#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ml0 s ASN 2 N 0.00 4.36 -0.12 6.43 4.22 -0.94 -3.09 114.94 125.80 3ml0 s ASN 2 Ca 0.00 -0.24 -0.08 0.00 -2.14 0.00 0.00 52.86 50.40 3ml0 s ASN 2 Cb 0.00 -0.92 0.04 0.00 1.28 0.00 0.00 41.25 41.65 3ml0 s ASN 2 CO 0.00 0.27 0.30 -0.22 -2.04 0.00 0.00 177.10 175.41 3ml0 s LEU 3 N -1.47 0.48 -0.08 3.54 0.20 -0.51 0.13 118.68 120.97 3ml0 s LEU 3 Ca 0.17 0.63 -0.01 0.00 0.69 0.00 0.00 54.13 55.61 3ml0 s LEU 3 Cb -0.11 0.98 0.03 0.00 -0.43 0.00 0.00 46.19 46.66 3ml0 s LEU 3 CO 0.07 -0.15 -0.01 -1.66 -0.29 0.00 0.00 176.35 174.32 3ml0 s TRP 4 N 0.86 0.75 -0.01 5.38 -2.14 -0.85 -1.46 118.94 121.46 3ml0 s TRP 4 Ca -0.06 -0.22 -0.01 0.00 2.66 0.00 0.00 56.10 58.47 3ml0 s TRP 4 Cb -0.07 -0.84 -0.04 0.00 -3.10 0.00 0.00 33.47 29.42 3ml0 s TRP 4 CO -0.06 -0.35 0.11 -1.12 -2.66 0.00 0.00 176.95 172.87 3ml0 s SER 5 N 1.95 5.89 -0.02 -2.66 0.01 -0.43 -2.75 113.70 115.69 3ml0 s SER 5 Ca 0.05 0.22 0.05 0.00 1.31 0.00 0.00 55.95 57.58 3ml0 s SER 5 Cb -0.12 -1.75 -0.01 0.00 0.21 0.00 0.00 66.02 64.35 3ml0 s SER 5 CO -0.06 0.28 -0.18 0.42 0.41 0.00 0.00 173.24 174.12 3ml0 s THR 6 N -1.21 1.43 0.03 1.44 -4.23 -0.14 -2.46 115.64 110.50 3ml0 s THR 6 Ca 0.23 -0.77 -0.15 0.00 -1.18 0.00 0.00 61.69 59.82 3ml0 s THR 6 Cb -0.12 -1.20 -0.06 0.00 1.34 0.00 0.00 72.50 72.46 3ml0 s THR 6 CO 0.14 0.41 0.45 -0.60 -0.54 0.00 0.00 174.62 174.48 3ml0 s ARG 7 N -0.35 3.97 0.64 3.99 3.52 -0.84 -2.95 118.95 126.93 3ml0 s ARG 7 Ca 0.05 0.47 0.25 0.00 -0.13 0.00 0.00 55.73 56.37 3ml0 s ARG 7 Cb -0.08 -3.18 1.28 0.00 -1.56 0.00 0.00 34.95 31.41 3ml0 s ARG 7 CO -0.00 0.65 1.72 -1.00 -0.81 0.00 0.00 175.30 175.87 3ml0 h PRO 8 N 4.50 0.00 0.00 5.12 0.13 -1.78 0.20 132.00 140.16 3ml0 h PRO 8 Ca -0.51 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 3ml0 h PRO 8 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 3ml0 h PRO 8 CO 0.63 0.00 -0.13 1.05 -0.23 0.00 0.00 178.00 179.32 3ml0 h GLU 9 N 0.00 0.00 -0.02 0.86 4.11 -1.93 -2.84 114.58 114.75 3ml0 h GLU 9 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 3ml0 h GLU 9 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3ml0 h GLU 9 CO -0.00 0.13 -0.02 0.54 0.07 0.00 0.00 179.01 179.72 3ml0 n ARG 10 N -3.28 1.80 -4.36 1.06 5.12 0.68 -4.95 116.66 112.73 3ml0 n ARG 10 Ca 0.00 -1.67 -0.35 0.00 -1.93 0.00 0.00 57.85 53.91 3ml0 n ARG 10 Cb 0.37 -1.39 -0.09 0.00 -1.16 0.00 0.00 32.46 30.19 3ml0 n ARG 10 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3ml0 s VAL 11 N -1.72 4.33 0.07 1.55 1.01 -1.07 -1.76 120.40 122.80 3ml0 s VAL 11 Ca 0.23 -0.26 -0.32 0.00 0.00 0.00 0.00 61.98 61.64 3ml0 s VAL 11 Cb 0.17 -2.83 -0.19 0.00 0.00 0.00 0.00 36.38 33.54 3ml0 s VAL 11 CO 0.27 0.59 1.62 1.56 0.00 0.00 0.00 175.10 179.14 3ml0 h GLN 12 N 5.10 -0.80 0.00 2.72 4.20 -1.65 -2.90 115.11 121.78 3ml0 h GLN 12 Ca -0.51 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.26 3ml0 h GLN 12 Cb 1.19 0.18 0.00 0.00 0.30 0.00 0.00 27.48 29.15 3ml0 h GLN 12 CO 0.55 -0.53 0.00 -0.85 -0.67 0.00 0.00 178.83 177.32 3ml0 n GLU 13 N -5.44 0.11 -2.22 1.46 0.00 -1.26 -4.94 120.64 108.35 3ml0 n GLU 13 Ca -0.13 0.06 -0.05 0.00 0.00 0.00 0.00 57.16 57.04 3ml0 n GLU 13 Cb 0.34 -1.50 0.02 0.00 0.00 0.00 0.00 31.44 30.31 3ml0 n GLU 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3ml0 n GLY 14 N 1.06 0.26 3.07 -1.84 0.00 -1.10 -4.96 105.19 101.68 3ml0 n GLY 14 Ca 0.08 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 3ml0 n GLY 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ml0 s SER 15 N -3.26 1.47 -0.27 1.61 1.04 -1.26 -4.84 113.70 108.20 3ml0 s SER 15 Ca 0.07 -0.23 -0.29 0.00 0.48 0.00 0.00 55.95 55.98 3ml0 s SER 15 Cb -0.01 -0.25 -0.01 0.00 0.10 0.00 0.00 66.02 65.85 3ml0 s SER 15 CO 0.22 0.13 1.39 -0.89 0.98 0.00 0.00 173.24 175.07 3ml0 s THR 16 N -0.13 4.02 -0.19 2.02 2.01 -1.20 -4.27 115.64 117.90 3ml0 s THR 16 Ca 0.02 1.15 -0.01 0.00 0.31 0.00 0.00 61.69 63.17 3ml0 s THR 16 Cb -0.06 -4.01 0.01 0.00 0.01 0.00 0.00 72.50 68.44 3ml0 s THR 16 CO 0.00 -0.40 -0.14 -0.69 -0.69 0.00 0.00 174.62 172.70 3ml0 s VAL 17 N 4.55 2.56 -0.22 3.82 1.01 -1.15 -0.88 120.40 130.09 3ml0 s VAL 17 Ca 0.61 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 3ml0 s VAL 17 Cb -0.19 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.10 3ml0 s VAL 17 CO 0.24 0.50 -0.12 -0.22 0.00 0.00 0.00 175.10 175.50 3ml0 s LEU 18 N 1.29 2.73 -0.15 3.92 0.20 -0.75 -0.97 118.68 124.95 3ml0 s LEU 18 Ca 0.04 -0.74 0.00 0.00 0.69 0.00 0.00 54.13 54.12 3ml0 s LEU 18 Cb -0.14 -1.59 -0.00 0.00 -0.43 0.00 0.00 46.19 44.03 3ml0 s LEU 18 CO -0.08 -0.06 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.13 3ml0 s ILE 19 N 1.32 2.68 -0.01 6.68 1.01 -1.11 -1.43 121.20 130.33 3ml0 s ILE 19 Ca 0.02 -0.77 0.07 0.00 0.00 0.00 0.00 60.65 59.97 3ml0 s ILE 19 Cb -0.15 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.18 3ml0 s ILE 19 CO -0.08 0.52 -0.22 0.21 0.00 0.00 0.00 174.94 175.37 3ml0 s ASN 20 N 0.72 2.63 -0.45 3.58 2.47 -0.63 -2.01 114.94 121.25 3ml0 s ASN 20 Ca -0.07 -0.42 0.06 0.00 0.42 0.00 0.00 52.86 52.86 3ml0 s ASN 20 Cb -0.16 -0.29 0.22 0.00 -1.45 0.00 0.00 41.25 39.58 3ml0 s ASN 20 CO 0.01 0.27 0.49 0.61 -3.72 0.00 0.00 177.10 174.76 3ml0 n GLY 21 N 2.46 2.96 3.67 1.21 0.00 0.12 -2.00 105.19 113.62 3ml0 n GLY 21 Ca -0.16 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 3ml0 n GLY 21 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ml0 s PRO 22 N -0.99 4.26 -0.32 1.61 0.04 -1.24 -2.22 135.00 136.15 3ml0 s PRO 22 Ca 0.34 1.86 -0.06 0.00 0.04 0.00 0.00 61.00 63.18 3ml0 s PRO 22 Cb 0.11 -3.70 