#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bua n ARG 40 N 0.00 -4.32 -2.17 4.33 1.74 -1.26 -5.02 116.66 109.96 2bua n ARG 40 Ca 0.00 -1.34 -0.27 0.00 -0.77 0.00 0.00 57.85 55.47 2bua n ARG 40 Cb 0.00 -1.84 0.06 0.00 -1.02 0.00 0.00 32.46 29.66 2bua n ARG 40 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2bua s ARG 41 N -4.81 2.40 0.29 5.56 0.52 -1.24 -4.80 118.95 116.86 2bua s ARG 41 Ca 0.61 -0.07 0.09 0.00 -0.52 0.00 0.00 55.73 55.84 2bua s ARG 41 Cb -0.11 -2.15 -0.04 0.00 0.52 0.00 0.00 34.95 33.17 2bua s ARG 41 CO 0.52 -1.14 0.08 0.95 0.02 0.00 0.00 175.30 175.73 2bua s THR 42 N -3.25 3.49 -0.27 0.02 -4.23 -1.26 0.51 115.64 110.67 2bua s THR 42 Ca 0.59 -1.75 -0.29 0.00 -1.18 0.00 0.00 61.69 59.06 2bua s THR 42 Cb -0.11 -2.99 -0.00 0.00 1.34 0.00 0.00 72.50 70.74 2bua s THR 42 CO 0.46 -0.31 1.33 -0.47 -0.54 0.00 0.00 174.62 175.09 2bua s TYR 43 N -2.32 2.65 0.47 3.99 5.04 -1.26 -4.85 117.35 121.07 2bua s TYR 43 Ca 0.34 0.86 0.02 0.00 -2.44 0.00 0.00 57.07 55.84 2bua s TYR 43 Cb -0.05 -3.84 0.01 0.00 0.35 0.00 0.00 41.96 38.42 2bua s TYR 43 CO 0.22 -1.85 0.68 0.95 -1.34 0.00 0.00 175.55 174.21 2bua s THR 44 N 4.29 3.55 0.24 4.34 -4.23 -1.26 -3.95 115.64 118.62 2bua s THR 44 Ca 0.58 -0.62 -0.07 0.00 -1.18 0.00 0.00 61.69 60.40 2bua s THR 44 Cb -0.18 -3.30 0.24 0.00 1.34 0.00 0.00 72.50 70.59 2bua s THR 44 CO 0.22 -0.20 1.91 0.25 -0.54 0.00 0.00 174.62 176.26 2bua h LEU 45 N 0.35 1.11 -0.84 4.79 5.85 -1.94 -1.51 115.31 123.12 2bua h LEU 45 Ca -0.45 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.18 2bua h LEU 45 Cb 1.27 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 2bua h LEU 45 CO 0.55 0.81 0.24 0.74 -0.34 0.00 0.00 178.44 180.44 2bua h THR 46 N 1.30 1.25 -1.00 1.05 2.02 -1.98 0.16 112.91 115.72 2bua h THR 46 Ca 0.35 -0.86 0.02 0.00 0.77 0.00 0.00 66.41 66.68 2bua h THR 46 Cb -0.13 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 66.67 2bua h THR 46 CO -0.07 0.34 0.66 0.44 0.37 0.00 0.00 175.52 177.26 2bua h ASP 47 N 1.06 1.13 0.34 4.18 3.32 -1.69 -0.04 116.42 124.72 2bua h ASP 47 Ca 0.23 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 2bua h ASP 47 Cb 0.28 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2bua h ASP 47 CO -0.01 0.81 -0.16 0.22 -1.72 0.00 0.00 179.24 178.38 2bua h TYR 48 N 1.33 -0.42 -0.57 4.55 3.20 -0.75 -1.73 116.97 122.58 2bua h TYR 48 Ca 0.37 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.36 2bua h TYR 48 Cb -0.13 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 2bua h TYR 48 CO -0.00 -0.14 0.39 -0.07 -1.64 0.00 0.00 178.16 176.70 2bua h LEU 49 N -1.04 0.20 -1.67 2.82 3.38 -0.64 -2.23 115.31 116.14 2bua h LEU 49 Ca -0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2bua h LEU 49 Cb 0.47 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2bua h LEU 49 CO 0.08 0.11 -0.12 0.29 0.09 0.00 0.00 178.44 178.89 2bua n LYS 50 N -4.44 2.02 -3.86 1.13 4.76 -0.04 -4.92 118.16 112.82 2bua n LYS 50 Ca 0.10 -1.67 -0.28 0.00 -2.87 0.00 0.00 58.31 53.59 2bua n LYS 50 Cb 0.49 -1.47 0.03 0.00 -1.84 0.00 0.00 35.03 32.24 2bua n LYS 50 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2bua n SER 51 N 0.97 -4.18 0.31 4.39 7.64 -0.71 -4.82 113.62 117.21 2bua n SER 51 Ca 0.13 -0.78 0.19 0.00 1.01 0.00 0.00 58.87 59.42 2bua n SER 51 Cb 0.56 -3.97 0.98 0.00 -1.01 0.00 0.00 64.21 60.76 2bua n SER 51 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2bua h THR 52 N -2.08 0.14 -3.57 0.44 1.35 -1.67 -3.31 112.91 104.21 2bua h THR 52 Ca -0.59 -0.23 -0.72 0.00 -0.55 0.00 0.00 66.41 64.32 2bua h THR 52 Cb 1.37 1.19 -0.32 0.00 -1.73 0.00 0.00 68.15 68.67 2bua h THR 52 CO 0.65 0.02 -0.26 -0.36 -0.25 0.00 0.00 175.52 175.31 2bua s PHE 53 N -4.07 3.51 0.06 4.73 0.08 -1.26 -5.06 117.98 115.96 2bua s PHE 53 Ca -0.03 -2.38 -0.31 0.00 0.12 0.00 0.00 56.93 54.33 2bua s PHE 53 Cb 0.12 -3.40 -0.06 0.00 -0.57 0.00 0.00 43.02 39.11 2bua s PHE 53 CO 0.49 -0.91 1.21 0.50 -0.10 0.00 0.00 175.22 176.40 2bua s ARG 54 N 0.28 4.42 -0.32 0.44 6.06 -1.25 -5.02 118.95 123.57 2bua s ARG 54 Ca 0.15 1.78 -0.10 0.00 -2.50 0.00 0.00 55.73 55.05 2bua s ARG 54 Cb -0.19 -3.35 -0.01 0.00 0.06 0.00 0.00 34.95 31.46 2bua s ARG 54 CO -0.04 -0.27 0.17 0.08 -2.50 0.00 0.00 175.30 172.74 2bua s VAL 55 N 1.11 4.73 0.48 7.11 1.01 -1.26 -4.62 120.40 128.96 2bua s VAL 55 Ca 0.59 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 2bua s VAL 55 Cb -0.30 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2bua s VAL 55 CO 0.29 0.03 0.82 -0.54 0.00 0.00 0.00 175.10 175.70 2bua s LYS 56 N 1.63 3.62 0.07 2.72 1.02 -1.26 -5.10 119.74 122.43 2bua s LYS 56 Ca 0.05 0.35 0.01 0.00 0.02 0.00 0.00 55.97 56.40 2bua s LYS 56 Cb -0.17 -2.34 -0.01 0.00 -0.52 0.00 0.00 37.83 34.80 2bua s LYS 56 CO 0.07 -0.21 0.05 1.97 -0.92 0.00 0.00 175.35 176.31 2bua n PHE 57 N -2.07 -0.13 -3.39 3.18 1.16 -1.26 -4.88 117.46 110.07 2bua n PHE 57 Ca 0.02 -0.53 -0.16 0.00 -1.87 0.00 0.00 57.45 54.91 2bua n PHE 57 Cb 0.55 0.05 -0.09 0.00 -1.61 0.00 0.00 39.48 38.37 2bua n PHE 57 CO 0.00 0.00 0.00 -0.47 -1.87 0.00 0.00 176.76 174.42 2bua s TYR 58 N -2.20 -0.54 -0.25 2.97 6.14 -1.26 -4.94 117.35 117.27 2bua s TYR 58 Ca 0.07 -0.06 -0.11 0.00 0.64 0.00 0.00 57.07 57.61 2bua s TYR 58 Cb 0.00 -0.40 -0.05 0.00 0.42 0.00 0.00 41.96 41.93 2bua s TYR 58 CO 0.05 -0.91 0.20 0.99 0.64 0.00 0.00 175.55 176.52 2bua s THR 59 N 2.39 5.32 0.16 4.34 2.01 -1.26 -5.08 115.64 123.53 2bua s THR 59 Ca 0.09 0.24 0.03 0.00 0.31 0.00 0.00 61.69 62.37 2bua s THR 59 Cb -0.14 -3.54 -0.05 0.00 0.01 0.00 0.00 72.50 68.79 2bua s THR 59 CO -0.31 0.30 -0.06 -1.48 -0.69 0.00 0.00 174.62 172.38 2bua s LEU 60 N 1.34 2.38 -0.14 4.42 0.05 -1.26 -4.44 118.68 121.03 2bua s LEU 60 Ca 0.09 -1.08 -0.00 0.00 0.05 0.00 0.00 54.13 53.18 2bua s LEU 60 Cb -0.14 -0.25 0.03 0.00 -2.05 0.00 0.00 46.19 43.78 2bua s LEU 60 CO 0.07 -0.43 -0.08 -1.10 -0.55 0.00 0.00 176.35 174.26 2bua s GLN 61 N -3.81 1.68 0.22 1.48 -0.21 -0.63 -4.95 119.66 113.44 2bua s GLN 61 Ca 0.20 -0.41 -0.30 0.00 0.02 0.00 0.00 55.36 54.87 2bua s GLN 61 Cb 0.04 -1.84 -0.09 0.00 1.00 0.00 0.00 33.01 32.12 2bua s GLN 61 CO 0.02 -0.31 1.13 -1.58 -2.12 0.00 0.00 175.29 172.43 2bua s TRP 62 N 1.63 3.54 0.00 0.91 0.52 -1.26 -0.54 118.94 123.73 2bua s TRP 62 Ca 0.04 1.59 0.00 0.00 0.02 0.00 0.00 56.10 57.75 2bua s TRP 62 Cb -0.13 -3.32 0.00 0.00 -1.15 0.00 0.00 33.47 28.86 2bua s TRP 62 CO -0.09 -0.75 0.70 0.44 0.02 0.00 0.00 176.95 177.28 2bua n ILE 63 N 1.90 0.49 -3.44 2.03 -5.35 -0.87 -4.93 119.36 109.20 2bua n ILE 63 Ca 0.02 -0.58 0.00 0.00 -0.27 0.00 0.00 62.75 61.91 2bua n ILE 63 Cb 0.45 0.84 0.00 0.00 -1.74 0.00 0.00 39.64 39.19 2bua n ILE 63 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2bua n SER 64 N -0.25 0.00 -0.09 7.28 3.41 -1.22 -4.95 113.62 117.80 2bua n SER 64 Ca 0.00 -0.93 0.14 0.00 -0.26 0.00 0.00 58.87 57.82 2bua n SER 64 Cb 0.27 0.00 0.67 0.00 -0.26 0.00 0.00 64.21 64.89 2bua n SER 64 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2bua n ASP 65 N -0.46 0.35 0.00 4.04 5.68 -1.26 -2.60 116.55 122.30 2bua n ASP 65 Ca 0.00 -0.54 0.00 0.00 -0.50 0.00 0.00 54.79 53.75 2bua n ASP 65 Cb 0.00 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 2bua n ASP 65 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2bua n HIS 66 N -1.00 0.00 -4.26 2.11 1.44 -1.26 -4.32 115.22 107.93 2bua n HIS 66 Ca 0.15 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.66 2bua n HIS 66 Cb 0.26 0.06 -0.12 0.00 0.12 0.00 0.00 29.99 30.31 2bua n HIS 66 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2bua s GLU 67 N 0.00 1.06 -0.01 -1.40 2.02 -1.26 -0.46 118.70 118.65 2bua s GLU 67 Ca 0.00 -1.21 -0.21 0.00 0.02 0.00 0.00 54.97 53.57 2bua s GLU 67 Cb 0.00 -1.09 0.04 0.00 0.10 0.00 0.00 34.13 33.19 2bua s GLU 67 CO 0.00 0.23 0.46 1.52 0.02 0.00 0.00 175.26 177.49 2bua s TYR 68 N -1.76 -0.37 0.08 1.61 -0.85 -0.67 -2.05 117.35 113.34 2bua s TYR 68 Ca 0.08 0.55 -0.02 0.00 -0.52 0.00 0.00 57.07 57.16 2bua s TYR 68 Cb -0.07 0.24 -0.05 0.00 0.38 0.00 0.00 41.96 42.46 2bua s TYR 68 CO 0.04 -0.51 0.27 -0.51 -1.52 0.00 0.00 175.55 173.31 2bua s LEU 69 N -1.46 4.33 -0.13 -3.49 1.43 0.30 -0.63 118.68 119.03 2bua s LEU 69 Ca -0.11 0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 53.34 2bua s LEU 69 Cb -0.02 -3.02 0.06 0.00 0.03 0.00 0.00 46.19 43.23 2bua s LEU 69 CO 0.04 0.15 0.27 -0.47 0.23 0.00 0.00 176.35 176.57 2bua s TYR 70 N -1.53 -0.42 -0.41 0.29 5.04 -0.34 -1.60 117.35 118.39 2bua s TYR 70 Ca 0.36 0.95 -0.26 0.00 -2.44 0.00 0.00 57.07 55.68 2bua s TYR 70 Cb -0.13 0.03 0.02 0.00 0.35 0.00 0.00 41.96 42.23 2bua s TYR 70 CO 0.25 -0.32 0.95 0.21 -1.34 0.00 0.00 175.55 175.31 2bua s LYS 71 N 1.97 3.74 -0.26 4.97 2.20 -1.26 -1.04 119.74 130.06 2bua s LYS 71 Ca -0.03 0.46 0.01 0.00 -0.36 0.00 0.00 55.97 56.05 2bua s LYS 71 Cb -0.11 -3.85 0.07 0.00 -1.51 0.00 0.00 37.83 32.43 2bua s LYS 71 CO -0.09 -1.08 -0.01 -1.14 -0.36 0.00 0.00 175.35 172.67 2bua s GLN 72 N 3.67 1.38 -1.01 4.03 0.74 0.17 -4.75 119.66 123.90 2bua s GLN 72 Ca 0.39 -1.09 -0.05 0.00 0.05 0.00 0.00 55.36 54.67 2bua s GLN 72 Cb -0.11 -2.54 0.01 0.00 1.10 0.00 0.00 33.01 31.47 2bua s GLN 72 CO 0.22 -0.71 0.65 0.39 -0.55 0.00 0.00 175.29 175.29 2bua n GLU 73 N 4.67 -4.62 -1.11 1.67 1.02 -1.26 -2.08 120.64 118.93 2bua n GLU 73 Ca -0.08 0.60 -0.04 0.00 -0.02 0.00 0.00 57.16 57.63 2bua n GLU 73 Cb 0.44 -4.88 -0.02 0.00 -0.02 0.00 0.00 31.44 26.96 2bua n GLU 73 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2bua n ASN 74 N -1.45 -4.12 -4.58 1.62 3.02 -1.26 -4.79 115.26 103.70 2bua n ASN 74 Ca -0.03 0.09 -0.34 0.00 -0.03 0.00 0.00 54.58 54.27 2bua n ASN 74 Cb 0.56 -1.95 -0.11 0.00 -0.61 0.00 0.00 39.78 37.67 2bua n ASN 74 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2bua s ASN 75 N -2.40 4.63 -0.37 6.41 -0.87 -0.88 -3.72 114.94 117.74 2bua s ASN 75 Ca 0.00 -0.03 -0.14 0.00 -1.57 0.00 0.00 52.86 51.12 2bua s ASN 75 Cb 0.00 -1.16 -0.00 0.00 -0.02 0.00 0.00 41.25 40.07 2bua s ASN 75 CO 0.00 0.36 0.28 -0.63 -2.57 0.00 0.00 177.10 174.54 2bua s ILE 76 N -0.81 5.26 0.07 0.60 1.01 -0.50 0.42 121.20 127.25 2bua s ILE 76 Ca 0.12 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.42 2bua s ILE 76 Cb -0.11 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 2bua s ILE 76 CO 0.02 -0.14 0.09 -0.76 0.00 0.00 0.00 174.94 174.15 2bua s LEU 77 N 1.73 3.87 -0.35 2.97 1.43 -0.21 -0.16 118.68 127.96 2bua s LEU 77 Ca 0.06 0.04 -0.06 0.00 -1.03 0.00 0.00 54.13 53.13 2bua s LEU 77 Cb -0.18 -2.51 0.05 0.00 0.03 0.00 0.00 46.19 43.58 2bua s LEU 77 CO 0.10 0.18 0.11 -0.22 0.23 0.00 0.00 176.35 176.76 2bua s LEU 78 N -2.33 4.39 0.02 1.79 2.96 -0.02 -1.20 118.68 124.30 2bua s LEU 78 Ca 0.29 -1.20 -0.09 0.00 -0.22 0.00 0.00 54.13 52.91 2bua s LEU 78 Cb -0.12 -1.87 -0.05 0.00 0.50 0.00 0.00 46.19 44.65 2bua s LEU 78 CO 0.22 -0.35 0.32 -0.36 -1.32 0.00 0.00 176.35 174.86 2bua s PHE 79 N 1.39 3.60 -0.38 5.38 0.08 0.20 -2.13 117.98 126.11 2bua s PHE 79 Ca -0.01 0.70 -0.06 0.00 0.12 0.00 0.00 56.93 57.68 2bua s PHE 79 Cb -0.20 -2.08 0.08 0.00 -0.57 0.00 0.00 43.02 40.25 2bua s PHE 79 CO 0.02 0.59 0.18 1.21 -0.10 0.00 0.00 175.22 177.12 2bua s ASN 80 N -1.60 5.36 0.43 1.36 3.84 -0.87 -1.67 114.94 121.79 2bua s ASN 80 Ca 0.28 -1.54 0.20 0.00 0.21 0.00 0.00 52.86 52.00 2bua s ASN 80 Cb -0.14 -1.88 1.13 0.00 -0.55 0.00 0.00 41.25 39.82 2bua s ASN 80 CO 0.16 -0.46 1.83 0.00 -2.79 0.00 0.00 177.10 175.84 2bua h ALA 81 N 8.22 2.29 0.69 1.71 0.00 -1.09 0.24 119.26 131.31 2bua h ALA 81 Ca -0.20 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2bua h ALA 81 Cb 1.07 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.86 2bua h ALA 81 CO 0.68 -0.61 -0.34 0.93 0.00 0.00 0.00 179.25 179.91 2bua h GLU 82 N 0.36 -0.90 -0.01 0.00 5.08 -1.94 -3.32 114.58 113.85 2bua h GLU 82 Ca 0.50 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.93 2bua h GLU 82 Cb 1.34 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.80 2bua h GLU 82 CO -0.19 -0.60 -0.33 0.66 -1.00 0.00 0.00 179.01 177.54 2bua n TYR 83 N -4.56 0.00 -0.03 4.33 4.01 -1.11 -4.96 117.16 114.84 2bua n TYR 83 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 2bua n TYR 83 Cb 0.37 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 2bua n TYR 83 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2bua n GLY 84 N 1.37 1.79 3.80 2.72 0.00 0.82 -4.97 105.19 110.71 2bua n GLY 84 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2bua n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bua s ASN 85 N -3.20 6.89 0.20 1.61 4.22 -1.25 -4.75 114.94 118.66 2bua s ASN 85 Ca 0.00 1.85 0.05 0.00 -2.14 0.00 0.00 52.86 52.63 2bua s ASN 85 Cb 0.00 -2.56 -0.05 0.00 1.28 0.00 0.00 41.25 39.92 2bua s ASN 85 CO 0.00 -0.39 -0.09 -0.94 -2.04 0.00 0.00 177.10 173.64 2bua s SER 86 N -1.86 2.15 0.05 3.54 1.04 -1.26 -2.05 113.70 115.31 2bua s SER 86 Ca 0.59 -1.08 0.01 0.00 0.48 0.00 0.00 55.95 55.95 2bua s SER 86 Cb -0.16 -0.06 -0.03 0.00 0.10 0.00 0.00 66.02 65.87 2bua s SER 86 CO 0.20 -0.32 -0.05 -0.94 0.98 0.00 0.00 173.24 173.11 2bua s SER 87 N -3.28 0.64 -0.02 7.02 1.04 -0.91 -4.96 113.70 113.24 2bua s SER 87 Ca 0.22 -0.74 -0.30 0.00 0.48 0.00 0.00 55.95 55.61 2bua s SER 87 Cb 0.02 0.11 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 2bua s SER 87 CO 0.06 -0.38 1.24 -0.63 0.98 0.00 0.00 173.24 174.50 2bua s ILE 88 N -2.49 4.09 -0.20 -1.02 1.01 -1.26 -0.84 121.20 120.49 2bua s ILE 88 Ca -0.03 1.45 0.15 0.00 0.00 0.00 0.00 60.65 62.22 2bua s ILE 88 Cb -0.02 -3.93 -0.24 0.00 0.01 0.00 0.00 42.46 38.28 2bua s ILE 88 CO -0.04 0.03 0.06 0.33 0.00 0.00 0.00 174.94 175.32 2bua n PHE 89 N 4.93 0.07 -3.19 3.97 -0.00 0.77 -4.88 117.46 119.13 2bua n PHE 89 Ca 0.11 0.02 0.02 0.00 -0.00 0.00 0.00 57.45 57.60 2bua n PHE 89 Cb 0.46 -1.01 -0.02 0.00 -0.00 0.00 0.00 39.48 38.90 2bua n PHE 89 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 2bua s LEU 90 N -5.70 -1.26 0.60 -2.13 2.96 -0.80 -4.97 118.68 107.38 2bua s LEU 90 Ca -0.14 0.79 -0.19 0.00 -0.22 0.00 0.00 54.13 54.37 2bua s LEU 90 Cb 0.07 2.00 -0.04 0.00 0.50 0.00 0.00 46.19 48.72 2bua s LEU 90 CO 0.79 -0.27 1.13 -0.62 -1.32 0.00 0.00 176.35 176.07 2bua n GLU 91 N 5.42 1.10 0.33 1.98 1.02 -1.26 -1.42 120.64 127.82 2bua n GLU 91 Ca -0.02 0.42 0.20 0.00 -0.02 0.00 0.00 57.16 57.75 2bua n GLU 91 Cb 0.51 -2.35 1.09 0.00 -0.02 0.00 0.00 31.44 30.67 2bua n GLU 91 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 2bua h ASN 92 N 0.68 0.00 -1.64 1.62 7.08 -1.87 -3.22 115.58 118.23 2bua h ASN 92 Ca -0.49 0.00 -0.77 0.00 -3.08 0.00 0.00 56.30 51.96 2bua h ASN 92 Cb 1.35 0.00 -0.17 0.00 -2.08 0.00 0.00 38.32 37.41 2bua h ASN 92 CO 0.53 0.00 1.83 -1.54 -2.08 0.00 0.00 177.43 176.17 2bua n SER 93 N -3.06 5.61 0.00 6.14 3.41 -1.26 -3.38 113.62 121.07 2bua n SER 93 Ca -0.03 -3.18 0.00 0.00 -0.26 0.00 0.00 58.87 55.41 2bua n SER 93 Cb 0.17 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 62.70 2bua n SER 93 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2bua n THR 94 N 2.77 0.00 0.08 6.66 -1.04 -1.22 -4.87 114.28 116.67 2bua n THR 94 Ca 0.39 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.36 2bua n THR 94 Cb 0.34 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.78 2bua n THR 94 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 2bua h PHE 95 N 0.00 0.00 -0.90 -1.42 0.04 -1.78 -3.36 116.94 109.52 2bua h PHE 95 Ca 0.00 0.00 0.34 0.00 2.80 0.00 0.00 57.97 61.11 2bua h PHE 95 Cb 0.00 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 38.02 2bua h PHE 95 CO 0.00 0.85 0.53 -0.25 -0.60 0.00 0.00 178.31 178.84 2bua n ASP 96 N -3.31 0.23 -3.49 2.17 8.00 -1.26 -3.37 116.55 115.52 2bua n ASP 96 Ca 0.00 1.20 -0.28 0.00 0.71 0.00 0.00 54.79 56.42 2bua n ASP 96 Cb 0.88 -0.59 -0.11 0.00 -0.02 0.00 0.00 41.12 41.28 2bua n ASP 96 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2bua s GLU 97 N -5.05 0.97 -0.31 -1.24 1.03 -1.26 -4.91 118.70 107.93 2bua s GLU 97 Ca -0.06 -1.96 0.18 0.00 0.03 0.00 0.00 54.97 53.16 2bua s GLU 97 Cb 0.25 -1.65 0.47 0.00 -0.80 0.00 0.00 34.13 32.41 2bua s GLU 97 CO 0.62 -1.30 1.04 1.28 -1.33 0.00 0.00 175.26 175.57 2bua n LEU 98 N 3.23 2.08 0.00 1.83 4.77 -1.22 -4.95 117.00 122.74 2bua n LEU 98 Ca 0.21 -3.68 0.00 0.00 -0.03 0.00 0.00 56.01 52.51 2bua n LEU 98 Cb 0.42 0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 2bua n LEU 98 CO 0.13 1.47 0.00 0.61 -1.33 0.00 0.00 177.39 178.28 2bua n GLY 99 N -0.35 2.42 0.00 -0.72 0.00 -1.26 -4.77 105.19 100.50 2bua n GLY 99 Ca 0.14 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2bua n GLY 99 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2bua n TYR 100 N 0.00 0.00 -2.22 1.61 0.18 -1.26 -5.14 117.16 110.33 2bua n TYR 100 Ca 0.00 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.37 2bua n TYR 100 Cb 0.00 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 38.93 2bua n TYR 100 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 2bua s SER 101 N 2.00 6.90 -0.75 9.48 0.01 -1.26 -4.84 113.70 125.23 2bua s SER 101 Ca 0.00 2.42 -0.08 0.00 1.31 0.00 0.00 55.95 59.60 2bua s SER 101 Cb 0.00 -2.61 0.20 0.00 0.21 0.00 0.00 66.02 63.81 2bua s SER 101 CO 0.00 -0.51 0.63 -0.89 0.41 0.00 0.00 173.24 172.88 2bua s THR 102 N -0.07 4.68 0.33 1.44 2.01 -1.26 -4.37 115.64 118.41 2bua s THR 102 Ca 0.55 -2.83 0.38 0.00 0.31 0.00 0.00 61.69 60.10 2bua s THR 102 Cb -0.37 -3.95 0.40 0.00 0.01 0.00 0.00 72.50 68.60 2bua s THR 102 CO 0.40 -0.97 2.15 -0.55 -0.69 0.00 0.00 174.62 174.95 2bua h ASN 103 N 7.27 0.00 -4.81 3.53 -1.07 -1.85 -3.46 115.58 115.19 2bua h ASN 103 Ca 0.06 0.00 0.02 0.00 0.07 0.00 0.00 56.30 56.45 2bua h ASN 103 Cb 0.98 0.00 -0.15 0.00 -2.07 0.00 0.00 38.32 37.08 2bua h ASN 103 CO 0.75 0.00 0.32 -0.62 0.07 0.00 0.00 177.43 177.95 2bua s ASP 104 N -5.22 -0.51 0.07 6.14 -1.08 -1.11 -5.02 116.67 109.94 2bua s ASP 104 Ca -0.02 0.16 0.02 0.00 -0.52 0.00 0.00 52.55 52.19 2bua s ASP 104 Cb 0.11 0.50 -0.03 0.00 -1.46 0.00 0.00 42.92 42.03 2bua s ASP 104 CO 0.44 -0.74 -0.07 -0.72 0.52 0.00 0.00 175.17 174.60 2bua s TYR 105 N -2.87 0.75 -0.20 -5.34 -0.85 -1.26 0.05 117.35 107.64 2bua s TYR 105 Ca -0.00 -0.71 -0.04 0.00 -0.52 0.00 0.00 57.07 55.79 2bua s TYR 105 Cb -0.01 -0.45 0.10 0.00 0.38 0.00 0.00 41.96 41.98 2bua s TYR 105 CO -0.06 -0.13 0.31 0.45 -1.52 0.00 0.00 175.55 174.60 2bua s SER 106 N -2.30 0.51 -0.08 -0.18 0.15 -0.46 -4.96 113.70 106.38 2bua s SER 106 Ca 0.01 0.30 -0.20 0.00 0.70 0.00 0.00 55.95 56.75 2bua s SER 106 Cb -0.02 0.85 -0.04 0.00 -1.71 0.00 0.00 66.02 65.09 2bua s SER 106 CO -0.02 -0.28 0.57 -0.69 1.20 0.00 0.00 173.24 174.01 2bua s VAL 107 N 2.46 5.10 0.69 4.45 1.01 -1.26 0.13 120.40 132.98 2bua s VAL 107 Ca 0.06 1.16 -0.17 0.00 0.00 0.00 0.00 61.98 63.04 2bua s VAL 107 Cb -0.14 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.33 2bua s VAL 107 CO -0.13 0.32 1.13 -1.54 0.00 0.00 0.00 175.10 174.88 2bua n SER 108 N 3.54 1.23 0.23 3.32 3.41 -0.75 -4.89 113.62 119.72 2bua n SER 108 Ca -0.05 0.74 0.07 0.00 -0.26 0.00 0.00 58.87 59.37 2bua n SER 108 Cb 0.51 -1.48 0.58 0.00 -0.26 0.00 0.00 64.21 63.56 2bua n SER 108 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2bua h PRO 109 N 0.06 0.03 -0.06 4.33 0.13 -1.81 -1.64 132.00 133.04 2bua h PRO 109 Ca -0.49 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2bua h PRO 109 Cb 1.34 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2bua h PRO 109 CO 0.50 0.09 0.00 -0.40 -0.23 0.00 0.00 178.00 177.95 2bua n ASP 110 N -4.46 0.61 -1.40 1.44 5.75 -1.15 -4.86 116.55 112.47 2bua n ASP 110 Ca -0.02 -1.55 -0.18 0.00 -0.01 0.00 0.00 54.79 53.03 2bua n ASP 110 Cb 0.14 -0.04 -0.08 0.00 -1.03 0.00 0.00 41.12 40.11 2bua n ASP 110 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2bua n ARG 111 N -0.37 -1.51 0.07 0.11 1.74 -0.62 -4.86 116.66 111.22 2bua n ARG 111 Ca 0.14 1.14 0.02 0.00 -0.77 0.00 0.00 57.85 58.39 2bua n ARG 111 Cb 0.16 -5.54 -0.04 0.00 -1.02 0.00 0.00 32.46 26.02 2bua n ARG 111 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2bua h GLN 112 N 0.00 0.00 -4.72 5.56 4.20 -1.90 -3.46 115.11 114.78 2bua h GLN 112 Ca -0.37 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.05 2bua h GLN 112 Cb 1.31 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.95 2bua h GLN 112 CO 0.55 0.30 -0.62 -0.06 -0.67 0.00 0.00 178.83 178.33 2bua s PHE 113 N -2.99 1.31 -0.05 2.96 0.08 -1.26 -1.54 117.98 116.48 2bua s PHE 113 Ca -0.01 -1.26 -0.06 0.00 0.12 0.00 0.00 56.93 55.72 2bua s PHE 113 Cb 0.08 -0.71 0.01 0.00 -0.57 0.00 0.00 43.02 41.84 2bua s PHE 113 CO 0.79 -0.48 0.15 -1.50 -0.10 0.00 0.00 175.22 174.08 2bua s ILE 114 N -3.95 0.01 -0.15 0.64 2.07 -0.78 -1.81 121.20 117.24 2bua s ILE 114 Ca 0.37 -0.10 -0.06 0.00 -1.41 0.00 0.00 60.65 59.45 2bua s ILE 114 Cb 0.07 -0.25 -0.04 0.00 0.13 0.00 0.00 42.46 42.37 2bua s ILE 114 CO 0.12 -0.06 0.05 -0.22 -1.91 0.00 0.00 174.94 172.92 2bua s LEU 115 N -0.13 3.78 -0.22 8.50 2.96 0.12 -0.93 118.68 132.76 2bua s LEU 115 Ca -0.02 0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 53.98 2bua s LEU 115 Cb -0.02 -1.93 -0.00 0.00 0.50 0.00 0.00 46.19 44.74 2bua s LEU 115 CO 0.00 0.25 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.87 2bua s PHE 116 N -0.10 2.95 -0.21 5.38 2.99 -0.06 -1.35 117.98 127.58 2bua s PHE 116 Ca 0.06 -1.08 -0.10 0.00 0.00 0.00 0.00 56.93 55.81 2bua s PHE 116 Cb -0.12 -2.08 -0.05 0.00 0.00 0.00 0.00 43.02 40.76 2bua s PHE 116 CO 0.01 -0.60 0.14 -2.00 -0.00 0.00 0.00 175.22 172.78 2bua s GLU 117 N 1.44 4.17 0.29 0.44 2.12 0.11 -1.68 118.70 125.59 2bua s GLU 117 Ca 0.05 -0.22 -0.15 0.00 0.36 0.00 0.00 54.97 55.01 2bua s GLU 117 Cb -0.14 -3.44 0.01 0.00 0.26 0.00 0.00 34.13 30.82 2bua s GLU 117 CO -0.04 0.26 0.60 1.52 -0.54 0.00 0.00 175.26 177.05 2bua s TYR 118 N 0.48 0.22 -1.00 5.30 1.13 -0.62 -2.32 117.35 120.55 2bua s TYR 118 Ca 0.08 -0.65 -0.06 0.00 -1.41 0.00 0.00 57.07 55.03 2bua s TYR 118 Cb -0.11 0.42 0.01 0.00 -1.10 0.00 0.00 41.96 41.17 2bua s TYR 118 CO -0.01 -1.17 0.87 -1.71 -2.51 0.00 0.00 175.55 171.02 2bua n ASN 119 N -0.66 -4.85 -4.71 -0.18 5.15 -1.26 -0.40 115.26 108.35 2bua n ASN 119 Ca -0.03 -0.41 -0.42 0.00 -0.60 0.00 0.00 54.58 53.12 2bua n ASN 119 Cb 0.61 -3.89 -0.03 0.00 -0.53 0.00 0.00 39.78 35.94 2bua n ASN 119 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 2bua s TYR 120 N -3.24 2.60 -0.26 1.20 5.04 -1.26 -4.26 117.35 117.16 2bua s TYR 120 Ca 0.38 0.21 -0.01 0.00 -2.44 0.00 0.00 57.07 55.21 2bua s TYR 120 Cb -0.17 -4.14 0.08 0.00 0.35 0.00 0.00 41.96 38.08 2bua s TYR 120 CO 0.54 -4.49 0.05 0.08 -1.34 0.00 0.00 175.55 170.40 2bua s VAL 121 N 1.83 0.92 0.59 3.14 1.01 -0.34 -5.00 120.40 122.54 2bua s VAL 121 Ca 0.77 -1.15 -0.20 0.00 0.00 0.00 0.00 61.98 61.41 2bua s VAL 121 Cb -0.48 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 2bua s VAL 121 CO 0.34 -0.44 1.26 -0.75 0.00 0.00 0.00 175.10 175.51 2bua s LYS 122 N 1.63 2.95 0.00 2.72 2.20 -1.26 -1.59 119.74 126.40 2bua s LYS 122 Ca 0.04 1.99 0.00 0.00 -0.36 0.00 0.00 55.97 57.64 2bua s LYS 122 Cb -0.17 -2.02 0.00 0.00 -1.51 0.00 0.00 37.83 34.13 2bua s LYS 122 CO -0.17 -1.26 0.00 0.94 -0.36 0.00 0.00 175.35 174.50 2bua n GLN 123 N -1.46 0.00 0.00 4.03 7.27 -0.83 -4.89 117.38 121.50 2bua n GLN 123 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.20 2bua n GLN 123 Cb 0.48 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.13 2bua n GLN 123 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 2bua n TRP 124 N 0.00 0.00 -0.09 3.69 5.03 -1.24 -4.97 117.44 119.86 2bua n TRP 124 Ca 0.00 0.00 -0.14 0.00 3.03 0.00 0.00 57.50 60.39 2bua n TRP 124 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 31.31 30.25 2bua n TRP 124 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 2bua h ARG 125 N 0.00 0.90 0.00 -0.99 2.43 -1.98 -3.39 114.38 111.35 2bua h ARG 125 Ca 0.00 -0.53 -0.12 0.00 -0.81 0.00 0.00 59.98 58.52 2bua h ARG 125 Cb 0.00 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 2bua h ARG 125 CO 0.00 1.17 -1.47 0.72 -1.51 0.00 0.00 179.97 178.88 2bua n HIS 126 N -4.03 0.00 -1.52 2.20 8.25 -1.26 -5.07 115.22 113.79 2bua n HIS 126 Ca -0.03 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.11 2bua n HIS 126 Cb 0.59 -0.33 0.06 0.00 1.12 0.00 0.00 29.99 31.44 2bua n HIS 126 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2bua s SER 127 N -4.14 4.96 0.00 0.41 1.04 -1.26 -4.75 113.70 109.96 2bua s SER 127 Ca -0.06 1.83 0.00 0.00 0.48 0.00 0.00 55.95 58.20 2bua s SER 127 Cb 0.02 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.62 2bua s SER 127 CO 0.25 -1.73 0.00 0.00 0.98 0.00 0.00 173.24 172.74 2bua n TYR 128 N -3.02 0.00 -4.36 5.02 0.18 -1.26 -1.96 117.16 111.76 2bua n TYR 128 Ca 0.09 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.62 2bua n TYR 128 Cb 0.53 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.39 2bua n TYR 128 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 2bua s THR 129 N -2.00 