50 0.13 0.00 0.00 175.17 176.38 3m3r h TRP 286 N 8.09 0.00 0.07 -5.34 4.06 -1.68 0.26 115.95 121.41 3m3r h TRP 286 Ca -0.18 0.00 -0.28 0.00 2.06 0.00 0.00 58.89 60.49 3m3r h TRP 286 Cb 1.06 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.20 3m3r h TRP 286 CO 0.59 0.03 -1.50 0.93 -3.56 0.00 0.00 178.44 174.93 3m3r h GLU 287 N 0.00 0.15 0.00 0.49 5.08 -1.94 -3.35 114.58 115.02 3m3r h GLU 287 Ca -0.00 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3m3r h GLU 287 Cb 0.54 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3m3r h GLU 287 CO 0.00 1.13 -0.06 0.87 -1.00 0.00 0.00 179.01 179.95 3m3r h LYS 288 N -0.47 0.00 -5.62 2.33 1.57 -1.93 -3.48 116.57 108.98 3m3r h LYS 288 Ca -0.35 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.20 3m3r h LYS 288 Cb 1.66 0.00 0.12 0.00 0.08 0.00 0.00 32.23 34.09 3m3r h LYS 288 CO -0.03 0.00 -0.66 0.39 -0.57 0.00 0.00 179.45 178.58 3m3r n GLU 289 N -2.53 -1.79 -3.64 3.15 1.02 0.88 -5.03 120.64 112.70 3m3r n GLU 289 Ca 0.05 0.96 -0.16 0.00 -0.02 0.00 0.00 57.16 57.99 3m3r n GLU 289 Cb 0.47 -5.37 -0.07 0.00 -0.02 0.00 0.00 31.44 26.44 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 -4.33 0.86 -0.01 3.49 -1.05 -1.00 -4.86 118.70 111.81 3m3r s GLU 290 Ca 0.32 0.06 0.05 0.00 -0.15 0.00 0.00 54.97 55.26 3m3r s GLU 290 Cb -0.06 0.40 -0.03 0.00 -0.44 0.00 0.00 34.13 34.00 3m3r s GLU 290 CO 0.77 -0.25 -0.16 -1.64 0.95 0.00 0.00 175.26 174.92 3m3r s MET 291 N -1.21 2.31 0.05 -4.83 -1.94 -1.26 -1.43 119.30 110.99 3m3r s MET 291 Ca -0.12 -0.83 -0.03 0.00 -1.71 0.00 0.00 55.69 53.01 3m3r s MET 291 Cb -0.03 -2.28 -0.03 0.00 2.01 0.00 0.00 34.83 34.50 3m3r s MET 291 CO 0.07 0.59 0.02 0.95 -0.01 0.00 0.00 175.02 176.63 3m3r s THR 292 N -0.81 0.19 0.00 2.05 -4.23 -0.62 -4.96 115.64 107.26 3m3r s THR 292 Ca 0.13 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 3m3r s THR 292 Cb -0.11 -1.31 0.00 0.00 1.34 0.00 0.00 72.50 72.43 3m3r s THR 292 CO 0.03 -0.85 0.00 -0.46 -0.54 0.00 0.00 174.62 172.79