0.03 0.00 0.04 0.00 0.00 34.50 30.98 3ml0 s PRO 22 CO -0.13 -0.64 0.08 1.14 0.04 0.00 0.00 177.00 177.49 3ml0 s GLN 23 N 2.99 2.79 0.00 4.56 -2.07 -1.26 -0.32 119.66 126.35 3ml0 s GLN 23 Ca 0.61 -1.06 0.10 0.00 -1.82 0.00 0.00 55.36 53.20 3ml0 s GLN 23 Cb -0.27 -3.39 0.01 0.00 -1.09 0.00 0.00 33.01 28.26 3ml0 s GLN 23 CO 0.22 -0.57 0.66 1.19 -1.32 0.00 0.00 175.29 175.48 3ml0 n PHE 24 N 4.81 0.00 0.00 9.60 3.72 -1.26 -4.54 117.46 129.80 3ml0 n PHE 24 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 3ml0 n PHE 24 Cb 0.46 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 3ml0 n PHE 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ml0 n GLY 25 N 0.88 2.73 3.61 1.37 0.00 -1.26 -4.80 105.19 107.72 3ml0 n GLY 25 Ca 0.04 -1.77 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 3ml0 n GLY 25 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ml0 s TRP 26 N -2.15 3.25 0.11 1.61 0.51 -1.26 -4.81 118.94 116.20 3ml0 s TRP 26 Ca 0.00 0.30 0.04 0.00 -2.12 0.00 0.00 56.10 54.31 3ml0 s TRP 26 Cb 0.00 -2.46 -0.04 0.00 -0.81 0.00 0.00 33.47 30.16 3ml0 s TRP 26 CO 0.00 -0.16 -0.10 0.71 -0.51 0.00 0.00 176.95 176.90 3ml0 s TYR 27 N 1.79 1.07 -0.16 -1.98 2.02 -1.26 -2.31 117.35 116.52 3ml0 s TYR 27 Ca 0.11 -0.71 0.02 0.00 -0.37 0.00 0.00 57.07 56.12 3ml0 s TYR 27 Cb -0.16 -0.58 0.01 0.00 -0.40 0.00 0.00 41.96 40.84 3ml0 s TYR 27 CO 0.10 -0.01 -0.21 1.21 -1.57 0.00 0.00 175.55 175.07 3ml0 s ASN 28 N -2.68 3.16 1.04 2.29 2.47 -0.81 -3.52 114.94 116.90 3ml0 s ASN 28 Ca 0.09 -0.61 -0.15 0.00 0.42 0.00 0.00 52.86 52.60 3ml0 s ASN 28 Cb -0.01 -1.47 0.21 0.00 -1.45 0.00 0.00 41.25 38.53 3ml0 s ASN 28 CO -0.01 0.05 1.16 -2.84 -3.72 0.00 0.00 177.10 171.74 3ml0 s PRO 29 N 1.02 0.10 0.27 0.43 0.02 -1.26 -4.34 135.00 131.25 3ml0 s PRO 29 Ca -0.02 0.06 -0.28 0.00 0.02 0.00 0.00 61.00 60.78 3ml0 s PRO 29 Cb -0.14 -1.74 -0.15 0.00 0.02 0.00 0.00 34.50 32.49 3ml0 s PRO 29 CO -0.07 -2.85 0.95 0.00 -0.33 0.00 0.00 177.00 174.70 3ml0 n ALA 30 N -4.18 -0.63 -0.00 -1.55 0.00 -1.23 -4.91 120.51 108.02 3ml0 n ALA 30 Ca 0.10 0.40 -0.06 0.00 0.00 0.00 0.00 53.44 53.88 3ml0 n ALA 30 Cb 0.59 -1.96 0.13 0.00 0.00 0.00 0.00 19.45 18.21 3ml0 n ALA 30 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3ml0 h TYR 31 N 1.93 0.64 -2.95 0.00 3.20 -1.82 -3.45 116.97 114.53 3ml0 h TYR 31 Ca -0.38 -0.17 -0.64 0.00 3.14 0.00 0.00 58.73 60.68 3ml0 h TYR 31 Cb 1.35 -0.14 -0.07 0.00 1.54 0.00 0.00 36.73 39.42 3ml0 h TYR 31 CO 0.47 0.83 -0.53 0.95 -1.64 0.00 0.00 178.16 178.24 3ml0 s THR 32 N -4.32 5.13 -0.12 1.81 -4.23 -1.26 0.39 115.64 113.05 3ml0 s THR 32 Ca -0.07 -0.34 0.03 0.00 -1.18 0.00 0.00 61.69 60.13 3ml0 s THR 32 Cb 0.13 -3.41 0.01 0.00 1.34 0.00 0.00 72.50 70.56 3ml0 s THR 32 CO 0.82 0.28 -0.20 -0.47 -0.54 0.00 0.00 174.62 174.50 3ml0 s TYR 33 N -1.33 2.40 0.08 3.99 5.04 0.13 -4.91 117.35 122.75 3ml0 s TYR 33 Ca 0.28 -1.13 -0.27 0.00 -2.44 0.00 0.00 57.07 53.51 3ml0 s TYR 33 Cb -0.12 -1.65 -0.06 0.00 0.35 0.00 0.00 41.96 40.48 3ml0 s TYR 33 CO 0.19 -0.52 0.83 0.20 -1.34 0.00 0.00 175.55 174.92 3ml0 s GLY 34 N 0.74 2.87 -0.08 8.97 0.00 -1.26 -1.04 107.32 117.53 3ml0 s GLY 34 Ca -0.10 0.38 -0.15 0.00 0.00 0.00 0.00 44.72 44.85 3ml0 s GLY 34 CO 0.01 1.19 0.37 -1.50 0.00 0.00 0.00 173.10 173.17 3ml0 s ILE 35 N -0.13 0.03 -0.27 0.90 1.10 0.60 -4.97 121.20 118.46 3ml0 s ILE 35 Ca 0.41 -0.21 0.02 0.00 -0.51 0.00 0.00 60.65 60.36 3ml0 s ILE 35 Cb -0.22 -0.60 0.07 0.00 0.15 0.00 0.00 42.46 41.86 3ml0 s ILE 35 CO 0.25 -0.12 -0.05 -0.83 -2.11 0.00 0.00 174.94 172.08 3ml0 s GLY 36 N -0.57 1.57 -0.23 1.50 0.00 -1.26 -2.15 107.32 106.19 3ml0 s GLY 36 Ca -0.07 -1.78 -0.13 0.00 0.00 0.00 0.00 44.72 42.74 3ml0 s GLY 36 CO 0.03 0.81 0.26 1.08 0.00 0.00 0.00 173.10 175.28 3ml0 s LEU 37 N 1.17 4.13 -0.05 0.66 1.43 -0.78 -4.98 118.68 120.26 3ml0 s LEU 37 Ca -0.03 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 3ml0 s LEU 37 Cb -0.19 -2.27 0.01 0.00 0.03 0.00 0.00 46.19 43.77 3ml0 s LEU 37 CO -0.07 0.00 -0.09 -1.00 0.23 0.00 0.00 176.35 175.42 3ml0 s HIS 38 N 1.20 1.11 0.00 0.29 3.76 -1.26 -1.05 115.29 119.34 3ml0 s HIS 38 Ca 0.12 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.67 3ml0 s HIS 38 Cb -0.14 -0.85 0.00 0.00 1.11 0.00 0.00 32.58 32.70 3ml0 s HIS 38 CO 0.06 -0.20 0.00 0.41 -0.85 0.00 0.00 174.74 174.16 3ml0 n GLY 39 N 3.76 1.73 3.17 -2.22 0.00 0.10 -4.96 105.19 106.77 3ml0 n GLY 39 Ca -0.23 -2.04 -0.23 0.00 0.00 0.00 0.00 46.02 43.52 3ml0 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ml0 n ALA 40 N 1.08 -1.02 0.00 4.61 0.00 -1.26 -1.55 120.51 122.37 3ml0 n ALA 40 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3ml0 n ALA 40 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 19.45 15.99 3ml0 n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ml0 n GLY 41 N -1.39 2.88 3.79 0.00 0.00 -1.26 -5.04 105.19 104.17 3ml0 n GLY 41 Ca -0.07 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 3ml0 n GLY 41 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ml0 s PHE 42 N -2.27 3.82 -0.42 1.61 0.08 -0.60 -4.89 117.98 115.31 3ml0 s PHE 42 Ca 0.00 1.57 0.09 0.00 0.12 0.00 0.00 56.93 58.70 3ml0 s PHE 42 Cb 0.00 -2.73 0.32 0.00 -0.57 0.00 0.00 43.02 40.04 3ml0 s PHE 42 CO 0.00 0.45 0.90 -3.47 -0.10 0.00 0.00 175.22 173.00 3ml0 n ASP 43 N 1.27 -0.93 -4.69 1.36 4.64 -1.23 0.00 116.55 116.97 3ml0 n ASP 43 Ca -0.04 -3.33 -0.23 0.00 -1.38 0.00 0.00 54.79 49.81 3ml0 n ASP 43 Cb 0.49 0.72 -0.06 0.00 -1.04 0.00 0.00 41.12 41.23 3ml0 n ASP 43 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3ml0 s VAL 44 N -0.89 3.70 -0.14 5.18 -7.23 -0.22 -4.43 