2.88 0.33 -3.48 -4.23 -0.62 -4.61 115.64 103.90 2bua s THR 129 Ca 0.00 -1.96 -0.18 0.00 -1.18 0.00 0.00 61.69 58.36 2bua s THR 129 Cb 0.00 -2.46 0.04 0.00 1.34 0.00 0.00 72.50 71.42 2bua s THR 129 CO 0.00 -0.22 0.74 0.00 -0.54 0.00 0.00 174.62 174.60 2bua s ALA 130 N -1.99 -0.97 0.12 3.99 0.00 -0.57 -1.20 121.76 121.14 2bua s ALA 130 Ca 0.26 -0.53 0.05 0.00 0.00 0.00 0.00 51.96 51.74 2bua s ALA 130 Cb -0.07 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 2bua s ALA 130 CO 0.15 -1.01 0.05 -1.12 0.00 0.00 0.00 175.76 173.83 2bua s SER 131 N -2.99 5.22 0.00 0.00 0.01 0.46 -1.48 113.70 114.93 2bua s SER 131 Ca 0.13 -0.16 0.01 0.00 1.31 0.00 0.00 55.95 57.24 2bua s SER 131 Cb -0.05 -1.30 -0.01 0.00 0.21 0.00 0.00 66.02 64.87 2bua s SER 131 CO 0.09 0.14 -0.02 -0.31 0.41 0.00 0.00 173.24 173.55 2bua s TYR 132 N -1.50 0.19 -0.02 2.43 1.51 -1.26 -1.59 117.35 117.12 2bua s TYR 132 Ca 0.28 -0.14 0.07 0.00 -1.01 0.00 0.00 57.07 56.28 2bua s TYR 132 Cb -0.11 -0.12 -0.02 0.00 -0.11 0.00 0.00 41.96 41.60 2bua s TYR 132 CO 0.20 -0.04 -0.24 -0.51 -1.11 0.00 0.00 175.55 173.85 2bua s ASP 133 N -0.36 2.86 -0.18 2.29 1.01 -0.68 -4.39 116.67 117.22 2bua s ASP 133 Ca -0.03 -0.44 -0.07 0.00 0.71 0.00 0.00 52.55 52.72 2bua s ASP 133 Cb -0.03 -0.33 -0.04 0.00 1.01 0.00 0.00 42.92 43.53 2bua s ASP 133 CO -0.00 0.30 0.05 -0.63 0.21 0.00 0.00 175.17 175.10 2bua s ILE 134 N -0.56 4.69 -0.20 0.77 1.01 -1.26 -0.88 121.20 124.78 2bua s ILE 134 Ca 0.09 -0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.65 2bua s ILE 134 Cb -0.09 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.26 2bua s ILE 134 CO -0.01 0.46 -0.11 -0.47 0.00 0.00 0.00 174.94 174.81 2bua s TYR 135 N 0.40 2.88 -0.51 3.97 5.04 -0.11 -1.42 117.35 127.60 2bua s TYR 135 Ca 0.02 -1.14 -0.28 0.00 -2.44 0.00 0.00 57.07 53.24 2bua s TYR 135 Cb -0.13 -2.01 0.01 0.00 0.35 0.00 0.00 41.96 40.19 2bua s TYR 135 CO 0.01 -0.59 1.42 0.34 -1.34 0.00 0.00 175.55 175.38 2bua s ASP 136 N 1.27 6.19 0.57 4.32 -1.08 -0.54 -1.86 116.67 125.55 2bua s ASP 136 Ca 0.03 0.48 0.35 0.00 -0.52 0.00 0.00 52.55 52.89 2bua s ASP 136 Cb -0.14 -2.54 1.67 0.00 -1.46 0.00 0.00 42.92 40.45 2bua s ASP 136 CO -0.05 -1.62 2.11 -0.07 0.52 0.00 0.00 175.17 176.06 2bua h LEU 137 N 12.81 0.00 0.00 -1.34 3.38 -1.57 -0.10 115.31 128.50 2bua h LEU 137 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2bua h LEU 137 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2bua h LEU 137 CO 1.14 0.04 0.00 0.59 0.09 0.00 0.00 178.44 180.30 2bua n ASN 138 N -3.22 0.00 -0.07 -0.43 3.02 -1.25 -3.83 115.26 109.48 2bua n ASN 138 Ca -0.01 0.43 0.00 0.00 -0.03 0.00 0.00 54.58 54.97 2bua n ASN 138 Cb 0.23 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 2bua n ASN 138 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2bua n LYS 139 N -1.61 0.64 -3.66 3.52 2.85 -1.25 -4.84 118.16 113.80 2bua n LYS 139 Ca 0.00 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.04 2bua n LYS 139 Cb 0.00 -1.05 -0.06 0.00 -0.65 0.00 0.00 35.03 33.27 2bua n LYS 139 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2bua n ARG 140 N -0.40 -0.93 -3.20 -1.58 1.74 -0.08 -4.91 116.66 107.30 2bua n ARG 140 Ca 0.00 0.07 -0.16 0.00 -0.77 0.00 0.00 57.85 56.99 2bua n ARG 140 Cb 0.02 -2.53 -0.02 0.00 -1.02 0.00 0.00 32.46 28.91 2bua n ARG 140 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2bua n GLN 141 N -3.26 1.26 -3.97 5.56 6.02 -0.99 -4.96 117.38 117.05 2bua n GLN 141 Ca -0.15 -1.91 -0.30 0.00 -0.01 0.00 0.00 57.00 54.62 2bua n GLN 141 Cb 0.43 0.42 -0.16 0.00 1.02 0.00 0.00 30.24 31.95 2bua n GLN 141 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2bua s LEU 142 N 0.00 2.48 -0.16 1.08 0.20 -1.26 -1.47 118.68 119.55 2bua s LEU 142 Ca 0.05 -1.07 -0.38 0.00 0.69 0.00 0.00 54.13 53.42 2bua s LEU 142 Cb -0.00 -1.21 -0.15 0.00 -0.43 0.00 0.00 46.19 44.40 2bua s LEU 142 CO 0.03 -0.20 1.71 -0.38 -0.29 0.00 0.00 176.35 177.22 2bua n ILE 143 N 4.67 0.31 -0.03 6.68 -0.00 -0.51 -4.85 119.36 125.63 2bua n ILE 143 Ca -0.13 -0.06 -0.01 0.00 -0.00 0.00 0.00 62.75 62.55 2bua n ILE 143 Cb 0.45 -1.33 -0.07 0.00 -0.00 0.00 0.00 39.64 38.69 2bua n ILE 143 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 2bua n THR 144 N 4.37 0.41 -3.59 1.39 -2.24 -1.26 -4.61 114.28 108.74 2bua n THR 144 Ca 0.24 -0.34 -0.30 0.00 -2.27 0.00 0.00 64.05 61.38 2bua n THR 144 Cb 0.18 -0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 67.98 2bua n THR 144 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2bua s GLU 145 N -2.39 3.63 -1.28 -0.78 1.03 -1.26 -4.39 118.70 113.25 2bua s GLU 145 Ca -0.04 -0.06 -0.03 0.00 0.03 0.00 0.00 54.97 54.87 2bua s GLU 145 Cb 0.04 -2.79 -0.01 0.00 -0.80 0.00 0.00 34.13 30.58 2bua s GLU 145 CO 0.39 0.40 0.69 0.39 -1.33 0.00 0.00 175.26 175.80 2bua n GLU 146 N -0.21 -4.10 -1.51 -4.83 -0.58 -1.26 -4.72 120.64 103.43 2bua n GLU 146 Ca -0.02 0.59 -0.29 0.00 -0.42 0.00 0.00 57.16 57.01 2bua n GLU 146 Cb 0.52 -5.00 0.12 0.00 -0.57 0.00 0.00 31.44 26.51 2bua n GLU 146 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2bua s ARG 147 N -5.96 1.49 0.06 3.49 0.52 -1.26 -4.82 118.95 112.46 2bua s ARG 147 Ca 0.08 0.47 -0.29 0.00 -0.52 0.00 0.00 55.73 55.47 2bua s ARG 147 Cb -0.02 -1.86 -0.05 0.00 0.52 0.00 0.00 34.95 33.54 2bua s ARG 147 CO 0.82 -2.00 0.94 0.42 0.02 0.00 0.00 175.30 175.51 2bua s ILE 148 N -3.19 4.68 1.03 1.52 1.01 -1.26 -5.02 121.20 119.97 2bua s ILE 148 Ca 0.63 2.01 -0.18 0.00 0.00 0.00 0.00 60.65 63.11 2bua s ILE 148 Cb -0.15 -4.30 0.01 0.00 0.01 0.00 0.00 42.46 38.03 2bua s ILE 148 CO 0.54 0.26 -0.18 -2.65 0.00 0.00 0.00 174.94 172.91 2bua n PRO 149 N 3.24 -0.73 -3.46 2.79 -0.02 -1.26 -4.61 135.00 130.95 2bua n PRO 149 Ca 0.03 -0.19 -0.33 0.00 -2.02 0.00 0.00 63.50 60.99 2bua n PRO 149 Cb 0.50 -1.56 -0.05 0.00 -0.02 0.00 0.00 33.50 32.36 2bua n PRO 149 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2bua s ASN 150 N -1.67 6.64 -0.63 2.55 2.47 -1.26 -4.08 114.94 118.95 2bua s ASN 150 Ca 0.51 0.89 -0.01 0.00 0.42 0.00 0.00 52.86 54.66 2bua s ASN 150 Cb -0.13 -2.21 0.00 0.00 -1.45 0.00 0.00 41.25 37.46 2bua s ASN 150 CO 0.69 -0.00 0.18 0.59 -3.72 0.00 0.00 177.10 174.84 2bua n ASN 151 N 0.16 -3.24 -4.71 -4.21 3.02 -1.20 -4.97 115.26 100.11 2bua n ASN 151 Ca -0.02 -0.09 -0.42 0.00 -0.03 0.00 0.00 54.58 54.02 2bua n ASN 151 Cb 0.52 -2.24 -0.03 0.00 -0.61 0.00 0.00 39.78 37.42 2bua n ASN 151 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2bua s THR 152 N -2.69 3.80 0.09 3.41 2.01 -0.55 -4.59 115.64 117.12 2bua s THR 152 Ca 0.09 1.27 0.00 0.00 0.31 0.00 0.00 61.69 63.37 2bua s THR 152 Cb -0.04 -3.82 -0.25 0.00 0.01 0.00 0.00 72.50 68.40 2bua s THR 152 CO 0.11 0.08 1.19 1.56 -0.69 0.00 0.00 174.62 176.87 2bua h GLN 153 N 6.97 0.16 -1.73 4.92 4.20 -1.06 -1.51 115.11 127.06 2bua h GLN 153 Ca -0.41 -0.27 0.03 0.00 0.06 0.00 0.00 58.65 58.06 2bua h GLN 153 Cb 1.20 0.10 -0.22 0.00 0.30 0.00 0.00 27.48 28.86 2bua h GLN 153 CO 0.84 1.12 0.39 -0.46 -0.67 0.00 0.00 178.83 180.06 2bua s TRP 154 N -2.68 -0.51 -0.08 2.96 -0.11 -1.18 -4.71 118.94 112.63 2bua s TRP 154 Ca -0.02 1.01 -0.19 0.00 1.22 0.00 0.00 56.10 58.11 2bua s TRP 154 Cb 0.08 0.40 0.04 0.00 -1.50 0.00 0.00 33.47 32.50 2bua s TRP 154 CO 0.86 -0.39 0.46 -1.50 -4.62 0.00 0.00 176.95 171.76 2bua s ILE 155 N -0.68 0.02 -0.20 5.86 2.07 -1.26 -0.02 121.20 126.99 2bua s ILE 155 Ca -0.03 -0.19 -0.27 0.00 -1.41 0.00 0.00 60.65 58.75 2bua s ILE 155 Cb -0.02 -0.73 0.08 0.00 0.13 0.00 0.00 42.46 41.92 2bua s ILE 155 CO 0.02 -0.10 0.74 0.28 -1.91 0.00 0.00 174.94 173.97 2bua s THR 156 N -0.72 0.00 0.81 4.00 -1.32 -0.45 -5.00 115.64 112.97 2bua s THR 156 Ca -0.08 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.28 2bua s THR 156 Cb -0.03 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 70.04 2bua s THR 156 CO 0.04 0.00 1.11 0.26 -2.21 0.00 0.00 174.62 173.82 2bua s TRP 157 N -0.17 2.80 0.70 9.09 0.52 -1.26 -2.04 118.94 128.58 2bua s TRP 157 Ca -0.03 1.08 -0.11 0.00 0.02 0.00 0.00 56.10 57.06 2bua s TRP 157 Cb -0.03 -3.18 0.02 0.00 -1.15 0.00 0.00 33.47 29.12 2bua s TRP 157 CO 0.03 -1.85 1.09 -1.54 0.02 0.00 0.00 176.95 174.70 2bua s SER 158 N -3.97 5.43 0.61 2.95 1.04 -0.99 -4.89 113.70 113.89 2bua s SER 158 Ca 0.61 1.09 0.35 0.00 0.48 0.00 0.00 55.95 58.49 2bua s SER 158 Cb -0.14 -1.90 2.02 0.00 0.10 0.00 0.00 66.02 66.10 2bua s SER 158 CO 0.54 -1.34 2.28 -0.65 0.98 0.00 0.00 173.24 175.05 2bua h PRO 159 N -0.63 0.00 -4.66 4.02 0.11 -1.81 -3.42 132.00 125.60 2bua h PRO 159 Ca -0.45 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.41 2bua h PRO 159 Cb 1.26 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.22 2bua h PRO 159 CO 0.64 0.01 -0.65 0.14 -0.21 0.00 0.00 178.00 177.92 2bua s VAL 160 N -4.40 0.44 0.00 3.15 -7.23 -1.26 -4.78 120.40 106.33 2bua s VAL 160 Ca -0.05 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 2bua s VAL 160 Cb 0.14 -2.13 0.00 0.00 0.56 0.00 0.00 36.38 34.95 2bua s VAL 160 CO 0.50 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 175.46 2bua n GLY 161 N -0.20 1.42 2.11 2.32 0.00 -1.26 -4.37 105.19 105.21 2bua n GLY 161 Ca -0.06 -0.63 0.02 0.00 0.00 0.00 0.00 46.02 45.35 2bua n GLY 161 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2bua n HIS 162 N 5.80 0.47 -1.50 1.61 1.44 -1.26 -2.96 115.22 118.82 2bua n HIS 162 Ca 0.00 -1.27 -0.30 0.00 -2.01 0.00 0.00 57.72 54.14 2bua n HIS 162 Cb 0.00 -0.08 0.09 0.00 0.12 0.00 0.00 29.99 30.11 2bua n HIS 162 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2bua s LYS 163 N -1.66 2.21 0.01 -1.40 1.02 -1.26 -4.64 119.74 114.02 2bua s LYS 163 Ca 0.28 0.78 0.01 0.00 0.02 0.00 0.00 55.97 57.06 2bua s LYS 163 Cb 0.34 -1.92 -0.01 0.00 -0.52 0.00 0.00 37.83 35.72 2bua s LYS 163 CO -0.10 -1.56 -0.03 -0.51 -0.92 0.00 0.00 175.35 172.22 2bua s LEU 164 N -5.78 2.10 -0.01 3.17 1.43 0.32 -2.34 118.68 117.56 2bua s LEU 164 Ca 0.60 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.50 2bua s LEU 164 Cb -0.15 -0.06 -0.00 0.00 0.03 0.00 0.00 46.19 46.01 2bua s LEU 164 CO 0.55 -0.09 -0.07 0.00 0.23 0.00 0.00 176.35 176.97 2bua s ALA 165 N -0.59 0.65 0.10 4.21 0.00 -0.87 -0.02 121.76 125.26 2bua s ALA 165 Ca -0.05 -0.29 -0.14 0.00 0.00 0.00 0.00 51.96 51.48 2bua s ALA 165 Cb -0.04 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.90 2bua s ALA 165 CO -0.00 0.13 0.34 1.52 0.00 0.00 0.00 175.76 177.75 2bua s TYR 166 N -0.01 -0.11 -0.13 0.00 -0.85 -0.20 -1.34 117.35 114.71 2bua s TYR 166 Ca 0.01 -0.19 0.00 0.00 -0.52 0.00 0.00 57.07 56.36 2bua s TYR 166 Cb -0.05 0.16 -0.01 0.00 0.38 0.00 0.00 41.96 42.44 2bua s TYR 166 CO -0.00 -0.64 -0.13 0.08 -1.52 0.00 0.00 175.55 173.34 2bua s VAL 167 N -3.60 3.02 -0.07 -3.49 1.01 0.97 -0.50 120.40 117.74 2bua s VAL 167 Ca 0.02 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 2bua s VAL 167 Cb 0.02 -2.26 0.04 0.00 0.00 0.00 0.00 36.38 34.18 2bua s VAL 167 CO -0.10 0.53 0.14 0.86 0.00 0.00 0.00 175.10 176.52 2bua s TRP 168 N 0.33 -0.14 -1.46 5.22 -0.00 -0.28 -0.52 118.94 122.09 2bua s TRP 168 Ca -0.11 0.48 -0.09 0.00 -0.00 0.00 0.00 56.10 56.38 2bua s TRP 168 Cb -0.16 -0.17 0.03 0.00 -0.00 0.00 0.00 33.47 33.17 2bua s TRP 168 CO 0.06 -0.19 0.88 0.09 -0.00 0.00 0.00 176.95 177.79 2bua n ASN 169 N 4.60 -5.74 -0.67 5.86 5.03 -1.26 -2.06 115.26 121.02 2bua n ASN 169 Ca -0.19 -0.49 -0.09 0.00 0.87 0.00 0.00 54.58 54.69 2bua n ASN 169 Cb 0.51 -4.58 -0.04 0.00 -1.02 0.00 0.00 39.78 34.65 2bua n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2bua n ASN 170 N -2.74 -4.64 -4.37 6.41 5.03 -1.26 -4.36 115.26 109.33 2bua n ASN 170 Ca -0.03 0.22 -0.24 0.00 0.87 0.00 0.00 54.58 55.40 2bua n ASN 170 Cb 0.57 -2.91 -0.11 0.00 -1.02 0.00 0.00 39.78 36.31 2bua n ASN 170 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2bua s ASP 171 N -2.59 2.96 -0.04 6.41 1.01 -0.88 -2.33 116.67 121.22 2bua s ASP 171 Ca 0.00 -0.86 -0.10 0.00 0.71 0.00 0.00 52.55 52.31 2bua s ASP 171 Cb 0.00 -0.19 -0.05 0.00 1.01 0.00 0.00 42.92 43.69 2bua s ASP 171 CO 0.00 0.03 0.27 -0.63 0.21 0.00 0.00 175.17 175.05 2bua s ILE 172 N -1.87 5.28 0.03 0.77 1.01 -1.26 -1.12 121.20 124.04 2bua s ILE 172 Ca 0.17 0.43 0.03 0.00 0.00 0.00 0.00 60.65 61.28 2bua s ILE 172 Cb -0.07 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 2bua s ILE 172 CO 0.08 0.54 -0.10 -0.31 0.00 0.00 0.00 174.94 175.15 2bua s TYR 173 N -1.12 0.86 -0.04 3.97 1.51 0.34 -0.40 117.35 122.47 2bua s TYR 173 Ca 0.21 -0.37 0.04 0.00 -1.01 0.00 0.00 57.07 55.94 2bua s TYR 173 Cb -0.14 -0.51 0.00 0.00 -0.11 0.00 0.00 41.96 41.20 2bua s TYR 173 CO 0.10 -0.02 -0.15 0.08 -1.11 0.00 0.00 175.55 174.46 2bua s VAL 174 N -0.94 1.24 -0.20 0.71 1.01 -0.37 -1.03 120.40 120.82 2bua s VAL 174 Ca -0.03 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.36 2bua s VAL 174 Cb -0.08 -1.08 0.03 0.00 0.00 0.00 0.00 36.38 35.26 2bua s VAL 174 CO 0.01 0.37 -0.14 -0.54 0.00 0.00 0.00 175.10 174.79 2bua s LYS 175 N 0.17 2.44 0.26 2.72 1.02 0.97 -0.14 119.74 127.19 2bua s LYS 175 Ca -0.05 -0.89 0.12 0.00 0.02 0.00 0.00 55.97 55.16 2bua s LYS 175 Cb -0.12 -2.51 0.25 0.00 -0.52 0.00 0.00 37.83 34.93 2bua s LYS 175 CO 0.02 -0.35 1.53 -0.91 -0.92 0.00 0.00 175.35 174.73 2bua h ASN 176 N 7.94 0.00 -3.71 2.83 -0.26 -1.86 0.92 115.58 121.44 2bua h ASN 176 Ca -0.34 0.00 -0.37 0.00 -0.56 0.00 0.00 56.30 55.03 2bua h ASN 176 Cb 1.11 0.00 -0.31 0.00 -1.06 0.00 0.00 38.32 38.06 2bua h ASN 176 CO 0.54 0.65 -0.76 -1.61 -1.06 0.00 0.00 177.43 175.19 2bua s GLU 177 N -3.31 0.61 0.50 0.81 0.41 -1.26 -4.34 118.70 112.13 2bua s GLU 177 Ca 0.00 -0.15 0.29 0.00 -0.41 0.00 0.00 54.97 54.70 2bua s GLU 177 Cb 0.11 -0.62 1.39 0.00 -1.78 0.00 0.00 34.13 33.22 2bua s GLU 177 CO 0.76 0.03 1.85 -1.35 -0.49 0.00 0.00 175.26 176.06 2bua h PRO 178 N 6.57 0.11 -0.01 0.39 0.11 -1.86 -0.80 132.00 136.52 2bua h PRO 178 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2bua h PRO 178 Cb 1.17 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2bua h PRO 178 CO 0.49 0.07 -0.66 0.27 -0.21 0.00 0.00 178.00 177.96 2bua n ASN 179 N -4.34 1.27 -4.93 -2.05 6.94 -1.26 -4.83 115.26 106.06 2bua n ASN 179 Ca 0.21 -1.04 -0.25 0.00 -0.02 0.00 0.00 54.58 53.48 2bua n ASN 179 Cb 0.96 0.61 -0.01 0.00 -2.36 0.00 0.00 39.78 38.98 2bua n ASN 179 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2bua s LEU 180 N -2.76 3.90 0.31 -4.53 2.01 -0.31 -4.59 118.68 112.71 2bua s LEU 180 Ca 0.14 0.56 -0.29 0.00 0.01 0.00 0.00 54.13 54.55 2bua s LEU 180 Cb 0.17 -3.44 -0.10 0.00 0.01 0.00 0.00 46.19 42.83 2bua s LEU 180 CO 0.70 -0.38 1.36 -0.44 1.01 0.00 0.00 176.35 178.60 2bua s SER 181 N -4.06 6.70 0.64 2.29 0.01 -1.26 -4.77 113.70 113.24 2bua s SER 181 Ca 0.42 2.71 -0.13 0.00 1.31 0.00 0.00 55.95 60.26 2bua s SER 181 Cb -0.10 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.47 2bua s SER 181 CO 0.38 -0.61 1.05 -0.94 0.41 0.00 0.00 173.24 173.53 2bua s SER 182 N -0.21 5.72 -0.16 2.44 1.04 -1.26 -4.76 113.70 116.50 2bua s SER 182 Ca 0.52 1.65 -0.02 0.00 0.48 0.00 0.00 55.95 58.58 2bua s SER 182 Cb -0.41 -2.51 -0.02 0.00 0.10 0.00 0.00 66.02 63.19 2bua s SER 182 CO 0.51 -1.21 -0.08 -1.58 0.98 0.00 0.00 173.24 171.86 2bua s GLN 183 N -4.66 3.47 0.00 4.02 2.00 0.81 -4.89 119.66 120.40 2bua s GLN 183 Ca 0.59 -0.62 -0.30 0.00 -2.00 0.00 0.00 55.36 53.04 2bua s GLN 183 Cb -0.14 -2.83 -0.04 0.00 0.80 0.00 0.00 33.01 30.80 2bua s GLN 183 CO 0.47 0.10 1.12 0.50 -0.50 0.00 0.00 175.29 176.99 2bua s ARG 184 N 0.68 4.44 -0.14 1.67 3.52 -1.26 -1.24 118.95 126.63 2bua s ARG 184 Ca -0.04 1.62 0.12 0.00 -0.13 0.00 0.00 55.73 57.30 2bua s ARG 184 Cb -0.15 -3.45 -0.23 0.00 -1.56 0.00 0.00 34.95 29.56 2bua s ARG 184 CO 0.02 -0.26 0.28 -0.89 -0.81 0.00 0.00 175.30 173.65 2bua n ILE 185 N 4.15 1.52 -4.14 4.11 2.08 0.46 -4.98 119.36 122.55 2bua n ILE 185 Ca 0.09 -0.78 -0.16 0.00 0.56 0.00 0.00 62.75 62.46 2bua n ILE 185 Cb 0.48 -0.91 -0.11 0.00 -0.75 0.00 0.00 39.64 38.34 2bua n ILE 185 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2bua s THR 186 N -2.54 0.90 0.00 1.39 -4.23 -1.24 -4.96 115.64 104.96 2bua s THR 186 Ca -0.12 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 2bua s THR 186 Cb 0.07 -1.04 0.00 0.00 1.34 0.00 0.00 72.50 72.87 2bua s THR 186 CO 0.80 -0.38 0.32 0.79 -0.54 0.00 0.00 174.62 175.61 2bua n TRP 187 N 1.09 0.00 0.99 3.99 7.02 -1.26 -4.55 117.44 124.72 2bua n TRP 187 Ca -0.20 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.41 2bua n TRP 187 Cb 0.55 0.00 0.49 0.00 -2.42 0.00 0.00 31.31 29.93 2bua n TRP 187 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2bua n THR 188 N -0.17 0.02 -1.50 -0.99 -2.24 -1.26 -4.94 114.28 103.19 2bua n THR 188 Ca 0.00 -0.01 -0.52 0.00 -2.27 0.00 0.00 64.05 61.25 2bua n THR 188 Cb 0.04 -0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 67.96 2bua n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bua n GLY 189 N 1.49 -0.55 3.63 3.38 0.00 -1.26 -4.66 105.19 107.23 2bua n GLY 189 Ca 0.06 0.55 -0.04 0.00 0.00 0.00 0.00 46.02 46.60 2bua n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bua s LYS 190 N -0.44 0.62 0.02 1.61 2.20 -1.00 -4.92 119.74 117.82 2bua s LYS 190 Ca 0.76 1.27 -0.37 0.00 -0.36 0.00 0.00 55.97 57.28 2bua s LYS 190 Cb -1.00 0.47 -0.16 0.00 -1.51 0.00 0.00 37.83 35.63 2bua s LYS 190 CO 0.55 -0.17 1.50 -1.91 -0.36 0.00 0.00 175.35 174.96 2bua n GLU 191 N 4.81 1.39 -1.37 4.03 2.13 -1.26 -1.36 120.64 129.01 2bua n GLU 191 Ca -0.16 0.50 -0.13 0.00 0.66 0.00 0.00 57.16 58.04 2bua n GLU 191 Cb 0.54 -2.19 -0.05 0.00 0.27 0.00 0.00 31.44 30.01 2bua n GLU 191 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2bua n ASN 192 N 3.52 -5.48 0.12 4.31 5.03 -1.26 -4.73 115.26 116.76 2bua n ASN 192 Ca 0.20 0.32 0.00 0.00 0.87 0.00 0.00 54.58 55.97 2bua n ASN 192 Cb 0.20 -4.10 0.00 0.00 -1.02 0.00 0.00 39.78 34.86 2bua n ASN 192 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2bua n VAL 193 N -2.31 0.32 -5.02 2.41 0.31 -0.46 -4.72 118.33 108.85 2bua n VAL 193 Ca -0.13 0.11 -0.32 0.00 -0.01 0.00 0.00 64.34 63.99 2bua n VAL 193 Cb 0.58 -0.77 -0.16 0.00 -0.91 0.00 0.00 33.84 32.57 2bua n VAL 193 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2bua s ILE 194 N -1.94 2.23 -0.18 2.52 -1.09 -0.56 0.01 121.20 122.18 2bua s ILE 194 Ca 0.00 -0.95 0.01 0.00 -2.23 0.00 0.00 60.65 57.48 2bua s ILE 194 Cb 0.00 -1.88 0.02 0.00 -1.58 0.00 0.00 42.46 39.03 2bua s ILE 194 CO 0.00 0.55 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.76 2bua s TYR 195 N 0.46 2.79 -0.25 3.97 1.51 -0.18 -2.36 117.35 123.27 2bua s TYR 195 Ca -0.15 -1.67 -0.02 0.00 -1.01 0.00 0.00 57.07 54.22 2bua s TYR 195 Cb -0.17 -1.91 0.02 0.00 -0.11 0.00 0.00 41.96 39.79 2bua s TYR 195 CO 0.06 -0.81 -0.05 -0.80 -1.11 0.00 0.00 175.55 172.85 2bua s ASN 196 N 1.29 4.40 0.00 2.29 0.01 -0.98 -0.74 114.94 121.21 2bua s ASN 196 Ca 0.04 -0.85 0.00 0.00 -0.71 0.00 0.00 52.86 51.35 2bua s ASN 196 Cb -0.13 -1.69 0.00 0.00 0.41 0.00 0.00 41.25 39.84 2bua s ASN 196 CO -0.13 -0.13 0.00 0.61 -1.51 0.00 0.00 177.10 175.94 2bua n GLY 197 N 4.69 1.54 3.06 0.66 0.00 -0.94 -4.24 105.19 109.95 2bua n GLY 197 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 2bua n GLY 197 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bua s VAL 198 N -2.34 0.27 0.59 1.61 -7.23 -1.26 -0.72 120.40 111.33 2bua s VAL 198 Ca 0.00 -1.42 -0.12 0.00 -1.81 0.00 0.00 61.98 58.63 2bua s VAL 198 Cb 0.00 -0.98 -0.05 0.00 0.56 0.00 0.00 36.38 35.91 2bua s VAL 198 CO 0.00 -0.74 1.02 0.42 -0.31 0.00 0.00 175.10 175.49 2bua s THR 199 N -2.71 4.67 0.30 5.32 -4.23 0.18 -4.75 115.64 114.41 2bua s THR 199 Ca -0.03 0.95 -0.03 0.00 -1.18 0.00 0.00 61.69 61.41 2bua s THR 199 Cb -0.01 -3.84 0.06 0.00 1.34 0.00 0.00 72.50 70.06 2bua s THR 199 CO -0.05 -1.04 0.41 -0.90 -0.54 0.00 0.00 174.62 172.49 2bua n ASP 200 N -2.47 0.27 -0.01 3.99 5.75 -1.26 -4.80 116.55 118.01 2bua n ASP 200 Ca 0.06 -1.29 -0.09 0.00 -0.01 0.00 0.00 54.79 53.45 2bua n ASP 200 Cb 0.54 -0.29 -0.04 0.00 -1.03 0.00 0.00 41.12 40.30 2bua n ASP 200 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 2bua h TRP 201 N -0.83 -0.12 -0.13 2.11 7.01 -1.99 -2.58 115.95 119.42 2bua h TRP 201 Ca -0.13 0.01 -0.12 0.00 2.11 0.00 0.00 58.89 60.76 2bua h TRP 201 Cb 0.42 0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.55 2bua h TRP 201 CO 0.00 -0.09 -0.45 -0.24 -2.79 0.00 0.00 178.44 174.88 2bua h VAL 202 N -0.03 1.32 -0.04 2.65 3.04 -1.94 -2.24 116.25 119.01 2bua h VAL 202 Ca 0.07 -1.63 -0.16 0.00 -1.01 0.00 0.00 66.70 63.97 2bua h VAL 202 Cb 0.14 1.72 -0.01 0.00 -2.01 0.00 0.00 31.29 31.12 2bua h VAL 202 CO -0.16 0.49 -0.69 1.88 -1.01 0.00 0.00 177.57 178.08 2bua h TYR 203 N 0.26 0.28 -0.06 3.17 -1.99 -1.92 -0.49 116.97 116.22 2bua h TYR 203 Ca 0.02 -0.12 -0.01 0.00 2.00 0.00 0.00 58.73 60.62 2bua h TYR 203 Cb 0.90 -0.04 -0.00 0.00 2.00 0.00 0.00 36.73 39.58 2bua h TYR 203 CO 0.02 0.83 -0.00 1.49 -0.00 0.00 0.00 178.16 180.50 2bua h GLU 204 N 0.14 0.11 0.01 4.88 4.81 -1.29 0.26 114.58 123.51 2bua h GLU 204 Ca -0.02 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 2bua h GLU 204 Cb 1.24 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.62 2bua h GLU 204 CO 0.11 0.41 -0.59 1.49 -0.73 0.00 0.00 179.01 179.69 2bua h GLU 205 N -0.20 0.38 0.00 1.92 4.57 -1.41 -2.12 114.58 117.72 2bua h GLU 205 Ca 0.02 -0.43 -0.15 0.00 -1.18 0.00 0.00 59.36 57.62 2bua h GLU 205 Cb 0.36 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 2bua h GLU 205 CO 0.00 1.10 -1.91 0.39 -1.18 0.00 0.00 179.01 177.42 2bua n GLU 206 N -4.23 1.02 -0.08 1.92 -0.58 -0.19 -4.59 120.64 113.91 2bua n GLU 206 Ca -0.11 -0.08 -0.11 0.00 -0.42 0.00 0.00 57.16 56.45 2bua n GLU 206 Cb 0.67 -1.39 -0.04 0.00 -0.57 0.00 0.00 31.44 30.11 2bua n GLU 206 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2bua n VAL 207 N -2.33 1.41 0.06 2.62 0.31 -1.01 -4.80 118.33 114.59 2bua n VAL 207 Ca -0.15 0.07 0.04 0.00 -0.01 0.00 0.00 64.34 64.30 2bua n VAL 207 Cb 0.73 -2.12 -0.05 0.00 -0.91 0.00 0.00 33.84 31.49 2bua n VAL 207 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2bua h PHE 208 N -0.82 0.00 -4.78 3.52 -1.00 -0.70 -3.48 116.94 109.68 2bua h PHE 208 Ca -0.13 0.00 -0.40 0.00 2.81 0.00 0.00 57.97 60.25 2bua h PHE 208 Cb 0.97 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.55 2bua h PHE 208 CO -0.29 0.36 -0.59 0.43 -1.61 0.00 0.00 178.31 176.61 2bua n SER 209 N -2.83 -5.37 -3.52 2.17 7.64 -0.81 -4.92 113.62 105.99 2bua n SER 209 Ca -0.06 -0.31 -0.09 0.00 1.01 0.00 0.00 58.87 59.42 2bua n SER 209 Cb 0.73 -4.36 -0.02 0.00 -1.01 0.00 0.00 64.21 59.55 2bua n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bua s ALA 210 N -3.10 -1.69 -0.10 -0.43 0.00 -1.16 -5.00 121.76 110.28 2bua s ALA 210 Ca 0.33 0.66 0.15 0.00 0.00 0.00 0.00 51.96 53.10 2bua s ALA 210 Cb -0.16 0.64 -0.22 0.00 0.00 0.00 0.00 23.12 23.38 2bua s ALA 210 CO 0.41 -0.77 0.54 0.98 0.00 0.00 0.00 175.76 176.92 2bua n TYR 211 N -0.33 0.70 -1.88 0.00 9.36 -1.26 -4.24 117.16 119.50 2bua n TYR 211 Ca -0.11 0.25 -0.41 0.00 3.32 0.00 0.00 57.90 60.95 2bua n TYR 211 Cb 0.63 -1.09 -0.01 0.00 -0.63 0.00 0.00 39.34 38.24 2bua n TYR 211 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2bua s SER 212 N -5.80 6.45 -0.23 2.98 0.15 -1.26 -0.65 113.70 115.35 2bua s SER 212 Ca -0.06 2.96 0.20 0.00 0.70 0.00 0.00 55.95 59.75 2bua s SER 212 Cb 0.08 -2.66 0.45 0.00 -1.71 0.00 0.00 66.02 62.17 2bua s SER 212 CO 0.83 -0.79 1.21 0.00 1.20 0.00 0.00 173.24 175.69 2bua n ALA 213 N 0.58 2.69 -2.50 5.45 0.00 0.10 -4.61 120.51 122.23 2bua n ALA 213 Ca 0.01 -2.17 -0.25 0.00 0.00 0.00 0.00 53.44 51.03 2bua n ALA 213 Cb 0.40 -0.82 -0.15 0.00 0.00 0.00 0.00 19.45 18.88 2bua n ALA 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2bua s LEU 214 N -3.13 2.07 -0.25 0.00 1.43 -1.24 -2.24 118.68 115.31 2bua s LEU 214 Ca 0.22 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 52.93 2bua s LEU 214 Cb 0.34 -0.90 0.11 0.00 0.03 0.00 0.00 46.19 45.77 2bua s LEU 214 CO -0.08 0.19 0.25 0.26 0.23 0.00 0.00 176.35 177.20 2bua s TRP 215 N -0.53 -0.30 0.55 0.29 0.51 0.81 -4.99 118.94 115.27 2bua s TRP 215 Ca 0.07 -0.08 -0.19 0.00 -2.12 0.00 0.00 56.10 53.77 2bua s TRP 215 Cb -0.07 -0.47 -0.06 0.00 -0.81 0.00 0.00 33.47 32.07 2bua s TRP 215 CO -0.00 -0.78 1.11 -1.58 -0.51 0.00 0.00 176.95 175.19 2bua s TRP 216 N 2.32 2.73 0.64 -1.98 0.52 -1.26 -1.22 118.94 120.69 2bua s TRP 216 Ca 0.08 1.55 -0.11 0.00 0.02 0.00 0.00 56.10 57.65 2bua s TRP 216 Cb -0.15 -3.23 -0.02 0.00 -1.15 0.00 0.00 33.47 28.92 2bua s TRP 216 CO -0.25 -1.45 1.03 -1.54 0.02 0.00 0.00 176.95 174.77 2bua s SER 217 N -1.94 5.95 0.33 2.95 1.04 0.39 -4.92 113.70 117.51 2bua s SER 217 Ca 0.71 1.27 0.11 0.00 0.48 0.00 0.00 55.95 58.52 2bua s SER 217 Cb -0.22 -2.25 0.97 0.00 0.10 0.00 0.00 66.02 64.63 2bua s SER 217 CO 0.28 -1.01 1.67 -0.65 0.98 0.00 0.00 173.24 174.51 2bua h PRO 218 N -0.39 0.35 -0.40 4.02 0.11 -1.90 -1.56 132.00 132.23 2bua h PRO 218 Ca -0.45 