120.40 116.37 3ml0 s VAL 44 Ca 0.31 -1.78 -0.09 0.00 -1.81 0.00 0.00 61.98 58.60 3ml0 s VAL 44 Cb 0.30 -2.99 0.05 0.00 0.56 0.00 0.00 36.38 34.30 3ml0 s VAL 44 CO -0.08 -0.37 0.34 0.54 -0.31 0.00 0.00 175.10 175.22 3ml0 s VAL 45 N -2.28 -0.02 -5.00 1.32 0.11 -0.29 -1.87 120.40 112.37 3ml0 s VAL 45 Ca 0.32 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.44 3ml0 s VAL 45 Cb -0.07 -0.50 0.00 0.00 -1.53 0.00 0.00 36.38 34.28 3ml0 s VAL 45 CO 0.21 0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.62 3ml0 n GLY 46 N 3.73 -0.30 3.05 6.54 0.00 -0.91 -1.20 105.19 116.09 3ml0 n GLY 46 Ca -0.20 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 3ml0 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ml0 s ASN 47 N -4.00 0.50 0.01 1.61 2.20 -0.30 -0.29 114.94 114.66 3ml0 s ASN 47 Ca 0.00 -0.72 0.00 0.00 -0.94 0.00 0.00 52.86 51.21 3ml0 s ASN 47 Cb 0.00 0.12 -0.01 0.00 -2.00 0.00 0.00 41.25 39.37 3ml0 s ASN 47 CO 0.00 -0.40 -0.02 0.28 -2.94 0.00 0.00 177.10 174.02 3ml0 s THR 48 N -2.45 0.14 0.78 0.54 -1.32 -0.20 -2.62 115.64 110.52 3ml0 s THR 48 Ca -0.05 -0.27 -0.14 0.00 -1.21 0.00 0.00 61.69 60.02 3ml0 s THR 48 Cb -0.03 -0.16 0.07 0.00 -1.51 0.00 0.00 72.50 70.87 3ml0 s THR 48 CO -0.04 -0.08 1.22 -2.16 -2.21 0.00 0.00 174.62 171.35 3ml0 s PRO 49 N -0.37 1.77 2.25 7.08 0.04 -1.26 0.20 135.00 144.71 3ml0 s PRO 49 Ca -0.03 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.81 3ml0 s PRO 49 Cb -0.03 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.73 3ml0 s PRO 49 CO -0.00 -2.12 0.00 1.19 0.04 0.00 0.00 177.00 176.10 3ml0 n PHE 50 N -3.09 0.00 -3.49 0.56 3.72 0.16 -3.73 117.46 111.59 3ml0 n PHE 50 Ca 0.14 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.26 3ml0 n PHE 50 Cb 0.50 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.93 3ml0 n PHE 50 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ml0 s ALA 51 N -1.29 1.43 -0.07 4.37 0.00 -1.26 -4.07 121.76 120.87 3ml0 s ALA 51 Ca 0.00 -2.31 -0.03 0.00 0.00 0.00 0.00 51.96 49.62 3ml0 s ALA 51 Cb 0.00 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 3ml0 s ALA 51 CO 0.00 -2.05 0.08 0.71 0.00 0.00 0.00 175.76 174.51 3ml0 s TYR 52 N 0.42 3.37 0.56 0.00 2.02 -1.24 -4.99 117.35 117.48 3ml0 s TYR 52 Ca 0.25 0.32 0.40 0.00 -0.37 0.00 0.00 57.07 57.66 3ml0 s TYR 52 Cb -0.11 -1.83 2.16 0.00 -0.40 0.00 0.00 41.96 41.78 3ml0 s TYR 52 CO -0.09 0.59 2.22 -1.35 -1.57 0.00 0.00 175.55 175.35 3ml0 h PRO 53 N 4.71 0.00 -6.98 -1.71 0.11 -1.99 -3.43 132.00 122.71 3ml0 h PRO 53 Ca -0.52 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.14 3ml0 h PRO 53 Cb 1.20 0.00 0.05 0.00 0.11 0.00 0.00 31.00 32.36 3ml0 h PRO 53 CO 0.59 0.00 0.06 0.96 -0.21 0.00 0.00 178.00 179.40 3ml0 s ILE 54 N -4.06 3.13 -0.22 4.15 -4.36 -1.26 -5.07 121.20 113.52 3ml0 s ILE 54 Ca -0.04 -0.37 0.02 0.00 -0.26 0.00 0.00 60.65 59.99 3ml0 s ILE 54 Cb 0.11 -3.22 0.04 0.00 1.25 0.00 0.00 42.46 40.64 3ml0 s ILE 54 CO 0.36 -0.19 -0.12 0.68 0.24 0.00 0.00 174.94 175.91 3ml0 s VAL 55 N -2.88 1.89 0.07 8.37 -7.23 -1.26 -4.82 120.40 114.54 3ml0 s VAL 55 Ca 0.55 -1.21 -0.10 0.00 -1.81 0.00 0.00 61.98 59.41 3ml0 s VAL 55 Cb -0.10 -1.93 -0.27 0.00 0.56 0.00 0.00 36.38 34.63 3ml0 s VAL 55 CO 0.41 0.16 1.15 -0.07 -0.31 0.00 0.00 175.10 176.44 3ml0 h LEU 56 N 7.90 0.71 -7.48 1.32 4.07 -1.94 -3.44 115.31 116.46 3ml0 h LEU 56 Ca -0.28 -0.67 -0.55 0.00 0.08 0.00 0.00 57.88 56.46 3ml0 h LEU 56 Cb 1.09 -0.23 -0.39 0.00 1.08 0.00 0.00 40.66 42.21 3ml0 h LEU 56 CO 0.50 1.49 -0.78 -0.36 -1.08 0.00 0.00 178.44 178.21 3ml0 s PHE 57 N -2.95 1.57 -2.44 1.13 0.08 -1.08 -4.35 117.98 109.95 3ml0 s PHE 57 Ca -0.07 -1.12 0.00 0.00 0.12 0.00 0.00 56.93 55.85 3ml0 s PHE 57 Cb 0.06 -1.25 0.00 0.00 -0.57 0.00 0.00 43.02 41.27 3ml0 s PHE 57 CO 0.91 -0.64 0.00 0.41 -0.10 0.00 0.00 175.22 175.80 3ml0 n GLY 58 N 4.90 -1.00 3.14 4.36 0.00 -1.19 -1.15 105.19 114.25 3ml0 n GLY 58 Ca -0.11 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 3ml0 n GLY 58 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ml0 s THR 59 N -3.00 0.13 -0.23 2.61 -1.32 -0.34 -1.93 115.64 111.57 3ml0 s THR 59 Ca 0.00 -1.11 0.13 0.00 -1.21 0.00 0.00 61.69 59.51 3ml0 s THR 59 Cb 0.00 -0.99 0.51 0.00 -1.51 0.00 0.00 72.50 70.51 3ml0 s THR 59 CO 0.00 -0.61 1.43 -0.46 -2.21 0.00 0.00 174.62 172.77 3ml0 n ASN 60 N 0.61 3.20 0.00 8.08 6.94 -0.96 -1.13 115.26 132.00 3ml0 n ASN 60 Ca -0.18 -3.35 0.00 0.00 -0.02 0.00 0.00 54.58 51.03 3ml0 n ASN 60 Cb 0.59 -0.58 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 3ml0 n ASN 60 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 3ml0 n SER 61 N -0.84 0.00 -0.07 0.53 7.64 -1.26 -4.66 113.62 114.95 3ml0 n SER 61 Ca 0.27 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.99 3ml0 n SER 61 Cb 0.95 -0.38 -0.05 0.00 -1.01 0.00 0.00 64.21 63.71 3ml0 n SER 61 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3ml0 n GLU 62 N -1.93 0.32 -3.94 1.43 -0.58 -1.26 -4.93 120.64 109.75 3ml0 n GLU 62 Ca 0.00 0.14 -0.11 0.00 -0.42 0.00 0.00 57.16 56.77 3ml0 n GLU 62 Cb 0.00 -1.05 -0.13 0.00 -0.57 0.00 0.00 31.44 29.70 3ml0 n GLU 62 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 3ml0 s ILE 63 N -2.27 0.09 0.45 -3.67 -5.25 -1.26 -2.61 121.20 106.68 3ml0 s ILE 63 Ca -0.21 -0.47 0.08 0.00 -0.99 0.00 0.00 60.65 59.07 3ml0 s ILE 63 Cb 0.08 -0.16 0.03 0.00 2.95 0.00 0.00 42.46 45.35 3ml0 s ILE 63 CO 0.27 -0.24 0.62 0.00 -1.79 0.00 0.00 174.94 173.80 3ml0 s ALA 64 N -0.72 4.56 -0.25 2.27 0.00 0.44 -2.27 121.76 125.78 3ml0 s ALA 64 Ca -0.08 -1.76 -0.23 0.00 0.00 0.00 0.00 51.96 49.89 3ml0 s ALA 64 Cb -0.05 -1.60 0.06 0.00 0.00 0.00 0.00 23.12 21.53 3ml0 s ALA 64 CO -0.00 -0.41 0.67 1.67 0.00 0.00 0.00 175.76 177.68 3ml0 s TRP 65 N -2.42 -0.73 0.00 0.00 -2.14 -0.81 -3.45 118.94 109.38 3ml0 s TRP 65 Ca 0.56 1.78 0.00 0.00 2.66 0.00 0.00 56.10 61.11 3ml0 s TRP 65 Cb -0.09 0.25 0.00 0.00 -3.10 0.00 0.00 33.47 30.53 3ml0 s TRP 65 CO 0.34 -0.35 0.00 0.41 -2.66 0.00 0.00 176.95 174.69 3ml0 n GLY 66 N 2.71 5.45 3.57 3.67 0.00 -1.24 -3.17 105.19 116.19 3ml0 n GLY 66 Ca -0.14 -2.09 -0.08 0.00 0.00 0.00 0.00 46.02 43.71 3ml0 n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ml0 s ALA 67 N -2.00 -1.95 0.04 4.61 0.00 -1.26 -3.96 121.76 117.24 3ml0 s ALA 67 Ca 0.00 1.50 0.01 0.00 0.00 0.00 0.00 51.96 53.47 3ml0 s ALA 67 Cb 0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 23.12 22.67 3ml0 s ALA 67 CO 0.00 -0.43 0.04 0.25 0.00 0.00 0.00 175.76 175.62 3ml0 n THR 68 N 0.35 0.00 -2.72 0.00 -2.24 -1.21 -4.70 114.28 103.76 3ml0 n THR 68 Ca -0.07 -0.31 -0.39 0.00 -2.27 0.00 0.00 64.05 61.01 3ml0 n THR 68 Cb 0.59 0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.92 3ml0 n THR 68 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ml0 s ALA 69 N -2.12 3.29 0.04 6.98 0.00 -1.26 -4.01 121.76 124.68 3ml0 s ALA 69 Ca 0.05 0.62 -0.30 0.00 0.00 0.00 0.00 51.96 52.33 3ml0 s ALA 69 Cb 0.00 -3.22 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 3ml0 s ALA 69 CO 0.04 0.14 1.62 0.20 0.00 0.00 0.00 175.76 177.75 3ml0 s GLY 70 N -1.32 1.60 -0.12 0.00 0.00 -1.25 -4.56 107.32 101.66 3ml0 s GLY 70 Ca 0.45 1.12 0.16 0.00 0.00 0.00 0.00 44.72 46.46 3ml0 s GLY 70 CO 0.30 2.86 1.55 -1.55 0.00 0.00 0.00 173.10 176.26 3ml0 n PRO 71 N 5.82 3.57 -4.41 2.90 -0.04 -1.26 -4.91 135.00 136.66 3ml0 n PRO 71 Ca 0.16 -2.79 -0.27 0.00 -0.04 0.00 0.00 63.50 60.56 3ml0 n PRO 71 Cb 0.41 -1.83 -0.12 0.00 -0.04 0.00 0.00 33.50 31.92 3ml0 n PRO 71 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3ml0 s GLN 72 N -2.02 1.48 -0.16 0.54 -0.21 -1.26 -4.76 119.66 113.28 3ml0 s GLN 72 Ca 0.45 -1.48 -0.23 0.00 0.02 0.00 0.00 55.36 54.13 3ml0 s GLN 72 Cb 0.31 -1.86 -0.02 0.00 1.00 0.00 0.00 33.01 32.43 3ml0 s GLN 72 CO 0.19 0.41 0.71 0.34 -2.12 0.00 0.00 175.29 174.82 3ml0 s ASP 73 N -2.50 6.84 0.00 5.90 2.15 -1.26 -4.86 116.67 122.94 3ml0 s ASP 73 Ca 0.19 1.02 0.00 0.00 0.43 0.00 0.00 52.55 54.19 3ml0 s ASP 73 Cb -0.08 -2.40 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 3ml0 s ASP 73 CO 0.09 -0.27 0.00 1.33 -0.17 0.00 0.00 175.17 176.14 3ml0 n VAL 74 N 4.48 0.00 -4.15 1.11 0.24 -1.26 -4.68 118.33 114.07 3ml0 n VAL 74 Ca 0.00 -0.10 -0.34 0.00 -2.04 0.00 0.00 64.34 61.87 3ml0 n VAL 74 Cb 0.50 0.52 -0.14 0.00 -1.47 0.00 0.00 33.84 33.25 3ml0 n VAL 74 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3ml0 s VAL 75 N -0.99 3.38 -0.02 3.34 1.01 -1.26 -1.76 120.40 124.09 3ml0 s VAL 75 Ca 0.00 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.54 3ml0 s VAL 75 Cb 0.00 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 3ml0 s VAL 75 CO 0.00 0.45 -0.24 -1.81 0.00 0.00 0.00 175.10 173.51 3ml0 s ASP 76 N 1.10 3.25 -0.19 3.32 1.01 -0.68 -5.01 116.67 119.47 3ml0 s ASP 76 Ca 0.01 -0.43 -0.08 0.00 0.71 0.00 0.00 52.55 52.76 3ml0 s ASP 76 Cb -0.15 -0.43 -0.04 0.00 1.01 0.00 0.00 42.92 43.32 3ml0 s ASP 76 CO -0.01 0.32 0.07 -0.63 0.21 0.00 0.00 175.17 175.13 3ml0 s ILE 77 N -0.66 4.77 -0.14 0.77 1.01 -1.26 -1.54 121.20 124.16 3ml0 s ILE 77 Ca 0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.68 3ml0 s ILE 77 Cb -0.10 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 3ml0 s ILE 77 CO -0.00 0.44 -0.01 -0.31 0.00 0.00 0.00 174.94 175.06 3ml0 s TYR 78 N 0.52 3.09 -0.39 3.97 2.02 -0.60 -1.38 117.35 124.57 3ml0 s TYR 78 Ca 0.03 -0.09 -0.16 0.00 -0.37 0.00 0.00 57.07 56.48 3ml0 s TYR 78 Cb -0.13 -1.92 0.01 0.00 -0.40 0.00 0.00 41.96 39.53 3ml0 s TYR 78 CO 0.01 0.15 0.39 1.14 -1.57 0.00 0.00 175.55 175.67 3ml0 s GLN 79 N -0.04 3.23 0.06 -0.62 -2.07 -0.45 -1.09 119.66 118.67 3ml0 s GLN 79 Ca 0.03 -0.69 -0.25 0.00 -1.82 0.00 0.00 55.36 52.63 3ml0 s GLN 79 Cb -0.13 -3.92 -0.06 0.00 -1.09 0.00 0.00 33.01 27.82 3ml0 s GLN 79 CO 0.02 -0.73 0.75 -1.21 -1.32 0.00 0.00 175.29 172.80 3ml0 s GLU 80 N 2.03 4.49 -0.67 9.60 8.01 0.02 -1.11 118.70 141.07 3ml0 s GLU 80 Ca 0.11 1.05 -0.27 0.00 0.01 0.00 0.00 54.97 55.86 3ml0 s GLU 80 Cb -0.17 -3.34 0.02 0.00 -4.31 0.00 0.00 34.13 26.33 3ml0 s GLU 80 CO 0.12 0.34 1.31 0.21 0.01 0.00 0.00 175.26 177.26 3ml0 s LYS 81 N -0.24 3.25 0.54 1.61 2.20 -1.26 -2.43 119.74 123.41 3ml0 s LYS 81 Ca 0.37 0.04 -0.19 0.00 -0.36 0.00 0.00 55.97 55.83 3ml0 s LYS 81 Cb -0.21 -4.14 -0.06 0.00 -1.51 0.00 0.00 37.83 31.91 3ml0 s LYS 81 CO 0.23 -2.04 1.09 -0.51 -0.36 0.00 0.00 175.35 173.76 3ml0 s LEU 82 N 5.80 3.73 0.07 5.43 1.43 -0.56 -0.68 118.68 133.89 3ml0 s LEU 82 Ca 0.42 2.05 -0.31 0.00 -1.03 0.00 0.00 54.13 55.26 3ml0 s LEU 82 Cb -0.09 -4.57 -0.07 0.00 0.03 0.00 0.00 46.19 41.50 3ml0 s LEU 82 CO 0.19 -1.11 1.35 0.21 0.23 0.00 0.00 176.35 177.22 3ml0 s ASN 83 N -1.99 6.89 0.28 2.29 3.84 -0.67 -4.88 114.94 120.69 3ml0 s ASN 83 Ca 0.70 2.19 0.22 0.00 0.21 0.00 0.00 52.86 56.18 3ml0 s ASN 83 Cb -0.20 -2.58 1.04 0.00 -0.55 0.00 0.00 41.25 38.95 3ml0 s ASN 83 CO 0.27 -0.63 1.66 -0.81 -2.79 0.00 0.00 177.10 174.80 3ml0 n PRO 84 N 4.33 0.16 -0.12 0.43 -0.04 -1.26 -3.05 135.00 135.45 3ml0 n PRO 84 Ca 0.11 0.53 -0.16 0.00 -0.04 0.00 0.00 63.50 63.93 3ml0 n PRO 84 Cb 0.44 -1.90 -0.11 0.00 -0.04 0.00 0.00 33.50 31.89 3ml0 n PRO 84 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3ml0 n SER 85 N -2.21 2.18 -4.18 3.54 2.88 -1.26 -4.98 113.62 109.58 3ml0 n SER 85 Ca 0.00 -0.11 -0.30 0.00 -1.33 0.00 0.00 58.87 57.13 3ml0 n SER 85 Cb 0.13 -0.38 -0.17 0.00 -0.75 0.00 0.00 64.21 63.04 3ml0 n SER 85 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 3ml0 s ARG 86 N -2.46 2.73 0.26 -1.46 3.52 -1.17 -5.04 118.95 115.34 3ml0 s ARG 86 Ca -0.31 -0.78 0.12 0.00 -0.13 0.00 0.00 55.73 54.62 3ml0 s ARG 86 Cb 0.08 -2.10 0.27 0.00 -1.56 0.00 0.00 34.95 31.65 3ml0 s ARG 86 CO 0.53 0.16 1.55 0.00 -0.81 0.00 0.00 175.30 176.73 3ml0 h ALA 87 N 6.72 0.82 -0.01 6.12 0.00 -1.94 -3.26 119.26 127.70 3ml0 h ALA 87 Ca -0.22 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.10 3ml0 h ALA 87 Cb 1.