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 2bua h PRO 218 Cb 1.21 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 2bua h PRO 218 CO 0.63 0.23 0.05 -1.71 -0.21 0.00 0.00 178.00 176.98 2bua n ASN 219 N -5.05 3.72 0.00 -2.05 5.15 -1.26 -4.36 115.26 111.42 2bua n ASN 219 Ca 0.29 -3.27 0.00 0.00 -0.60 0.00 0.00 54.58 51.00 2bua n ASN 219 Cb 0.88 -0.62 0.00 0.00 -0.53 0.00 0.00 39.78 39.51 2bua n ASN 219 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bua n GLY 220 N -0.61 0.30 0.08 8.20 0.00 -0.59 -4.89 105.19 107.69 2bua n GLY 220 Ca 0.29 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.18 2bua n GLY 220 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2bua h THR 221 N 0.00 1.33 -3.34 2.61 2.02 -1.93 -3.45 112.91 110.14 2bua h THR 221 Ca 0.00 -1.06 -0.65 0.00 0.77 0.00 0.00 66.41 65.47 2bua h THR 221 Cb 0.37 1.91 -0.14 0.00 -1.74 0.00 0.00 68.15 68.55 2bua h THR 221 CO 0.00 0.29 -0.70 -0.36 0.37 0.00 0.00 175.52 175.12 2bua s PHE 222 N -4.51 2.83 -0.22 3.16 0.08 -1.26 -1.12 117.98 116.94 2bua s PHE 222 Ca -0.15 -0.12 0.00 0.00 0.12 0.00 0.00 56.93 56.79 2bua s PHE 222 Cb 0.04 -1.44 0.05 0.00 -0.57 0.00 0.00 43.02 41.10 2bua s PHE 222 CO 0.70 0.46 -0.06 -1.17 -0.10 0.00 0.00 175.22 175.06 2bua s LEU 223 N -2.41 2.34 0.03 -0.37 2.96 0.20 -0.46 118.68 120.97 2bua s LEU 223 Ca 0.24 -1.05 -0.05 0.00 -0.22 0.00 0.00 54.13 53.05 2bua s LEU 223 Cb -0.11 -1.13 -0.05 0.00 0.50 0.00 0.00 46.19 45.40 2bua s LEU 223 CO 0.16 -0.22 0.27 0.00 -1.32 0.00 0.00 176.35 175.24 2bua s ALA 224 N 1.44 3.87 0.11 5.97 0.00 -0.36 -0.46 121.76 132.34 2bua s ALA 224 Ca -0.04 -0.63 -0.17 0.00 0.00 0.00 0.00 51.96 51.12 2bua s ALA 224 Cb -0.18 -2.02 0.04 0.00 0.00 0.00 0.00 23.12 20.96 2bua s ALA 224 CO -0.07 0.69 0.42 1.52 0.00 0.00 0.00 175.76 178.32 2bua s TYR 225 N -1.39 -0.25 0.09 0.00 1.13 -0.54 -0.13 117.35 116.26 2bua s TYR 225 Ca 0.31 -0.01 0.05 0.00 -1.41 0.00 0.00 57.07 56.01 2bua s TYR 225 Cb -0.13 0.28 -0.04 0.00 -1.10 0.00 0.00 41.96 40.97 2bua s TYR 225 CO 0.19 -0.69 -0.02 0.00 -2.51 0.00 0.00 175.55 172.52 2bua s ALA 226 N -3.58 3.22 -0.08 9.51 0.00 -0.95 -1.30 121.76 128.57 2bua s ALA 226 Ca 0.01 -1.13 0.04 0.00 0.00 0.00 0.00 51.96 50.88 2bua s ALA 226 Cb 0.01 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 22.00 2bua s ALA 226 CO -0.10 0.69 -0.21 -1.14 0.00 0.00 0.00 175.76 175.00 2bua s GLN 227 N -2.24 2.56 -0.12 0.00 0.74 -0.01 -2.21 119.66 118.38 2bua s GLN 227 Ca 0.24 -0.74 -0.00 0.00 0.05 0.00 0.00 55.36 54.91 2bua s GLN 227 Cb -0.12 -2.00 -0.02 0.00 1.10 0.00 0.00 33.01 31.98 2bua s GLN 227 CO 0.17 0.16 -0.10 -0.06 -0.55 0.00 0.00 175.29 174.91 2bua s PHE 228 N 0.36 2.87 -0.26 1.67 0.08 0.08 -1.36 117.98 121.42 2bua s PHE 228 Ca -0.15 -0.40 -0.04 0.00 0.12 0.00 0.00 56.93 56.46 2bua s PHE 228 Cb -0.17 -1.83 0.02 0.00 -0.57 0.00 0.00 43.02 40.47 2bua s PHE 228 CO 0.07 -0.04 -0.02 1.21 -0.10 0.00 0.00 175.22 176.34 2bua s ASN 229 N 0.05 4.56 -0.16 1.36 3.84 -0.51 -1.02 114.94 123.07 2bua s ASN 229 Ca -0.03 -0.75 0.16 0.00 0.21 0.00 0.00 52.86 52.45 2bua s ASN 229 Cb -0.14 -1.74 0.58 0.00 -0.55 0.00 0.00 41.25 39.40 2bua s ASN 229 CO 0.04 -0.13 1.49 0.47 -2.79 0.00 0.00 177.10 176.18 2bua n ASP 230 N 4.75 4.24 -0.26 -4.21 9.92 0.10 -1.96 116.55 129.13 2bua n ASP 230 Ca -0.16 -2.80 0.07 0.00 -0.53 0.00 0.00 54.79 51.36 2bua n ASP 230 Cb 0.48 -0.54 0.19 0.00 -0.64 0.00 0.00 41.12 40.61 2bua n ASP 230 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2bua h THR 231 N 2.54 0.35 -0.63 -3.53 2.02 -1.85 -2.11 112.91 109.70 2bua h THR 231 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.13 2bua h THR 231 Cb 1.46 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 2bua h THR 231 CO 0.25 0.03 0.00 -0.62 0.37 0.00 0.00 175.52 175.55 2bua n GLU 232 N -5.30 2.50 -2.91 6.66 1.02 -1.26 -4.92 120.64 116.43 2bua n GLU 232 Ca 0.15 -2.32 -0.41 0.00 -0.02 0.00 0.00 57.16 54.56 2bua n GLU 232 Cb 0.51 -1.51 -0.04 0.00 -0.02 0.00 0.00 31.44 30.39 2bua n GLU 232 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2bua s VAL 233 N -1.16 4.93 0.76 2.62 1.01 -0.80 -4.66 120.40 123.10 2bua s VAL 233 Ca 0.43 1.65 -0.14 0.00 0.00 0.00 0.00 61.98 63.92 2bua s VAL 233 Cb 0.23 -4.14 0.06 0.00 0.00 0.00 0.00 36.38 32.53 2bua s VAL 233 CO 0.30 0.12 1.20 -2.84 0.00 0.00 0.00 175.10 173.88 2bua s PRO 234 N 1.50 1.96 -0.14 2.72 0.02 -1.26 -4.71 135.00 135.08 2bua s PRO 234 Ca 0.40 1.72 -0.07 0.00 0.02 0.00 0.00 61.00 63.07 2bua s PRO 234 Cb -0.18 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 2bua s PRO 234 CO 0.17 -1.97 0.12 -0.51 -0.33 0.00 0.00 177.00 174.48 2bua s LEU 235 N -5.40 4.21 -0.08 -5.54 1.43 -1.26 -1.81 118.68 110.23 2bua s LEU 235 Ca 0.73 0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 54.05 2bua s LEU 235 Cb -0.28 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 2bua s LEU 235 CO 0.48 0.33 0.30 -0.51 0.23 0.00 0.00 176.35 177.17 2bua s ILE 236 N -0.53 5.25 0.02 -0.59 1.10 -0.21 -4.91 121.20 121.32 2bua s ILE 236 Ca 0.12 0.58 0.04 0.00 -0.51 0.00 0.00 60.65 60.88 2bua s ILE 236 Cb -0.12 -3.60 -0.02 0.00 0.15 0.00 0.00 42.46 38.87 2bua s ILE 236 CO 0.02 0.53 -0.13 -1.61 -2.11 0.00 0.00 174.94 171.64 2bua s GLU 237 N -0.59 0.95 0.09 3.50 2.02 -1.26 -1.87 118.70 121.54 2bua s GLU 237 Ca 0.19 -0.66 -0.18 0.00 0.02 0.00 0.00 54.97 54.34 2bua s GLU 237 Cb -0.14 -0.94 0.04 0.00 0.10 0.00 0.00 34.13 33.19 2bua s GLU 237 CO 0.08 0.24 0.44 1.52 0.02 0.00 0.00 175.26 177.55 2bua s TYR 238 N -0.68 -0.28 0.15 1.61 1.13 -1.03 -4.99 117.35 113.25 2bua s TYR 238 Ca 0.02 0.10 -0.23 0.00 -1.41 0.00 0.00 57.07 55.56 2bua s TYR 238 Cb -0.07 0.28 -0.08 0.00 -1.10 0.00 0.00 41.96 40.99 2bua s TYR 238 CO 0.01 -0.67 0.71 -1.12 -2.51 0.00 0.00 175.55 171.97 2bua s SER 239 N -2.44 7.26 -0.20 -0.18 0.01 -1.26 -0.69 113.70 116.19 2bua s SER 239 Ca -0.01 1.51 0.01 0.00 1.31 0.00 0.00 55.95 58.78 2bua s SER 239 Cb 0.01 -2.45 0.03 0.00 0.21 0.00 0.00 66.02 63.82 2bua s SER 239 CO -0.08 0.21 -0.16 0.12 0.41 0.00 0.00 173.24 173.73 2bua s PHE 240 N -1.19 2.83 0.09 2.43 5.36 0.16 -4.75 117.98 122.92 2bua s PHE 240 Ca 0.35 -1.79 0.08 0.00 -0.96 0.00 0.00 56.93 54.61 2bua s PHE 240 Cb -0.21 -1.87 -0.13 0.00 -0.34 0.00 0.00 43.02 40.46 2bua s PHE 240 CO 0.24 -0.81 1.32 1.88 -1.46 0.00 0.00 175.22 176.39 2bua h TYR 241 N 7.91 0.00 -1.00 10.12 -1.99 -1.96 -1.82 116.97 128.23 2bua h TYR 241 Ca -0.37 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.36 2bua h TYR 241 Cb 1.11 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.84 2bua h TYR 241 CO 0.52 0.91 0.00 0.45 -0.00 0.00 0.00 178.16 180.04 2bua n SER 242 N -3.36 -2.99 -4.76 3.88 2.88 -1.26 -4.74 113.62 103.26 2bua n SER 242 Ca 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 2bua n SER 242 Cb 0.89 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.37 2bua n SER 242 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2bua s ASP 243 N -4.00 5.80 0.60 -3.46 -1.08 -1.26 -4.86 116.67 108.41 2bua s ASP 243 Ca 0.00 2.79 0.29 0.00 -0.52 0.00 0.00 52.55 55.11 2bua s ASP 243 Cb 0.00 -2.64 1.21 0.00 -1.46 0.00 0.00 42.92 40.03 2bua s ASP 243 CO 0.00 -1.22 1.57 -0.08 0.52 0.00 0.00 175.17 175.97 2bua h GLU 244 N 2.12 0.00 0.00 4.34 4.81 -2.05 0.72 114.58 124.52 2bua h GLU 244 Ca -0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2bua h GLU 244 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 2bua h GLU 244 CO 0.60 0.00 0.00 -1.13 -0.73 0.00 0.00 179.01 177.75 2bua n SER 245 N -3.48 0.26 -4.64 1.04 3.41 -1.26 -4.74 113.62 104.20 2bua n SER 245 Ca 0.18 0.53 -0.43 0.00 -0.26 0.00 0.00 58.87 58.89 2bua n SER 245 Cb 1.19 -0.60 -0.02 0.00 -0.26 0.00 0.00 64.21 64.52 2bua n SER 245 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2bua s LEU 246 N -3.50 3.95 0.16 1.04 0.20 0.24 -4.92 118.68 115.85 2bua s LEU 246 Ca 0.11 1.23 -0.10 0.00 0.69 0.00 0.00 54.13 56.05 2bua s LEU 246 Cb 0.15 -3.54 0.01 0.00 -0.43 0.00 0.00 46.19 42.38 2bua s LEU 246 CO 0.49 -0.95 1.56 -0.61 -0.29 0.00 0.00 176.35 176.55 2bua h GLN 247 N 8.65 0.99 -5.81 1.98 4.15 -1.88 -3.43 115.11 119.75 2bua h GLN 247 Ca -0.24 -0.40 -0.68 0.00 0.77 0.00 0.00 58.65 58.10 2bua h GLN 247 Cb 1.08 -0.05 -0.28 0.00 0.21 0.00 0.00 27.48 28.45 2bua h GLN 247 CO 1.02 1.08 -0.81 0.71 -1.93 0.00 0.00 178.83 178.90 2bua s TYR 248 N -4.75 2.65 0.55 3.99 1.51 -1.26 -5.11 117.35 114.93 2bua s TYR 248 Ca -0.12 -0.56 -0.20 0.00 -1.01 0.00 0.00 57.07 55.18 2bua s TYR 248 Cb 0.12 -1.70 -0.05 0.00 -0.11 0.00 0.00 41.96 40.22 2bua s TYR 248 CO 0.86 -0.11 1.19 -2.14 -1.11 0.00 0.00 175.55 174.24 2bua s PRO 249 N -0.11 3.27 0.16 -1.71 0.02 -1.26 -5.03 135.00 130.34 2bua s PRO 249 Ca -0.03 1.80 0.03 0.00 0.02 0.00 0.00 61.00 62.82 2bua s PRO 249 Cb -0.14 -2.09 -0.04 0.00 0.02 0.00 0.00 34.50 32.26 2bua s PRO 249 CO 0.04 -0.96 0.27 -1.59 -0.33 0.00 0.00 177.00 174.42 2bua s LYS 250 N -3.13 3.34 -0.26 5.54 -2.85 -0.69 -4.91 119.74 116.78 2bua s LYS 250 Ca 0.73 -0.67 -0.09 0.00 -1.00 0.00 0.00 55.97 54.94 2bua s LYS 250 Cb -0.29 -2.90 -0.04 0.00 -2.06 0.00 0.00 37.83 32.54 2bua s LYS 250 CO 0.33 0.50 0.12 0.99 0.10 0.00 0.00 175.35 177.39 2bua s THR 251 N -1.77 4.76 0.11 3.79 2.01 -1.26 -0.67 115.64 122.61 2bua s THR 251 Ca 0.34 -0.02 -0.23 0.00 0.31 0.00 0.00 61.69 62.09 2bua s THR 251 Cb -0.11 -3.24 -0.07 0.00 0.01 0.00 0.00 72.50 69.09 2bua s THR 251 CO 0.28 0.31 0.70 -0.69 -0.69 0.00 0.00 174.62 174.53 2bua s VAL 252 N 1.59 4.55 -0.10 3.82 1.01 0.13 -4.93 120.40 126.47 2bua s VAL 252 Ca 0.06 1.53 0.01 0.00 0.00 0.00 0.00 61.98 63.58 2bua s VAL 252 Cb -0.15 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.19 2bua s VAL 252 CO 0.06 0.51 -0.11 -0.13 0.00 0.00 0.00 175.10 175.43 2bua s ARG 253 N -0.95 1.74 -0.05 2.72 0.52 -1.26 -2.47 118.95 119.20 2bua s ARG 253 Ca 0.34 -0.37 0.02 0.00 -0.52 0.00 0.00 55.73 55.19 2bua s ARG 253 Cb -0.21 -1.60 0.01 0.00 0.52 0.00 0.00 34.95 33.67 2bua s ARG 253 CO 0.23 -0.13 -0.10 0.42 0.02 0.00 0.00 175.30 175.74 2bua s ILE 254 N 1.22 0.89 -0.52 1.52 1.01 -0.78 -4.97 121.20 119.58 2bua s ILE 254 Ca -0.04 -0.36 -0.28 0.00 0.00 0.00 0.00 60.65 59.97 2bua s ILE 254 Cb -0.14 -0.82 -0.00 0.00 0.01 0.00 0.00 42.46 41.50 2bua s ILE 254 CO -0.03 0.29 1.63 -2.84 0.00 0.00 0.00 174.94 173.99 2bua s PRO 255 N 0.55 3.13 -0.12 2.79 0.02 -1.26 -1.05 135.00 139.05 2bua s PRO 255 Ca -0.10 0.74 -0.00 0.00 0.02 0.00 0.00 61.00 61.66 2bua s PRO 255 Cb -0.13 -4.21 0.03 0.00 0.02 0.00 0.00 34.50 30.20 2bua s PRO 255 CO 0.02 -2.13 -0.09 -0.47 -0.33 0.00 0.00 177.00 174.00 2bua s TYR 256 N 7.10 1.65 -0.28 6.54 6.14 -0.75 -4.53 117.35 133.22 2bua s TYR 256 Ca 0.63 -0.87 -0.20 0.00 0.64 0.00 0.00 57.07 57.27 2bua s TYR 256 Cb -0.14 -1.32 -0.02 0.00 0.42 0.00 0.00 41.96 40.90 2bua s TYR 256 CO 0.26 -0.56 0.61 -1.25 0.64 0.00 0.00 175.55 175.26 2bua s PRO 257 N 1.65 4.00 0.51 4.97 0.04 -1.26 -4.47 135.00 140.44 2bua s PRO 257 Ca 0.05 0.39 -0.03 0.00 0.04 0.00 0.00 61.00 61.45 2bua s PRO 257 Cb -0.13 -3.69 -0.00 0.00 0.04 0.00 0.00 34.50 30.72 2bua s PRO 257 CO -0.09 -0.48 0.77 0.15 0.04 0.00 0.00 177.00 177.40 2bua s LYS 258 N 2.52 3.09 -0.27 4.56 1.02 -1.26 -0.50 119.74 128.90 2bua s LYS 258 Ca 0.25 -0.19 -0.37 0.00 0.02 0.00 0.00 55.97 55.68 2bua s LYS 258 Cb -0.15 -2.42 -0.17 0.00 -0.52 0.00 0.00 37.83 34.57 2bua s LYS 258 CO 0.10 -0.42 1.18 0.00 -0.92 0.00 0.00 175.35 175.30 2bua n ALA 259 N -2.30 -1.85 -0.61 5.17 0.00 -0.23 -0.20 120.51 120.49 2bua n ALA 259 Ca 0.02 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.91 2bua n ALA 259 Cb 0.57 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 18.46 2bua n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bua n GLY 260 N 2.60 1.45 3.93 0.00 0.00 -1.26 -4.88 105.19 107.03 2bua n GLY 260 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 2bua n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bua s ALA 261 N -3.29 2.32 0.06 4.61 0.00 0.72 -4.99 121.76 121.19 2bua s ALA 261 Ca 0.00 -1.15 -0.31 0.00 0.00 0.00 0.00 51.96 50.50 2bua s ALA 261 Cb 0.00 -2.78 -0.07 0.00 0.00 0.00 0.00 23.12 20.27 2bua s ALA 261 CO 0.00 -2.33 1.37 -2.00 0.00 0.00 0.00 175.76 172.80 2bua s GLU 262 N -5.84 4.32 0.39 0.00 2.56 -1.26 -4.90 118.70 113.97 2bua s GLU 262 Ca 0.72 1.99 0.02 0.00 0.00 0.00 0.00 54.97 57.71 2bua s GLU 262 Cb -0.05 -3.40 -0.01 0.00 2.00 0.00 0.00 34.13 32.67 2bua s GLU 262 CO 0.52 -0.47 0.57 -0.80 -0.56 0.00 0.00 175.26 174.53 2bua s ASN 263 N 1.43 5.99 0.37 -1.70 0.01 -1.26 -4.42 114.94 115.36 2bua s ASN 263 Ca 0.64 0.18 -0.25 0.00 -0.71 0.00 0.00 52.86 52.72 2bua s ASN 263 Cb -0.34 -1.58 -0.09 0.00 0.41 0.00 0.00 41.25 39.65 2bua s ASN 263 CO 0.29 -0.51 1.04 -2.16 -1.51 0.00 0.00 177.10 174.24 2bua s PRO 264 N -4.37 4.29 0.46 -0.60 0.04 -1.26 -4.77 135.00 128.78 2bua s PRO 264 Ca 0.45 1.51 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2bua s PRO 264 Cb -0.10 -2.65 -0.00 0.00 0.04 0.00 0.00 34.50 31.79 2bua s PRO 264 CO 0.35 -0.03 0.68 0.95 0.04 0.00 0.00 177.00 178.99 2bua s THR 265 N -1.60 3.94 0.03 1.26 -4.23 -0.83 -4.89 115.64 109.32 2bua s THR 265 Ca 0.55 -0.50 -0.01 0.00 -1.18 0.00 0.00 61.69 60.55 2bua s THR 265 Cb -0.22 -3.46 -0.03 0.00 1.34 0.00 0.00 72.50 70.13 2bua s THR 265 CO 0.28 -0.32 -0.02 0.54 -0.54 0.00 0.00 174.62 174.56 2bua s VAL 266 N -2.57 0.16 0.03 2.29 0.11 -1.26 -1.42 120.40 117.73 2bua s VAL 266 Ca 0.49 -1.29 0.01 0.00 -2.93 0.00 0.00 61.98 58.26 2bua s VAL 266 Cb -0.10 -0.84 -0.02 0.00 -1.53 0.00 0.00 36.38 33.89 2bua s VAL 266 CO 0.38 -0.71 -0.05 -0.54 -3.33 0.00 0.00 175.10 170.84 2bua s LYS 267 N -2.58 0.41 -0.09 1.54 1.02 -0.47 -4.97 119.74 114.60 2bua s LYS 267 Ca -0.06 -0.62 0.03 0.00 0.02 0.00 0.00 55.97 55.35 2bua s LYS 267 Cb -0.02 -0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.17 2bua s LYS 267 CO -0.05 0.01 -0.20 0.12 -0.92 0.00 0.00 175.35 174.31 2bua s PHE 268 N -1.24 2.23 0.07 3.18 5.36 -1.26 -0.83 117.98 125.49 2bua s PHE 268 Ca -0.11 -0.90 0.07 0.00 -0.96 0.00 0.00 56.93 55.03 2bua s PHE 268 Cb -0.09 -1.52 -0.03 0.00 -0.34 0.00 0.00 43.02 41.05 2bua s PHE 268 CO -0.00 -0.38 -0.19 -0.06 -1.46 0.00 0.00 175.22 173.13 2bua s PHE 269 N 0.45 1.62 -0.22 10.12 0.40 -0.42 -1.56 117.98 128.36 2bua s PHE 269 Ca -0.17 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 55.78 2bua s PHE 269 Cb -0.17 -0.93 0.04 0.00 0.51 0.00 0.00 43.02 42.47 2bua s PHE 269 CO 0.07 0.12 -0.14 0.08 0.70 0.00 0.00 175.22 176.05 2bua s VAL 270 N -1.01 2.05 -0.17 -0.44 1.01 -0.06 -1.46 120.40 120.32 2bua s VAL 270 Ca 0.05 -1.31 -0.13 0.00 0.00 0.00 0.00 61.98 60.59 2bua s VAL 270 Cb -0.09 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 2bua s VAL 270 CO 0.03 0.19 0.25 -0.69 0.00 0.00 0.00 175.10 174.87 2bua s VAL 271 N 1.21 5.34 -0.53 2.92 1.01 0.39 -1.03 120.40 129.70 2bua s VAL 271 Ca -0.03 0.45 -0.24 0.00 0.00 0.00 0.00 61.98 62.16 2bua s VAL 271 Cb -0.17 -3.59 0.04 0.00 0.00 0.00 0.00 36.38 32.66 2bua s VAL 271 CO -0.08 0.40 0.89 -0.62 0.00 0.00 0.00 175.10 175.69 2bua s ASP 272 N 0.45 6.34 0.14 3.32 3.68 -0.12 -0.63 116.67 129.86 2bua s ASP 272 Ca 0.14 -0.36 0.23 0.00 2.13 0.00 0.00 52.55 54.69 2bua s ASP 272 Cb -0.12 -2.42 0.90 0.00 -1.45 0.00 0.00 42.92 39.83 2bua s ASP 272 CO 0.02 -1.15 1.70 0.35 0.13 0.00 0.00 175.17 176.22 2bua n THR 273 N 6.14 0.68 -0.05 1.71 -2.24 -0.27 -3.69 114.28 116.56 2bua n THR 273 Ca 0.01 0.07 0.06 0.00 -2.27 0.00 0.00 64.05 61.93 2bua n THR 273 Cb 0.47 -0.88 0.43 0.00 -2.10 0.00 0.00 70.33 68.26 2bua n THR 273 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2bua h ARG 274 N 0.00 0.54 -0.24 -0.78 3.08 -1.91 -2.39 114.38 112.68 2bua h ARG 274 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2bua h ARG 274 Cb 0.45 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2bua h ARG 274 CO 0.00 0.36 0.00 0.25 -1.07 0.00 0.00 179.97 179.51 2bua n THR 275 N -4.47 0.30 -1.78 2.04 -2.24 -1.24 -4.93 114.28 101.96 2bua n THR 275 Ca 0.06 -0.53 -0.42 0.00 -2.27 0.00 0.00 64.05 60.89 2bua n THR 275 Cb 0.15 0.75 -0.03 0.00 -2.10 0.00 0.00 70.33 69.10 2bua n THR 275 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2bua s LEU 276 N -1.60 4.40 -0.06 3.22 1.43 -0.90 -4.84 118.68 120.33 2bua s LEU 276 Ca 0.35 2.55 -0.24 0.00 -1.03 0.00 0.00 54.13 55.76 2bua s LEU 276 Cb 0.20 -3.53 0.05 0.00 0.03 0.00 0.00 46.19 42.94 2bua s LEU 276 CO 0.29 -1.01 0.53 -0.55 0.23 0.00 0.00 176.35 175.84 2bua s SER 277 N 3.94 -0.48 0.47 2.29 0.15 -1.26 -5.04 113.70 113.76 2bua s SER 277 Ca 0.83 0.55 0.22 0.00 0.70 0.00 0.00 55.95 58.25 2bua s SER 277 Cb -0.40 0.54 1.23 0.00 -1.71 0.00 0.00 66.02 65.68 2bua s SER 277 CO 0.37 -0.49 1.90 1.55 1.20 0.00 0.00 173.24 177.77 2bua h PRO 278 N 3.62 0.24 -0.42 5.44 0.13 -1.98 -1.82 132.00 137.21 2bua h PRO 278 Ca -0.28 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.79 2bua h PRO 278 Cb 1.16 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 2bua h PRO 278 CO 0.36 0.16 0.03 0.09 -0.23 0.00 0.00 178.00 178.41 2bua n ASN 279 N -4.42 4.43 -4.43 1.44 3.02 -1.26 -4.96 115.26 109.07 2bua n ASN 279 Ca 0.17 -3.08 -0.26 0.00 -0.03 0.00 0.00 54.58 51.38 2bua n ASN 279 Cb 0.73 -0.62 -0.11 0.00 -0.61 0.00 0.00 39.78 39.16 2bua n ASN 279 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bua s ALA 280 N -2.87 2.58 0.96 5.41 0.00 -0.69 -5.14 121.76 122.00 2bua s ALA 280 Ca 0.48 -1.69 -0.16 0.00 0.00 0.00 0.00 51.96 50.59 2bua s ALA 280 Cb 0.38 -0.31 0.20 0.00 0.00 0.00 0.00 23.12 23.38 2bua s ALA 280 CO 0.11 0.40 1.32 -1.54 0.00 0.00 0.00 175.76 176.04 2bua s SER 281 N -2.84 3.15 -0.17 0.00 1.04 -1.26 -4.64 113.70 108.99 2bua s SER 281 Ca 0.23 0.27 -0.15 0.00 0.48 0.00 0.00 55.95 56.77 2bua s SER 281 Cb -0.07 -0.32 -0.04 0.00 0.10 0.00 0.00 66.02 65.68 2bua s SER 281 CO 0.11 -2.71 0.37 -0.69 0.98 0.00 0.00 173.24 171.30 2bua s VAL 282 N -3.88 5.24 -0.42 5.02 1.01 -1.26 -4.79 120.40 121.33 2bua s VAL 282 Ca 0.74 0.69 -0.19 0.00 0.00 0.00 0.00 61.98 63.21 2bua s VAL 282 Cb -0.04 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.65 2bua s VAL 282 CO 0.53 0.33 0.56 -0.89 0.00 0.00 0.00 175.10 175.63 2bua s THR 283 N 0.79 4.93 0.05 3.92 2.01 -1.26 -5.03 115.64 121.05 2bua s THR 283 Ca 0.19 0.02 -0.06 0.00 0.31 0.00 0.00 61.69 62.16 2bua s THR 283 Cb -0.14 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.24 2bua s THR 283 CO 0.07 -0.49 0.11 -0.94 -0.69 0.00 0.00 174.62 172.68 2bua s SER 284 N 1.91 0.20 0.01 3.53 1.04 -1.26 -0.94 113.70 118.19 2bua s SER 284 Ca 0.19 -0.63 0.07 0.00 0.48 0.00 0.00 55.95 56.06 2bua s SER 284 Cb -0.15 0.26 -0.02 0.00 0.10 0.00 0.00 66.02 66.21 2bua s SER 284 CO 0.16 -0.59 -0.20 -0.47 0.98 0.00 0.00 173.24 173.12 2bua s TYR 285 N -3.18 1.79 -0.25 5.02 5.04 -0.20 -4.94 117.35 120.62 2bua s TYR 285 Ca -0.00 -0.35 -0.09 0.00 -2.44 0.00 0.00 57.07 54.18 2bua s TYR 285 Cb 0.02 -1.11 -0.04 0.00 0.35 0.00 0.00 41.96 41.18 2bua s TYR 285 CO -0.07 0.03 0.13 -1.14 -1.34 0.00 0.00 175.55 173.16 2bua s GLN 286 N -0.82 3.90 -0.27 4.97 0.74 -1.26 -0.88 119.66 126.03 2bua s GLN 286 Ca 0.07 -0.36 -0.12 0.00 0.05 0.00 0.00 55.36 55.01 2bua s GLN 286 Cb -0.08 -3.47 -0.05 0.00 1.10 0.00 0.00 33.01 30.51 2bua s GLN 286 CO 0.00 -0.06 0.24 0.42 -0.55 0.00 0.00 175.29 175.34 2bua s ILE 287 N 1.36 5.28 0.23 -2.34 1.01 -0.60 -5.00 121.20 121.14 2bua s ILE 287 Ca 0.06 0.28 0.01 0.00 0.00 0.00 0.00 60.65 61.01 2bua s ILE 287 Cb -0.15 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 2bua s ILE 287 CO 0.06 0.24 0.39 0.68 0.00 0.00 0.00 174.94 176.31 2bua s VAL 288 N 1.74 5.22 0.85 2.92 -7.23 -1.26 -4.16 120.40 118.48 2bua s VAL 288 Ca 0.09 -0.60 -0.11 0.00 -1.81 0.00 0.00 61.98 59.56 2bua s VAL 288 Cb -0.16 -3.79 0.10 0.00 0.56 0.00 0.00 36.38 33.09 2bua s VAL 288 CO 0.10 -0.27 1.09 -2.16 -0.31 0.00 0.00 175.10 173.55 2bua s PRO 289 N -3.66 1.67 0.71 4.82 0.04 -1.26 -4.99 135.00 132.33 2bua s PRO 289 Ca 0.37 0.84 -0.16 0.00 0.04 0.00 0.00 61.00 62.10 2bua s PRO 289 Cb -0.10 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.61 2bua s PRO 289 CO 0.30 -1.96 1.22 -2.14 0.04 0.00 0.00 177.00 174.46 2bua s PRO 290 N -4.98 2.25 0.32 0.56 0.02 -1.26 -4.72 135.00 127.19 2bua s PRO 290 Ca 0.62 1.81 0.08 0.00 0.02 0.00 0.00 61.00 63.53 2bua s PRO 290 Cb -0.17 -1.84 0.81 0.00 0.02 0.00 0.00 34.50 33.32 2bua s PRO 290 CO 0.56 -1.77 1.78 0.00 -0.33 0.00 0.00 177.00 177.25 2bua h ALA 291 N -0.11 1.78 0.00 -1.55 0.00 -1.99 -0.39 119.26 117.01 2bua h ALA 291 Ca -0.48 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2bua h ALA 291 Cb 1.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2bua h ALA 291 CO 0.50 -0.15 0.00 -1.13 0.00 0.00 0.00 179.25 178.47 2bua n SER 292 N -4.73 0.23 -0.05 0.00 3.41 -1.26 -1.94 113.62 109.28 2bua n SER 292 Ca 0.23 0.61 -0.06 0.00 -0.26 0.00 0.00 58.87 59.39 2bua n SER 292 Cb 0.62 -0.63 -0.08 0.00 -0.26 0.00 0.00 64.21 63.85 2bua n SER 292 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2bua n VAL 293 N -1.80 0.74 0.29 -3.33 0.31 -0.19 -4.50 118.33 109.84 2bua n VAL 293 Ca -0.01 -0.44 0.14 0.00 -0.01 0.00 0.00 64.34 64.02 2bua n VAL 293 Cb 0.02 -0.74 0.67 0.00 -0.91 0.00 0.00 33.84 32.87 2bua n VAL 293 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2bua h LEU 294 N 0.00 0.00 -0.64 7.52 3.38 -0.96 -3.24 115.31 121.37 2bua h LEU 294 Ca -0.29 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.75 2bua h LEU 294 Cb 1.65 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.30 2bua h LEU 294 CO 0.01 0.00 -0.54 0.40 0.09 0.00 0.00 178.44 178.40 2bua h ILE 295 N 0.00 0.02 -1.37 1.22 2.04 -1.76 -3.45 117.51 114.20 2bua h ILE 295 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2bua h ILE 295 Cb 0.20 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 2bua h ILE 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76 2bua n GLY 296 N -1.35 5.98 3.75 5.37 0.00 -1.22 -5.12 105.19 112.59 2bua n GLY 296 Ca -0.00 -1.60 -0.37 0.00 0.00 0.00 0.00 46.02 44.04 2bua n GLY 296 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bua s ASP 297 N 1.00 5.10 0.36 1.61 1.01 -1.26 -4.94 116.67 119.55 2bua s ASP 297 Ca 0.00 2.54 -0.09 0.00 0.71 0.00 0.00 52.55 55.71 2bua s ASP 297 Cb 0.00 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.34 2bua s ASP 297 CO 0.00 -1.67 0.62 -1.38 0.21 0.00 0.00 175.17 172.95 2bua s HIS 298 N -1.46 0.61 0.07 4.23 -3.43 -1.26 -1.69 115.29 112.37 2bua s HIS 298 Ca 0.77 -1.05 0.01 0.00 -0.80 0.00 0.00 55.06 53.99 2bua s HIS 298 Cb -0.35 0.34 -0.04 0.00 -1.43 0.00 0.00 32.58 31.11 2bua s HIS 298 CO 0.38 -1.33 -0.06 0.71 -2.00 0.00 0.00 174.74 172.44 2bua s TYR 299 N -2.75 0.73 -0.28 0.38 2.02 -0.21 -4.82 117.35 112.41 2bua s TYR 299 Ca 0.23 -0.81 -0.10 0.00 -0.37 0.00 0.00 57.07 56.03 2bua s TYR 299 Cb -0.03 -0.44 -0.03 0.00 -0.40 0.00 0.00 41.96 41.06 2bua s TYR 299 CO 0.16 -0.17 0.14 -1.17 -1.57 0.00 0.00 175.55 172.94 2bua s LEU 300 N -2.53 3.89 0.00 -1.29 2.96 -1.26 -1.92 118.68 118.53 2bua s LEU 300 Ca 0.03 -0.25 0.07 0.00 -0.22 0.00 0.00 54.13 53.77 2bua s LEU 300 Cb 0.01 -2.03 0.01 0.00 0.50 0.00 0.00 46.19 44.68 2bua s LEU 300 CO -0.04 -0.10 0.56 0.00 -1.32 0.00 0.00 176.35 175.45 2bua s GLY 302 N -0.96 -0.27 -0.04 0.00 0.00 -1.05 -4.85 107.32 100.15 2bua s GLY 302 Ca 0.06 2.42 0.02 0.00 0.00 0.00 0.00 44.72 47.22 2bua s GLY 302 CO 0.15 1.71 -0.07 0.14 0.00 0.00 0.00 173.10 175.04 2bua s VAL 303 N 0.10 0.69 -0.10 1.40 1.01 -1.26 -1.07 120.40 121.16 2bua s VAL 303 Ca 0.01 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 2bua s VAL 303 Cb -0.04 -0.65 0.05 0.00 0.00 0.00 0.00 36.38 35.74 2bua s VAL 303 CO -0.03 0.24 0.21 -0.89 0.00 0.00 0.00 175.10 174.63 2bua s THR 304 N 0.55 -0.26 0.12 3.92 2.01 -0.28 -5.01 115.64 116.69 2bua s THR 304 Ca -0.08 0.27 -0.30 0.00 0.31 0.00 0.00 61.69 61.89 2bua s THR 304 Cb -0.12 -0.36 -0.06 0.00 0.01 0.00 0.00 72.50 71.97 2bua s THR 304 CO 0.01 0.11 0.96 0.26 -0.69 0.00 0.00 174.62 175.27 2bua s TRP 305 N 2.03 3.83 -0.27 4.92 0.52 -1.26 -0.10 118.94 128.61 2bua s TRP 305 Ca -0.01 1.81 -0.15 0.00 0.02 0.00 0.00 56.10 57.77 2bua s TRP 305 Cb -0.12 -3.04 -0.12 0.00 -1.15 0.00 0.00 33.47 29.04 2bua s TRP 305 CO -0.07 0.23 -0.32 0.28 0.02 0.00 0.00 176.95 177.09 2bua n VAL 306 N 2.66 1.53 -4.03 4.03 0.31 0.82 -4.92 118.33 118.75 2bua n VAL 306 Ca 0.02 -0.35 -0.14 0.00 -0.01 0.00 0.00 64.34 63.86 2bua n VAL 306 Cb 0.49 -1.90 -0.03 0.00 -0.91 0.00 0.00 33.84 31.49 2bua n VAL 306 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2bua n THR 307 N -4.27 0.00 0.27 2.52 -2.24 -0.87 -4.80 114.28 104.89 2bua n THR 307 Ca -0.52 -1.67 0.07 0.00 -2.27 0.00 0.00 64.05 59.65 2bua n THR 307 Cb 0.87 1.04 0.30 0.00 -2.10 0.00 0.00 70.33 70.44 2bua n THR 307 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2bua n GLU 308 N -0.55 0.06 -0.17 -0.78 -0.58 -1.26 -2.43 120.64 114.93 2bua n GLU 308 Ca 0.00 0.43 0.03 0.00 -0.42 0.00 0.00 57.16 57.20 2bua n GLU 308 Cb 0.56 -1.65 0.05 0.00 -0.57 0.00 0.00 31.44 29.82 2bua n GLU 308 