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3ml0 h ALA 87 CO 0.47 0.80 -0.01 -0.40 0.00 0.00 0.00 179.25 180.12 3ml0 n ASP 88 N -3.60 1.11 -4.61 0.00 5.68 -1.26 -4.85 116.55 109.02 3ml0 n ASP 88 Ca -0.00 -1.35 -0.34 0.00 -0.50 0.00 0.00 54.79 52.60 3ml0 n ASP 88 Cb 0.67 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.55 3ml0 n ASP 88 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3ml0 s GLN 89 N -2.02 2.95 0.09 0.11 -0.21 -1.23 -1.50 119.66 117.85 3ml0 s GLN 89 Ca 0.40 -0.49 0.06 0.00 0.02 0.00 0.00 55.36 55.35 3ml0 s GLN 89 Cb 0.21 -2.71 -0.03 0.00 1.00 0.00 0.00 33.01 31.48 3ml0 s GLN 89 CO 0.35 0.63 -0.15 1.52 -2.12 0.00 0.00 175.29 175.52 3ml0 s TYR 90 N -0.71 1.35 -0.44 0.91 1.13 -0.63 -1.68 117.35 117.29 3ml0 s TYR 90 Ca 0.11 -0.49 -0.28 0.00 -1.41 0.00 0.00 57.07 55.00 3ml0 s TYR 90 Cb -0.11 -0.74 0.03 0.00 -1.10 0.00 0.00 41.96 40.03 3ml0 s TYR 90 CO 0.02 0.11 1.05 -0.46 -2.51 0.00 0.00 175.55 173.76 3ml0 s TRP 91 N -1.58 2.92 -0.27 -3.49 -0.11 0.14 -1.65 118.94 114.90 3ml0 s TRP 91 Ca 0.03 0.71 -0.03 0.00 1.22 0.00 0.00 56.10 58.03 3ml0 s TRP 91 Cb -0.08 -4.13 0.09 0.00 -1.50 0.00 0.00 33.47 27.85 3ml0 s TRP 91 CO 0.03 -1.11 0.10 0.12 -4.62 0.00 0.00 176.95 171.46 3ml0 s PHE 92 N 4.06 0.92 0.00 5.86 5.36 -1.08 -4.05 117.98 129.05 3ml0 s PHE 92 Ca 0.44 -1.12 0.00 0.00 -0.96 0.00 0.00 56.93 55.29 3ml0 s PHE 92 Cb -0.09 -1.18 0.00 0.00 -0.34 0.00 0.00 43.02 41.41 3ml0 s PHE 92 CO 0.27 -0.77 0.00 0.09 -1.46 0.00 0.00 175.22 173.34 3ml0 n ASN 93 N 5.08 0.00 -3.20 6.13 3.02 0.36 -4.48 115.26 122.17 3ml0 n ASN 93 Ca -0.05 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.54 3ml0 n ASN 93 Cb 0.44 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.59 3ml0 n ASN 93 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3ml0 s ASN 94 N -4.00 -0.74 0.00 6.41 0.01 -1.26 -4.98 114.94 110.38 3ml0 s ASN 94 Ca 0.00 0.55 0.00 0.00 -0.71 0.00 0.00 52.86 52.70 3ml0 s ASN 94 Cb 0.00 1.66 0.00 0.00 0.41 0.00 0.00 41.25 43.32 3ml0 s ASN 94 CO 0.00 -0.14 0.00 0.00 -1.51 0.00 0.00 177.10 175.45 3ml0 n ALA 95 N 5.39 0.64 -2.34 0.60 0.00 -1.26 -5.09 120.51 118.44 3ml0 n ALA 95 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.08 3ml0 n ALA 95 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 3ml0 n ALA 95 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3ml0 s TRP 96 N 0.12 3.46 -0.01 0.00 0.52 -1.26 -2.64 118.94 119.14 3ml0 s TRP 96 Ca 0.00 0.87 0.01 0.00 0.02 0.00 0.00 56.10 57.01 3ml0 s TRP 96 Cb 0.00 -2.29 -0.00 0.00 -1.15 0.00 0.00 33.47 30.03 3ml0 s TRP 96 CO 0.00 0.07 -0.05 0.50 0.02 0.00 0.00 176.95 177.49 3ml0 s ARG 97 N -3.53 0.40 -0.02 4.98 3.52 -0.66 -4.91 118.95 118.73 3ml0 s ARG 97 Ca 0.48 -0.16 -0.19 0.00 -0.13 0.00 0.00 55.73 55.73 3ml0 s ARG 97 Cb -0.11 -0.39 -0.05 0.00 -1.56 0.00 0.00 34.95 32.84 3ml0 s ARG 97 CO 0.28 0.09 0.53 0.99 -0.81 0.00 0.00 175.30 176.39 3ml0 s THR 98 N -0.07 4.96 0.47 4.11 2.01 -1.26 -1.60 115.64 124.27 3ml0 s THR 98 Ca 0.01 1.11 -0.22 0.00 0.31 0.00 0.00 61.69 62.90 3ml0 s THR 98 Cb -0.02 -3.86 -0.08 0.00 0.01 0.00 0.00 72.50 68.55 3ml0 s THR 98 CO -0.00 0.45 1.11 -0.04 -0.69 0.00 0.00 174.62 175.44 3ml0 s MET 99 N -0.31 3.77 0.10 4.92 1.00 -0.56 -5.01 119.30 123.21 3ml0 s MET 99 Ca 0.28 1.61 -0.17 0.00 0.00 0.00 0.00 55.69 57.41 3ml0 s MET 99 Cb -0.17 -2.30 -0.07 0.00 0.00 0.00 0.00 34.83 32.29 3ml0 s MET 99 CO 0.15 -0.50 0.55 -1.21 0.00 0.00 0.00 175.02 174.01 3ml0 s GLU 100 N -2.87 4.10 0.02 2.03 2.02 -0.46 -4.88 118.70 118.67 3ml0 s GLU 100 Ca 0.65 0.63 0.05 0.00 0.02 0.00 0.00 54.97 56.31 3ml0 s GLU 100 Cb -0.24 -3.12 -0.02 0.00 0.10 0.00 0.00 34.13 30.85 3ml0 s GLU 100 CO 0.29 0.58 -0.15 1.14 0.02 0.00 0.00 175.26 177.14 3ml0 s GLN 101 N -1.43 1.05 0.01 1.61 -2.07 -1.26 -0.12 119.66 117.45 3ml0 s GLN 101 Ca 0.32 -0.69 0.01 0.00 -1.82 0.00 0.00 55.36 53.18 3ml0 s GLN 101 Cb -0.18 -1.06 -0.01 0.00 -1.09 0.00 0.00 33.01 30.68 3ml0 s GLN 101 CO 0.19 0.27 -0.05 -0.98 -1.32 0.00 0.00 175.29 173.40 3ml0 s ARG 102 N -0.87 0.38 -0.24 9.60 1.70 -1.02 -4.98 118.95 123.51 3ml0 s ARG 102 Ca 0.04 -0.27 -0.10 0.00 -0.47 0.00 0.00 55.73 54.93 3ml0 s ARG 102 Cb -0.07 -0.31 -0.05 0.00 -0.57 0.00 0.00 34.95 33.95 3ml0 s ARG 102 CO 0.01 0.08 0.14 0.15 -1.08 0.00 0.00 175.30 174.60 3ml0 s LYS 103 N -0.40 3.98 -0.11 3.89 1.02 -1.26 -1.76 119.74 125.10 3ml0 s LYS 103 Ca -0.01 -0.32 -0.03 0.00 0.02 0.00 0.00 55.97 55.63 3ml0 s LYS 103 Cb -0.03 -3.48 -0.03 0.00 -0.52 0.00 0.00 37.83 33.76 3ml0 s LYS 103 CO -0.00 0.02 -0.00 -1.21 -0.92 0.00 0.00 175.35 173.23 3ml0 s GLU 104 N 1.16 3.25 -0.35 1.68 0.41 -0.99 -5.00 118.70 118.87 3ml0 s GLU 104 Ca 0.07 -0.43 -0.08 0.00 -0.41 0.00 0.00 54.97 54.12 3ml0 s GLU 104 Cb -0.14 -2.86 0.04 0.00 -1.78 0.00 0.00 34.13 29.38 3ml0 s GLU 104 CO 0.05 0.54 0.13 0.50 -0.49 0.00 0.00 175.26 175.99 3ml0 s ARG 105 N -0.44 2.67 -0.19 1.61 3.52 -1.26 -2.40 118.95 122.46 3ml0 s ARG 105 Ca 0.08 -1.15 -0.22 0.00 -0.13 0.00 0.00 55.73 54.30 