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2bua n GLU 309 N -1.78 1.00 -3.65 3.49 1.02 -1.26 -4.94 120.64 114.53 2bua n GLU 309 Ca 0.01 -1.53 -0.18 0.00 -0.02 0.00 0.00 57.16 55.44 2bua n GLU 309 Cb 0.11 -0.93 -0.16 0.00 -0.02 0.00 0.00 31.44 30.44 2bua n GLU 309 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2bua s ARG 310 N -1.14 0.02 0.03 3.49 3.52 -1.02 -0.26 118.95 123.59 2bua s ARG 310 Ca 0.11 0.45 0.09 0.00 -0.13 0.00 0.00 55.73 56.24 2bua s ARG 310 Cb 0.09 -0.51 -0.03 0.00 -1.56 0.00 0.00 34.95 32.94 2bua s ARG 310 CO 0.01 -0.37 -0.26 -1.50 -0.81 0.00 0.00 175.30 172.38 2bua s ILE 311 N 2.26 2.17 -0.21 4.11 2.07 -0.57 -0.12 121.20 130.90 2bua s ILE 311 Ca 0.04 -1.30 -0.03 0.00 -1.41 0.00 0.00 60.65 57.94 2bua s ILE 311 Cb -0.13 -1.82 -0.01 0.00 0.13 0.00 0.00 42.46 40.63 2bua s ILE 311 CO -0.06 0.42 -0.05 -0.55 -1.91 0.00 0.00 174.94 172.79 2bua s SER 312 N -1.09 4.29 -0.07 4.50 0.15 0.86 -0.42 113.70 121.92 2bua s SER 312 Ca 0.11 -0.37 0.03 0.00 0.70 0.00 0.00 55.95 56.43 2bua s SER 312 Cb -0.10 -1.73 -0.02 0.00 -1.71 0.00 0.00 66.02 62.46 2bua s SER 312 CO 0.01 0.01 -0.17 -0.76 1.20 0.00 0.00 173.24 173.54 2bua s LEU 313 N 1.29 2.56 -0.21 3.45 1.43 0.47 -1.13 118.68 126.54 2bua s LEU 313 Ca 0.04 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 52.82 2bua s LEU 313 Cb -0.14 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.57 2bua s LEU 313 CO -0.02 0.28 -0.12 -1.58 0.23 0.00 0.00 176.35 175.14 2bua s GLN 314 N -0.36 3.00 0.19 1.70 0.74 -0.24 0.19 119.66 124.89 2bua s GLN 314 Ca 0.03 -0.85 0.09 0.00 0.05 0.00 0.00 55.36 54.68 2bua s GLN 314 Cb -0.12 -2.81 -0.04 0.00 1.10 0.00 0.00 33.01 31.14 2bua s GLN 314 CO 0.02 -0.28 -0.09 -1.58 -0.55 0.00 0.00 175.29 172.81 2bua s TRP 315 N 1.34 2.63 0.01 1.67 0.52 -0.17 -1.10 118.94 123.83 2bua s TRP 315 Ca 0.03 -0.22 -0.02 0.00 0.02 0.00 0.00 56.10 55.91 2bua s TRP 315 Cb -0.15 -1.27 -0.01 0.00 -1.15 0.00 0.00 33.47 30.89 2bua s TRP 315 CO -0.08 0.52 0.02 -1.50 0.02 0.00 0.00 176.95 175.93 2bua s ILE 316 N -1.76 0.08 0.73 2.03 2.07 -0.81 -0.44 121.20 123.10 2bua s ILE 316 Ca 0.25 -0.65 -0.11 0.00 -1.41 0.00 0.00 60.65 58.74 2bua s ILE 316 Cb -0.09 -0.24 0.03 0.00 0.13 0.00 0.00 42.46 42.29 2bua s ILE 316 CO 0.15 -0.36 1.07 -0.13 -1.91 0.00 0.00 174.94 173.77 2bua s ARG 317 N -1.09 2.66 0.37 3.50 0.52 -0.50 -1.05 118.95 123.37 2bua s ARG 317 Ca -0.12 0.92 0.07 0.00 -0.52 0.00 0.00 55.73 56.09 2bua s ARG 317 Cb -0.07 -1.96 0.79 0.00 0.52 0.00 0.00 34.95 34.22 2bua s ARG 317 CO -0.00 -1.29 1.95 -0.09 0.02 0.00 0.00 175.30 175.89 2bua h ARG 318 N -0.86 0.68 -0.32 3.54 2.43 -1.64 -0.08 114.38 118.14 2bua h ARG 318 Ca -0.44 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2bua h ARG 318 Cb 1.22 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 2bua h ARG 318 CO 0.56 0.45 0.20 0.00 -1.51 0.00 0.00 179.97 179.67 2bua h ALA 319 N 1.62 1.75 -1.15 2.80 0.00 -1.92 -3.45 119.26 118.90 2bua h ALA 319 Ca 0.32 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 2bua h ALA 319 Cb 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2bua h ALA 319 CO -0.11 0.23 -0.21 1.04 0.00 0.00 0.00 179.25 180.20 2bua n GLN 320 N -4.47 -0.65 -0.03 0.00 6.02 -0.04 -4.63 117.38 113.57 2bua n GLN 320 Ca 0.02 0.39 0.01 0.00 -0.01 0.00 0.00 57.00 57.41 2bua n GLN 320 Cb 0.08 -4.33 0.02 0.00 1.02 0.00 0.00 30.24 27.03 2bua n GLN 320 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2bua n ASN 321 N 0.46 1.60 -3.42 1.08 6.94 -1.26 -1.87 115.26 118.79 2bua n ASN 321 Ca -0.09 -1.96 -0.14 0.00 -0.02 0.00 0.00 54.58 52.37 2bua n ASN 321 Cb 0.57 -0.07 -0.10 0.00 -2.36 0.00 0.00 39.78 37.82 2bua n ASN 321 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 2bua s TYR 322 N -1.02 -0.55 0.22 -2.53 6.14 -1.26 -1.53 117.35 116.82 2bua s TYR 322 Ca 0.04 0.53 0.09 0.00 0.64 0.00 0.00 57.07 58.37 2bua s TYR 322 Cb 0.04 -0.17 -0.05 0.00 0.42 0.00 0.00 41.96 42.20 2bua s TYR 322 CO 0.00 -0.66 -0.15 -1.54 0.64 0.00 0.00 175.55 173.84 2bua s SER 323 N 2.44 2.77 -0.10 4.32 1.04 -0.20 -1.41 113.70 122.56 2bua s SER 323 Ca 0.10 -1.02 -0.10 0.00 0.48 0.00 0.00 55.95 55.40 2bua s SER 323 Cb -0.16 -0.17 0.03 0.00 0.10 0.00 0.00 66.02 65.82 2bua s SER 323 CO -0.14 -0.13 0.28 -0.51 0.98 0.00 0.00 173.24 173.73 2bua s ILE 324 N -2.88 0.01 -0.22 -1.02 2.07 0.42 -1.24 121.20 118.34 2bua s ILE 324 Ca 0.24 -0.06 -0.08 0.00 -1.41 0.00 0.00 60.65 59.33 2bua s ILE 324 Cb -0.02 -0.42 -0.04 0.00 0.13 0.00 0.00 42.46 42.11 2bua s ILE 324 CO 0.08 -0.03 0.10 -0.63 -1.91 0.00 0.00 174.94 172.55 2bua s ILE 325 N -0.02 4.88 -0.21 2.00 1.01 -0.34 -1.00 121.20 127.51 2bua s ILE 325 Ca -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 60.65 60.64 2bua s ILE 325 Cb -0.02 -3.24 0.02 0.00 0.01 0.00 0.00 42.46 39.22 2bua s ILE 325 CO 0.01 0.39 -0.13 -0.62 0.00 0.00 0.00 174.94 174.59 2bua s ASP 326 N 0.87 3.73 -0.42 3.58 2.15 0.13 -1.64 116.67 125.07 2bua s ASP 326 Ca 0.05 -0.69 -0.12 0.00 0.43 0.00 0.00 52.55 52.21 2bua s ASP 326 Cb -0.13 -1.58 0.05 0.00 -0.30 0.00 0.00 42.92 40.96 2bua s ASP 326 CO 0.03 -0.04 0.28 -0.63 -0.17 0.00 0.00 175.17 174.64 2bua s ILE 327 N 1.32 4.78 -0.16 4.11 1.01 -1.18 -0.40 121.20 130.68 2bua s ILE 327 Ca 0.03 -1.01 -0.09 0.00 0.00 0.00 0.00 60.65 59.58 2bua s ILE 327 Cb -0.15 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.50 2bua s ILE 327 CO -0.09 -0.40 0.16 0.00 0.00 0.00 0.00 174.94 174.61 2bua s ASP 329 N -0.14 5.82 0.01 0.00 1.01 0.38 -1.52 116.67 122.23 2bua s ASP 329 Ca 0.12 0.26 -0.30 0.00 0.71 0.00 0.00 52.55 53.34 2bua s ASP 329 Cb -0.12 -1.84 -0.04 0.00 1.01 0.00 0.00 42.92 41.93 2bua s ASP 329 CO 0.01 0.34 1.14 -0.47 0.21 0.00 0.00 175.17 176.40 2bua s TYR 330 N -0.61 3.43 -0.48 4.23 5.04 0.64 -0.69 117.35 128.91 2bua s TYR 330 Ca 0.11 1.39 -0.17 0.00 -2.44 0.00 0.00 57.07 55.96 2bua s TYR 330 Cb -0.12 -3.34 0.06 0.00 0.35 0.00 0.00 41.96 38.92 2bua s TYR 330 CO 0.02 -0.94 0.49 0.34 -1.34 0.00 0.00 175.55 174.11 2bua s ASP 331 N 1.15 6.18 0.65 4.32 -1.08 0.32 -4.95 116.67 123.26 2bua s ASP 331 Ca 0.56 -1.14 0.44 0.00 -0.52 0.00 0.00 52.55 51.89 2bua s ASP 331 Cb -0.26 -2.23 2.37 0.00 -1.46 0.00 0.00 42.92 41.35 2bua s ASP 331 CO 0.27 -0.74 2.34 -0.33 0.52 0.00 0.00 175.17 177.22 2bua h GLU 332 N 8.85 0.00 -0.02 4.34 5.08 -1.94 0.92 114.58 131.81 2bua h GLU 332 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2bua h GLU 332 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2bua h GLU 332 CO 0.91 0.00 -0.20 -1.13 -1.00 0.00 0.00 179.01 177.58 2bua n SER 333 N -3.03 2.10 0.00 1.42 3.41 -1.26 -4.44 113.62 111.82 2bua n SER 333 Ca -0.03 -1.57 0.00 0.00 -0.26 0.00 0.00 58.87 57.01 2bua n SER 333 Cb 0.07 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 2bua n SER 333 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2bua n THR 334 N 0.36 0.00 -1.00 6.66 -2.24 -0.99 -5.02 114.28 112.05 2bua n THR 334 Ca 0.13 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2bua n THR 334 Cb 0.47 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 2bua n THR 334 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bua n GLY 335 N 0.40 0.78 3.87 3.38 0.00 0.28 -5.02 105.19 108.88 2bua n GLY 335 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2bua n GLY 335 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bua s ARG 336 N -0.00 3.79 -0.37 1.61 0.52 -1.24 -4.81 118.95 118.45 2bua s ARG 336 Ca 0.00 0.62 -0.04 0.00 -0.52 0.00 0.00 55.73 55.79 2bua s ARG 336 Cb 0.00 -2.28 0.07 0.00 0.52 0.00 0.00 34.95 33.26 2bua s ARG 336 CO 0.00 -0.17 0.14 -1.58 0.02 0.00 0.00 175.30 173.70 2bua s TRP 337 N -2.56 3.39 0.01 -0.53 0.52 -1.26 -0.52 118.94 117.99 2bua s TRP 337 Ca 0.54 -1.92 -0.11 0.00 0.02 0.00 0.00 56.10 54.62 2bua s TRP 337 Cb -0.10 -2.68 -0.05 0.00 -1.15 0.00 0.00 33.47 29.48 2bua s TRP 337 CO 0.35 -0.86 0.35 0.42 0.02 0.00 0.00 176.95 177.23 2bua s ILE 338 N 1.27 5.14 0.22 2.03 1.01 0.13 -4.81 121.20 126.19 2bua s ILE 338 Ca 0.02 0.57 0.11 0.00 0.00 0.00 0.00 60.65 61.35 2bua s ILE 338 Cb -0.21 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.58 2bua s ILE 338 CO -0.01 0.48 -0.21 -0.94 0.00 0.00 0.00 174.94 174.26 2bua s SER 339 N -1.33 3.32 0.03 3.58 1.04 -1.26 -0.47 113.70 118.60 2bua s SER 339 Ca 0.26 -0.93 0.01 0.00 0.48 0.00 0.00 55.95 55.76 2bua s SER 339 Cb -0.15 -0.25 -0.02 0.00 0.10 0.00 0.00 66.02 65.70 2bua s SER 339 CO 0.14 0.05 -0.05 -0.94 0.98 0.00 0.00 173.24 173.42 2bua s SER 340 N -3.01 0.45 0.56 7.02 1.04 -1.26 -5.03 113.70 113.47 2bua s SER 340 Ca 0.23 -0.47 0.25 0.00 0.48 0.00 0.00 55.95 56.45 2bua s SER 340 Cb -0.06 0.07 1.50 0.00 0.10 0.00 0.00 66.02 67.62 2bua s SER 340 CO 0.11 -0.23 2.07 0.58 0.98 0.00 0.00 173.24 176.75 2bua h VAL 341 N 4.64 0.66 -0.01 5.02 2.07 -1.99 -0.28 116.25 126.37 2bua h VAL 341 Ca -0.33 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 2bua h VAL 341 Cb 1.21 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 2bua h VAL 341 CO 0.42 0.00 -0.45 0.00 0.02 0.00 0.00 177.57 177.56 2bua h ALA 342 N 1.80 1.24 -0.48 1.67 0.00 -1.94 -2.82 119.26 118.73 2bua h ALA 342 Ca 0.12 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2bua h ALA 342 Cb 0.57 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2bua h ALA 342 CO -0.00 0.56 0.00 0.54 0.00 0.00 0.00 179.25 180.35 2bua n ARG 343 N -4.01 4.04 -4.26 0.00 1.74 -0.12 -3.81 116.66 110.24 2bua n ARG 343 Ca -0.02 -2.53 -0.35 0.00 -0.77 0.00 0.00 57.85 54.19 2bua n ARG 343 Cb 0.47 -2.08 -0.09 0.00 -1.02 0.00 0.00 32.46 29.74 2bua n ARG 343 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2bua s GLN 344 N -2.34 3.28 -0.17 5.56 -0.21 -1.07 -3.12 119.66 121.60 2bua s GLN 344 Ca 0.44 -0.38 -0.00 0.00 0.02 0.00 0.00 55.36 55.44 2bua s GLN 344 Cb 0.33 -2.92 0.04 0.00 1.00 0.00 0.00 33.01 31.46 2bua s GLN 344 CO 0.14 0.59 -0.05 -1.01 -2.12 0.00 0.00 175.29 172.83 2bua s HIS 345 N -0.54 1.73 0.15 0.91 3.76 -0.65 -4.87 115.29 115.76 2bua s HIS 345 Ca 0.10 -1.10 -0.15 0.00 -0.15 0.00 0.00 55.06 53.76 2bua s HIS 345 Cb -0.12 -1.33 -0.07 0.00 1.11 0.00 0.00 32.58 32.17 2bua s HIS 345 CO 0.02 -0.62 0.56 0.42 -0.85 0.00 0.00 174.74 174.27 2bua s ILE 346 N 1.63 4.83 -0.08 0.60 1.01 -1.26 -1.20 121.20 126.72 2bua s ILE 346 Ca 0.01 0.88 -0.03 0.00 0.00 0.00 0.00 60.65 61.51 2bua s ILE 346 Cb -0.15 -3.75 0.04 0.00 0.01 0.00 0.00 42.46 38.61 2bua s ILE 346 CO -0.08 0.26 0.09 -0.70 0.00 0.00 0.00 174.94 174.51 2bua s GLU 347 N -1.91 -0.02 0.32 2.79 2.12 -0.37 -5.00 118.70 116.63 2bua s GLU 347 Ca 0.38 0.33 0.06 0.00 0.36 0.00 0.00 54.97 56.10 2bua s GLU 347 Cb -0.15 -0.71 -0.06 0.00 0.26 0.00 0.00 34.13 33.46 2bua s GLU 347 CO 0.19 -0.40 0.00 0.96 -0.54 0.00 0.00 175.26 175.48 2bua s ILE 348 N 2.20 1.54 -0.04 -3.70 -4.36 -1.26 -1.03 121.20 114.55 2bua s ILE 348 Ca 0.04 -2.05 0.01 0.00 -0.26 0.00 0.00 60.65 58.39 2bua s ILE 348 Cb -0.13 -2.69 0.02 0.00 1.25 0.00 0.00 42.46 40.91 2bua s ILE 348 CO -0.05 -0.12 -0.04 -0.55 0.24 0.00 0.00 174.94 174.42 2bua s SER 349 N -3.51 0.81 -0.02 4.36 0.15 -0.58 -4.95 113.70 109.96 2bua s SER 349 Ca 0.33 -0.11 0.19 0.00 0.70 0.00 0.00 55.95 57.07 2bua s SER 349 Cb 0.07 -0.37 -0.28 0.00 -1.71 0.00 0.00 66.02 63.73 2bua s SER 349 CO 0.15 -0.04 0.52 0.35 1.20 0.00 0.00 173.24 175.41 2bua n THR 350 N 3.91 0.00 0.69 6.45 -2.24 -1.26 -4.42 114.28 117.41 2bua n THR 350 Ca -0.24 -0.35 0.08 0.00 -2.27 0.00 0.00 64.05 61.27 2bua n THR 350 Cb 0.51 0.29 0.05 0.00 -2.10 0.00 0.00 70.33 69.09 2bua n THR 350 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2bua n THR 351 N -2.00 0.00 0.00 4.28 -2.24 -1.26 -5.06 114.28 108.00 2bua n THR 351 Ca -0.02 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 2bua n THR 351 Cb 0.46 1.31 0.00 0.00 -2.10 0.00 0.00 70.33 70.00 2bua n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bua n GLY 352 N 0.96 -0.42 3.69 3.38 0.00 -1.26 -4.86 105.19 106.68 2bua n GLY 352 Ca 0.09 0.37 -0.24 0.00 0.00 0.00 0.00 46.02 46.24 2bua n GLY 352 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2bua s TRP 353 N 0.00 2.63 0.09 1.61 -2.14 -1.26 -4.60 118.94 115.26 2bua s TRP 353 Ca 0.00 -0.42 -0.25 0.00 2.66 0.00 0.00 56.10 58.09 2bua s TRP 353 Cb 0.00 -1.60 -0.06 0.00 -3.10 0.00 0.00 33.47 28.71 2bua s TRP 353 CO 0.00 0.39 0.77 0.08 -2.66 0.00 0.00 176.95 175.53 2bua s VAL 354 N -2.48 4.59 0.00 -0.66 1.01 -0.78 -4.82 120.40 117.25 2bua s VAL 354 Ca 0.37 1.66 0.00 0.00 0.00 0.00 0.00 61.98 64.01 2bua s VAL 354 Cb -0.01 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2bua s VAL 354 CO 0.21 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.35 2bua n GLY 355 N 2.07 -1.40 0.01 4.51 0.00 -1.26 -3.83 105.19 105.29 2bua n GLY 355 Ca -0.04 -1.18 -0.00 0.00 0.00 0.00 0.00 46.02 44.80 2bua n GLY 355 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2bua h ARG 356 N 0.00 0.00 0.00 1.61 3.08 -1.93 -3.43 114.38 113.71 2bua h ARG 356 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2bua h ARG 356 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2bua h ARG 356 CO 0.00 0.00 -1.37 1.19 -1.07 0.00 0.00 179.97 178.72 2bua n PHE 357 N -2.72 0.00 -3.49 3.04 3.72 -1.26 -4.90 117.46 111.85 2bua n PHE 357 Ca -0.01 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.30 2bua n PHE 357 Cb 0.02 -0.19 -0.02 0.00 -0.94 0.00 0.00 39.48 38.35 2bua n PHE 357 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2bua s ARG 358 N -2.58 0.98 0.60 -1.08 1.70 -1.26 -5.01 118.95 112.31 2bua s ARG 358 Ca -0.03 -0.37 -0.20 0.00 -0.47 0.00 0.00 55.73 54.66 2bua s ARG 358 Cb 0.06 0.45 -0.03 0.00 -0.57 0.00 0.00 34.95 34.86 2bua s ARG 358 CO 0.36 -0.43 1.32 -1.25 -1.08 0.00 0.00 175.30 174.22 2bua s PRO 359 N -3.33 2.81 0.64 3.89 0.04 -1.25 -4.43 135.00 133.37 2bua s PRO 359 Ca 0.04 2.14 -0.16 0.00 0.04 0.00 0.00 61.00 63.06 2bua s PRO 359 Cb -0.01 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 2bua s PRO 359 CO -0.10 -1.42 1.13 0.00 0.04 0.00 0.00 177.00 176.65 2bua s ALA 360 N -1.35 2.48 0.25 8.56 0.00 -1.26 -4.96 121.76 125.48 2bua s ALA 360 Ca 0.78 0.67 -0.21 0.00 0.00 0.00 0.00 51.96 53.19 2bua s ALA 360 Cb -0.39 -3.35 -0.09 0.00 0.00 0.00 0.00 23.12 19.30 2bua s ALA 360 CO 0.43 -1.22 0.78 -1.21 0.00 0.00 0.00 175.76 174.54 2bua s GLU 361 N -3.86 4.34 0.39 0.00 0.41 -1.26 -4.89 118.70 113.83 2bua s GLU 361 Ca 0.69 0.99 -0.20 0.00 -0.41 0.00 0.00 54.97 56.04 2bua s GLU 361 Cb -0.23 -2.86 -0.10 0.00 -1.78 0.00 0.00 34.13 29.16 2bua s GLU 361 CO 0.38 0.36 0.90 -1.25 -0.49 0.00 0.00 175.26 175.17 2bua s PRO 362 N -2.00 4.23 -0.30 0.39 0.04 -1.26 -4.61 135.00 131.49 2bua s PRO 362 Ca 0.45 1.06 0.03 0.00 0.04 0.00 0.00 61.00 62.58 2bua s PRO 362 Cb -0.17 -2.32 0.08 0.00 0.04 0.00 0.00 34.50 32.13 2bua s PRO 362 CO 0.22 0.06 -0.01 -1.01 0.04 0.00 0.00 177.00 176.29 2bua s HIS 363 N -2.05 3.34 0.51 0.56 3.76 -0.23 -4.96 115.29 116.22 2bua s HIS 363 Ca 0.58 -2.58 -0.11 0.00 -0.15 0.00 0.00 55.06 52.81 2bua s HIS 363 Cb -0.11 -2.38 -0.06 0.00 1.11 0.00 0.00 32.58 31.15 2bua s HIS 363 CO 0.15 -0.90 0.90 -0.06 -0.85 0.00 0.00 174.74 173.98 2bua s PHE 364 N 1.06 3.53 0.65 1.40 0.40 -1.26 -0.91 117.98 122.84 2bua s PHE 364 Ca 0.02 1.19 -0.10 0.00 -0.60 0.00 0.00 56.93 57.44 2bua s PHE 364 Cb -0.19 -2.59 0.00 0.00 0.51 0.00 0.00 43.02 40.75 2bua s PHE 364 CO -0.08 -0.37 1.02 0.95 0.70 0.00 0.00 175.22 177.45 2bua s THR 365 N -2.73 3.83 0.24 0.64 -4.23 -0.72 -4.93 115.64 107.74 2bua s THR 365 Ca 0.54 0.42 -0.04 0.00 -1.18 0.00 0.00 61.69 61.43 2bua s THR 365 Cb -0.10 -3.57 0.21 0.00 1.34 0.00 0.00 72.50 70.38 2bua s THR 365 CO 0.40 -0.70 1.76 0.28 -0.54 0.00 0.00 174.62 175.82 2bua h SER 366 N -0.43 0.44 0.52 3.99 0.02 -1.92 -0.48 113.55 115.69 2bua h SER 366 Ca -0.45 0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.51 2bua h SER 366 Cb 1.24 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 2bua h SER 366 CO 0.63 0.21 -0.33 -2.24 -1.14 0.00 0.00 176.83 173.95 2bua h ASP 367 N 0.57 0.00 0.00 3.07 2.03 -1.93 -3.47 116.42 116.69 2bua h ASP 367 Ca 0.40 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.70 2bua h ASP 367 Cb 0.52 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.02 2bua h ASP 367 CO -0.33 0.33 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 2bua n GLY 368 N -0.27 0.50 0.01 7.15 0.00 -0.19 -4.93 105.19 107.46 2bua n GLY 368 Ca -0.01 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.72 2bua n GLY 368 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bua n ASN 369 N 0.75 0.41 -3.74 1.61 5.03 -1.26 -4.81 115.26 113.26 2bua n ASN 369 Ca 0.00 -0.05 -0.10 0.00 0.87 0.00 0.00 54.58 55.30 2bua n ASN 369 Cb 0.00 0.07 -0.04 0.00 -1.02 0.00 0.00 39.78 38.79 2bua n ASN 369 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2bua s SER 370 N -3.10 -0.22 0.11 6.41 1.04 -1.26 -1.34 113.70 115.34 2bua s SER 370 Ca 0.11 -0.48 -0.11 0.00 0.48 0.00 0.00 55.95 55.95 2bua s SER 370 Cb 0.17 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.84 2bua s SER 370 CO 0.66 -0.98 0.26 0.72 0.98 0.00 0.00 173.24 174.89 2bua s PHE 371 N -3.87 0.10 -0.06 5.02 -0.12 -0.31 -1.75 117.98 116.99 2bua s PHE 371 Ca 0.09 -0.50 0.05 0.00 -0.05 0.00 0.00 56.93 56.52 2bua s PHE 371 Cb 0.00 0.03 -0.02 0.00 -0.63 0.00 0.00 43.02 42.40 2bua s PHE 371 CO -0.05 -0.62 -0.20 0.71 -0.05 0.00 0.00 175.22 175.01 2bua s TYR 372 N -3.87 2.56 -0.16 3.49 1.51 -0.09 0.22 117.35 121.01 2bua s TYR 372 Ca 0.07 -0.50 -0.15 0.00 -1.01 0.00 0.00 57.07 55.48 2bua s TYR 372 Cb 0.04 -1.63 0.04 0.00 -0.11 0.00 0.00 41.96 40.30 2bua s TYR 372 CO -0.09 -0.07 0.43 0.21 -1.11 0.00 0.00 175.55 174.92 2bua s LYS 373 N -0.32 0.49 0.02 -0.62 2.20 -0.61 -1.06 119.74 119.84 2bua s LYS 373 Ca 0.02 0.61 -0.30 0.00 -0.36 0.00 0.00 55.97 55.94 2bua s LYS 373 Cb -0.13 0.23 -0.04 0.00 -1.51 0.00 0.00 37.83 36.38 2bua s LYS 373 CO 0.02 -0.07 1.14 0.42 -0.36 0.00 0.00 175.35 176.50 2bua s ILE 374 N 0.31 4.31 0.20 5.43 1.01 -1.26 -1.18 121.20 130.02 2bua s ILE 374 Ca -0.01 1.65 -0.08 0.00 0.00 0.00 0.00 60.65 62.22 2bua s ILE 374 Cb -0.03 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 2bua s ILE 374 CO -0.00 0.10 0.30 0.27 0.00 0.00 0.00 174.94 175.61 2bua s ILE 375 N 1.28 0.03 0.05 2.92 -4.36 -0.45 -4.50 121.20 116.17 2bua s ILE 375 Ca 0.56 -1.57 -0.30 0.00 -0.26 0.00 0.00 60.65 59.08 2bua s ILE 375 Cb -0.26 -2.14 -0.04 0.00 1.25 0.00 0.00 42.46 41.26 2bua s ILE 375 CO 0.27 -0.13 1.01 -0.44 0.24 0.00 0.00 174.94 175.90 2bua s SER 376 N -3.04 7.36 0.65 4.36 0.01 -1.26 -1.29 113.70 120.50 2bua s SER 376 Ca 0.25 1.78 -0.01 0.00 1.31 0.00 0.00 55.95 59.27 2bua s SER 376 Cb 0.03 -2.58 0.04 0.00 0.21 0.00 0.00 66.02 63.72 2bua s SER 376 CO 0.06 -0.23 0.27 -0.46 0.41 0.00 0.00 173.24 173.30 2bua n ASN 377 N 3.46 0.22 -0.29 2.44 0.23 0.36 -4.89 115.26 116.78 2bua n ASN 377 Ca 0.05 -1.22 0.11 0.00 -0.53 0.00 0.00 54.58 52.99 2bua n ASN 377 Cb 0.50 -0.19 0.35 0.00 -2.08 0.00 0.00 39.78 38.35 2bua n ASN 377 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2bua h GLU 378 N 0.00 0.74 -0.02 -3.83 3.07 -1.97 -1.74 114.58 110.83 2bua h GLU 378 Ca -0.09 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 2bua h GLU 378 Cb 0.29 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 2bua h GLU 378 CO 0.08 0.49 0.00 0.39 -1.40 0.00 0.00 179.01 178.57 2bua n GLU 379 N -4.58 1.40 -0.54 2.33 1.02 -1.26 -4.92 120.64 114.09 2bua n GLU 379 Ca 0.18 -0.58 0.00 0.00 -0.02 0.00 0.00 57.16 56.74 2bua n GLU 379 Cb 0.45 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 2bua n GLU 379 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bua n GLY 380 N 1.09 0.74 3.89 0.62 0.00 -0.65 -4.82 105.19 106.06 2bua n GLY 380 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 2bua n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bua s TYR 381 N -2.32 3.57 -0.27 1.61 1.51 -1.26 0.65 117.35 120.84 2bua s TYR 381 Ca 0.00 0.43 -0.23 0.00 -1.01 0.00 0.00 57.07 56.26 2bua s TYR 381 Cb 0.00 -1.88 -0.01 0.00 -0.11 0.00 0.00 41.96 39.97 2bua s TYR 381 CO 0.00 0.68 0.76 0.15 -1.11 0.00 0.00 175.55 176.03 2bua s LYS 382 N -1.59 4.08 0.27 -0.62 1.02 -1.26 -0.49 119.74 121.15 2bua s LYS 382 Ca 0.23 0.70 0.02 0.00 0.02 0.00 0.00 55.97 56.93 2bua s LYS 382 Cb -0.12 -3.68 -0.05 0.00 -0.52 0.00 0.00 37.83 33.46 2bua s LYS 382 CO 0.13 -0.55 0.11 -1.01 -0.92 0.00 0.00 175.35 173.11 2bua s HIS 383 N 2.79 1.57 -0.16 3.18 3.76 -0.41 -1.37 115.29 124.65 2bua s HIS 383 Ca 0.31 -1.21 -0.26 0.00 -0.15 0.00 0.00 55.06 53.75 2bua s HIS 383 Cb -0.15 -0.91 -0.01 0.00 1.11 0.00 0.00 32.58 32.62 2bua s HIS 383 CO 0.10 -0.36 0.88 0.42 -0.85 0.00 0.00 174.74 174.93 2bua s ILE 384 N -3.70 4.85 -0.06 0.60 1.01 -1.26 -1.34 121.20 121.29 2bua s ILE 384 Ca 0.37 1.75 0.02 0.00 0.00 0.00 0.00 60.65 62.79 2bua s ILE 384 Cb 0.07 -4.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 2bua s ILE 384 CO 0.14 0.01 -0.10 0.00 0.00 0.00 0.00 174.94 175.00 2bua s HIS 386 N -0.72 3.24 0.10 0.00 2.46 0.53 -1.58 115.29 119.33 2bua s HIS 386 Ca 0.11 0.42 0.05 0.00 0.47 0.00 0.00 55.06 56.11 2bua s HIS 386 Cb -0.11 -2.68 -0.04 0.00 -0.13 0.00 0.00 32.58 29.62 2bua s HIS 386 CO 0.01 -0.30 -0.01 -0.06 -2.47 0.00 0.00 174.74 171.91 2bua s PHE 387 N 2.19 2.94 -0.20 3.88 0.40 0.13 -1.65 117.98 125.68 2bua s PHE 387 Ca 0.17 -0.06 -0.08 0.00 -0.60 0.00 0.00 56.93 56.36 2bua s PHE 387 Cb -0.16 -1.50 -0.04 0.00 0.51 0.00 0.00 43.02 41.83 2bua s PHE 387 CO 0.10 0.48 0.08 -1.14 0.70 0.00 0.00 175.22 175.44 2bua s GLN 388 N -2.40 3.96 0.35 0.44 2.00 -1.26 -1.16 119.66 121.59 2bua s GLN 388 Ca 0.26 -0.34 0.14 0.00 -2.00 0.00 0.00 55.36 53.41 2bua s GLN 388 Cb -0.11 -3.29 1.00 0.00 0.80 0.00 0.00 33.01 31.41 2bua s GLN 388 CO 0.18 0.19 1.73 1.15 -0.50 0.00 0.00 175.29 178.03 2bua h THR 389 N 4.97 0.48 -0.38 -0.34 2.02 -1.52 -2.14 112.91 115.99 2bua h THR 389 Ca -0.37 -0.16 -0.07 0.00 0.77 0.00 0.00 66.41 66.58 2bua h THR 389 Cb 1.17 -0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 2bua h THR 389 CO 0.68 0.09 0.04 -0.90 0.37 0.00 0.00 175.52 175.79 2bua n ASP 390 N -4.83 3.96 -4.14 4.18 5.68 -1.26 -4.19 116.55 115.95 2bua n ASP 390 Ca 0.28 -3.18 -0.19 0.00 -0.50 0.00 0.00 54.79 51.20 2bua n ASP 390 Cb 0.85 -0.61 -0.13 0.00 -1.14 0.00 0.00 41.12 40.09 2bua n ASP 390 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2bua s LYS 391 N -2.93 0.87 0.24 0.11 -0.14 -0.81 -4.75 119.74 112.34 2bua s LYS 391 Ca 0.46 -0.77 0.24 0.00 -1.36 0.00 0.00 55.97 54.54 2bua s LYS 391 Cb 0.38 -0.87 0.28 0.00 -1.68 0.00 0.00 37.83 35.94 2bua s LYS 391 CO 0.09 0.21 1.35 0.66 -0.76 0.00 0.00 175.35 176.90 2bua h SER 392 N 4.84 0.00 -3.38 2.83 4.64 -1.85 -3.39 113.55 117.25 2bua h SER 392 Ca -0.38 -0.06 -0.55 0.00 -0.47 0.00 0.00 61.79 60.33 2bua h SER 392 Cb 1.18 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.23 2bua h SER 392 CO 0.43 0.03 0.08 0.54 -0.87 0.00 0.00 176.83 177.04 2bua s ASN 393 N -5.13 7.19 0.35 4.97 2.20 -1.26 -5.01 114.94 118.25 2bua s ASN 393 Ca 0.05 1.41 0.08 0.00 -0.94 0.00 0.00 52.86 53.45 2bua s ASN 393 Cb 0.10 -2.43 -0.07 0.00 -2.00 0.00 0.00 41.25 36.85 2bua s ASN 393 CO 0.72 0.18 -0.04 0.00 -2.94 0.00 0.00 177.10 175.01 2bua s THR 395 N -2.75 1.52 0.24 0.00 2.01 -0.66 -4.89 115.64 111.11 2bua s THR 395 Ca 0.33 -0.62 -0.30 0.00 0.31 0.00 0.00 61.69 61.42 2bua s THR 395 Cb 0.06 -1.42 -0.09 0.00 0.01 0.00 0.00 72.50 71.05 2bua s THR 395 CO 0.16 0.45 1.31 -0.36 -0.69 0.00 0.00 174.62 175.49 2bua s PHE 396 N 1.35 3.21 -1.17 4.92 0.08 -1.26 -0.35 117.98 124.76 2bua s PHE 396 Ca 0.02 1.26 0.10 0.00 0.12 0.00 0.00 56.93 58.43 2bua s PHE 396 Cb -0.13 -3.63 0.06 0.00 -0.57 0.00 0.00 43.02 38.75 2bua s PHE 396 CO -0.08 -1.89 0.77 0.44 -0.10 0.00 0.00 175.22 174.35 2bua n ILE 397 N 2.15 0.00 -3.91 0.64 -5.35 -0.38 -4.91 119.36 107.60 2bua n ILE 397 Ca 0.05 -0.47 -0.10 0.00 -0.27 0.00 0.00 62.75 61.95 2bua n ILE 397 Cb 0.42 1.19 -0.10 0.00 -1.74 0.00 0.00 39.64 39.41 2bua n ILE 397 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2bua s THR 398 N -0.99 0.10 0.21 7.28 -4.23 -1.25 -4.91 115.64 111.84 2bua s THR 398 Ca 0.11 -0.81 -0.19 0.00 -1.18 0.00 0.00 61.69 59.61 2bua s THR 398 Cb 0.08 -0.47 0.03 0.00 1.34 0.00 0.00 72.50 73.49 2bua s THR 398 CO 0.16 -0.45 0.59 -1.59 -0.54 0.00 0.00 174.62 172.80 2bua s LYS 399 N -1.60 1.48 0.00 3.99 0.00 -1.26 -4.56 119.74 117.79 2bua s LYS 399 Ca -0.14 -0.83 0.00 0.00 0.00 0.00 0.00 55.97 55.00 2bua s LYS 399 Cb -0.07 0.56 0.00 0.00 0.00 0.00 0.00 37.83 38.32 2bua s LYS 399 CO 0.00 -0.65 0.00 0.41 0.00 0.00 0.00 175.35 175.11 2bua n GLY 400 N -0.38 2.72 2.48 0.59 0.00 -1.26 -4.91 105.19 104.44 2bua n GLY 400 Ca -0.10 -1.85 -0.38 0.00 0.00 0.00 0.00 46.02 43.70 2bua n GLY 400 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bua n ALA 401 N -1.67 6.75 -3.81 4.61 0.00 -1.26 -4.79 120.51 120.34 2bua n ALA 401 Ca 0.00 -3.96 -0.08 0.00 0.00 0.00 0.00 53.44 49.40 2bua n ALA 401 Cb 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 16.78 2bua n ALA 401 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 2bua s TRP 402 N -1.31 -0.01 0.09 0.00 1.48 -1.26 -5.05 118.94 112.88 2bua s TRP 402 Ca 0.54 -0.56 0.04 0.00 -1.06 0.00 0.00 56.10 55.07 2bua s TRP 402 Cb 0.21 0.76 -0.03 0.00 -1.16 0.00 0.00 33.47 33.25 2bua s TRP 402 CO -0.11 -1.41 -0.11 -1.21 -4.06 0.00 0.00 176.95 170.05 2bua s GLU 403 N -3.08 0.83 -0.16 3.25 2.02 -1.26 -4.50 118.70 115.79 2bua s GLU 403 Ca 0.14 -1.11 -0.21 0.00 0.02 0.00 0.00 54.97 53.80 2bua s GLU 403 Cb -0.05 -0.57 -0.03 0.00 0.10 0.00 0.00 34.13 33.57 2bua s GLU 403 CO 0.09 0.10 0.63 0.08 0.02 0.00 0.00 175.26 176.18 2bua s VAL 404 N -2.22 5.04 -0.02 2.63 1.01 -0.47 -2.47 120.40 123.90 2bua s VAL 404 Ca 0.04 1.22 -0.21 0.00 0.00 0.00 0.00 61.98 63.03 2bua s VAL 404 Cb -0.04 -3.95 -0.29 0.00 0.00 0.00 0.00 36.38 32.09 2bua s VAL 404 CO 0.00 0.16 0.97 0.40 0.00 0.00 0.00 175.10 176.64 2bua h ILE 405 N 5.05 1.46 -1.42 2.22 1.08 0.64 -3.46 117.51 123.09 2bua h ILE 405 Ca -0.34 -2.41 0.22 0.00 -0.39 0.00 0.00 64.86 61.94 2bua h ILE 405 Cb 1.16 2.99 -0.21 0.00 -3.07 0.00 0.00 36.82 37.68 2bua h ILE 405 CO 0.77 0.69 0.79 -0.83 -0.69 0.00 0.00 178.15 178.88 2bua s GLY 406 N -4.34 -0.21 -0.22 5.37 0.00 -1.13 -4.99 107.32 101.79 2bua s GLY 406 Ca -0.13 1.92 -0.21 0.00 0.00 0.00 0.00 44.72 46.30 2bua s GLY 406 CO 0.84 0.73 0.66 -0.42 0.00 0.00 0.00 173.10 174.92 2bua s ILE 407 N -1.93 4.98 -0.13 0.90 1.01 -1.26 -1.04 121.20 123.73 2bua s ILE 407 Ca 0.07 1.23 -0.04 0.00 0.00 0.00 0.00 60.65 61.91 2bua s ILE 407 Cb -0.01 -3.97 -0.25 0.00 0.01 0.00 0.00 42.46 38.24 2bua s ILE 407 CO -0.05 0.05 0.32 -0.62 0.00 0.00 0.00 174.94 174.65 2bua n GLU 408 N 5.43 0.74 -3.69 2.79 -0.58 0.18 -4.96 120.64 120.54 2bua n GLU 408 Ca -0.00 0.25 -0.10 0.00 -0.42 0.00 0.00 57.16 56.89 2bua n GLU 408 Cb 0.49 -1.69 -0.05 0.00 -0.57 0.00 0.00 31.44 29.62 2bua n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2bua s ALA 409 N -2.56 -0.82 -0.17 0.62 0.00 -1.12 -4.86 121.76 112.85 2bua s ALA 409 Ca -0.22 -0.18 -0.06 0.00 0.00 0.00 0.00 51.96 51.51 2bua s ALA 409 Cb 0.07 0.72 0.08 0.00 0.00 0.00 0.00 23.12 23.99 2bua s ALA 409 CO 0.76 -0.66 0.35 -1.17 0.00 0.00 0.00 175.76 175.03 2bua s LEU 410 N -2.83 -0.49 0.55 0.00 2.96 -1.26 -1.54 118.68 116.06 2bua s LEU 410 Ca 0.05 0.74 0.02 0.00 -0.22 0.00 0.00 54.13 54.72 2bua s LEU 410 Cb 0.02 1.04 0.02 0.00 0.50 0.00 0.00 46.19 47.77 2bua s LEU 410 CO -0.09 -0.24 0.19 0.42 -1.32 0.00 0.00 176.35 175.31 2bua s THR 411 N 2.52 1.24 -0.67 3.68 -4.23 -0.36 -4.96 115.64 112.86 2bua s THR 411 Ca 0.01 -1.77 0.23 0.00 -1.18 0.00 0.00 61.69 58.99 2bua s THR 411 Cb -0.12 -2.00 0.24 0.00 1.34 0.00 0.00 72.50 71.95 2bua s THR 411 CO -0.11 0.00 1.71 -1.54 -0.54 0.00 0.00 174.62 174.14 2bua n SER 412 N -1.55 0.55 -0.07 3.99 3.41 -1.26 -3.80 113.62 114.90 2bua n SER 412 Ca -0.13 0.60 -0.08 0.00 -0.26 0.00 0.00 58.87 59.01 2bua n SER 412 Cb 0.66 -0.73 -0.08 0.00 -0.26 0.00 0.00 64.21 63.79 2bua n SER 412 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2bua n ASP 413 N -2.07 2.46 -4.31 4.04 8.00 -1.26 -4.87 116.55 118.53 2bua n ASP 413 Ca 0.04 -0.04 -0.16 0.00 0.71 0.00 0.00 54.79 55.33 2bua n ASP 413 Cb 0.28 0.29 -0.10 0.00 -0.02 0.00 0.00 41.12 41.56 2bua n ASP 413 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2bua s TYR 414 N -2.29 1.49 -0.08 1.24 1.51 -1.25 -1.20 117.35 116.77 2bua s TYR 414 Ca -0.13 -0.95 -0.00 0.00 -1.01 0.00 0.00 57.07 54.98 2bua s TYR 414 Cb 0.04 -0.86 0.02 0.00 -0.11 0.00 0.00 41.96 41.06 2bua s TYR 414 CO 0.42 -0.08 -0.05 -1.17 -1.11 0.00 0.00 175.55 173.56 2bua s LEU 415 N -3.28 1.07 -0.11 -1.29 0.20 -0.61 -1.22 118.68 113.44 2bua s LEU 415 Ca 0.28 -0.18 -0.05 0.00 0.69 0.00 0.00 54.13 54.86 2bua s LEU 415 Cb 0.06 -0.60 -0.04 0.00 -0.43 0.00 0.00 46.19 45.18 2bua s LEU 415 CO 0.08 -0.11 0.09 -0.31 -0.29 0.00 0.00 176.35 175.81 2bua s TYR 416 N 1.48 3.43 0.28 5.38 1.51 -0.59 -0.88 117.35 127.96 2bua s TYR 416 Ca -0.01 0.40 -0.10 0.00 -1.01 0.00 0.00 57.07 56.35 2bua s TYR 416 Cb -0.13 -1.89 -0.00 0.00 -0.11 0.00 0.00 41.96 39.82 2bua s TYR 416 CO -0.04 0.62 0.47 1.52 -1.11 0.00 0.00 175.55 177.02 2bua s TYR 417 N -0.92 0.57 -0.05 2.71 -0.85 -0.22 -0.65 117.35 117.94 2bua s TYR 417 Ca 0.14 -0.91 0.05 0.00 -0.52 0.00 0.00 57.07 55.83 2bua s TYR 417 Cb -0.12 0.11 -0.01 0.00 0.38 0.00 0.00 41.96 42.33 2bua s TYR 417 CO 0.03 -1.04 -0.22 0.42 -1.52 0.00 0.00 175.55 173.22 2bua s ILE 418 N -3.69 1.85 0.21 -3.49 1.01 -0.21 -0.34 121.20 116.54 2bua s ILE 418 Ca 0.25 -0.95 -0.05 0.00 0.00 0.00 0.00 60.65 59.90 2bua s ILE 418 Cb -0.00 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.87 2bua s ILE 418 CO 0.12 0.52 0.25 -0.94 0.00 0.00 0.00 174.94 174.89 2bua s SER 419 N -0.07 0.07 -0.35 3.58 1.04 -0.98 0.12 113.70 117.11 2bua s SER 419 Ca -0.04 -1.20 0.07 0.00 0.48 0.00 0.00 55.95 55.25 2bua s SER 419 Cb -0.13 0.45 0.54 0.00 0.10 0.00 0.00 66.02 66.98 2bua s SER 419 CO 0.03 -0.94 1.58 -0.46 0.98 0.00 0.00 173.24 174.44 2bua n ASN 420 N -0.30 3.14 -0.16 7.02 0.23 -1.03 -1.99 115.26 122.16 2bua n ASN 420 Ca 0.00 -3.76 -0.11 0.00 -0.53 0.00 0.00 54.58 50.19 2bua n ASN 420 Cb 0.64 -0.69 -0.00 0.00 -2.08 0.00 0.00 39.78 37.65 2bua n ASN 420 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2bua h GLU 421 N 1.11 0.91 -6.36 -3.83 4.81 -1.83 -3.29 114.58 106.10 2bua h GLU 421 Ca 0.35 -0.34 -0.65 0.00 -0.13 0.00 0.00 59.36 58.59 2bua h GLU 421 Cb 1.88 -0.05 0.06 0.00 0.63 0.00 0.00 28.75 31.27 2bua h GLU 421 CO 0.64 0.99 0.52 1.58 -0.73 0.00 0.00 179.01 182.01 2bua n HIS 422 N -4.24 1.71 -0.73 0.92 -0.00 -1.26 -0.92 115.22 110.69 2bua n HIS 422 Ca 0.00 0.54 -0.00 0.00 0.46 0.00 0.00 57.72 58.72 2bua n HIS 422 Cb 0.38 -2.38 -0.00 0.00 -0.12 0.00 0.00 29.99 27.87 2bua n HIS 422 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2bua n LYS 423 N 2.58 -1.99 -2.08 1.57 4.01 -1.26 -1.74 118.16 119.25 2bua n LYS 423 Ca 0.17 0.37 -0.18 0.00 -0.51 0.00 0.00 58.31 58.16 2bua n LYS 423 Cb 0.23 -4.31 -0.03 0.00 -0.51 0.00 0.00 35.03 30.41 2bua n LYS 423 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2bua n GLY 424 N 0.70 0.29 3.44 0.72 0.00 -0.10 -4.96 105.19 105.29 2bua n GLY 424 Ca -0.00 -0.15 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 2bua n GLY 424 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bua s MET 425 N -4.46 3.13 0.64 1.61 -1.94 -0.71 -4.93 119.30 112.64 2bua s MET 425 Ca 0.00 -0.91 0.39 0.00 -1.71 0.00 0.00 55.69 53.46 2bua s MET 425 Cb 0.00 -4.14 2.20 0.00 2.01 0.00 0.00 34.83 34.91 2bua s MET 425 CO 0.00 -1.35 2.33 -1.00 -0.01 0.00 0.00 175.02 174.99 2bua h PRO 426 N 9.10 0.00 -0.68 2.03 0.13 -1.88 -1.41 132.00 139.29 2bua h PRO 426 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2bua h PRO 426 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2bua h PRO 426 CO 1.02 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.20 2bua n GLY 427 N -1.16 2.57 3.50 1.56 0.00 -1.26 -4.86 105.19 105.54 2bua n GLY 427 Ca -0.03 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 45.04 2bua n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bua s GLY 428 N -0.60 1.73 -0.01 -0.02 0.00 -0.53 -2.58 107.32 105.31 2bua s GLY 428 Ca 0.41 -1.60 0.02 0.00 0.00 0.00 0.00 44.72 43.55 2bua s GLY 428 CO 0.13 -1.63 -0.08 0.50 0.00 0.00 0.00 173.10 172.01 2bua s ARG 429 N -2.88 0.69 0.05 2.90 1.81 0.03 -3.99 118.95 117.55 2bua s ARG 429 Ca 0.24 -0.28 -0.10 0.00 -1.72 0.00 0.00 55.73 53.87 2bua s ARG 429 Cb -0.08 -0.67 0.01 0.00 -0.45 0.00 0.00 34.95 33.76 2bua s ARG 429 CO 0.13 0.15 0.21 -0.80 -0.68 0.00 0.00 175.30 174.31 2bua s ASN 430 N -0.09 0.02 -0.19 0.23 0.01 -0.84 -1.79 114.94 112.29 2bua s ASN 430 Ca 0.02 -0.37 -0.17 0.00 -0.71 0.00 0.00 52.86 51.62 2bua s ASN 430 Cb -0.04 0.30 -0.04 0.00 0.41 0.00 0.00 41.25 41.88 2bua s ASN 430 CO -0.00 -0.59 0.43 -0.22 -1.51 0.00 0.00 177.10 175.21 2bua s LEU 431 N -2.17 4.17 0.19 0.60 2.96 -1.26 -2.32 118.68 120.84 2bua s LEU 431 Ca -0.04 0.59 0.10 0.00 -0.22 0.00 0.00 54.13 54.56 2bua s LEU 431 Cb -0.00 -2.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 2bua s LEU 431 CO -0.05 -0.08 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.40 2bua s TYR 432 N 1.26 1.99 -0.05 5.38 1.51 0.54 -1.14 117.35 126.84 2bua s TYR 432 Ca 0.21 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 55.86 2bua s TYR 432 Cb -0.15 -0.97 0.01 0.00 -0.11 0.00 0.00 41.96 40.75 2bua s TYR 432 CO 0.08 0.42 -0.09 0.50 -1.11 0.00 0.00 175.55 175.36 2bua s ARG 433 N -2.92 1.23 -0.07 -0.62 3.52 -0.04 -1.06 118.95 118.99 2bua s ARG 433 Ca 0.19 -0.28 0.04 0.00 -0.13 0.00 0.00 55.73 55.55 2bua s ARG 433 Cb -0.06 -1.09 0.00 0.00 -1.56 0.00 0.00 34.95 32.24 2bua s ARG 433 CO 0.08 0.01 -0.19 -1.50 -0.81 0.00 0.00 175.30 172.89 2bua s ILE 434 N 0.64 1.63 0.01 4.11 2.07 -0.06 -0.37 121.20 129.23 2bua s ILE 434 Ca -0.11 -0.79 -0.30 0.00 -1.41 0.00 0.00 60.65 58.03 2bua s ILE 434 Cb -0.14 -1.42 -0.06 0.00 0.13 0.00 0.00 42.46 40.97 2bua s ILE 434 CO 0.02 0.46 1.40 -1.10 -1.91 0.00 0.00 174.94 173.81 2bua s GLN 435 N 0.29 4.28 0.49 3.50 -0.21 -0.56 -1.57 119.66 125.89 2bua s GLN 435 Ca -0.12 1.97 0.27 0.00 0.02 0.00 0.00 55.36 57.50 2bua s GLN 435 Cb -0.15 -3.56 1.24 0.00 1.00 0.00 0.00 33.01 31.54 2bua s GLN 435 CO 0.05 -0.57 1.96 -0.07 -2.12 0.00 0.00 175.29 174.55 2bua h LEU 436 N 8.26 0.00 -2.01 2.90 4.07 -1.49 -2.82 115.31 124.22 2bua h LEU 436 Ca -0.38 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.58 2bua h LEU 436 Cb 1.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.92 2bua h LEU 436 CO 0.90 0.15 0.00 -0.46 -1.08 0.00 0.00 178.44 177.95 2bua n ASN 437 N -3.45 2.98 -2.89 -0.43 0.23 -1.26 -4.66 115.26 105.77 2bua n ASN 437 Ca -0.01 -1.94 -0.00 0.00 -0.53 0.00 0.00 54.58 52.10 2bua n ASN 437 Cb 0.33 -0.27 0.01 0.00 -2.08 0.00 0.00 39.78 37.76 2bua n ASN 437 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2bua s ASP 438 N -1.34 -0.91 0.00 0.53 2.15 -1.07 -5.01 116.67 111.02 2bua s ASP 438 Ca 0.38 -0.68 0.00 0.00 0.43 0.00 0.00 52.55 52.67 2bua s ASP 438 Cb 0.21 1.18 0.00 0.00 -0.30 0.00 0.00 42.92 44.01 2bua s ASP 438 CO 0.29 -0.08 0.55 -1.22 -0.17 0.00 0.00 175.17 174.54 2bua n TYR 439 N 3.59 0.00 0.09 -5.34 4.01 -1.21 -1.00 117.16 117.30 2bua n TYR 439 Ca 0.11 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.65 2bua n TYR 439 Cb 0.60 -0.10 -0.12 0.00 -0.31 0.00 0.00 39.34 39.41 2bua n TYR 439 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 2bua h THR 440 N 0.00 1.35 -2.54 -0.72 2.02 -1.92 -3.42 112.91 107.69 2bua h THR 440 Ca 0.00 -2.60 -0.61 0.00 0.77 0.00 0.00 66.41 63.96 2bua h THR 440 Cb 0.04 2.72 -0.13 0.00 -1.74 0.00 0.00 68.15 69.03 2bua h THR 440 CO 0.00 0.78 0.69 -0.54 0.37 0.00 0.00 175.52 176.82 2bua s LYS 441 N -2.94 3.16 -0.08 6.66 1.02 -0.17 -4.98 119.74 122.41 2bua s LYS 441 Ca -0.07 -0.76 0.01 0.00 0.02 0.00 0.00 55.97 55.16 2bua s LYS 441 Cb 0.06 -4.28 0.02 0.00 -0.52 0.00 0.00 37.83 33.11 2bua s LYS 441 CO 0.91 -1.90 -0.08 0.54 -0.92 0.00 0.00 175.35 173.90 2bua s VAL 442 N 4.38 0.93 -0.03 3.17 0.11 -1.26 -1.50 120.40 126.20 2bua s VAL 442 Ca 0.26 -0.31 0.03 0.00 -2.93 0.00 0.00 61.98 59.04 2bua s VAL 442 Cb -0.14 -0.92 -0.03 0.00 -1.53 0.00 0.00 36.38 33.77 2bua s VAL 442 CO 0.10 0.33 -0.12 -0.89 -3.33 0.00 0.00 175.10 171.19 2bua s THR 443 N 1.15 3.28 -0.42 5.04 2.01 0.50 -4.94 115.64 122.26 2bua s THR 443 Ca -0.06 -0.73 -0.18 0.00 0.31 0.00 0.00 61.69 61.03 2bua s THR 443 Cb -0.14 -2.33 0.02 0.00 0.01 0.00 0.00 72.50 70.05 2bua s THR 443 CO -0.02 0.53 0.45 0.00 -0.69 0.00 0.00 174.62 174.90 2bua h LEU 445 N 9.11 0.00 0.00 0.00 3.38 -1.49 -3.38 115.31 122.93 2bua h LEU 445 Ca -0.26 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 2bua h LEU 445 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2bua h LEU 445 CO 0.80 0.00 -1.30 -1.54 0.09 0.00 0.00 178.44 176.49 2bua n SER 446 N -2.78 3.71 -0.34 -0.43 3.41 -1.22 -4.80 113.62 111.17 2bua n SER 446 Ca 0.04 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.64 2bua n SER 446 Cb 0.45 1.00 0.04 0.00 -0.26 0.00 0.00 64.21 65.44 2bua n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bua n GLU 448 N -5.30 3.30 -0.09 0.00 4.71 -1.26 -4.14 120.64 117.86 2bua n GLU 448 Ca 0.09 -2.75 -0.10 0.00 -0.01 0.00 0.00 57.16 54.39 2bua n GLU 448 Cb 0.35 -1.73 -0.03 0.00 -1.01 0.00 0.00 31.44 29.02 2bua n GLU 448 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 2bua h LEU 449 N 3.92 0.41 -5.35 -4.62 3.38 -1.78 -3.38 115.31 107.89 2bua h LEU 449 Ca 0.00 -0.21 -0.33 0.00 0.09 0.00 0.00 57.88 57.42 2bua h LEU 449 Cb 1.24 -0.11 -0.23 0.00 0.09 0.00 0.00 40.66 41.65 2bua h LEU 449 CO 0.13 0.51 -0.71 0.59 0.09 0.00 0.00 178.44 179.06 2bua n ASN 450 N -4.71 -1.63 -0.51 -0.43 4.13 -1.26 -5.03 115.26 105.82 2bua n ASN 450 Ca -0.03 -3.22 0.43 0.00 1.68 0.00 0.00 54.58 53.44 2bua n ASN 450 Cb 0.17 1.00 0.75 0.00 -1.54 0.00 0.00 39.78 40.15 2bua n ASN 450 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2bua h PRO 451 N 3.66 0.04 0.15 3.52 0.13 -1.76 0.70 132.00 138.44 2bua h PRO 451 Ca -0.06 -0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.73 2bua h PRO 451 Cb 1.00 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 2bua h PRO 451 CO 0.34 0.03 -1.75 0.93 -0.23 0.00 0.00 178.00 177.31 2bua h GLU 452 N 0.04 0.32 0.00 0.86 4.39 -1.95 -3.39 114.58 114.85 2bua h GLU 452 Ca 0.78 -0.55 -0.21 0.00 0.34 0.00 0.00 59.36 59.72 2bua h GLU 452 Cb 2.93 0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 31.75 2bua h GLU 452 CO -0.11 1.26 -1.38 -0.09 -1.16 0.00 0.00 179.01 177.53 2bua h ARG 453 N -0.00 0.00 -4.23 2.33 2.43 -1.64 -3.41 114.38 109.85 2bua h ARG 453 Ca -0.36 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.23 2bua h ARG 453 Cb 2.00 0.00 -0.38 0.00 -0.42 0.00 0.00 29.97 31.17 2bua h ARG 453 CO 0.12 0.45 -0.79 0.00 -1.51 0.00 0.00 179.97 178.24 2bua n GLN 455 N 4.80 -0.27 -3.71 0.00 6.02 0.33 -4.35 117.38 120.20 2bua n GLN 455 Ca -0.12 -0.19 -0.29 0.00 -0.01 0.00 0.00 57.00 56.39 2bua n GLN 455 Cb 0.46 -0.66 -0.16 0.00 1.02 0.00 0.00 30.24 30.91 2bua n GLN 455 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2bua s TYR 456 N -0.01 1.18 0.27 1.08 6.14 -1.15 -0.79 117.35 124.07 2bua s TYR 456 Ca 0.00 -1.19 0.10 0.00 0.64 0.00 0.00 57.07 56.62 2bua s TYR 456 Cb 0.00 -1.26 -0.05 0.00 0.42 0.00 0.00 41.96 41.06 2bua s TYR 456 CO 0.00 -0.74 -0.17 0.71 0.64 0.00 0.00 175.55 175.99 2bua s TYR 457 N 1.80 2.13 0.13 4.97 1.51 -0.74 -0.85 117.35 126.29 2bua s TYR 457 Ca 0.04 -0.43 -0.00 0.00 -1.01 0.00 0.00 57.07 55.67 2bua s TYR 457 Cb -0.17 -0.99 -0.04 0.00 -0.11 0.00 0.00 41.96 40.65 2bua s TYR 457 CO -0.19 0.59 0.02 -1.54 -1.11 0.00 0.00 175.55 173.32 2bua s SER 458 N -3.47 0.62 0.05 2.29 1.04 -0.56 -4.50 113.70 109.17 2bua s SER 458 Ca 0.28 -1.15 -0.05 0.00 0.48 0.00 0.00 55.95 55.52 2bua s SER 458 Cb -0.03 0.22 -0.02 0.00 0.10 0.00 0.00 66.02 66.30 2bua s SER 458 CO 0.13 -0.65 0.07 0.00 0.98 0.00 0.00 173.24 173.77 2bua s ALA 459 N -3.90 0.06 -0.17 5.32 0.00 -1.26 -1.49 121.76 120.33 2bua s ALA 459 Ca 0.20 -0.73 -0.03 0.00 0.00 0.00 0.00 51.96 51.41 2bua s ALA 459 Cb 0.07 0.29 0.05 0.00 0.00 0.00 0.00 23.12 23.53 2bua s ALA 459 CO -0.00 -0.35 0.04 0.45 0.00 0.00 0.00 175.76 175.89 2bua s SER 460 N -2.41 2.56 0.15 0.00 0.15 -0.85 -4.98 113.70 108.30 2bua s SER 460 Ca -0.01 -0.64 -0.08 0.00 0.70 0.00 0.00 55.95 55.92 2bua s SER 460 Cb 0.02 -0.52 -0.06 0.00 -1.71 0.00 0.00 66.02 63.75 2bua s SER 460 CO -0.07 -0.29 0.44 -0.36 1.20 0.00 0.00 173.24 174.16 2bua s PHE 461 N 1.92 3.50 0.93 3.44 0.40 -1.26 -1.06 117.98 125.85 2bua s PHE 461 Ca 0.01 0.73 -0.15 0.00 -0.60 0.00 0.00 56.93 56.92 2bua s PHE 461 Cb -0.16 -2.13 0.17 0.00 0.51 0.00 0.00 43.02 41.40 2bua s PHE 461 CO -0.07 0.42 1.26 -1.54 0.70 0.00 0.00 175.22 175.98 2bua s SER 462 N -2.18 3.42 0.50 1.36 1.04 -0.26 -4.90 113.70 112.68 2bua s SER 462 Ca 0.40 0.47 -0.23 0.00 0.48 0.00 0.00 55.95 57.07 2bua s SER 462 Cb -0.13 -0.68 -0.06 0.00 0.10 0.00 0.00 66.02 65.25 2bua s SER 462 CO 0.21 -2.56 1.34 0.20 0.98 0.00 0.00 173.24 173.42 2bua s ASN 463 N -4.70 5.60 0.00 7.02 0.02 -1.07 -1.53 114.94 120.27 2bua s ASN 463 Ca 0.70 2.73 0.00 0.00 -1.02 0.00 0.00 52.86 55.27 2bua s ASN 463 Cb -0.07 -2.64 0.00 0.00 0.02 0.00 0.00 41.25 38.57 2bua s ASN 463 CO 0.52 -1.35 0.00 0.29 0.02 0.00 0.00 177.10 176.58 2bua n LYS 464 N -0.68 -1.25 -3.84 -0.60 5.02 -1.26 -3.57 118.16 111.99 2bua n LYS 464 Ca 0.08 0.31 -0.27 0.00 -2.02 0.00 0.00 58.31 56.41 2bua n LYS 464 Cb 0.45 -4.58 0.03 0.00 -0.02 0.00 0.00 35.03 30.91 2bua n LYS 464 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bua n ALA 465 N 1.00 -1.49 0.05 7.82 0.00 -0.58 -4.90 120.51 122.40 2bua n ALA 465 Ca 0.00 0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.44 2bua n ALA 465 Cb 0.31 -3.84 -0.13 0.00 0.00 0.00 0.00 19.45 15.79 2bua n ALA 465 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2bua h LYS 466 N -2.07 0.09 -4.73 0.00 1.57 -1.76 -3.42 116.57 106.24 2bua h LYS 466 Ca -0.59 -0.16 -0.25 0.00 -1.87 0.00 0.00 60.65 57.78 2bua h LYS 466 Cb 1.37 0.06 -0.15 0.00 0.08 0.00 0.00 32.23 33.59 2bua h LYS 466 CO 0.64 0.94 -0.69 0.71 -0.57 0.00 0.00 179.45 180.47 2bua s TYR 467 N -2.65 1.00 -0.04 -1.35 2.02 -1.26 0.27 117.35 115.34 2bua s TYR 467 Ca -0.03 -0.92 -0.23 0.00 -0.37 0.00 0.00 57.07 55.52 2bua s TYR 467 Cb 0.08 -0.57 0.05 0.00 -0.40 0.00 0.00 41.96 41.12 2bua s TYR 467 CO 0.84 -0.14 0.50 1.52 -1.57 0.00 0.00 175.55 176.70 2bua s TYR 468 N -3.60 -0.43 -0.16 2.71 1.13 -0.37 -1.10 117.35 115.54 2bua s TYR 468 Ca 0.15 0.72 -0.08 0.00 -1.41 0.00 0.00 57.07 56.44 2bua s TYR 468 Cb 0.05 0.25 -0.04 0.00 -1.10 0.00 0.00 41.96 41.12 2bua s TYR 468 CO -0.02 -0.50 0.13 -1.14 -2.51 0.00 0.00 175.55 171.51 2bua s GLN 469 N -1.23 3.81 -0.13 -3.49 0.74 -0.22 -0.06 119.66 119.08 2bua s GLN 469 Ca -0.12 -0.18 -0.04 0.00 0.05 0.00 0.00 55.36 55.07 2bua s GLN 469 Cb -0.03 -3.30 -0.03 0.00 1.10 0.00 0.00 33.01 30.75 2bua s GLN 469 CO 0.07 0.54 0.01 -0.51 -0.55 0.00 0.00 175.29 174.84 2bua s LEU 470 N -0.32 3.54 -0.22 3.68 1.43 0.12 -2.02 118.68 124.89 2bua s LEU 470 Ca 0.11 0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 2bua s LEU 470 Cb -0.12 -1.85 0.04 0.00 0.03 0.00 0.00 46.19 44.30 2bua s LEU 470 CO 0.01 0.26 -0.15 -0.13 0.23 0.00 0.00 176.35 176.57 2bua s ARG 471 N -0.18 2.55 -0.26 1.70 0.52 -0.55 -1.75 118.95 120.98 2bua s ARG 471 Ca 0.05 -1.08 -0.10 0.00 -0.52 0.00 0.00 55.73 54.09 2bua s ARG 471 Cb -0.12 -2.71 -0.05 0.00 0.52 0.00 0.00 34.95 32.59 2bua s ARG 471 CO 0.02 -0.40 0.15 0.00 0.02 0.00 0.00 175.30 175.09 2bua n PHE 473 N 4.81 0.50 -0.54 0.00 3.01 -0.03 -1.47 117.46 123.73 2bua n PHE 473 Ca -0.15 -0.38 0.00 0.00 1.01 0.00 0.00 57.45 57.94 2bua n PHE 473 Cb 0.52 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 2bua n PHE 473 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2bua n GLY 474 N 0.93 -1.41 0.13 1.37 0.00 -1.25 0.13 105.19 105.07 2bua n GLY 474 Ca 0.15 -1.52 0.11 0.00 0.00 0.00 0.00 46.02 44.76 2bua n GLY 474 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bua n PRO 475 N -1.06 0.17 -0.29 1.61 -0.04 -0.49 -0.51 135.00 134.38 2bua n PRO 475 Ca 0.00 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 2bua n PRO 475 Cb 0.00 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 2bua n PRO 475 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bua n GLY 476 N -0.23 -0.18 3.76 0.55 0.00 -0.16 -4.54 105.19 104.39 2bua n GLY 476 Ca 0.02 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 2bua n GLY 476 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bua s LEU 477 N 0.00 4.38 0.43 0.99 1.43 -1.26 -4.56 118.68 120.09 2bua s LEU 477 Ca 0.00 2.79 -0.23 0.00 -1.03 0.00 0.00 54.13 55.67 2bua s LEU 477 Cb 0.00 -3.64 -0.12 0.00 0.03 0.00 0.00 46.19 42.46 2bua s LEU 477 CO 0.00 -0.73 0.64 -2.65 0.23 0.00 0.00 176.35 173.84 2bua n PRO 478 N 1.60 0.71 -3.68 1.29 -0.02 -1.26 -4.76 135.00 128.87 2bua n PRO 478 Ca 0.04 0.26 -0.17 0.00 -2.02 0.00 0.00 63.50 61.61 2bua n PRO 478 Cb 0.40 -1.62 -0.16 0.00 -0.02 0.00 0.00 33.50 32.10 2bua n PRO 478 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2bua s LEU 479 N 1.23 0.09 -0.12 2.45 2.96 -0.54 -4.35 118.68 120.40 2bua s LEU 479 Ca 0.64 0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 54.77 2bua s LEU 479 Cb -0.59 0.16 -0.03 0.00 0.50 0.00 0.00 46.19 46.23 2bua s LEU 479 CO 0.57 -0.23 -0.00 -0.31 -1.32 0.00 0.00 176.35 175.06 2bua s TYR 480 N 2.12 3.13 0.05 5.38 1.51 -0.24 -1.68 117.35 127.61 2bua s TYR 480 Ca 0.02 0.01 -0.00 0.00 -1.01 0.00 0.00 57.07 56.09 2bua s TYR 480 Cb -0.12 -1.89 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 2bua s TYR 480 CO -0.05 0.25 -0.03 0.95 -1.11 0.00 0.00 175.55 175.56 2bua s THR 481 N -0.26 0.24 -0.12 -0.71 -4.23 -0.71 -1.52 115.64 108.32 2bua s THR 481 Ca 0.06 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 2bua s THR 481 Cb -0.12 -1.22 -0.02 0.00 1.34 0.00 0.00 72.50 72.48 2bua s THR 481 CO 0.02 -0.86 -0.12 -0.22 -0.54 0.00 0.00 174.62 172.90 2bua s LEU 482 N -2.56 2.77 0.16 4.79 1.98 -0.82 0.11 118.68 125.11 2bua s LEU 482 Ca 0.02 -0.29 0.05 0.00 -2.89 0.00 0.00 54.13 51.02 2bua s LEU 482 Cb 0.03 -1.62 -0.04 0.00 0.66 0.00 0.00 46.19 45.22 2bua s LEU 482 CO -0.07 0.19 -0.12 -1.00 -1.89 0.00 0.00 176.35 173.46 2bua s HIS 483 N 0.21 1.38 -0.08 5.38 3.76 0.91 -1.02 115.29 125.83 2bua s HIS 483 Ca -0.08 -0.69 -0.04 0.00 -0.15 0.00 0.00 55.06 54.10 2bua s HIS 483 Cb -0.15 -0.69 -0.04 0.00 1.11 0.00 0.00 32.58 32.81 2bua s HIS 483 CO 0.05 0.16 0.10 0.45 -0.85 0.00 0.00 174.74 174.64 2bua s SER 484 N -3.13 5.96 0.34 1.40 0.15 -0.94 -1.24 113.70 116.24 2bua s SER 484 Ca 0.17 0.32 0.18 0.00 0.70 0.00 0.00 55.95 57.32 2bua s SER 484 Cb 0.01 -1.83 0.28 0.00 -1.71 0.00 0.00 66.02 62.77 2bua s SER 484 CO 0.02 0.36 1.55 0.28 1.20 0.00 0.00 173.24 176.65 2bua h SER 485 N 4.76 0.00 0.00 5.45 0.02 -0.44 -1.64 113.55 121.70 2bua h SER 485 Ca -0.52 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.43 2bua h SER 485 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2bua h SER 485 CO 0.59 0.35 -0.00 0.77 -1.14 0.00 0.00 176.83 177.40 2bua h SER 486 N 0.00 -0.00 -0.07 3.07 4.64 -1.91 -3.36 113.55 115.92 2bua h SER 486 Ca -0.00 -0.76 0.00 0.00 -0.47 0.00 0.00 61.79 60.56 2bua h SER 486 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2bua h SER 486 CO 0.05 0.76 0.00 -1.54 -0.87 0.00 0.00 176.83 175.23 2bua n SER 487 N -4.72 2.77 -0.09 4.97 3.41 -1.26 -4.93 113.62 113.76 2bua n SER 487 Ca -0.09 -1.86 -0.01 0.00 -0.26 0.00 0.00 58.87 56.65 2bua n SER 487 Cb 0.37 -0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 64.29 2bua n SER 487 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2bua n ASP 488 N 1.16 -3.86 -4.79 4.04 10.43 -0.62 -4.89 116.55 118.03 2bua n ASP 488 Ca 0.13 0.02 -0.35 0.00 2.57 0.00 0.00 54.79 57.15 2bua n ASP 488 Cb 0.52 -2.50 -0.04 0.00 1.84 0.00 0.00 41.12 40.94 2bua n ASP 488 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 2bua s LYS 489 N -1.42 4.00 -0.70 -1.24 2.20 -1.25 -4.79 119.74 116.54 2bua s LYS 489 Ca 0.00 1.45 -0.21 0.00 -0.36 0.00 0.00 55.97 56.85 2bua s LYS 489 Cb 0.00 -2.34 0.09 0.00 -1.51 0.00 0.00 37.83 34.07 2bua s LYS 489 CO 0.00 -0.27 0.94 -2.00 -0.36 0.00 0.00 175.35 173.66 2bua s GLU 490 N -2.83 3.20 0.19 4.03 2.12 -1.26 -2.22 118.70 121.93 2bua s GLU 490 Ca 0.62 -1.14 -0.14 0.00 0.36 0.00 0.00 54.97 54.67 2bua s GLU 490 Cb -0.19 -4.38 0.19 0.00 0.26 0.00 0.00 34.13 30.01 2bua s GLU 490 CO 0.24 -1.75 1.67 -0.07 -0.54 0.00 0.00 175.26 174.82 2bua h LEU 491 N 10.84 -0.28 -7.56 2.70 -0.00 -1.43 -3.47 115.31 116.12 2bua h LEU 491 Ca -0.20 0.13 0.25 0.00 -0.00 0.00 0.00 57.88 58.06 2bua h LEU 491 Cb 1.06 0.24 -0.09 0.00 -0.00 0.00 0.00 40.66 41.88 2bua h LEU 491 CO 1.15 -0.10 0.68 0.00 -0.00 0.00 0.00 178.44 180.17 2bua s ARG 492 N -6.18 0.81 -0.34 1.13 1.70 -1.19 -5.02 118.95 109.86 2bua s ARG 492 Ca -0.14 -0.47 -0.15 0.00 -0.47 0.00 0.00 55.73 54.51 2bua s ARG 492 Cb 0.16 0.26 -0.02 0.00 -0.57 0.00 0.00 34.95 34.79 2bua s ARG 492 CO 0.72 -0.38 0.33 0.08 -1.08 0.00 0.00 175.30 174.98 2bua s VAL 493 N -2.63 5.20 0.03 4.99 1.01 -1.26 -1.94 120.40 125.80 2bua s VAL 493 Ca 0.16 0.01 -0.10 0.00 0.00 0.00 0.00 61.98 62.05 2bua s VAL 493 Cb 0.01 -3.79 -0.32 0.00 0.00 0.00 0.00 36.38 32.29 2bua s VAL 493 CO 0.00 -0.06 1.00 -0.07 0.00 0.00 0.00 175.10 175.97 2bua h LEU 494 N 8.67 0.63 -6.88 3.92 3.38 -1.62 -3.47 115.31 119.95 2bua h LEU 494 Ca -0.30 -0.71 0.10 0.00 0.09 0.00 0.00 57.88 57.05 2bua h LEU 494 Cb 1.15 -0.20 -0.22 0.00 0.09 0.00 0.00 40.66 41.48 2bua h LEU 494 CO 0.67 1.57 0.04 -0.70 0.09 0.00 0.00 178.44 180.11 2bua s GLU 495 N -2.62 0.51 0.00 1.13 2.56 -1.14 -4.99 118.70 114.15 2bua s GLU 495 Ca -0.08 1.15 0.03 0.00 0.00 0.00 0.00 54.97 56.07 2bua s GLU 495 Cb 0.06 0.55 0.07 0.00 2.00 0.00 0.00 34.13 36.80 2bua s GLU 495 CO 0.91 -0.15 0.93 -0.40 -0.56 0.00 0.00 175.26 175.99 