3ml0 s ARG 105 Cb -0.12 -3.53 -0.02 0.00 -1.56 0.00 0.00 34.95 29.72 3ml0 s ARG 105 CO 0.02 -0.67 0.69 0.42 -0.81 0.00 0.00 175.30 174.95 3ml0 s ILE 106 N 1.44 4.98 -0.16 4.11 1.09 0.61 -4.96 121.20 128.31 3ml0 s ILE 106 Ca -0.01 1.32 -0.19 0.00 -1.10 0.00 0.00 60.65 60.67 3ml0 s ILE 106 Cb -0.19 -4.00 -0.03 0.00 -1.06 0.00 0.00 42.46 37.17 3ml0 s ILE 106 CO 0.04 0.08 0.53 -1.58 -0.10 0.00 0.00 174.94 173.91 3ml0 s GLN 107 N 2.01 4.26 -0.06 2.79 0.74 -1.26 -1.30 119.66 126.83 3ml0 s GLN 107 Ca 0.31 0.48 0.05 0.00 0.05 0.00 0.00 55.36 56.26 3ml0 s GLN 107 Cb -0.16 -3.52 -0.01 0.00 1.10 0.00 0.00 33.01 30.43 3ml0 s GLN 107 CO 0.11 -0.05 -0.22 0.08 -0.55 0.00 0.00 175.29 174.66 3ml0 s VAL 108 N 1.29 1.85 -0.02 1.34 1.01 -1.26 -5.01 120.40 119.60 3ml0 s VAL 108 Ca 0.26 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 3ml0 s VAL 108 Cb -0.15 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 3ml0 s VAL 108 CO 0.10 0.52 1.10 -0.60 0.00 0.00 0.00 175.10 176.22 3ml0 s ARG 109 N 0.02 4.44 0.00 2.72 3.52 -1.26 -3.43 118.95 124.96 3ml0 s ARG 109 Ca -0.07 1.57 0.00 0.00 -0.13 0.00 0.00 55.73 57.10 3ml0 s ARG 109 Cb -0.14 -3.48 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 3ml0 s ARG 109 CO 0.04 -0.26 0.00 0.41 -0.81 0.00 0.00 175.30 174.68 3ml0 n GLY 110 N 3.14 2.85 3.58 8.12 0.00 -1.26 -5.01 105.19 116.61 3ml0 n GLY 110 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 3ml0 n GLY 110 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ml0 s GLN 111 N -0.50 1.91 0.71 1.61 -0.21 -1.22 -5.15 119.66 116.80 3ml0 s GLN 111 Ca 0.00 -2.13 -0.11 0.00 0.02 0.00 0.00 55.36 53.14 3ml0 s GLN 111 Cb 0.00 -1.16 0.01 0.00 1.00 0.00 0.00 33.01 32.87 3ml0 s GLN 111 CO 0.00 -0.25 1.06 0.00 -2.12 0.00 0.00 175.29 173.98 3ml0 s ALA 112 N -3.04 2.62 0.14 6.09 0.00 -1.26 -4.59 121.76 121.73 3ml0 s ALA 112 Ca 0.27 0.11 -0.31 0.00 0.00 0.00 0.00 51.96 52.03 3ml0 s ALA 112 Cb 0.06 -3.19 -0.08 0.00 0.00 0.00 0.00 23.12 19.91 3ml0 s ALA 112 CO 0.13 -1.30 1.35 -0.51 0.00 0.00 0.00 175.76 175.43 3ml0 s ASP 113 N -3.73 6.87 -0.13 0.00 1.11 -1.26 -4.53 116.67 114.99 3ml0 s ASP 113 Ca 0.58 2.33 -0.11 0.00 0.18 0.00 0.00 52.55 55.54 3ml0 s ASP 113 Cb -0.14 -2.59 -0.05 0.00 1.07 0.00 0.00 42.92 41.20 3ml0 s ASP 113 CO 0.55 -0.60 0.23 -0.13 1.18 0.00 0.00 175.17 176.40 3ml0 s ARG 114 N 0.66 3.92 -0.03 8.23 0.52 -0.42 -4.94 118.95 126.88 3ml0 s ARG 114 Ca 0.61 0.00 0.05 0.00 -0.52 0.00 0.00 55.73 55.87 3ml0 s ARG 114 Cb -0.36 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 31.77 3ml0 s ARG 114 CO 0.33 0.50 -0.16 -2.00 0.02 0.00 0.00 175.30 174.00 3ml0 s GLU 115 N -0.30 2.40 0.09 3.54 2.12 -1.26 -0.28 118.70 125.01 3ml0 s GLU 115 Ca 0.15 -0.76 -0.01 0.00 0.36 0.00 0.00 54.97 54.72 3ml0 s GLU 115 Cb -0.13 -2.32 -0.04 0.00 0.26 0.00 0.00 34.13 31.90 3ml0 s GLU 115 CO 0.04 0.60 0.00 0.00 -0.54 0.00 0.00 175.26 175.37 3ml0 s MET 116 N -0.85 0.78 -0.09 4.30 0.23 -1.01 -5.02 119.30 117.65 3ml0 s MET 116 Ca 0.12 -1.34 0.04 0.00 -1.03 0.00 0.00 55.69 53.48 3ml0 s MET 116 Cb -0.11 0.16 -0.01 0.00 -1.53 0.00 0.00 34.83 33.35 3ml0 s MET 116 CO 0.01 -0.17 -0.20 0.95 -2.03 0.00 0.00 175.02 173.58 3ml0 s THR 117 N -3.94 2.44 -0.25 3.16 -4.23 -1.26 -2.34 115.64 109.22 3ml0 s THR 117 Ca 0.15 -0.91 -0.04 0.00 -1.18 0.00 0.00 61.69 59.71 3ml0 s THR 117 Cb 0.07 -1.95 0.00 0.00 1.34 0.00 0.00 72.50 71.97 3ml0 s THR 117 CO -0.04 0.56 -0.00 -0.63 -0.54 0.00 0.00 174.62 173.96 3ml0 s ILE 118 N 0.05 3.48 0.35 2.99 1.01 -0.72 -4.98 121.20 123.37 3ml0 s ILE 118 Ca -0.08 -0.66 -0.15 0.00 0.00 0.00 0.00 60.65 59.75 3ml0 s ILE 118 Cb -0.15 -2.69 -0.09 0.00 0.01 0.00 0.00 42.46 39.54 3ml0 s ILE 118 CO 0.05 0.26 0.77 0.26 0.00 0.00 0.00 174.94 176.29 3ml0 s TRP 119 N 1.46 3.38 -0.03 3.97 0.52 -1.26 -2.45 118.94 124.52 3ml0 s TRP 119 Ca 0.04 1.25 -0.02 0.00 0.02 0.00 0.00 56.10 57.38 3ml0 s TRP 119 Cb -0.16 -2.57 0.02 0.00 -1.15 0.00 0.00 33.47 29.61 3ml0 s TRP 119 CO -0.02 0.03 0.08 0.50 0.02 0.00 0.00 176.95 177.57 3ml0 s ARG 120 N -3.14 0.06 0.08 4.98 3.52 0.83 -2.85 118.95 122.44 3ml0 s ARG 120 Ca 0.55 0.18 0.01 0.00 -0.13 0.00 0.00 55.73 56.34 3ml0 s ARG 120 Cb -0.10 -0.07 0.01 0.00 -1.56 0.00 0.00 34.95 33.23 3ml0 s ARG 120 CO 0.19 -0.08 0.08 0.25 -0.81 0.00 0.00 175.30 174.93 3ml0 n THR 121 N 3.53 0.00 0.18 4.11 -2.24 -0.51 -1.35 114.28 117.99 3ml0 n THR 121 Ca -0.18 -0.32 0.02 0.00 -2.27 0.00 0.00 64.05 61.30 3ml0 n THR 121 Cb 0.56 -0.57 0.33 0.00 -2.10 0.00 0.00 70.33 68.55 3ml0 n THR 121 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3ml0 h VAL 122 N 0.38 1.30 0.07 2.28 3.04 -2.01 -3.26 116.25 118.06 3ml0 h VAL 122 Ca -0.05 -1.41 -0.00 0.00 -1.01 0.00 0.00 66.70 64.22 3ml0 h VAL 122 Cb 0.19 1.76 0.00 0.00 -2.01 0.00 0.00 31.29 31.23 3ml0 h VAL 122 CO 0.08 0.40 -0.04 0.45 -1.01 0.00 0.00 177.57 177.45 3ml0 h HIS 123 N 0.00 -0.09 0.00 3.17 3.86 -1.95 -3.51 115.15 116.63 3ml0 h HIS 123 Ca -0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3ml0 h HIS 123 Cb 0.73 0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.23 3ml0 h HIS 123 CO 0.00 0.39 0.00 0.41 0.86 0.00 0.00 177.93 179.59 3ml0 n GLY 124 N 1.23 -0.75 3.77 2.45 0.00 -1.23 -4.47 105.19 106.18 3ml0 n GLY 124 Ca -0.06 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.82 3ml0 n GLY 124 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ml0 s PRO 125 N -0.43 4.23 0.41 1.61 0.04 -1.25 -1.43 135.00 138.19 3ml0 s PRO 125 Ca 0.00 1.75 -0.21 0.00 0.04 0.00 0.00 61.00 62.58 3ml0 s PRO 125 Cb 0.00 -2.77 -0.11 0.00 0.04 0.00 0.00 34.50 31.66 3ml0 s PRO 125 CO 0.00 -0.14 0.93 0.14 0.04 0.00 0.00 