2bua n ASP 496 N 4.94 1.97 -2.89 -1.70 5.75 -1.26 -1.08 116.55 122.28 2bua n ASP 496 Ca -0.13 -1.75 -0.20 0.00 -0.01 0.00 0.00 54.79 52.70 2bua n ASP 496 Cb 0.53 -0.05 0.01 0.00 -1.03 0.00 0.00 41.12 40.58 2bua n ASP 496 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2bua n ASN 497 N -0.10 -4.74 0.28 -1.12 3.02 -1.26 -4.85 115.26 106.49 2bua n ASN 497 Ca 0.03 -0.15 0.13 0.00 -0.03 0.00 0.00 54.58 54.56 2bua n ASN 497 Cb 0.23 -3.92 0.82 0.00 -0.61 0.00 0.00 39.78 36.31 2bua n ASN 497 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2bua h SER 498 N -0.70 0.00 -0.21 6.41 4.64 -1.94 -1.90 113.55 119.84 2bua h SER 498 Ca -0.43 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.85 2bua h SER 498 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 2bua h SER 498 CO 0.50 0.02 -0.03 0.00 -0.87 0.00 0.00 176.83 176.45 2bua h ALA 499 N 1.98 0.29 -0.69 5.18 0.00 -1.97 -2.31 119.26 121.74 2bua h ALA 499 Ca -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2bua h ALA 499 Cb 0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2bua h ALA 499 CO 0.00 0.05 0.33 1.25 0.00 0.00 0.00 179.25 180.89 2bua h LEU 500 N 0.14 0.91 -0.63 0.00 5.85 -1.63 -2.38 115.31 117.57 2bua h LEU 500 Ca 0.06 -0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.73 2bua h LEU 500 Cb 0.47 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.20 2bua h LEU 500 CO 0.02 0.79 0.27 -0.78 -0.34 0.00 0.00 178.44 178.40 2bua h ASP 501 N 0.96 0.32 0.24 1.25 3.58 -1.28 -0.90 116.42 120.59 2bua h ASP 501 Ca 0.24 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.76 2bua h ASP 501 Cb 0.12 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 2bua h ASP 501 CO -0.03 0.19 -0.26 0.50 -2.88 0.00 0.00 179.24 176.77 2bua h LYS 502 N 0.48 -0.52 -0.79 0.28 1.63 -0.93 -2.72 116.57 114.02 2bua h LYS 502 Ca 0.31 0.04 0.05 0.00 -0.85 0.00 0.00 60.65 60.20 2bua h LYS 502 Cb 0.34 0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 32.03 2bua h LYS 502 CO -0.27 -0.34 0.48 0.52 -3.45 0.00 0.00 179.45 176.38 2bua h MET 503 N -0.54 0.87 0.00 1.90 2.86 -1.03 -3.01 114.93 115.99 2bua h MET 503 Ca -0.00 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2bua h MET 503 Cb 0.50 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 2bua h MET 503 CO -0.07 0.58 -0.13 -0.07 1.06 0.00 0.00 176.91 178.28 2bua h LEU 504 N 0.90 0.00 0.00 1.22 3.38 -1.02 -2.84 115.31 116.95 2bua h LEU 504 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 2bua h LEU 504 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2bua h LEU 504 CO -0.16 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.50 2bua n GLN 505 N -3.28 0.09 0.00 1.13 10.64 -1.04 -1.84 117.38 123.08 2bua n GLN 505 Ca 0.00 0.12 0.12 0.00 -1.83 0.00 0.00 57.00 55.42 2bua n GLN 505 Cb 0.38 -1.50 0.24 0.00 -0.86 0.00 0.00 30.24 28.50 2bua n GLN 505 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2bua n ASP 506 N -1.44 2.00 -4.17 2.61 -0.08 -1.07 -4.93 116.55 109.47 2bua n ASP 506 Ca 0.07 -1.54 -0.20 0.00 -1.51 0.00 0.00 54.79 51.60 2bua n ASP 506 Cb 0.23 0.14 -0.13 0.00 2.34 0.00 0.00 41.12 43.70 2bua n ASP 506 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2bua s VAL 507 N -2.21 1.21 -1.02 5.18 0.11 -0.77 -3.71 120.40 119.18 2bua s VAL 507 Ca 0.28 -1.14 -0.23 0.00 -2.93 0.00 0.00 61.98 57.96 2bua s VAL 507 Cb 0.20 -1.10 0.02 0.00 -1.53 0.00 0.00 36.38 33.96 2bua s VAL 507 CO 0.42 -0.04 1.65 -1.10 -3.33 0.00 0.00 175.10 172.69 2bua s GLN 508 N -1.35 3.28 0.41 1.54 -0.21 0.18 -4.95 119.66 118.57 2bua s GLN 508 Ca 0.02 -0.98 -0.21 0.00 0.02 0.00 0.00 55.36 54.20 2bua s GLN 508 Cb -0.09 -5.29 -0.11 0.00 1.00 0.00 0.00 33.01 28.53 2bua s GLN 508 CO 0.02 -2.64 0.93 -1.64 -2.12 0.00 0.00 175.29 169.84 2bua s MET 509 N 5.55 4.25 0.80 2.91 -1.94 -1.26 -4.22 119.30 125.39 2bua s MET 509 Ca 0.55 1.11 -0.10 0.00 -1.71 0.00 0.00 55.69 55.53 2bua s MET 509 Cb -0.01 -2.25 0.11 0.00 2.01 0.00 0.00 34.83 34.68 2bua s MET 509 CO -0.04 0.01 1.15 -1.25 -0.01 0.00 0.00 175.02 174.87 2bua s PRO 510 N -3.06 1.69 0.13 2.03 0.04 -1.26 -4.46 135.00 130.10 2bua s PRO 510 Ca 0.60 -0.24 0.10 0.00 0.04 0.00 0.00 61.00 61.51 2bua s PRO 510 Cb -0.10 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2bua s PRO 510 CO 0.14 -1.67 -0.24 -1.54 0.04 0.00 0.00 177.00 173.74 2bua s SER 511 N -4.65 3.53 -0.20 6.66 1.04 -0.56 -4.93 113.70 114.60 2bua s SER 511 Ca 0.65 -0.68 -0.03 0.00 0.48 0.00 0.00 55.95 56.37 2bua s SER 511 Cb -0.09 -0.34 -0.01 0.00 0.10 0.00 0.00 66.02 65.68 2bua s SER 511 CO 0.48 0.18 -0.07 -0.75 0.98 0.00 0.00 173.24 174.06 2bua s LYS 512 N -2.09 3.36 -0.08 4.02 2.20 -1.26 0.46 119.74 126.35 2bua s LYS 512 Ca 0.15 -0.65 0.04 0.00 -0.36 0.00 0.00 55.97 55.16 2bua s LYS 512 Cb -0.10 -2.89 -0.01 0.00 -1.51 0.00 0.00 37.83 33.31 2bua s LYS 512 CO 0.08 -0.10 -0.21 0.21 -0.36 0.00 0.00 175.35 174.97 2bua s LYS 513 N 1.19 2.79 -0.06 4.03 2.20 -0.65 -4.97 119.74 124.26 2bua s LYS 513 Ca 0.02 -0.82 0.02 0.00 -0.36 0.00 0.00 55.97 54.83 2bua s LYS 513 Cb -0.14 -2.31 -0.03 0.00 -1.51 0.00 0.00 37.83 33.84 2bua s LYS 513 CO -0.02 0.36 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.70 2bua s LEU 514 N -0.08 2.88 0.00 5.43 1.02 -1.26 -1.46 118.68 125.21 2bua s LEU 514 Ca -0.05 -0.15 -0.01 0.00 0.02 0.00 0.00 54.13 53.95 2bua s LEU 514 Cb -0.14 -1.60 0.00 0.00 0.02 0.00 0.00 46.19 44.47 2bua s LEU 514 CO 0.04 0.34 0.05 -0.67 0.02 0.00 0.00 176.35 176.13 2bua n ASP 515 N 2.37 -0.14 -4.27 2.29 4.64 -0.88 -5.03 116.55 115.54 2bua n ASP 515 Ca -0.17 -1.11 -0.15 0.00 -1.38 0.00 0.00 54.79 51.97 2bua n ASP 515 Cb 0.52 0.23 -0.10 0.00 -1.04 0.00 0.00 41.12 40.74 2bua n ASP 515 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2bua s VAL 516 N -2.79 1.20 0.09 5.18 1.01 -1.26 -1.99 120.40 121.83 2bua s VAL 516 Ca 0.01 -2.07 -0.09 0.00 0.00 0.00 0.00 61.98 59.83 2bua s VAL 516 Cb -0.00 -1.93 -0.00 0.00 0.00 0.00 0.00 36.38 34.44 2bua s VAL 516 CO 0.01 -0.68 0.20 0.27 0.00 0.00 0.00 175.10 174.90 2bua s ILE 517 N -3.31 0.14 -0.13 2.22 -4.36 -0.82 -4.99 121.20 109.95 2bua s ILE 517 Ca 0.19 -1.17 -0.06 0.00 -0.26 0.00 0.00 60.65 59.36 2bua s ILE 517 Cb 0.03 -1.34 -0.04 0.00 1.25 0.00 0.00 42.46 42.36 2bua s ILE 517 CO 0.02 -0.64 0.08 0.20 0.24 0.00 0.00 174.94 174.84 2bua s ASN 518 N -2.86 5.83 -0.06 4.36 -0.87 -1.26 -1.27 114.94 118.80 2bua s ASN 518 Ca 0.05 0.26 -0.03 0.00 -1.57 0.00 0.00 52.86 51.57 2bua s ASN 518 Cb 0.05 -1.85 0.04 0.00 -0.02 0.00 0.00 41.25 39.46 2bua s ASN 518 CO -0.11 0.33 0.12 -0.76 -2.57 0.00 0.00 177.10 174.11 2bua s LEU 519 N -0.57 0.34 -1.43 0.60 1.43 -0.14 -4.84 118.68 114.06 2bua s LEU 519 Ca 0.11 0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 53.39 2bua s LEU 519 Cb -0.12 0.18 0.03 0.00 0.03 0.00 0.00 46.19 46.31 2bua s LEU 519 CO 0.02 -0.20 0.50 1.41 0.23 0.00 0.00 176.35 178.31 2bua n HIS 520 N 4.86 -1.83 -0.93 0.29 8.25 -1.26 -0.75 115.22 123.85 2bua n HIS 520 Ca -0.14 0.45 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 2bua n HIS 520 Cb 0.50 -3.79 0.00 0.00 1.12 0.00 0.00 29.99 27.82 2bua n HIS 520 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bua n GLY 521 N -1.33 0.54 3.46 -1.41 0.00 -1.26 -5.00 105.19 100.19 2bua n GLY 521 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 2bua n GLY 521 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bua s THR 522 N -2.43 3.11 -0.10 2.61 2.01 0.07 -5.10 115.64 115.82 2bua s THR 522 Ca 0.00 -0.69 -0.22 0.00 0.31 0.00 0.00 61.69 61.09 2bua s THR 522 Cb 0.00 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 2bua s THR 522 CO 0.00 0.58 0.65 -1.59 -0.69 0.00 0.00 174.62 173.57 2bua s LYS 523 N -0.48 4.38 0.16 4.92 -2.85 -1.26 -0.96 119.74 123.65 2bua s LYS 523 Ca 0.06 0.76 0.10 0.00 -1.00 0.00 0.00 55.97 55.89 2bua s LYS 523 Cb -0.12 -3.47 -0.04 0.00 -2.06 0.00 0.00 37.83 32.14 2bua s LYS 523 CO 0.02 0.03 -0.21 -0.06 0.10 0.00 0.00 175.35 175.22 2bua s PHE 524 N 0.97 2.00 0.32 1.78 0.40 -0.40 -4.96 117.98 118.09 2bua s PHE 524 Ca 0.34 -0.42 -0.02 0.00 -0.60 0.00 0.00 56.93 56.23 2bua s PHE 524 Cb -0.17 -1.02 -0.04 0.00 0.51 0.00 0.00 43.02 42.30 2bua s PHE 524 CO 0.15 0.37 0.55 -1.58 0.70 0.00 0.00 175.22 175.42 2bua s TRP 525 N -1.73 3.49 0.14 0.36 0.52 -1.26 -1.95 118.94 118.51 2bua s TRP 525 Ca 0.16 0.50 -0.16 0.00 0.02 0.00 0.00 56.10 56.62 2bua s TRP 525 Cb -0.07 -2.01 0.03 0.00 -1.15 0.00 0.00 33.47 30.27 2bua s TRP 525 CO 0.07 0.14 0.41 1.52 0.02 0.00 0.00 176.95 179.11 2bua s TYR 526 N -2.21 -0.14 0.09 -1.98 -0.85 -0.84 -1.96 117.35 109.46 2bua s TYR 526 Ca 0.42 -0.19 0.02 0.00 -0.52 0.00 0.00 57.07 56.80 2bua s TYR 526 Cb -0.10 0.25 -0.04 0.00 0.38 0.00 0.00 41.96 42.45 2bua s TYR 526 CO 0.34 -0.73 -0.07 1.14 -1.52 0.00 0.00 175.55 174.71 2bua s GLN 527 N -3.83 0.80 -0.05 -3.49 -2.07 -0.27 -2.06 119.66 108.68 2bua s GLN 527 Ca 0.05 -1.27 -0.02 0.00 -1.82 0.00 0.00 55.36 52.30 2bua s GLN 527 Cb 0.02 -0.21 0.04 0.00 -1.09 0.00 0.00 33.01 31.77 2bua s GLN 527 CO -0.10 -0.01 0.10 -1.64 -1.32 0.00 0.00 175.29 172.32 2bua s MET 528 N -3.59 0.03 -0.39 9.60 -1.94 -0.53 -1.57 119.30 120.91 2bua s MET 528 Ca 0.09 0.31 -0.18 0.00 -1.71 0.00 0.00 55.69 54.21 2bua s MET 528 Cb 0.04 -0.22 0.01 0.00 2.01 0.00 0.00 34.83 36.66 2bua s MET 528 CO -0.04 -0.18 0.49 0.42 -0.01 0.00 0.00 175.02 175.70 2bua s ILE 529 N 1.23 5.02 -0.10 2.53 -1.09 0.76 -1.64 121.20 127.91 2bua s ILE 529 Ca -0.08 0.01 -0.09 0.00 -2.23 0.00 0.00 60.65 58.26 2bua s ILE 529 Cb -0.12 -4.02 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 2bua s ILE 529 CO -0.05 -0.35 0.21 -0.76 -1.23 0.00 0.00 174.94 172.76 2bua s LEU 530 N 2.33 4.39 0.72 2.97 1.43 0.17 -2.53 118.68 128.18 2bua s LEU 530 Ca 0.16 0.57 -0.16 0.00 -1.03 0.00 0.00 54.13 53.68 2bua s LEU 530 Cb -0.16 -2.20 0.03 0.00 0.03 0.00 0.00 46.19 43.89 2bua s LEU 530 CO 0.14 0.37 1.26 -2.84 0.23 0.00 0.00 176.35 175.51 2bua s PRO 531 N -0.91 2.10 0.62 1.29 0.02 -1.26 -1.49 135.00 135.37 2bua s PRO 531 Ca 0.17 1.94 -0.18 0.00 0.02 0.00 0.00 61.00 62.94 2bua s PRO 531 Cb -0.13 -1.81 -0.03 0.00 0.02 0.00 0.00 34.50 32.55 2bua s PRO 531 CO 0.06 -1.91 1.17 -2.30 -0.33 0.00 0.00 177.00 173.69 2bua n PRO 532 N -2.56 1.07 -3.77 5.54 -0.02 -1.26 -2.63 135.00 131.36 2bua n PRO 532 Ca 0.15 0.42 -0.23 0.00 -2.02 0.00 0.00 63.50 61.82 2bua n PRO 532 Cb 0.49 -2.39 0.02 0.00 -0.02 0.00 0.00 33.50 31.60 2bua n PRO 532 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2bua n HIS 533 N -1.79 -1.86 -1.65 6.00 8.25 -1.26 -4.81 115.22 118.10 2bua n HIS 533 Ca 0.15 0.82 -0.43 0.00 -0.26 0.00 0.00 57.72 58.00 2bua n HIS 533 Cb 0.47 -4.21 -0.03 0.00 1.12 0.00 0.00 29.99 27.34 2bua n HIS 533 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2bua n PHE 534 N -4.32 2.43 -3.54 4.41 7.35 -1.08 -4.94 117.46 117.77 2bua n PHE 534 Ca -0.29 -0.32 -0.41 0.00 -0.76 0.00 0.00 57.45 55.66 2bua n PHE 534 Cb 0.67 -2.79 -0.08 0.00 0.35 0.00 0.00 39.48 37.64 2bua n PHE 534 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2bua s ASP 535 N 4.98 5.80 0.00 -2.13 2.15 -1.26 -4.92 116.67 121.28 2bua s ASP 535 Ca 0.91 -2.15 0.00 0.00 0.43 0.00 0.00 52.55 51.74 2bua s ASP 535 Cb -0.44 -2.02 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 2bua s ASP 535 CO 0.42 -0.64 0.20 2.29 -0.17 0.00 0.00 175.17 177.26 2bua n LYS 536 N 4.59 0.00 -0.01 4.34 0.00 -1.26 -2.12 118.16 123.70 2bua n LYS 536 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.27 2bua n LYS 536 Cb 0.41 -1.30 -0.00 0.00 -0.00 0.00 0.00 35.03 34.13 2bua n LYS 536 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2bua h SER 537 N 0.00 0.00 -2.57 -5.58 0.87 -1.92 -3.39 113.55 100.96 2bua h SER 537 Ca 0.00 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 60.07 2bua h SER 537 Cb 0.00 0.00 0.23 0.00 -0.44 0.00 0.00 62.40 62.19 2bua h SER 537 CO 0.00 0.16 -1.08 1.17 -0.53 0.00 0.00 176.83 176.55 2bua n LYS 538 N -2.74 -0.97 -3.92 2.24 4.81 -0.90 -4.72 118.16 111.95 2bua n LYS 538 Ca -0.01 -0.26 -0.35 0.00 -0.87 0.00 0.00 58.31 56.82 2bua n LYS 538 Cb 0.05 -1.66 -0.14 0.00 0.02 0.00 0.00 35.03 33.30 2bua n LYS 538 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2bua s LYS 539 N -3.33 2.70 0.03 1.64 1.02 -1.26 -4.46 119.74 116.08 2bua s LYS 539 Ca 0.54 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 55.46 2bua s LYS 539 Cb -0.14 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.05 2bua s LYS 539 CO 0.67 -0.49 0.12 0.71 -0.92 0.00 0.00 175.35 175.45 2bua s TYR 540 N 1.31 3.34 0.51 3.18 1.51 -0.74 -4.55 117.35 121.91 2bua s TYR 540 Ca -0.02 0.20 -0.22 0.00 -1.01 0.00 0.00 57.07 56.02 2bua s TYR 540 Cb -0.18 -1.72 -0.06 0.00 -0.11 0.00 0.00 41.96 39.89 2bua s TYR 540 CO -0.03 0.56 1.24 -1.25 -1.11 0.00 0.00 175.55 174.96 2bua s PRO 541 N -2.11 3.43 -0.14 -1.71 0.04 -1.26 -1.94 135.00 131.31 2bua s PRO 541 Ca 0.28 1.93 -0.02 0.00 0.04 0.00 0.00 61.00 63.23 2bua s PRO 541 Cb -0.12 -2.28 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 2bua s PRO 541 CO 0.20 -0.86 -0.08 -1.17 0.04 0.00 0.00 177.00 175.12 2bua s LEU 542 N -3.35 2.99 -0.17 -3.56 0.20 -0.74 -1.75 118.68 112.29 2bua s LEU 542 Ca 0.68 -0.22 -0.02 0.00 0.69 0.00 0.00 54.13 55.26 2bua s LEU 542 Cb -0.33 -1.69 -0.01 0.00 -0.43 0.00 0.00 46.19 43.73 2bua s LEU 542 CO 0.39 0.18 -0.08 -0.22 -0.29 0.00 0.00 176.35 176.32 2bua s LEU 543 N 0.29 2.83 -0.32 -0.68 2.96 0.15 -0.66 118.68 123.24 2bua s LEU 543 Ca -0.07 -0.35 -0.12 0.00 -0.22 0.00 0.00 54.13 53.38 2bua s LEU 543 Cb -0.15 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 2bua s LEU 543 CO 0.04 0.08 0.21 -0.63 -1.32 0.00 0.00 176.35 174.73 2bua s ILE 544 N 0.89 5.15 -0.38 6.68 -1.09 0.11 -0.85 121.20 131.71 2bua s ILE 544 Ca -0.02 -0.17 -0.16 0.00 -2.23 0.00 0.00 60.65 58.07 2bua s ILE 544 Cb -0.15 -3.60 0.01 0.00 -1.58 0.00 0.00 42.46 37.14 2bua s ILE 544 CO 0.00 0.06 0.40 -0.70 -1.23 0.00 0.00 174.94 173.48 2bua s GLU 545 N 1.71 3.30 0.27 2.79 2.12 0.14 -1.55 118.70 127.48 2bua s GLU 545 Ca 0.06 -0.61 0.11 0.00 0.36 0.00 0.00 54.97 54.89 2bua s GLU 545 Cb -0.17 -3.89 -0.05 0.00 0.26 0.00 0.00 34.13 30.28 2bua s GLU 545 CO 0.10 -0.70 -0.14 0.54 -0.54 0.00 0.00 175.26 174.52 2bua s VAL 546 N 2.07 2.81 0.00 3.70 0.11 -0.71 -4.42 120.40 123.96 2bua s VAL 546 Ca 0.12 -2.21 0.00 0.00 -2.93 0.00 0.00 61.98 56.96 2bua s VAL 546 Cb -0.17 -2.48 0.00 0.00 -1.53 0.00 0.00 36.38 32.20 2bua s VAL 546 CO 0.13 -0.37 0.00 0.00 -3.33 0.00 0.00 175.10 171.53 2bua n TYR 547 N -0.64 -0.10 -1.98 1.54 9.36 -1.26 -4.25 117.16 119.82 2bua n TYR 547 Ca -0.06 0.00 -0.20 0.00 3.32 0.00 0.00 57.90 60.96 2bua n TYR 547 Cb 0.59 0.35 -0.05 0.00 -0.63 0.00 0.00 39.34 39.61 2bua n TYR 547 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2bua n ALA 548 N -2.06 -0.47 -2.08 2.98 0.00 -1.26 -3.57 120.51 114.05 2bua n ALA 548 Ca 0.00 0.24 -0.29 0.00 0.00 0.00 0.00 53.44 53.39 2bua n ALA 548 Cb 0.00 -2.05 0.01 0.00 0.00 0.00 0.00 19.45 17.41 2bua n ALA 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2bua s GLY 549 N -2.38 1.58 -0.25 0.00 0.00 -1.26 -4.82 107.32 100.19 2bua s GLY 549 Ca 0.00 -0.33 -0.40 0.00 0.00 0.00 0.00 44.72 43.99 2bua s GLY 549 CO 0.00 -0.11 1.71 -1.55 0.00 0.00 0.00 173.10 173.15 2bua n PRO 550 N -2.51 1.16 -1.98 2.90 -0.04 -1.26 -1.35 135.00 131.91 2bua n PRO 550 Ca 0.03 0.42 -0.08 0.00 -0.04 0.00 0.00 63.50 63.84 2bua n PRO 550 Cb 0.55 -2.10 -0.01 0.00 -0.04 0.00 0.00 33.50 31.90 2bua n PRO 550 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bua s SER 552 N -2.69 5.58 -0.29 0.00 1.04 -0.46 -4.18 113.70 112.70 2bua s SER 552 Ca 0.00 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.42 2bua s SER 552 Cb 0.00 -1.07 0.15 0.00 0.10 0.00 0.00 66.02 65.19 2bua s SER 552 CO 0.00 -0.86 0.34 -1.58 0.98 0.00 0.00 173.24 172.12 2bua s GLN 553 N -4.56 0.36 0.22 4.02 0.74 -1.26 -1.81 119.66 117.36 2bua s GLN 553 Ca 0.53 -0.02 0.23 0.00 0.05 0.00 0.00 55.36 56.15 2bua s GLN 553 Cb -0.10 -0.52 0.05 0.00 1.10 0.00 0.00 33.01 33.54 2bua s GLN 553 CO 0.36 -1.02 1.11 0.87 -0.55 0.00 0.00 175.29 176.06 2bua h LYS 554 N 8.22 0.00 -4.38 1.67 1.79 -1.97 -3.44 116.57 118.45 2bua h LYS 554 Ca -0.12 0.00 -0.73 0.00 -2.18 0.00 0.00 60.65 57.63 2bua h LYS 554 Cb 1.10 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.51 2bua h LYS 554 CO 0.31 0.00 -0.39 0.08 -1.08 0.00 0.00 179.45 178.37 2bua s VAL 555 N -3.34 4.92 0.17 0.50 1.01 -1.26 -4.95 120.40 117.45 2bua s VAL 555 Ca 0.01 -1.10 -0.00 0.00 0.00 0.00 0.00 61.98 60.89 2bua s VAL 555 Cb 0.09 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2bua s VAL 555 CO 0.78 -0.51 0.22 -0.90 0.00 0.00 0.00 175.10 174.69 2bua n ASP 556 N 5.11 -0.61 -1.43 3.32 5.68 -1.26 -4.41 116.55 122.94 2bua n ASP 556 Ca -0.12 -1.94 -0.08 0.00 -0.50 0.00 0.00 54.79 52.16 2bua n ASP 556 Cb 0.44 1.17 0.21 0.00 -1.14 0.00 0.00 41.12 41.80 2bua n ASP 556 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2bua n THR 557 N -0.28 2.70 -2.76 2.12 -2.24 -1.06 -5.01 114.28 107.75 2bua n THR 557 Ca 0.01 -2.43 -0.40 0.00 -2.27 0.00 0.00 64.05 58.96 2bua n THR 557 Cb 0.28 -0.35 -0.06 0.00 -2.10 0.00 0.00 70.33 68.11 2bua n THR 557 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2bua s VAL 558 N -3.21 4.11 -0.06 2.28 1.01 -1.26 -1.40 120.40 121.87 2bua s VAL 558 Ca 0.48 2.07 -0.26 0.00 0.00 0.00 0.00 61.98 64.26 2bua s VAL 558 Cb 0.42 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 2bua s VAL 558 CO 0.04 0.49 0.84 0.12 0.00 0.00 0.00 175.10 176.59 2bua s PHE 559 N -1.11 3.58 -0.06 5.22 5.36 0.34 -4.90 117.98 126.40 2bua s PHE 559 Ca 0.41 1.43 -0.02 0.00 -0.96 0.00 0.00 56.93 57.79 2bua s PHE 559 Cb -0.26 -2.98 0.04 0.00 -0.34 0.00 0.00 43.02 39.48 2bua s PHE 559 CO 0.32 -0.02 0.13 1.03 -1.46 0.00 0.00 175.22 175.21 2bua s ARG 560 N 1.18 0.06 -0.70 10.12 0.52 -1.26 -4.93 118.95 123.94 2bua s ARG 560 Ca 0.44 0.37 -0.20 0.00 -0.52 0.00 0.00 55.73 55.82 2bua s ARG 560 Cb -0.19 -0.22 0.10 0.00 0.52 0.00 0.00 34.95 35.17 2bua s ARG 560 CO 0.21 -0.19 0.88 -0.51 0.02 0.00 0.00 175.30 175.70 2bua s LEU 561 N 1.36 5.07 0.00 2.53 1.02 -1.26 -4.84 118.68 122.56 2bua s LEU 561 Ca -0.07 -1.48 0.00 0.00 0.02 0.00 0.00 54.13 52.60 2bua s LEU 561 Cb -0.12 -2.36 -0.00 0.00 0.02 0.00 0.00 46.19 43.74 2bua s LEU 561 CO -0.05 -1.18 0.01 -1.54 0.02 0.00 0.00 176.35 173.60 2bua n SER 562 N 6.70 2.60 0.02 2.29 3.41 -1.26 -4.98 113.62 122.39 2bua n SER 562 Ca 0.01 -2.16 -0.02 0.00 -0.26 0.00 0.00 58.87 56.44 2bua n SER 562 Cb 0.45 0.22 0.25 0.00 -0.26 0.00 0.00 64.21 64.86 2bua n SER 562 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 2bua h TRP 563 N 1.15 0.52 -0.22 7.33 7.01 -1.98 -1.87 115.95 127.89 2bua h TRP 563 Ca -0.22 -0.08 -0.05 0.00 2.11 0.00 0.00 58.89 60.65 2bua h TRP 563 Cb 0.66 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 2bua h TRP 563 CO 0.00 0.61 -0.09 0.00 -2.79 0.00 0.00 178.44 176.17 2bua h ALA 564 N 1.40 1.43 -0.78 2.65 0.00 -1.96 -1.04 119.26 120.96 2bua h ALA 564 Ca 0.08 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.81 2bua h ALA 564 Cb 0.52 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 2bua h ALA 564 CO 0.03 0.40 0.49 1.15 0.00 0.00 0.00 179.25 181.32 2bua h THR 565 N 0.34 1.10 -0.23 0.00 2.02 -1.66 -0.90 112.91 113.57 2bua h THR 565 Ca 0.07 -0.33 -0.13 0.00 0.77 0.00 0.00 66.41 66.79 2bua h THR 565 Cb 0.38 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2bua h THR 565 CO 0.02 0.17 -0.38 0.22 0.37 0.00 0.00 175.52 175.93 2bua h TYR 566 N 0.95 0.82 -0.63 3.16 3.20 -1.28 -0.83 116.97 122.36 2bua h TYR 566 Ca 0.32 -0.28 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 2bua h TYR 566 Cb 0.04 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 2bua h TYR 566 CO -0.03 1.04 0.35 -0.07 -1.64 0.00 0.00 178.16 177.81 2bua h LEU 567 N 0.36 0.76 0.03 2.82 3.38 -0.75 -0.29 115.31 121.62 2bua h LEU 567 Ca 0.02 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2bua h LEU 567 Cb 0.97 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2bua h LEU 567 CO 0.09 0.61 -0.25 0.00 0.09 0.00 0.00 178.44 178.98 2bua h ALA 568 N 1.52 -0.00 -0.03 1.53 0.00 -1.18 -0.47 119.26 120.63 2bua h ALA 568 Ca 0.22 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2bua h ALA 568 Cb 0.01 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2bua h ALA 568 CO -0.04 0.12 0.01 1.03 0.00 0.00 0.00 179.25 180.38 2bua h SER 569 N -0.86 0.04 0.03 0.00 0.87 -1.09 -2.79 113.55 109.75 2bua h SER 569 Ca -0.05 -0.16 -0.37 0.00 -1.23 0.00 0.00 61.79 59.98 2bua h SER 569 Cb 1.16 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 63.06 2bua h SER 569 CO 0.02 0.18 -2.10 0.41 -0.53 0.00 0.00 176.83 174.82 2bua n THR 570 N -4.99 1.58 1.41 2.23 -1.04 -0.13 -4.51 114.28 108.84 2bua n THR 570 Ca -0.07 -0.42 0.13 0.00 -2.04 0.00 0.00 64.05 61.66 2bua n THR 570 Cb 0.10 -1.76 0.48 0.00 -1.82 0.00 0.00 70.33 67.33 2bua n THR 570 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2bua n GLU 571 N -3.85 1.71 -3.91 -2.82 -0.58 -1.08 -4.96 120.64 105.16 2bua n GLU 571 Ca -0.42 -1.05 -0.27 0.00 -0.42 0.00 0.00 57.16 55.01 2bua n GLU 571 Cb 0.91 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 30.32 2bua n GLU 571 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2bua n ASN 572 N 0.27 -2.04 -4.62 1.62 4.13 -0.83 -4.92 115.26 108.87 2bua n ASN 572 Ca 0.18 -0.90 -0.32 0.00 1.68 0.00 0.00 54.58 55.22 2bua n ASN 572 Cb 0.36 -3.50 -0.10 0.00 -1.54 0.00 0.00 39.78 35.00 2bua n ASN 572 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2bua s ILE 573 N -3.63 3.83 -0.17 2.41 1.01 -0.25 -4.51 121.20 119.90 2bua s ILE 573 Ca 0.26 -0.68 -0.16 0.00 0.00 0.00 0.00 60.65 60.07 2bua s ILE 573 Cb -0.14 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 2bua s ILE 573 CO 0.86 0.41 0.40 -0.63 0.00 0.00 0.00 174.94 175.97 2bua s ILE 574 N -1.01 5.22 -0.24 2.92 1.01 -0.72 -3.47 121.20 124.91 2bua s ILE 574 Ca 0.17 0.75 -0.02 0.00 0.00 0.00 0.00 60.65 61.55 2bua s ILE 574 Cb -0.11 -3.73 0.02 0.00 0.01 0.00 0.00 42.46 38.64 2bua s ILE 574 CO 0.08 0.31 -0.06 -0.69 0.00 0.00 0.00 174.94 174.57 2bua s VAL 575 N 0.90 2.96 0.27 2.92 1.01 -1.05 0.29 120.40 127.71 2bua s VAL 575 Ca 0.21 -0.92 0.11 0.00 0.00 0.00 0.00 61.98 61.38 2bua s VAL 575 Cb -0.14 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 2bua s VAL 575 CO 0.08 0.25 -0.15 0.00 0.00 0.00 0.00 175.10 175.27 2bua s ALA 576 N 1.36 2.85 0.02 5.51 0.00 -0.03 -0.17 121.76 131.30 2bua s ALA 576 Ca 0.01 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.17 2bua s ALA 576 Cb -0.16 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 2bua s ALA 576 CO -0.04 0.29 -0.03 -1.12 0.00 0.00 0.00 175.76 174.85 2bua s SER 577 N -3.51 0.28 -0.03 0.00 0.01 -0.61 -0.69 113.70 109.16 2bua s SER 577 Ca 0.30 -0.53 -0.01 0.00 1.31 0.00 0.00 55.95 57.02 2bua s SER 577 Cb -0.06 0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.30 2bua s SER 577 CO 0.16 -0.31 0.06 0.12 0.41 0.00 0.00 173.24 173.68 2bua s PHE 578 N -1.58 -0.04 -0.37 2.43 5.36 -1.26 -1.12 117.98 121.40 2bua s PHE 578 Ca -0.15 0.20 -0.10 0.00 -0.96 0.00 0.00 56.93 55.92 2bua s PHE 578 Cb -0.09 -0.11 0.03 0.00 -0.34 0.00 0.00 43.02 42.51 2bua s PHE 578 CO -0.01 -0.08 0.19 -0.51 -1.46 0.00 0.00 175.22 173.34 2bua s ASP 579 N 0.72 5.63 0.00 6.13 1.01 -0.83 -4.82 116.67 124.51 2bua s ASP 579 Ca -0.06 -1.07 0.00 0.00 0.71 0.00 0.00 52.55 52.13 2bua s ASP 579 Cb -0.08 -1.98 0.00 0.00 1.01 0.00 0.00 42.92 41.86 2bua s ASP 579 CO -0.03 -0.39 0.00 0.61 0.21 0.00 0.00 175.17 175.58 2bua n GLY 580 N 4.95 3.54 3.74 0.21 0.00 -1.26 -4.05 105.19 112.33 2bua n GLY 580 Ca -0.12 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 2bua n GLY 580 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bua s ARG 581 N 4.04 4.25 0.00 1.61 0.52 -1.26 -2.21 118.95 125.90 2bua s ARG 581 Ca 0.00 2.33 0.00 0.00 -0.52 0.00 0.00 55.73 57.54 2bua s ARG 581 Cb 0.00 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.36 2bua s ARG 581 CO 0.00 -0.45 0.00 0.41 0.02 0.00 0.00 175.30 175.28 2bua n GLY 582 N 2.36 2.35 3.61 -3.53 0.00 0.95 -3.95 105.19 106.97 2bua n GLY 582 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 2bua n GLY 582 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bua s SER 583 N 0.06 2.24 0.52 1.61 1.04 -0.94 -0.84 113.70 117.39 2bua s SER 583 Ca 0.00 1.69 0.04 0.00 0.48 0.00 0.00 55.95 58.15 2bua s SER 583 Cb 0.00 -2.33 0.04 0.00 0.10 0.00 0.00 66.02 63.83 2bua s SER 583 CO 0.00 -3.45 0.31 0.61 0.98 0.00 0.00 173.24 171.70 2bua n GLY 584 N 0.05 2.93 2.32 7.32 0.00 -0.75 -3.61 105.19 113.44 2bua n GLY 584 Ca 0.07 -2.31 -0.09 0.00 0.00 0.00 0.00 46.02 43.68 2bua n GLY 584 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bua n TYR 585 N -1.64 0.00 -1.52 1.61 4.01 -1.26 -4.86 117.16 113.50 2bua n TYR 585 Ca -0.06 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.71 2bua n TYR 585 Cb 0.61 -1.89 0.04 0.00 -0.31 0.00 0.00 39.34 37.79 2bua n TYR 585 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2bua n GLN 586 N -2.56 0.50 0.00 -0.72 6.02 -1.26 -4.54 117.38 114.82 2bua n GLN 586 Ca -0.09 -1.38 0.00 0.00 -0.01 0.00 0.00 57.00 55.52 2bua n GLN 586 Cb 0.33 -0.79 0.00 0.00 1.02 0.00 0.00 30.24 30.80 2bua n GLN 586 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2bua n GLY 587 N -0.40 2.28 0.26 1.08 0.00 -1.26 -4.60 105.19 102.55 2bua n GLY 587 Ca 0.04 -1.76 0.10 0.00 0.00 0.00 0.00 46.02 44.40 2bua n GLY 587 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2bua h ASP 588 N 0.00 0.00 0.24 1.61 5.19 -0.10 -2.49 116.42 120.86 2bua h ASP 588 Ca 0.00 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.42 2bua h ASP 588 Cb 0.00 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.47 2bua h ASP 588 CO 0.00 0.05 -0.48 0.50 -3.12 0.00 0.00 179.24 176.19 2bua h LYS 589 N 0.00 -0.76 -0.19 3.56 3.64 -1.86 0.28 116.57 121.23 2bua h LYS 589 Ca -0.00 0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.27 2bua h LYS 589 Cb 0.11 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2bua h LYS 589 CO 0.01 -0.51 -0.57 0.82 -2.27 0.00 0.00 179.45 176.93 2bua h ILE 590 N -0.79 1.32 -0.14 2.00 2.04 -1.77 -3.19 117.51 116.98 2bua h ILE 590 Ca -0.01 -1.82 -0.05 0.00 1.00 0.00 0.00 64.86 63.98 2bua h ILE 590 Cb 0.77 1.78 -0.00 0.00 -0.74 0.00 0.00 36.82 38.63 2bua h ILE 590 CO -0.20 0.57 -0.12 -0.03 0.00 0.00 0.00 178.15 178.36 2bua h MET 591 N 0.45 0.33 0.00 2.37 4.05 -1.25 0.27 114.93 121.14 2bua h MET 591 Ca 0.00 -0.17 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 2bua h MET 591 Cb 1.12 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.93 2bua h MET 591 CO 0.11 0.71 0.00 0.72 0.23 0.00 0.00 176.91 178.67 2bua n HIS 592 N -4.59 0.00 -0.18 1.39 8.25 0.96 -3.88 115.22 117.16 2bua n HIS 592 Ca -0.06 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.46 2bua n HIS 592 Cb 0.34 0.00 0.34 0.00 1.12 0.00 0.00 29.99 31.80 2bua n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2bua h ALA 593 N 3.29 1.68 -0.49 -1.41 0.00 -1.52 -2.05 119.26 118.77 2bua h ALA 593 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2bua h ALA 593 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2bua h ALA 593 CO 0.00 0.21 0.00 0.44 0.00 0.00 0.00 179.25 179.90 2bua n ILE 594 N -4.48 1.39 -1.68 0.00 -5.35 -1.25 -4.93 119.36 103.06 2bua n ILE 594 Ca 0.10 -0.88 -0.44 0.00 -0.27 0.00 0.00 62.75 61.26 2bua n ILE 594 Cb 0.21 0.01 -0.02 0.00 -1.74 0.00 0.00 39.64 38.09 2bua n ILE 594 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2bua n ASN 595 N 0.78 2.93 -0.50 7.28 4.05 -0.77 -1.32 115.26 127.71 2bua n ASN 595 Ca 0.19 1.14 -0.06 0.00 0.45 0.00 0.00 54.58 56.31 2bua n ASN 595 Cb 0.71 -1.45 -0.02 0.00 1.23 0.00 0.00 39.78 40.24 2bua n ASN 595 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2bua n ARG 596 N 2.04 -1.79 -2.72 1.20 1.74 0.32 -4.79 116.66 112.65 2bua n ARG 596 Ca 0.11 0.61 -0.09 0.00 -0.77 0.00 0.00 57.85 57.71 2bua n ARG 596 Cb 0.32 -4.82 0.06 0.00 -1.02 0.00 0.00 32.46 27.01 2bua n ARG 596 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2bua n ARG 597 N -0.16 1.14 -1.83 5.56 1.85 -0.43 -4.88 116.66 117.91 2bua n ARG 597 Ca -0.06 -2.66 -0.38 0.00 -1.00 0.00 0.00 57.85 53.75 2bua n ARG 597 Cb 0.46 -0.82 0.04 0.00 -1.05 0.00 0.00 32.46 31.09 2bua n ARG 597 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2bua s LEU 598 N -3.06 3.88 0.00 2.89 1.43 -1.21 -2.92 118.68 119.69 2bua s LEU 598 Ca 0.26 2.73 0.00 0.00 -1.03 0.00 0.00 54.13 56.09 2bua s LEU 598 Cb 0.42 -4.26 0.00 0.00 0.03 0.00 0.00 46.19 42.39 2bua s LEU 598 CO -0.02 -1.49 0.00 0.61 0.23 0.00 0.00 176.35 175.68 2bua n GLY 599 N 0.69 0.73 0.00 -3.19 0.00 -1.26 -4.87 105.19 97.30 2bua n GLY 599 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2bua n GLY 599 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bua n THR 600 N -2.00 0.00 -0.37 2.61 -2.24 -1.15 -4.60 114.28 106.53 2bua n THR 600 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 2bua n THR 600 Cb 0.00 -0.48 0.11 0.00 -2.10 0.00 0.00 70.33 67.86 2bua n THR 600 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2bua h PHE 601 N 0.00 1.26 0.00 4.78 0.04 -1.93 -0.05 116.94 121.04 2bua h PHE 601 Ca 0.00 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.71 2bua h PHE 601 Cb 0.00 -0.43 -0.01 0.00 2.20 0.00 0.00 35.95 37.71 2bua h PHE 601 CO 0.00 0.79 -0.41 1.05 -0.60 0.00 0.00 178.31 179.14 2bua h GLU 602 N 1.36 0.00 -0.02 1.51 9.09 -1.90 0.41 114.58 125.02 2bua h GLU 602 Ca 0.37 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.73 2bua h GLU 602 Cb -0.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 26.95 2bua h GLU 602 CO -0.08 0.41 -0.15 0.28 0.05 0.00 0.00 179.01 179.52 2bua h VAL 603 N 0.00 1.52 -0.86 -1.06 2.07 -1.69 -3.07 116.25 113.16 2bua h VAL 603 Ca -0.00 -1.75 0.01 0.00 0.82 0.00 0.00 66.70 65.78 2bua h VAL 603 Cb 0.73 2.61 -0.04 0.00 -1.52 0.00 0.00 31.29 33.07 2bua h VAL 603 CO 0.05 0.47 0.56 -0.33 0.02 0.00 0.00 177.57 178.35 2bua h GLU 604 N -0.50 1.11 0.00 1.57 5.08 -0.88 -2.39 114.58 118.57 2bua h GLU 604 Ca -0.01 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 2bua h GLU 604 Cb 0.85 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2bua h GLU 604 CO 0.03 0.73 -0.24 -0.44 -1.00 0.00 0.00 179.01 178.09 2bua h ASP 605 N 1.14 0.00 -0.22 1.42 3.32 -0.98 -1.58 116.42 119.53 2bua h ASP 605 Ca 0.32 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.23 2bua h ASP 605 Cb -0.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2bua h ASP 605 CO -0.08 0.24 -0.35 1.56 -1.72 0.00 0.00 179.24 178.89 2bua h GLN 606 N 0.00 0.74 -0.07 3.56 1.08 -1.33 -1.53 115.11 117.56 2bua h GLN 606 Ca -0.00 -0.36 -0.02 0.00 -1.45 0.00 0.00 58.65 56.82 2bua h GLN 606 Cb 0.48 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.90 2bua h GLN 606 CO 0.03 0.98 -0.02 0.82 -0.95 0.00 0.00 178.83 179.69 2bua h ILE 607 N 0.62 1.30 -0.47 2.54 2.04 -1.18 -2.04 117.51 120.32 2bua h ILE 607 Ca 0.06 -0.95 -0.09 0.00 1.00 0.00 0.00 64.86 64.88 2bua h ILE 607 Cb 0.89 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 2bua h ILE 607 CO 0.08 0.26 -0.06 -0.08 0.00 0.00 0.00 178.15 178.36 2bua h GLU 608 N -0.22 0.81 -0.46 2.37 4.57 -1.33 -0.89 114.58 119.42 2bua h GLU 608 Ca 0.02 -0.25 -0.11 0.00 -1.18 0.00 0.00 59.36 57.83 2bua h GLU 608 Cb 0.43 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 2bua h GLU 608 CO 0.01 0.85 -0.17 0.00 -1.18 0.00 0.00 179.01 178.52 2bua h ALA 609 N 1.19 0.83 -0.34 2.92 0.00 -1.29 -1.75 119.26 120.83 2bua h ALA 609 Ca 0.13 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 2bua h ALA 609 Cb 0.53 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2bua h ALA 609 CO 0.03 0.65 -0.22 1.15 0.00 0.00 0.00 179.25 180.86 2bua h THR 610 N 0.79 1.27 -0.84 0.00 2.02 -1.14 -1.34 112.91 113.67 2bua h THR 610 Ca 0.12 -1.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.00 2bua h THR 610 Cb 0.70 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 68.32 2bua h THR 610 CO 0.05 0.42 0.45 -0.09 0.37 0.00 0.00 175.52 176.72 2bua h ARG 611 N 0.57 1.17 -0.08 6.66 2.43 -0.81 0.52 114.38 124.85 2bua h ARG 611 Ca 0.08 -0.14 -0.15 0.00 -0.81 0.00 0.00 59.98 58.96 2bua h ARG 611 Cb 0.68 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 2bua h ARG 611 CO 0.05 0.87 -0.61 1.96 -1.51 0.00 0.00 179.97 180.73 2bua h GLN 612 N 1.17 0.27 -0.60 0.20 4.20 -0.94 -3.05 115.11 116.35 2bua h GLN 612 Ca 0.29 -0.19 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 2bua h GLN 612 Cb 0.05 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 2bua h GLN 612 CO -0.05 0.80 0.02 0.74 -0.67 0.00 0.00 178.83 179.67 2bua h PHE 613 N 0.20 1.15 0.00 2.96 0.04 -0.47 -2.75 116.94 118.06 2bua h PHE 613 Ca -0.01 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.57 2bua h PHE 613 Cb 1.13 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.98 2bua h PHE 613 CO 0.02 1.01 0.00 0.66 -0.60 0.00 0.00 178.31 179.40 2bua h SER 614 N 0.95 0.00 1.36 2.17 4.64 -0.83 -2.27 113.55 119.58 2bua h SER 614 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2bua h SER 614 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2bua h SER 614 CO 0.03 0.00 -0.38 0.11 -0.87 0.00 0.00 176.83 175.71 2bua h LYS 615 N 0.00 0.00 -6.21 4.77 1.57 -1.39 -3.44 116.57 111.88 2bua h LYS 615 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 2bua h LYS 615 Cb 0.30 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 2bua h LYS 615 CO 0.00 0.00 0.98 -1.64 -0.57 0.00 0.00 179.45 178.22 2bua s MET 616 N -3.21 4.14 0.56 3.15 -1.94 -0.85 -4.88 119.30 116.27 2bua s MET 616 Ca 0.06 1.76 0.00 0.00 -1.71 0.00 0.00 55.69 55.80 2bua s MET 616 Cb 0.10 -3.86 0.00 0.00 2.01 0.00 0.00 34.83 33.07 2bua s MET 616 CO 0.69 -0.85 0.86 0.41 -0.01 0.00 0.00 175.02 176.13 2bua n GLY 617 N 3.93 -0.43 1.01 -0.03 0.00 -1.26 -2.41 105.19 106.00 2bua n GLY 617 Ca 0.15 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.23 2bua n GLY 617 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2bua n PHE 618 N -2.21 0.84 -5.17 1.61 1.16 -1.26 -4.73 117.46 107.70 2bua n PHE 618 Ca 0.00 -0.35 -0.32 0.00 -1.87 0.00 0.00 57.45 54.92 2bua n PHE 618 Cb 0.86 -0.13 -0.16 0.00 -1.61 0.00 0.00 39.48 38.43 2bua n PHE 618 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2bua s VAL 619 N -1.66 2.29 -0.66 1.97 1.01 -1.01 -1.80 120.40 120.53 2bua s VAL 619 Ca 0.30 -0.98 -0.23 0.00 0.00 0.00 0.00 61.98 61.07 2bua s VAL 619 Cb 0.19 -1.85 0.07 0.00 0.00 0.00 0.00 36.38 34.78 2bua s VAL 619 CO 0.16 0.57 0.98 -0.62 0.00 0.00 0.00 175.10 176.19 2bua s ASP 620 N -0.17 6.18 0.57 3.32 -1.08 -0.82 -4.79 116.67 119.88 2bua s ASP 620 Ca -0.03 -0.94 0.29 0.00 -0.52 0.00 0.00 52.55 51.35 2bua s ASP 620 Cb -0.14 -2.43 1.48 0.00 -1.46 0.00 0.00 42.92 40.37 2bua s ASP 620 CO 0.04 -1.46 1.92 -2.24 0.52 0.00 0.00 175.17 173.94 2bua h ASP 621 N 9.59 0.00 0.87 -0.34 2.03 -1.90 -0.44 116.42 126.23 2bua h ASP 621 Ca -0.29 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.98 2bua h ASP 621 Cb 1.07 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.56 2bua h ASP 621 CO 1.19 0.00 -0.17 0.11 -1.03 0.00 0.00 179.24 179.34 2bua h LYS 622 N 0.00 0.00 -2.55 4.15 1.57 -1.93 -3.38 116.57 114.43 2bua h LYS 622 Ca 0.24 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.42 2bua h LYS 622 Cb 1.20 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.10 2bua h LYS 622 CO -0.00 0.17 -0.71 0.54 -0.57 0.00 0.00 179.45 178.87 2bua n ARG 623 N -3.36 1.63 -5.12 3.15 1.74 -0.17 -4.79 116.66 109.73 2bua n ARG 623 Ca -0.00 -4.17 -0.31 0.00 -0.77 0.00 0.00 57.85 52.61 2bua n ARG 623 Cb 0.38 -2.04 -0.17 0.00 -1.02 0.00 0.00 32.46 29.61 2bua n ARG 623 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2bua s ILE 624 N -1.49 1.90 0.28 0.55 1.01 -1.26 -1.78 121.20 120.41 2bua s ILE 624 Ca 0.32 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 60.09 2bua s ILE 624 Cb 0.06 -1.64 -0.06 0.00 0.01 0.00 0.00 42.46 40.83 2bua s ILE 624 CO -0.12 0.53 -0.04 0.00 0.00 0.00 0.00 174.94 175.31 2bua s ALA 625 N 0.25 2.30 -0.03 9.38 0.00 0.17 -0.48 121.76 133.34 2bua s ALA 625 Ca -0.14 -1.91 -0.03 0.00 0.00 0.00 0.00 51.96 49.88 2bua s ALA 625 Cb -0.16 0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.25 2bua s ALA 625 CO 0.07 -0.12 0.09 -1.50 0.00 0.00 0.00 175.76 174.29 2bua s ILE 626 N -3.09 -0.01 0.05 0.00 2.07 -0.97 0.05 121.20 119.30 2bua s ILE 626 Ca 0.30 0.05 -0.02 0.00 -1.41 0.00 0.00 60.65 59.57 2bua s ILE 626 Cb 0.05 -0.14 -0.03 0.00 0.13 0.00 0.00 42.46 42.47 2bua s ILE 626 CO 0.12 0.02 0.00 -1.66 -1.91 0.00 0.00 174.94 171.51 2bua s TRP 627 N 0.32 0.40 0.17 3.50 1.48 -0.60 -1.14 118.94 123.07 2bua s TRP 627 Ca -0.02 -0.86 -0.24 0.00 -1.06 0.00 0.00 56.10 53.92 2bua s TRP 627 Cb -0.03 -0.30 0.06 0.00 -1.16 0.00 0.00 33.47 32.04 2bua s TRP 627 CO -0.01 -0.36 0.79 0.20 -4.06 0.00 0.00 176.95 173.51 2bua s GLY 628 N -2.56 -0.32 -0.02 3.67 0.00 -0.86 -1.74 107.32 105.49 2bua s GLY 628 Ca 0.01 0.22 0.08 0.00 0.00 0.00 0.00 44.72 45.03 2bua s GLY 628 CO -0.08 0.07 -0.25 0.86 0.00 0.00 0.00 173.10 173.70 2bua s TRP 629 N -3.57 2.20 0.00 1.90 -0.11 -1.26 -1.37 118.94 116.74 2bua s TRP 629 Ca 0.08 -0.42 0.00 0.00 1.22 0.00 0.00 56.10 56.98 2bua s TRP 629 Cb -0.03 -1.42 0.00 0.00 -1.50 0.00 0.00 33.47 30.53 2bua s TRP 629 CO -0.02 -0.03 0.00 0.43 -4.62 0.00 0.00 176.95 172.71 2bua n SER 630 N 2.46 0.00 0.06 5.86 7.64 -0.60 0.88 113.62 129.92 2bua n SER 630 Ca -0.16 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.72 2bua n SER 630 Cb 0.52 0.00 0.30 0.00 -1.01 0.00 0.00 64.21 64.01 2bua n SER 630 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 2bua h TYR 631 N 0.00 0.40 0.00 1.43 5.03 -1.88 0.12 116.97 122.07 2bua h TYR 631 Ca 0.00 -0.06 -0.05 0.00 2.58 0.00 0.00 58.73 61.20 2bua h TYR 631 Cb 0.00 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.16 2bua h TYR 631 CO 0.00 0.52 -0.23 0.78 -1.32 0.00 0.00 178.16 177.91 2bua h GLY 632 N 0.89 0.00 1.56 1.82 0.00 0.44 -1.67 103.07 106.11 2bua h GLY 632 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.17 2bua h GLY 632 CO 0.03 0.00 -0.93 -1.33 0.00 0.00 0.00 176.54 174.31 2bua h GLY 633 N 1.40 0.45 0.85 4.60 0.00 -0.87 -0.57 103.07 108.92 2bua h GLY 633 Ca -0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 47.33 46.51 2bua h GLY 633 CO 0.03 0.69 -0.37 -1.82 0.00 0.00 0.00 176.54 175.06 2bua h TYR 634 N 0.23 -0.97 -0.30 5.60 3.20 -0.85 -1.26 116.97 122.62 2bua h TYR 634 Ca -0.08 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.83 2bua h TYR 634 Cb 1.56 0.32 -0.06 0.00 1.54 0.00 0.00 36.73 40.10 2bua h TYR 634 CO 0.06 -0.59 -0.07 0.28 -1.64 0.00 0.00 178.16 176.19 2bua h VAL 635 N -1.21 0.70 -0.66 1.81 2.07 -1.39 0.19 116.25 117.76 2bua h VAL 635 Ca -0.11 -0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.55 2bua h VAL 635 Cb 0.82 0.70 -0.10 0.00 -1.52 0.00 0.00 31.29 31.19 2bua h VAL 635 CO 0.18 0.00 0.14 0.74 0.02 0.00 0.00 177.57 178.65 2bua h THR 636 N 0.00 0.58 -0.15 2.57 2.02 -1.07 0.80 112.91 117.67 2bua h THR 636 Ca 0.14 -0.09 -0.10 0.00 0.77 0.00 0.00 66.41 67.13 2bua h THR 636 Cb 0.22 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 2bua h THR 636 CO -0.31 0.05 -0.37 0.28 0.37 0.00 0.00 175.52 175.54 2bua h SER 637 N 0.26 0.32 0.40 4.18 0.02 0.14 -1.67 113.55 117.19 2bua h SER 637 Ca 0.36 -0.13 -0.14 0.00 -0.84 0.00 0.00 61.79 61.05 2bua h SER 637 Cb 0.56 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 2bua h SER 637 CO -0.45 0.67 -0.57 0.24 -1.14 0.00 0.00 176.83 175.57 2bua h MET 638 N 0.26 0.18 0.28 3.45 2.86 0.95 -2.31 114.93 120.60 2bua h MET 638 Ca 0.03 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2bua h MET 638 Cb 0.77 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.45 2bua h MET 638 CO 0.06 0.70 -0.13 0.28 1.06 0.00 0.00 176.91 178.88 2bua h VAL 639 N 0.14 0.62 -0.31 -2.22 2.07 -0.65 -2.63 116.25 113.26 2bua h VAL 639 Ca -0.00 -0.83 0.09 0.00 0.82 0.00 0.00 66.70 66.78 2bua h VAL 639 Cb 1.05 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2bua h VAL 639 CO 0.09 0.14 0.40 -0.07 0.02 0.00 0.00 177.57 178.15 2bua h LEU 640 N -0.89 0.00 -2.52 2.57 3.38 -1.32 0.17 115.31 116.70 2bua h LEU 640 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2bua h LEU 640 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2bua h LEU 640 CO 0.06 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.20 2bua n GLY 641 N -1.43 2.12 0.12 0.83 0.00 -0.87 -4.27 105.19 101.68 2bua n GLY 641 Ca 0.05 -0.77 0.12 0.00 0.00 0.00 0.00 46.02 45.43 2bua n GLY 641 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bua h ALA 642 N 4.41 0.87 -2.46 4.61 0.00 -0.28 -3.43 119.26 122.98 2bua h ALA 642 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 2bua h ALA 642 Cb 0.98 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.77 2bua h ALA 642 CO 0.00 0.00 -0.39 0.41 0.00 0.00 0.00 179.25 179.27 2bua n GLY 643 N 1.27 -0.20 0.13 0.00 0.00 -1.26 -4.89 105.19 100.24 2bua n GLY 643 Ca 0.04 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 45.95 2bua n GLY 643 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bua h SER 644 N -0.34 0.00 0.00 1.61 4.64 -1.91 -3.46 113.55 114.09 2bua h SER 644 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2bua h SER 644 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2bua h SER 644 CO 0.40 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.97 2bua n GLY 645 N 0.71 0.55 0.14 -0.77 0.00 -1.26 -4.85 105.19 99.71 2bua n GLY 645 Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 2bua n GLY 645 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2bua h VAL 646 N 0.00 1.39 -3.15 1.61 2.07 -1.96 -3.46 116.25 112.76 2bua h VAL 646 Ca 0.00 -2.66 -0.66 0.00 0.82 0.00 0.00 66.70 64.19 2bua h VAL 646 Cb 0.01 2.70 -0.13 0.00 -1.52 0.00 0.00 31.29 32.34 2bua h VAL 646 CO 0.00 0.79 -0.58 -0.36 0.02 0.00 0.00 177.57 177.44 2bua s PHE 647 N -2.96 3.28 -0.06 1.57 0.40 -1.26 -4.62 117.98 114.33 2bua s PHE 647 Ca -0.06 0.24 -0.15 0.00 -0.60 0.00 0.00 56.93 56.35 2bua s PHE 647 Cb 0.07 -1.88 -0.30 0.00 0.51 0.00 0.00 43.02 41.42 2bua s PHE 647 CO 0.90 0.46 0.69 -0.22 0.70 0.00 0.00 175.22 177.75 2bua h LYS 648 N 5.44 0.34 -3.74 0.44 3.64 -1.09 -3.46 116.57 118.14 2bua h LYS 648 Ca -0.49 -0.58 -0.08 0.00 -1.27 0.00 0.00 60.65 58.23 2bua h LYS 648 Cb 1.20 0.22 -0.11 0.00 -0.41 0.00 0.00 32.23 33.12 2bua h LYS 648 CO 0.58 1.28 -0.21 0.00 -2.27 0.00 0.00 179.45 178.83 2bua s GLY 650 N -2.98 -0.57 -0.08 0.00 0.00 -0.56 -2.28 107.32 100.85 2bua s GLY 650 Ca 0.19 0.87 0.02 0.00 0.00 0.00 0.00 44.72 45.80 2bua s GLY 650 CO 0.03 0.46 -0.14 -0.42 0.00 0.00 0.00 173.10 173.04 2bua s ILE 651 N -2.78 1.29 -0.17 0.90 1.01 -0.30 -1.54 121.20 119.62 2bua s ILE 651 Ca -0.02 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.07 2bua s ILE 651 Cb -0.01 -1.17 0.01 0.00 0.01 0.00 0.00 42.46 41.30 2bua s ILE 651 CO -0.05 0.39 -0.17 0.00 0.00 0.00 0.00 174.94 175.11 2bua s ALA 652 N 0.71 2.41 -0.20 9.38 0.00 0.16 -2.03 121.76 132.20 2bua s ALA 652 Ca -0.13 -1.13 -0.04 0.00 0.00 0.00 0.00 51.96 50.65 2bua s ALA 652 Cb -0.16 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 2bua s ALA 652 CO 0.03 -0.19 -0.03 0.08 0.00 0.00 0.00 175.76 175.65 2bua s VAL 653 N 1.06 3.63 -1.33 0.00 1.01 -0.47 -1.02 120.40 123.28 2bua s VAL 653 Ca -0.01 -0.42 -0.18 0.00 0.00 0.00 0.00 61.98 61.37 2bua s VAL 653 Cb -0.14 -2.63 0.02 0.00 0.00 0.00 0.00 36.38 33.62 2bua s VAL 653 CO -0.05 0.44 0.46 0.00 0.00 0.00 0.00 175.10 175.95 2bua n ALA 654 N 4.33 -2.34 -2.13 5.51 0.00 0.60 -1.55 120.51 124.93 2bua n ALA 654 Ca -0.18 -0.44 -0.29 0.00 0.00 0.00 0.00 53.44 52.53 2bua n ALA 654 Cb 0.52 -2.14 -0.01 0.00 0.00 0.00 0.00 19.45 17.82 2bua n ALA 654 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2bua s PRO 655 N -7.09 3.63 0.22 0.00 0.04 -1.26 -3.00 135.00 127.54 2bua s PRO 655 Ca 0.28 0.44 -0.21 0.00 0.04 0.00 0.00 61.00 61.55 2bua s PRO 655 Cb -0.14 -2.29 -0.08 0.00 0.04 0.00 0.00 34.50 32.03 2bua s PRO 655 CO 0.95 -0.27 0.75 0.08 0.04 0.00 0.00 177.00 178.55 2bua s VAL 656 N -2.77 4.52 0.00 -0.36 1.01 -1.23 -4.59 120.40 116.98 2bua s VAL 656 Ca 0.51 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.86 2bua s VAL 656 Cb -0.10 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2bua s VAL 656 CO 0.44 0.25 0.00 -1.54 0.00 0.00 0.00 175.10 174.24 2bua n SER 657 N 0.83 4.31 -3.67 3.32 3.41 -1.26 -4.21 113.62 116.35 2bua n SER 657 Ca -0.03 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.47 2bua n SER 657 Cb 0.51 0.63 -0.12 0.00 -0.26 0.00 0.00 64.21 64.97 2bua n SER 657 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2bua s LYS 658 N -1.80 0.22 0.63 4.33 2.20 -1.26 -0.60 119.74 123.47 2bua s LYS 658 Ca 0.00 0.85 0.36 0.00 -0.36 0.00 0.00 55.97 56.82 2bua s LYS 658 Cb 0.00 0.10 2.06 0.00 -1.51 0.00 0.00 37.83 38.48 2bua s LYS 658 CO 0.00 -0.26 2.26 -1.49 -0.36 0.00 0.00 175.35 175.50 2bua h TRP 659 N 8.15 0.00 0.00 4.03 4.06 -1.89 -0.77 115.95 129.53 2bua h TRP 659 Ca -0.17 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.78 2bua h TRP 659 Cb 1.12 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.28 2bua h TRP 659 CO 0.33 0.00 0.00 0.39 -3.56 0.00 0.00 178.44 175.60 2bua n GLU 660 N -3.42 0.01 0.07 0.49 1.02 -1.26 -2.36 120.64 115.19 2bua n GLU 660 Ca -0.02 0.20 0.11 0.00 -0.02 0.00 0.00 57.16 57.43 2bua n GLU 660 Cb 0.14 -1.51 -0.00 0.00 -0.02 0.00 0.00 31.44 30.05 2bua n GLU 660 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2bua n TYR 661 N -1.52 0.70 -2.19 -0.32 4.01 -0.29 -3.92 117.16 113.62 2bua n TYR 661 Ca 0.04 0.20 -0.27 0.00 -0.16 0.00 0.00 57.90 57.72 2bua n TYR 661 Cb 0.21 -0.79 0.06 0.00 -0.31 0.00 0.00 39.34 38.51 2bua n TYR 661 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 2bua s TYR 662 N -3.34 3.04 0.64 -0.72 5.04 -0.99 -4.84 117.35 116.17 2bua s TYR 662 Ca -0.00 0.57 -0.17 0.00 -2.44 0.00 0.00 57.07 55.03 2bua s TYR 662 Cb 0.11 -3.10 -0.01 0.00 0.35 0.00 0.00 41.96 39.32 2bua s TYR 662 CO 0.80 -1.28 1.17 0.16 -1.34 0.00 0.00 175.55 175.06 2bua s ASP 663 N -4.46 4.99 0.15 4.32 1.47 -1.26 -1.07 116.67 120.82 2bua s ASP 663 Ca 0.59 2.24 -0.16 0.00 1.18 0.00 0.00 52.55 56.39 2bua s ASP 663 Cb -0.11 -2.58 0.04 0.00 -0.34 0.00 0.00 42.92 39.93 2bua s ASP 663 CO 0.46 -1.72 1.79 0.77 0.68 0.00 0.00 175.17 177.14 2bua h SER 664 N 0.38 0.32 0.12 2.11 4.64 -0.95 -2.36 113.55 117.80 2bua h SER 664 Ca -0.49 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2bua h SER 664 Cb 1.28 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 2bua h SER 664 CO 0.54 0.23 -0.11 0.58 -0.87 0.00 0.00 176.83 177.19 2bua h VAL 665 N 0.42 0.74 -0.04 0.95 2.07 -1.93 -1.19 116.25 117.26 2bua h VAL 665 Ca 0.15 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.65 2bua h VAL 665 Cb 0.04 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2bua h VAL 665 CO -0.09 0.00 -0.06 0.22 0.02 0.00 0.00 177.57 177.66 2bua h TYR 666 N -0.26 0.15 0.41 1.57 5.03 -1.93 -2.98 116.97 118.95 2bua h TYR 666 Ca 0.00 -0.05 -0.02 0.00 2.58 0.00 0.00 58.73 61.24 2bua h TYR 666 Cb 0.24 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.50 2bua h TYR 666 CO -0.12 0.62 -0.19 1.15 -1.32 0.00 0.00 178.16 178.30 2bua h THR 667 N -0.37 0.60 0.00 1.81 2.02 -1.45 -3.01 112.91 112.50 2bua h THR 667 Ca 0.00 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 2bua h THR 667 Cb 0.61 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2bua h THR 667 CO 0.01 0.03 -0.03 -0.33 0.37 0.00 0.00 175.52 175.57 2bua h GLU 668 N -0.63 0.00 -0.76 6.66 5.08 -1.35 0.57 114.58 124.16 2bua h GLU 668 Ca -0.06 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.41 2bua h GLU 668 Cb 0.46 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 2bua h GLU 668 CO 0.09 0.03 0.50 -0.09 -1.00 0.00 0.00 179.01 178.54 2bua h ARG 669 N 0.00 0.60 0.00 2.33 2.43 -1.38 -0.86 114.38 117.50 2bua h ARG 669 Ca -0.00 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 2bua h ARG 669 Cb 0.06 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 2bua h ARG 669 CO 0.00 0.40 -1.69 0.66 -1.51 0.00 0.00 179.97 177.83 2bua n TYR 670 N -4.50 0.00 0.40 2.20 4.01 -0.89 -4.63 117.16 113.75 2bua n TYR 670 Ca 0.13 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.91 2bua n TYR 670 Cb 0.38 -0.40 -0.02 0.00 -0.31 0.00 0.00 39.34 38.98 2bua n TYR 670 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2bua n MET 671 N -2.12 3.19 0.00 -0.72 2.81 0.14 0.12 117.12 120.54 2bua n MET 671 Ca -0.08 -0.28 0.00 0.00 -1.81 0.00 0.00 57.70 55.53 2bua n MET 671 Cb 0.53 -0.97 0.00 0.00 -0.71 0.00 0.00 33.22 32.06 2bua n MET 671 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2bua n GLY 672 N 1.02 -1.12 3.82 3.03 0.00 -0.34 -4.57 105.19 107.03 2bua n GLY 672 Ca 0.03 -1.18 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 2bua n GLY 672 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bua s LEU 673 N 0.00 4.44 -0.18 0.99 1.43 -1.26 -4.41 118.68 119.68 2bua s LEU 673 Ca 0.00 1.28 -0.06 0.00 -1.03 0.00 0.00 54.13 54.32 2bua s LEU 673 Cb 0.00 -3.19 -0.24 0.00 0.03 0.00 0.00 46.19 42.79 2bua s LEU 673 CO 0.00 0.17 3.54 -0.81 0.23 0.00 0.00 176.35 179.47 2bua n PRO 674 N 1.24 2.19 -4.28 1.29 -0.04 -1.26 -1.49 135.00 132.65 2bua n PRO 674 Ca -0.07 -1.17 -0.29 0.00 -0.04 0.00 0.00 63.50 61.94 2bua n PRO 674 Cb 0.51 -2.09 -0.10 0.00 -0.04 0.00 0.00 33.50 31.78 2bua n PRO 674 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2bua s THR 675 N 1.02 3.09 0.59 0.52 -4.23 -1.26 -4.59 115.64 110.78 2bua s THR 675 Ca 0.67 -1.50 0.36 0.00 -1.18 0.00 0.00 61.69 60.04 2bua s THR 675 Cb 0.31 -2.46 0.36 0.00 1.34 0.00 0.00 72.50 72.04 2bua s THR 675 CO -0.01 0.03 2.10 1.55 -0.54 0.00 0.00 174.62 177.75 2bua h PRO 676 N 3.43 0.00 0.00 3.99 0.13 -1.97 0.11 132.00 137.69 2bua h PRO 676 Ca -0.49 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.48 2bua h PRO 676 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2bua h PRO 676 