177.00 177.98 3ml0 s VAL 126 N -1.41 4.39 -0.07 -0.36 -7.23 -1.13 -0.48 120.40 114.10 3ml0 s VAL 126 Ca 0.54 1.48 0.01 0.00 -1.81 0.00 0.00 61.98 62.21 3ml0 s VAL 126 Cb -0.29 -3.64 -0.05 0.00 0.56 0.00 0.00 36.38 32.96 3ml0 s VAL 126 CO 0.36 -0.27 -0.05 0.23 -0.31 0.00 0.00 175.10 175.07 3ml0 n MET 127 N -0.51 0.73 -3.90 4.82 2.81 -0.28 -4.90 117.12 115.90 3ml0 n MET 127 Ca 0.06 0.03 -0.15 0.00 -1.81 0.00 0.00 57.70 55.84 3ml0 n MET 127 Cb 0.54 -1.15 -0.15 0.00 -0.71 0.00 0.00 33.22 31.75 3ml0 n MET 127 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3ml0 s GLN 128 N -2.14 0.13 -0.19 0.03 0.74 -1.24 -5.05 119.66 111.94 3ml0 s GLN 128 Ca -0.08 0.04 -0.05 0.00 0.05 0.00 0.00 55.36 55.31 3ml0 s GLN 128 Cb 0.02 -0.25 -0.03 0.00 1.10 0.00 0.00 33.01 33.85 3ml0 s GLN 128 CO 0.18 -0.06 0.01 -0.06 -0.55 0.00 0.00 175.29 174.80 3ml0 s PHE 129 N 0.54 3.09 -0.30 1.67 0.40 -1.26 -2.13 117.98 119.98 3ml0 s PHE 129 Ca -0.05 -0.27 0.03 0.00 -0.60 0.00 0.00 56.93 56.04 3ml0 s PHE 129 Cb -0.07 -2.06 0.08 0.00 0.51 0.00 0.00 43.02 41.48 3ml0 s PHE 129 CO -0.01 -0.09 -0.01 0.34 0.70 0.00 0.00 175.22 176.15 3ml0 s ASP 130 N 0.70 4.55 -0.01 1.36 -1.08 -0.85 -5.00 116.67 116.34 3ml0 s ASP 130 Ca 0.00 -1.79 -0.05 0.00 -0.52 0.00 0.00 52.55 50.20 3ml0 s ASP 130 Cb -0.14 -1.53 -0.29 0.00 -1.46 0.00 0.00 42.92 39.50 3ml0 s ASP 130 CO 0.02 -0.30 0.82 1.88 0.52 0.00 0.00 175.17 178.11 3ml0 h TYR 131 N 7.72 0.53 0.00 -5.34 0.05 -1.97 -1.54 116.97 116.42 3ml0 h TYR 131 Ca -0.11 -0.39 -0.08 0.00 0.05 0.00 0.00 58.73 58.20 3ml0 h TYR 131 Cb 1.03 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.74 3ml0 h TYR 131 CO 0.52 1.45 -0.40 0.38 -1.05 0.00 0.00 178.16 179.07 3ml0 h ASP 132 N 0.08 0.00 0.95 3.88 3.04 -1.96 -2.91 116.42 119.51 3ml0 h ASP 132 Ca -0.27 0.00 -0.13 0.00 -3.24 0.00 0.00 57.03 53.40 3ml0 h ASP 132 Cb 2.04 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 40.31 3ml0 h ASP 132 CO 0.17 0.40 -1.12 1.56 -2.04 0.00 0.00 179.24 178.21 3ml0 h GLN 133 N 0.00 0.00 -2.09 4.15 1.08 -2.00 -3.49 115.11 112.76 3ml0 h GLN 133 Ca -0.00 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 3ml0 h GLN 133 Cb 0.93 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 28.39 3ml0 h GLN 133 CO 0.05 0.29 -0.15 0.41 -0.95 0.00 0.00 178.83 178.48 3ml0 n GLY 134 N 1.32 0.62 3.00 3.46 0.00 -0.86 -5.00 105.19 107.72 3ml0 n GLY 134 Ca -0.05 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 3ml0 n GLY 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ml0 s ALA 135 N -3.07 -0.33 -0.03 4.61 0.00 -0.64 -1.50 121.76 120.80 3ml0 s ALA 135 Ca 0.13 0.47 0.07 0.00 0.00 0.00 0.00 51.96 52.63 3ml0 s ALA 135 Cb -0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 3ml0 s ALA 135 CO 0.16 -0.09 -0.26 0.00 0.00 0.00 0.00 175.76 175.58 3ml0 s ALA 136 N 0.34 2.16 -0.33 0.00 0.00 -1.02 -2.01 121.76 120.90 3ml0 s ALA 136 Ca -0.02 -1.10 -0.11 0.00 0.00 0.00 0.00 51.96 50.73 3ml0 s ALA 136 Cb -0.03 -0.59 -0.00 0.00 0.00 0.00 0.00 23.12 22.50 3ml0 s ALA 136 CO -0.01 0.49 0.19 0.71 0.00 0.00 0.00 175.76 177.14 3ml0 s TYR 137 N -0.47 3.20 0.08 0.00 2.02 -0.91 -0.80 117.35 120.47 3ml0 s TYR 137 Ca 0.06 -0.58 0.02 0.00 -0.37 0.00 0.00 57.07 56.20 3ml0 s TYR 137 Cb -0.11 -2.40 -0.04 0.00 -0.40 0.00 0.00 41.96 39.01 3ml0 s TYR 137 CO 0.00 -0.48 0.14 -1.54 -1.57 0.00 0.00 175.55 172.10 3ml0 s SER 138 N 1.63 5.87 -0.41 2.29 1.04 -0.25 -1.12 113.70 122.74 3ml0 s SER 138 Ca 0.04 0.10 -0.08 0.00 0.48 0.00 0.00 55.95 56.49 3ml0 s SER 138 Cb -0.18 -1.68 0.08 0.00 0.10 0.00 0.00 66.02 64.34 3ml0 s SER 138 CO 0.07 0.16 0.24 -0.75 0.98 0.00 0.00 173.24 173.94 3ml0 s LYS 139 N -2.51 2.55 -0.22 4.02 2.20 0.36 -1.56 119.74 124.58 3ml0 s LYS 139 Ca 0.32 -1.46 -0.10 0.00 -0.36 0.00 0.00 55.97 54.37 3ml0 s LYS 139 Cb -0.12 -3.72 -0.05 0.00 -1.51 0.00 0.00 37.83 32.43 3ml0 s LYS 139 CO 0.25 -0.93 0.14 0.21 -0.36 0.00 0.00 175.35 174.66 3ml0 s LYS 140 N 1.40 4.08 -0.05 4.03 2.20 -0.59 -3.80 119.74 127.02 3ml0 s LYS 140 Ca 0.03 -0.27 0.05 0.00 -0.36 0.00 0.00 55.97 55.42 3ml0 s LYS 140 Cb -0.23 -3.47 -0.02 0.00 -1.51 0.00 0.00 37.83 32.60 3ml0 s LYS 140 CO 0.02 0.14 -0.18 1.03 -0.36 0.00 0.00 175.35 175.99 3ml0 s ARG 141 N 0.82 2.46 0.30 4.03 0.52 -1.26 -1.69 118.95 124.13 3ml0 s ARG 141 Ca 0.07 -0.77 0.14 0.00 -0.52 0.00 0.00 55.73 54.65 3ml0 s ARG 141 Cb -0.13 -2.29 0.37 0.00 0.52 0.00 0.00 34.95 33.42 3ml0 s ARG 141 CO 0.02 0.56 1.59 1.03 0.02 0.00 0.00 175.30 178.52 3ml0 h SER 142 N 5.52 0.00 -0.07 0.23 0.87 -1.67 -3.11 113.55 115.32 3ml0 h SER 142 Ca -0.43 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 3ml0 h SER 142 Cb 1.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 3ml0 h SER 142 CO 0.49 0.55 0.00 -2.67 -0.53 0.00 0.00 176.83 174.67 3ml0 n TRP 143 N -3.52 0.08 -1.90 2.24 4.27 -1.26 -4.92 117.44 112.42 3ml0 n TRP 143 Ca -0.00 -0.04 -0.42 0.00 -3.89 0.00 0.00 57.50 53.15 3ml0 n TRP 143 Cb 0.64 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.56 3ml0 n TRP 143 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 3ml0 s ASP 144 N -1.84 6.58 0.00 -0.67 2.15 -1.18 -1.75 116.67 119.97 3ml0 s ASP 144 Ca 0.36 2.53 0.00 0.00 0.43 0.00 0.00 52.55 55.88 3ml0 s ASP 144 Cb 0.20 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 3ml0 s ASP 144 CO 0.31 -0.89 0.00 0.61 -0.17 0.00 0.00 175.17 175.03 3ml0 n GLY 145 N 3.99 0.72 2.24 2.66 0.00 -1.26 -4.93 105.19 108.61 3ml0 n GLY 145 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 3ml0 n GLY 145 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ml0 n TYR 146 N -2.00 2.43 -0.03 1.61 4.01 -0.71 -4.84 117.16 117.62 