CO 0.50 0.00 -0.78 0.93 -0.23 0.00 0.00 178.00 178.42 2bua h GLU 677 N 0.00 0.00 0.00 0.86 3.07 -1.94 -3.45 114.58 113.11 2bua h GLU 677 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2bua h GLU 677 Cb 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 2bua h GLU 677 CO 0.00 0.78 0.00 -3.47 -1.40 0.00 0.00 179.01 174.92 2bua n ASP 678 N -3.32 0.00 -0.35 1.42 -0.08 0.35 -5.01 116.55 109.55 2bua n ASP 678 Ca 0.01 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.37 2bua n ASP 678 Cb 0.84 0.00 0.17 0.00 2.34 0.00 0.00 41.12 44.47 2bua n ASP 678 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2bua n ASN 679 N 0.00 2.30 -0.29 1.67 4.05 -0.55 -4.81 115.26 117.62 2bua n ASN 679 Ca 0.00 -3.35 0.12 0.00 0.45 0.00 0.00 54.58 51.80 2bua n ASN 679 Cb 0.00 -0.48 0.29 0.00 1.23 0.00 0.00 39.78 40.82 2bua n ASN 679 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 2bua h LEU 680 N 0.49 0.15 -0.72 1.20 5.85 -1.60 -1.60 115.31 119.07 2bua h LEU 680 Ca 0.01 0.17 0.10 0.00 0.84 0.00 0.00 57.88 59.01 2bua h LEU 680 Cb 1.07 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 42.23 2bua h LEU 680 CO 0.04 -0.08 0.34 0.44 -0.34 0.00 0.00 178.44 178.85 2bua h ASP 681 N 0.30 0.42 1.20 1.25 3.32 -1.87 -0.02 116.42 121.02 2bua h ASP 681 Ca 0.54 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.66 2bua h ASP 681 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 2bua h ASP 681 CO -0.58 0.23 -0.00 -1.22 -1.72 0.00 0.00 179.24 175.94 2bua n TYR 682 N -4.89 0.40 0.02 4.55 4.02 -0.63 -2.40 117.16 118.23 2bua n TYR 682 Ca 0.12 0.12 -0.18 0.00 -0.01 0.00 0.00 57.90 57.94 2bua n TYR 682 Cb 0.31 -0.69 -0.14 0.00 -0.02 0.00 0.00 39.34 38.80 2bua n TYR 682 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 2bua h TYR 683 N 0.00 0.47 -0.48 -0.72 0.05 -0.78 -3.27 116.97 112.23 2bua h TYR 683 Ca 0.00 -0.32 -0.11 0.00 0.05 0.00 0.00 58.73 58.35 2bua h TYR 683 Cb 0.60 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.30 2bua h TYR 683 CO 0.00 1.22 -0.14 0.00 -1.05 0.00 0.00 178.16 178.18 2bua h ARG 684 N -0.41 0.92 -0.60 4.88 3.08 -0.99 -3.14 114.38 118.13 2bua h ARG 684 Ca -0.10 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2bua h ARG 684 Cb 1.46 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.45 2bua h ARG 684 CO 0.12 1.00 0.00 0.27 -1.07 0.00 0.00 179.97 180.29 2bua n ASN 685 N -4.14 3.21 -0.25 7.04 6.94 -1.01 -3.86 115.26 123.20 2bua n ASN 685 Ca 0.01 -2.28 0.02 0.00 -0.02 0.00 0.00 54.58 52.32 2bua n ASN 685 Cb 0.41 -0.46 0.06 0.00 -2.36 0.00 0.00 39.78 37.43 2bua n ASN 685 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2bua n SER 686 N 0.65 2.20 -4.82 0.53 3.41 -1.19 -5.02 113.62 109.39 2bua n SER 686 Ca 0.17 -1.85 -0.33 0.00 -0.26 0.00 0.00 58.87 56.59 2bua n SER 686 Cb 0.61 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 2bua n SER 686 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2bua s THR 687 N -0.89 4.14 0.20 6.66 -4.23 -1.25 -4.85 115.64 115.41 2bua s THR 687 Ca 0.09 1.09 -0.01 0.00 -1.18 0.00 0.00 61.69 61.68 2bua s THR 687 Cb 0.05 -3.54 -0.07 0.00 1.34 0.00 0.00 72.50 70.28 2bua s THR 687 CO 0.06 -0.52 1.50 0.58 -0.54 0.00 0.00 174.62 175.70 2bua h VAL 688 N 0.91 1.35 -0.90 2.29 2.07 -1.20 -3.23 116.25 117.54 2bua h VAL 688 Ca -0.47 -1.94 0.15 0.00 0.82 0.00 0.00 66.70 65.25 2bua h VAL 688 Cb 1.20 1.93 -0.09 0.00 -1.52 0.00 0.00 31.29 32.81 2bua h VAL 688 CO 0.60 0.59 0.50 0.24 0.02 0.00 0.00 177.57 179.52 2bua h MET 689 N 0.32 0.70 0.00 1.57 2.86 -1.93 -0.63 114.93 117.83 2bua h MET 689 Ca -0.01 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2bua h MET 689 Cb 1.16 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.66 2bua h MET 689 CO 0.11 0.46 0.00 -1.13 1.06 0.00 0.00 176.91 177.41 2bua n SER 690 N -4.80 0.14 -0.61 1.22 3.41 -1.22 -1.18 113.62 110.56 2bua n SER 690 Ca 0.18 0.56 0.08 0.00 -0.26 0.00 0.00 58.87 59.43 2bua n SER 690 Cb 0.44 -0.58 0.19 0.00 -0.26 0.00 0.00 64.21 64.00 2bua n SER 690 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2bua n ARG 691 N -1.68 2.61 -0.20 4.33 1.74 -0.24 -4.79 116.66 118.43 2bua n ARG 691 Ca -0.00 -2.52 0.01 0.00 -0.77 0.00 0.00 57.85 54.57 2bua n ARG 691 Cb 0.02 -1.59 0.11 0.00 -1.02 0.00 0.00 32.46 29.98 2bua n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bua h ALA 692 N 1.36 0.70 -0.92 7.54 0.00 -1.20 -2.57 119.26 124.16 2bua h ALA 692 Ca 0.00 0.14 0.18 0.00 0.00 0.00 0.00 54.91 55.24 2bua h ALA 692 Cb 1.13 0.21 -0.11 0.00 0.00 0.00 0.00 17.79 19.02 2bua h ALA 692 CO 0.12 -0.33 0.50 1.49 0.00 0.00 0.00 179.25 181.03 2bua h GLU 693 N 0.23 0.61 0.00 0.00 4.57 -1.86 -1.21 114.58 116.91 2bua h GLU 693 Ca 0.32 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.46 2bua h GLU 693 Cb 0.49 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2bua h GLU 693 CO -0.43 0.40 0.00 -0.91 -1.18 0.00 0.00 179.01 176.89 2bua h ASN 694 N 0.62 0.00 0.56 1.04 -0.26 -1.73 -2.72 115.58 113.09 2bua h ASN 694 Ca 0.54 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.28 2bua h ASN 694 Cb 0.86 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.12 2bua h ASN 694 CO -0.41 0.00 0.00 0.49 -1.06 0.00 0.00 177.43 176.45 2bua n PHE 695 N -2.77 0.56 0.31 1.19 3.01 -0.46 -2.21 117.46 117.09 2bua n PHE 695 Ca -0.01 0.23 0.20 0.00 1.01 0.00 0.00 57.45 58.88 2bua n PHE 695 Cb 0.14 -0.87 1.03 0.00 -0.01 0.00 0.00 39.48 39.77 2bua n PHE 695 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 2bua h LYS 696 N 0.00 0.00 -0.01 -1.08 1.57 -1.67 -1.71 116.57 113.67 2bua h LYS 696 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2bua h LYS 696 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2bua h LYS 696 CO 0.00 0.00 -0.05 1.04 -0.57 0.00 0.00 179.45 179.87 2bua n GLN 697 N -2.97 1.54 -4.19 3.15 6.02 -0.94 -4.96 117.38 115.04 2bua n GLN 697 Ca -0.02 -0.92 -0.11 0.00 -0.01 0.00 0.00 57.00 55.94 2bua n GLN 697 Cb 0.12 -1.48 -0.10 0.00 1.02 0.00 0.00 30.24 29.80 2bua n GLN 697 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2bua s VAL 698 N -2.09 0.06 -0.29 5.09 -7.23 -0.64 -4.94 120.40 110.36 2bua s VAL 698 Ca 0.35 -1.97 -0.13 0.00 -1.81 0.00 0.00 61.98 58.42 2bua s VAL 698 Cb 0.21 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 2bua s VAL 698 CO 0.37 -0.18 0.29 -1.61 -0.31 0.00 0.00 175.10 173.66 2bua s GLU 699 N -4.11 3.88 -0.07 4.82 2.02 -0.85 -4.98 118.70 119.41 2bua s GLU 699 Ca 0.33 -0.23 0.04 0.00 0.02 0.00 0.00 54.97 55.14 2bua s GLU 699 Cb 0.07 -3.69 -0.02 0.00 0.10 0.00 0.00 34.13 30.59 2bua s GLU 699 CO 0.08 -0.29 -0.19 -0.47 0.02 0.00 0.00 175.26 174.42 2bua s TYR 700 N 1.91 2.61 -0.23 1.61 5.04 -1.26 -1.49 117.35 125.55 2bua s TYR 700 Ca 0.11 -0.52 0.02 0.00 -2.44 0.00 0.00 57.07 54.24 2bua s TYR 700 Cb -0.16 -1.67 0.05 0.00 0.35 0.00 0.00 41.96 40.53 2bua s TYR 700 CO 0.11 -0.08 -0.14 -1.17 -1.34 0.00 0.00 175.55 172.93 2bua s LEU 701 N -0.23 2.85 -0.23 6.97 0.20 -0.59 -0.84 118.68 126.81 2bua s LEU 701 Ca -0.00 -1.09 -0.07 0.00 0.69 0.00 0.00 54.13 53.65 2bua s LEU 701 Cb -0.13 -1.47 -0.03 0.00 -0.43 0.00 0.00 46.19 44.12 2bua s LEU 701 CO 0.03 -0.13 0.07 -0.22 -0.29 0.00 0.00 176.35 175.81 2bua s LEU 702 N 1.21 3.54 0.02 -0.68 0.20 -0.82 -0.67 118.68 121.49 2bua s LEU 702 Ca -0.03 -0.13 0.07 0.00 0.69 0.00 0.00 54.13 54.73 2bua s LEU 702 Cb -0.17 -1.94 -0.02 0.00 -0.43 0.00 0.00 46.19 43.63 2bua s LEU 702 CO -0.08 0.02 -0.20 -0.63 -0.29 0.00 0.00 176.35 175.18 2bua s ILE 703 N 1.27 1.58 -0.27 6.68 1.01 -0.19 -1.46 121.20 129.82 2bua s ILE 703 Ca 0.05 -1.07 -0.24 0.00 0.00 0.00 0.00 60.65 59.39 2bua s ILE 703 Cb -0.15 -1.36 0.08 0.00 0.01 0.00 0.00 42.46 41.05 2bua s ILE 703 CO 0.04 0.26 0.76 -2.28 0.00 0.00 0.00 174.94 173.71 2bua s HIS 704 N -0.70 -0.77 0.00 3.97 2.46 -0.98 -0.29 115.29 118.99 2bua s HIS 704 Ca 0.07 1.84 -0.28 0.00 0.47 0.00 0.00 55.06 57.16 2bua s HIS 704 Cb -0.08 0.32 -0.04 0.00 -0.13 0.00 0.00 32.58 32.64 2bua s HIS 704 CO 0.01 -0.37 0.89 0.20 -2.47 0.00 0.00 174.74 173.00 2bua s GLY 705 N 0.48 2.84 0.35 1.59 0.00 -1.26 -1.69 107.32 109.64 2bua s GLY 705 Ca -0.01 0.42 0.27 0.00 0.00 0.00 0.00 44.72 45.40 2bua s GLY 705 CO -0.02 1.48 1.80 -0.91 0.00 0.00 0.00 173.10 175.45 2bua h THR 706 N 4.61 0.00 -0.53 0.90 1.35 -1.52 -2.64 112.91 115.08 2bua h THR 706 Ca -0.42 -0.24 -0.17 0.00 -0.55 0.00 0.00 66.41 65.04 2bua h THR 706 Cb 1.21 1.00 -0.10 0.00 -1.73 0.00 0.00 68.15 68.52 2bua h THR 706 CO 0.74 0.00 0.14 0.00 -0.25 0.00 0.00 175.52 176.15 2bua n ALA 707 N -1.86 4.16 -2.09 6.62 0.00 -0.88 -4.76 120.51 121.71 2bua n ALA 707 Ca 0.01 -2.58 -0.43 0.00 0.00 0.00 0.00 53.44 50.44 2bua n ALA 707 Cb 0.20 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 2bua n ALA 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2bua s ASP 708 N -1.68 6.17 0.26 0.00 -1.08 -1.00 -4.32 116.67 115.03 2bua s ASP 708 Ca 0.49 1.41 0.24 0.00 -0.52 0.00 0.00 52.55 54.17 2bua s ASP 708 Cb 0.41 -2.53 0.36 0.00 -1.46 0.00 0.00 42.92 39.70 2bua s ASP 708 CO 0.09 -1.46 1.45 -2.24 0.52 0.00 0.00 175.17 173.52 2bua h ASP 709 N 11.61 0.00 0.00 -0.34 2.03 -1.92 -3.34 116.42 124.47 2bua h ASP 709 Ca -0.33 -0.05 0.00 0.00 -0.73 0.00 0.00 57.03 55.92 2bua h ASP 709 Cb 1.15 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.65 2bua h ASP 709 CO 1.02 0.02 0.00 -3.20 -1.03 0.00 0.00 179.24 176.06 2bua n ASN 710 N -2.60 0.00 -4.33 4.15 2.85 -1.26 -4.69 115.26 109.37 2bua n ASN 710 Ca 0.03 0.17 -0.46 0.00 -0.11 0.00 0.00 54.58 54.21 2bua n ASN 710 Cb 0.49 -0.37 -0.03 0.00 1.24 0.00 0.00 39.78 41.11 2bua n ASN 710 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2bua s VAL 711 N -0.74 5.40 0.43 3.44 1.01 -1.26 -4.83 120.40 123.85 2bua s VAL 711 Ca 0.00 -2.02 -0.24 0.00 0.00 0.00 0.00 61.98 59.73 2bua s VAL 711 Cb 0.00 -4.43 -0.10 0.00 0.00 0.00 0.00 36.38 31.84 2bua s VAL 711 CO 0.00 -0.99 0.94 1.41 0.00 0.00 0.00 175.10 176.46 2bua n HIS 712 N 4.64 0.92 -0.06 5.22 8.25 -1.25 -4.74 115.22 128.20 2bua n HIS 712 Ca 0.03 0.56 0.24 0.00 -0.26 0.00 0.00 57.72 58.28 2bua n HIS 712 Cb 0.44 -2.19 0.72 0.00 1.12 0.00 0.00 29.99 30.08 2bua n HIS 712 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 2bua h PHE 713 N 1.36 0.00 -0.80 4.41 3.57 -1.80 -0.49 116.94 123.18 2bua h PHE 713 Ca -0.44 0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.25 2bua h PHE 713 Cb 1.35 0.00 -0.14 0.00 2.79 0.00 0.00 35.95 39.95 2bua h PHE 713 CO 0.42 0.00 0.01 0.37 -2.23 0.00 0.00 178.31 176.88 2bua h GLN 714 N 0.00 0.09 -0.46 1.11 4.15 -1.94 0.09 115.11 118.15 2bua h GLN 714 Ca 0.31 -0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.82 2bua h GLN 714 Cb 1.32 -0.02 -0.09 0.00 0.21 0.00 0.00 27.48 28.89 2bua h GLN 714 CO -0.00 0.06 -0.17 1.96 -1.93 0.00 0.00 178.83 178.75 2bua h GLN 715 N 0.09 -0.06 -0.00 1.69 4.20 -1.41 0.28 115.11 119.89 2bua h GLN 715 Ca 0.45 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.99 2bua h GLN 715 Cb 0.81 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.59 2bua h GLN 715 CO -0.71 -0.04 -0.80 0.77 -0.67 0.00 0.00 178.83 177.37 2bua h SER 716 N -0.07 0.03 -0.47 1.46 0.02 -1.36 -2.13 113.55 111.04 2bua h SER 716 Ca 0.22 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 2bua h SER 716 Cb 0.41 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 2bua h SER 716 CO -0.51 0.82 0.08 0.00 -1.14 0.00 0.00 176.83 176.08 2bua h ALA 717 N 1.18 0.62 -0.28 3.77 0.00 -0.16 0.05 119.26 124.44 2bua h ALA 717 Ca -0.01 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 2bua h ALA 717 Cb 1.41 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2bua h ALA 717 CO 0.11 0.34 -0.38 1.96 0.00 0.00 0.00 179.25 181.28 2bua h GLN 718 N 0.64 0.64 -0.14 0.00 1.08 -0.48 -2.37 115.11 114.49 2bua h GLN 718 Ca 0.14 -0.32 -0.02 0.00 -1.45 0.00 0.00 58.65 57.00 2bua h GLN 718 Cb 0.38 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.81 2bua h GLN 718 CO 0.01 0.92 -0.01 1.25 -0.95 0.00 0.00 178.83 180.05 2bua h LEU 719 N 0.53 0.25 -1.14 1.46 5.85 -1.12 -2.63 115.31 118.52 2bua h LEU 719 Ca 0.05 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 2bua h LEU 719 Cb 0.90 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 2bua h LEU 719 CO 0.08 0.52 0.17 0.77 -0.34 0.00 0.00 178.44 179.64 2bua h SER 720 N -0.03 0.72 -0.11 1.25 4.64 -1.00 -1.96 113.55 117.06 2bua h SER 720 Ca 0.04 -0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 61.20 2bua h SER 720 Cb 0.39 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 2bua h SER 720 CO 0.01 0.68 -0.08 0.50 -0.87 0.00 0.00 176.83 177.07 2bua h LYS 721 N 0.76 0.40 -0.04 4.77 3.64 -1.34 0.19 116.57 124.94 2bua h LYS 721 Ca 0.18 -0.09 -0.16 0.00 -1.27 0.00 0.00 60.65 59.31 2bua h LYS 721 Cb 0.21 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2bua h LYS 721 CO -0.01 0.49 -0.67 0.00 -2.27 0.00 0.00 179.45 176.99 2bua h ALA 722 N 1.54 0.78 -0.19 5.00 0.00 -1.00 -1.25 119.26 124.14 2bua h ALA 722 Ca 0.08 -0.59 -0.19 0.00 0.00 0.00 0.00 54.91 54.20 2bua h ALA 722 Cb 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2bua h ALA 722 CO 0.02 0.78 -0.65 -0.07 0.00 0.00 0.00 179.25 179.33 2bua h LEU 723 N 0.14 0.82 -0.59 0.00 3.38 -0.70 -2.08 115.31 116.29 2bua h LEU 723 Ca -0.01 -0.48 -0.07 0.00 0.09 0.00 0.00 57.88 57.40 2bua h LEU 723 Cb 1.21 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2bua h LEU 723 CO 0.10 1.26 0.09 0.58 0.09 0.00 0.00 178.44 180.55 2bua h VAL 724 N 0.52 1.26 0.00 1.22 2.07 -0.88 -0.99 116.25 119.45 2bua h VAL 724 Ca -0.02 -1.00 -0.05 0.00 0.82 0.00 0.00 66.70 66.45 2bua h VAL 724 Cb 1.25 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 2bua h VAL 724 CO 0.13 0.37 -0.24 0.44 0.02 0.00 0.00 177.57 178.29 2bua h ASP 725 N 0.88 0.00 0.29 0.57 3.32 -1.16 -2.42 116.42 117.89 2bua h ASP 725 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2bua h ASP 725 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2bua h ASP 725 CO 0.01 0.24 -0.19 0.00 -1.72 0.00 0.00 179.24 177.58 2bua n ALA 726 N -2.32 2.93 -1.62 3.45 0.00 -0.79 -4.94 120.51 117.22 2bua n ALA 726 Ca -0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 53.44 53.05 2bua n ALA 726 Cb 0.35 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 2bua n ALA 726 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bua n GLY 727 N 1.31 0.41 3.75 0.00 0.00 -0.88 -4.94 105.19 104.85 2bua n GLY 727 Ca 0.13 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.94 2bua n GLY 727 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bua s VAL 728 N -2.14 5.17 -0.00 1.61 1.01 -0.43 -5.04 120.40 120.58 2bua s VAL 728 Ca 0.00 0.83 -0.16 0.00 0.00 0.00 0.00 61.98 62.65 2bua s VAL 728 Cb 0.00 -3.75 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 2bua s VAL 728 CO 0.00 0.41 0.43 -0.62 0.00 0.00 0.00 175.10 175.32 2bua s ASP 729 N 0.12 6.83 0.23 3.32 2.15 -1.26 -4.50 116.67 123.55 2bua s ASP 729 Ca 0.23 0.98 -0.20 0.00 0.43 0.00 0.00 52.55 53.99 2bua s ASP 729 Cb -0.15 -2.27 0.03 0.00 -0.30 0.00 0.00 42.92 40.24 2bua s ASP 729 CO 0.10 0.29 0.64 0.72 -0.17 0.00 0.00 175.17 176.75 2bua s PHE 730 N -0.92 -0.24 0.18 -5.34 -0.71 -1.26 -4.73 117.98 104.96 2bua s PHE 730 Ca 0.24 -0.13 0.04 0.00 -1.04 0.00 0.00 56.93 56.04 2bua s PHE 730 Cb -0.17 0.58 -0.03 0.00 -1.21 0.00 0.00 43.02 42.19 2bua s PHE 730 CO 0.14 -1.07 0.27 -0.65 -1.34 0.00 0.00 175.22 172.57 2bua s GLN 731 N -3.87 3.31 0.07 1.99 -0.21 -0.02 -5.02 119.66 115.90 2bua s GLN 731 Ca 0.09 -0.71 0.00 0.00 0.02 0.00 0.00 55.36 54.76 2bua s GLN 731 Cb -0.03 -2.87 -0.04 0.00 1.00 0.00 0.00 33.01 31.07 2bua s GLN 731 CO 0.00 0.49 -0.05 0.99 -2.12 0.00 0.00 175.29 174.60 2bua s THR 732 N -1.82 0.44 -0.30 -0.19 2.01 -1.26 -1.94 115.64 112.57 2bua s THR 732 Ca 0.34 -1.84 -0.03 0.00 0.31 0.00 0.00 61.69 60.48 2bua s THR 732 Cb -0.10 -1.55 0.19 0.00 0.01 0.00 0.00 72.50 71.04 2bua s THR 732 CO 0.27 -0.92 0.69 -0.32 -0.69 0.00 0.00 174.62 173.66 2bua s MET 733 N -3.79 0.49 0.15 4.92 0.00 -0.53 -4.91 119.30 115.63 2bua s MET 733 Ca 0.08 0.80 -0.02 0.00 0.00 0.00 0.00 55.69 56.56 2bua s MET 733 Cb 0.06 0.44 -0.05 0.00 0.00 0.00 0.00 34.83 35.28 2bua s MET 733 CO -0.07 -0.59 0.34 1.67 0.00 0.00 0.00 175.02 176.37 2bua s TRP 734 N 2.88 3.49 -0.30 4.11 -2.14 -1.26 -2.31 118.94 123.40 2bua s TRP 734 Ca 0.16 0.37 0.02 0.00 2.66 0.00 0.00 56.10 59.31 2bua s TRP 734 Cb -0.13 -1.87 0.09 0.00 -3.10 0.00 0.00 33.47 28.46 2bua s TRP 734 CO -0.20 0.45 0.03 0.71 -2.66 0.00 0.00 176.95 175.27 2bua s TYR 735 N -1.73 2.78 0.02 1.66 2.02 -0.68 -4.94 117.35 116.48 2bua s TYR 735 Ca 0.38 -2.27 -0.35 0.00 -0.37 0.00 0.00 57.07 54.47 2bua s TYR 735 Cb -0.12 -2.16 -0.14 0.00 -0.40 0.00 0.00 41.96 39.15 2bua s TYR 735 CO 0.27 -0.88 1.67 2.41 -1.57 0.00 0.00 175.55 177.46 2bua n THR 736 N 4.55 0.24 -1.14 -0.71 -1.04 -1.26 -2.24 114.28 112.67 2bua n THR 736 Ca -0.03 -0.04 -0.05 0.00 -2.04 0.00 0.00 64.05 61.89 2bua n THR 736 Cb 0.43 -1.53 -0.02 0.00 -1.82 0.00 0.00 70.33 67.39 2bua n THR 736 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2bua n ASP 737 N 4.64 -5.60 -4.81 8.00 8.00 -1.26 -4.90 116.55 120.61 2bua n ASP 737 Ca 0.20 0.12 -0.39 0.00 0.71 0.00 0.00 54.79 55.44 2bua n ASP 737 Cb 0.26 -3.54 -0.06 0.00 -0.02 0.00 0.00 41.12 37.76 2bua n ASP 737 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2bua s GLU 738 N -2.28 4.24 0.00 -1.24 0.41 -0.99 -4.71 118.70 114.12 2bua s GLU 738 Ca 0.00 0.79 0.00 0.00 -0.41 0.00 0.00 54.97 55.35 2bua s GLU 738 Cb 0.00 -3.22 0.00 0.00 -1.78 0.00 0.00 34.13 29.13 2bua s GLU 738 CO 0.00 0.62 0.00 -0.40 -0.49 0.00 0.00 175.26 174.99 2bua n ASP 739 N 1.63 0.00 -0.13 -0.19 5.68 -1.26 -2.06 116.55 120.22 2bua n ASP 739 Ca -0.09 -0.00 0.15 0.00 -0.50 0.00 0.00 54.79 54.34 2bua n ASP 739 Cb 0.50 0.00 0.52 0.00 -1.14 0.00 0.00 41.12 41.00 2bua n ASP 739 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 2bua h HIS 740 N -0.00 0.44 0.00 2.11 -0.00 -1.91 -2.17 115.15 113.61 2bua h HIS 740 Ca 0.00 0.01 -0.16 0.00 -0.00 0.00 0.00 60.37 60.22 2bua h HIS 740 Cb 0.00 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.25 2bua h HIS 740 CO 0.00 0.18 -0.77 0.78 -0.00 0.00 0.00 177.93 178.12 2bua h GLY 741 N 0.39 0.00 -6.19 5.26 0.00 -1.98 -3.47 103.07 97.07 2bua h GLY 741 Ca 0.33 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 47.23 2bua h GLY 741 CO -0.10 0.00 -0.85 1.39 0.00 0.00 0.00 176.54 176.99 2bua n ILE 742 N -3.46 -4.17 -0.12 2.60 5.41 -0.82 -4.91 119.36 113.89 2bua n ILE 742 Ca -0.00 -0.51 0.08 0.00 1.00 0.00 0.00 62.75 63.32 2bua n ILE 742 Cb 0.79 -3.53 0.20 0.00 -0.71 0.00 0.00 39.64 36.39 2bua n ILE 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2bua n ALA 743 N -4.30 2.29 -1.69 -1.39 0.00 -1.26 -3.94 120.51 110.23 2bua n ALA 743 Ca -0.30 -1.12 -0.35 0.00 0.00 0.00 0.00 53.44 51.66 2bua n ALA 743 Cb 0.68 -0.63 0.03 0.00 0.00 0.00 0.00 19.45 19.54 2bua n ALA 743 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2bua s SER 744 N -1.05 5.20 0.21 0.00 1.04 -1.26 -4.74 113.70 113.09 2bua s SER 744 Ca 0.32 2.30 -0.11 0.00 0.48 0.00 0.00 55.95 58.94 2bua s SER 744 Cb 0.17 -2.59 0.29 0.00 0.10 0.00 0.00 66.02 63.99 2bua s SER 744 CO 0.23 -1.58 1.68 0.78 0.98 0.00 0.00 173.24 175.32 2bua h ASN 745 N 0.75 -0.19 0.15 7.02 -0.26 -1.99 0.11 115.58 121.17 2bua h ASN 745 Ca -0.50 0.14 -0.18 0.00 -0.56 0.00 0.00 56.30 55.20 2bua h ASN 745 Cb 1.28 0.23 -0.00 0.00 -1.06 0.00 0.00 38.32 38.77 2bua h ASN 745 CO 0.55 -0.08 -0.68 0.24 -1.06 0.00 0.00 177.43 176.40 2bua h MET 746 N 0.15 0.48 -0.29 0.81 2.86 -1.99 -2.64 114.93 114.32 2bua h MET 746 Ca 0.31 -0.37 -0.16 0.00 -2.06 0.00 0.00 59.70 57.43 2bua h MET 746 Cb 0.50 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.23 2bua h MET 746 CO -0.48 0.99 -0.45 0.00 1.06 0.00 0.00 176.91 178.03 2bua h ALA 747 N 0.91 0.44 -0.07 6.32 0.00 -1.80 -1.87 119.26 123.20 2bua h ALA 747 Ca -0.02 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 54.45 2bua h ALA 747 Cb 1.25 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 2bua h ALA 747 CO 0.12 0.59 -0.18 1.25 0.00 0.00 0.00 179.25 181.03 2bua h HIS 748 N 0.58 -0.48 -0.76 0.00 6.17 -0.80 0.23 115.15 120.09 2bua h HIS 748 Ca 0.03 0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.08 2bua h HIS 748 Cb 1.05 0.22 -0.03 0.00 2.52 0.00 0.00 27.41 31.17 2bua h HIS 748 CO 0.07 -0.26 0.30 1.96 0.71 0.00 0.00 177.93 180.71 2bua h GLN 749 N -0.26 1.13 -0.32 5.26 4.20 -1.47 -3.04 115.11 120.60 2bua h GLN 749 Ca 0.08 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.52 2bua h GLN 749 Cb 0.37 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2bua h GLN 749 CO -0.22 0.92 -0.07 1.25 -0.67 0.00 0.00 178.83 180.03 2bua h HIS 750 N 1.10 0.69 -0.47 2.96 2.76 -0.76 -2.06 115.15 119.36 2bua h HIS 750 Ca 0.25 -0.15 -0.05 0.00 -2.20 0.00 0.00 60.37 58.23 2bua h HIS 750 Cb 0.21 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 2bua h HIS 750 CO 0.02 0.79 0.11 0.97 -1.30 0.00 0.00 177.93 178.52 2bua h ILE 751 N 0.39 1.24 0.00 6.26 2.10 -0.97 -0.01 117.51 126.52 2bua h ILE 751 Ca 0.08 -0.84 -0.11 0.00 1.08 0.00 0.00 64.86 65.08 2bua h ILE 751 Cb 0.56 0.88 -0.02 0.00 -1.09 0.00 0.00 36.82 37.16 2bua h ILE 751 CO 0.03 0.30 -0.51 1.88 -1.08 0.00 0.00 178.15 178.77 2bua h TYR 752 N 0.64 0.00 -0.27 2.19 0.05 -1.57 -0.51 116.97 117.50 2bua h TYR 752 Ca 0.15 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.80 2bua h TYR 752 Cb 0.33 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.07 2bua h TYR 752 CO 0.02 0.51 -0.33 1.15 -1.05 0.00 0.00 178.16 178.46 2bua h THR 753 N 0.00 1.30 -0.43 -2.88 2.02 -1.12 -2.36 112.91 109.45 2bua h THR 753 Ca -0.01 -1.51 -0.05 0.00 0.77 0.00 0.00 66.41 65.61 2bua h THR 753 Cb 0.95 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.98 2bua h THR 753 CO 0.07 0.48 0.07 -0.74 0.37 0.00 0.00 175.52 175.77 2bua h HIS 754 N 0.44 0.76 -0.01 3.16 -0.00 -0.69 -2.65 115.15 116.16 2bua h HIS 754 Ca 0.04 -0.11 -0.09 0.00 -0.00 0.00 0.00 60.37 60.21 2bua h HIS 754 Cb 0.91 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 28.10 2bua h HIS 754 CO 0.08 0.73 -0.40 0.52 -0.00 0.00 0.00 177.93 178.85 2bua h MET 755 N 0.57 0.03 -0.54 5.26 2.07 -1.13 -2.30 114.93 118.90 2bua h MET 755 Ca 0.13 -0.01 -0.10 0.00 -2.07 0.00 0.00 59.70 57.65 2bua h MET 755 Cb 0.38 -0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.09 2bua h MET 755 CO 0.01 0.43 -0.05 0.77 1.07 0.00 0.00 176.91 179.14 2bua h SER 756 N 0.03 0.97 -0.37 1.22 0.02 -1.20 -0.11 113.55 114.11 2bua h SER 756 Ca -0.00 -0.33 -0.06 0.00 -0.84 0.00 0.00 61.79 60.56 2bua h SER 756 Cb 0.73 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 2bua h SER 756 CO 0.05 1.07 0.00 0.45 -1.14 0.00 0.00 176.83 177.26 2bua h HIS 757 N 0.85 0.72 0.02 3.45 3.86 -1.24 -0.61 115.15 122.21 2bua h HIS 757 Ca 0.15 -0.12 0.01 0.00 -1.16 0.00 0.00 60.37 59.24 2bua h HIS 757 Cb 0.60 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 2bua h HIS 757 CO 0.04 0.75 -0.06 0.35 0.86 0.00 0.00 177.93 179.88 2bua h PHE 758 N 0.48 -0.14 -0.27 2.45 3.57 -1.29 0.11 116.94 121.84 2bua h PHE 758 Ca 0.11 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.63 2bua h PHE 758 Cb 0.46 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 2bua h PHE 758 CO 0.04 -0.09 0.12 -0.07 -2.23 0.00 0.00 178.31 176.08 2bua h LEU 759 N -0.11 0.17 -1.32 0.59 3.38 -0.91 -1.34 115.31 115.77 2bua h LEU 759 Ca 0.02 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2bua h LEU 759 Cb 0.13 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2bua h LEU 759 CO -0.05 0.13 -0.17 0.11 0.09 0.00 0.00 178.44 178.56 2bua h LYS 760 N 0.27 0.25 -0.22 1.13 1.57 -0.92 -0.21 116.57 118.43 2bua h LYS 760 Ca 0.12 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2bua h LYS 760 Cb 0.05 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2bua h LYS 760 CO -0.09 0.42 0.03 1.96 -0.57 0.00 0.00 179.45 181.20 2bua h GLN 761 N 0.23 0.37 -0.35 3.15 1.08 -0.49 0.12 115.11 119.21 2bua h GLN 761 Ca 0.04 -0.10 -0.06 0.00 -1.45 0.00 0.00 58.65 57.08 2bua h GLN 761 Cb 0.45 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 2bua h GLN 761 CO 0.03 0.52 -0.05 0.00 -0.95 0.00 0.00 178.83 178.37 2bua n PHE 763 N -4.23 0.20 -3.12 0.00 3.72 -0.13 -4.93 117.46 108.96 2bua n PHE 763 Ca 0.01 -0.10 -0.23 0.00 -0.05 0.00 0.00 57.45 57.09 2bua n PHE 763 Cb 0.29 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.86 2bua n PHE 763 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2bua n SER 764 N 0.50 -5.70 -4.78 4.37 7.64 -0.45 -4.98 113.62 110.23 2bua n SER 764 Ca 0.17 -0.32 -0.37 0.00 1.01 0.00 0.00 58.87 59.36 2bua n SER 764 Cb 0.38 -4.61 -0.07 0.00 -1.01 0.00 0.00 64.21 58.91 2bua n SER 764 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2bua s LEU 765 N -6.69 4.33 0.00 -3.43 1.43 0.29 -5.03 118.68 109.57 2bua s LEU 765 Ca 0.34 0.66 0.23 0.00 -1.03 0.00 0.00 54.13 54.33 2bua s LEU 765 Cb -0.16 -2.43 1.38 0.00 0.03 0.00 0.00 46.19 45.02 2bua s LEU 765 CO 0.42 0.19 1.75 -0.81 0.23 0.00 0.00 176.35 178.13