3ml0 n TYR 146 Ca 0.00 -2.27 -0.13 0.00 -0.16 0.00 0.00 57.90 55.34 3ml0 n TYR 146 Cb 0.00 -0.30 -0.10 0.00 -0.31 0.00 0.00 39.34 38.63 3ml0 n TYR 146 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3ml0 h GLU 147 N 2.32 0.06 0.00 -0.72 3.07 -1.92 -2.99 114.58 114.39 3ml0 h GLU 147 Ca 0.24 -0.04 -0.14 0.00 -0.50 0.00 0.00 59.36 58.93 3ml0 h GLU 147 Cb 1.44 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.33 3ml0 h GLU 147 CO 0.63 0.65 -0.65 -0.39 -1.40 0.00 0.00 179.01 177.85 3ml0 h VAL 148 N -0.52 1.41 -0.62 3.13 -1.51 -1.96 -2.71 116.25 113.47 3ml0 h VAL 148 Ca -0.00 -2.27 -0.09 0.00 -1.23 0.00 0.00 66.70 63.10 3ml0 h VAL 148 Cb 0.65 2.24 -0.02 0.00 -2.13 0.00 0.00 31.29 32.03 3ml0 h VAL 148 CO 0.01 0.64 0.02 -0.61 -1.23 0.00 0.00 177.57 176.39 3ml0 h GLN 149 N 0.00 1.08 0.00 5.19 4.15 -1.91 0.38 115.11 123.99 3ml0 h GLN 149 Ca -0.01 -0.33 -0.11 0.00 0.77 0.00 0.00 58.65 58.97 3ml0 h GLN 149 Cb 1.19 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.76 3ml0 h GLN 149 CO 0.08 1.04 -0.51 0.77 -1.93 0.00 0.00 178.83 178.28 3ml0 h SER 150 N 0.99 0.00 -0.18 -0.69 0.02 -1.52 -1.68 113.55 110.48 3ml0 h SER 150 Ca 0.18 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.99 3ml0 h SER 150 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 3ml0 h SER 150 CO 0.03 0.51 -0.43 0.25 -1.14 0.00 0.00 176.83 176.05 3ml0 h LEU 151 N 0.00 0.69 -0.30 5.07 6.46 -1.12 -2.94 115.31 123.17 3ml0 h LEU 151 Ca -0.01 -0.57 -0.19 0.00 -0.12 0.00 0.00 57.88 57.00 3ml0 h LEU 151 Cb 1.11 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.82 3ml0 h LEU 151 CO 0.07 1.13 -0.86 -0.07 -0.62 0.00 0.00 178.44 178.09 3ml0 h LEU 152 N 0.27 0.11 -1.07 2.25 4.07 -0.93 -2.79 115.31 117.22 3ml0 h LEU 152 Ca -0.00 -0.09 -0.09 0.00 0.08 0.00 0.00 57.88 57.78 3ml0 h LEU 152 Cb 1.04 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.74 3ml0 h LEU 152 CO 0.09 0.91 -0.33 0.00 -1.08 0.00 0.00 178.44 178.04 3ml0 h ALA 153 N 1.08 1.22 0.00 1.53 0.00 -1.38 0.27 119.26 121.98 3ml0 h ALA 153 Ca -0.02 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 3ml0 h ALA 153 Cb 1.50 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 3ml0 h ALA 153 CO 0.12 0.52 -0.22 2.35 0.00 0.00 0.00 179.25 182.03 3ml0 h TRP 154 N 0.21 0.00 0.15 0.00 2.91 -1.48 -3.12 115.95 114.63 3ml0 h TRP 154 Ca 0.03 0.00 -0.26 0.00 1.13 0.00 0.00 58.89 59.79 3ml0 h TRP 154 Cb 0.69 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 29.35 3ml0 h TRP 154 CO 0.01 0.22 -1.23 1.25 -1.03 0.00 0.00 178.44 177.66 3ml0 h LEU 155 N 0.00 0.50 0.00 0.65 5.85 -1.09 -3.35 115.31 117.87 3ml0 h LEU 155 Ca -0.00 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 57.81 3ml0 h LEU 155 Cb 0.92 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.78 3ml0 h LEU 155 CO 0.03 1.56 0.00 0.59 -0.34 0.00 0.00 178.44 180.28 3ml0 n ASN 156 N -3.94 0.00 0.16 1.25 3.02 0.02 -2.52 115.26 113.24 3ml0 n ASN 156 Ca -0.20 0.48 0.13 0.00 -0.03 0.00 0.00 54.58 54.96 3ml0 n ASN 156 Cb 0.92 -0.49 0.49 0.00 -0.61 0.00 0.00 39.78 40.08 3ml0 n ASN 156 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 3ml0 h VAL 157 N 0.00 0.00 0.00 2.41 3.04 -1.67 -2.73 116.25 117.30 3ml0 h VAL 157 Ca 0.00 -0.38 -0.12 0.00 -1.01 0.00 0.00 66.70 65.20 3ml0 h VAL 157 Cb 0.35 1.23 -0.02 0.00 -2.01 0.00 0.00 31.29 30.84 3ml0 h VAL 157 CO 0.00 0.00 -0.55 0.00 -1.01 0.00 0.00 177.57 176.01 3ml0 h ALA 158 N 2.26 0.77 0.00 3.17 0.00 -1.70 -3.13 119.26 120.62 3ml0 h ALA 158 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3ml0 h ALA 158 Cb 0.51 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3ml0 h ALA 158 CO 0.00 0.69 -0.22 1.63 0.00 0.00 0.00 179.25 181.34 3ml0 n LYS 159 N -3.41 0.17 -2.07 0.00 5.02 -1.03 -4.83 118.16 112.01 3ml0 n LYS 159 Ca 0.01 0.10 -0.35 0.00 -2.02 0.00 0.00 58.31 56.05 3ml0 n LYS 159 Cb 0.67 -1.66 0.02 0.00 -0.02 0.00 0.00 35.03 34.04 3ml0 n LYS 159 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ml0 s ALA 160 N -3.08 2.58 0.00 7.82 0.00 -1.19 -4.98 121.76 122.92 3ml0 s ALA 160 Ca 0.10 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.95 3ml0 s ALA 160 Cb 0.15 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.87 3ml0 s ALA 160 CO 0.63 -1.04 0.00 2.89 0.00 0.00 0.00 175.76 178.24 3ml0 n ARG 161 N -1.58 4.63 -4.14 0.00 1.85 -1.26 -4.79 116.66 111.36 3ml0 n ARG 161 Ca 0.12 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.82 3ml0 n ARG 161 Cb 0.50 -0.33 -0.06 0.00 -1.05 0.00 0.00 32.46 31.52 3ml0 n ARG 161 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3ml0 s ASN 162 N -0.67 1.00 0.28 2.89 2.20 -1.26 -4.84 114.94 114.54 3ml0 s ASN 162 Ca 0.00 -1.52 0.02 0.00 -0.94 0.00 0.00 52.86 50.42 3ml0 s ASN 162 Cb 0.00 0.61 0.41 0.00 -2.00 0.00 0.00 41.25 40.27 3ml0 s ASN 162 CO 0.00 -1.19 1.73 -0.25 -2.94 0.00 0.00 177.10 174.45 3ml0 h TRP 163 N 2.17 0.57 -0.08 1.54 2.91 -1.99 -1.45 115.95 119.61 3ml0 h TRP 163 Ca -0.28 -0.11 -0.12 0.00 1.13 0.00 0.00 58.89 59.51 3ml0 h TRP 163 Cb 1.24 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 29.73 3ml0 h TRP 163 CO 1.39 0.69 -0.49 1.79 -1.03 0.00 0.00 178.44 180.80 3ml0 h THR 164 N 0.46 1.34 0.00 2.65 1.35 -1.99 -0.53 112.91 116.19 3ml0 h THR 164 Ca 0.07 -1.70 0.00 0.00 -0.55 0.00 0.00 66.41 64.23 3ml0 h THR 164 Cb 0.63 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 3ml0 h THR 164 CO 0.05 0.50 -0.16 -0.62 -0.25 0.00 0.00 175.52 175.04 3ml0 n GLU 165 N -3.96 0.14 0.04 4.72 1.02 -1.09 -3.13 120.64 118.38 3ml0 n GLU 165 Ca -0.02 0.09 -0.16 0.00 -0.02 0.00 0.00 57.16 57.06 3ml0 n GLU 165 Cb 0.53 -1.64 -0.14 0.00 -0.02 0.00 0.00 31.44 30.17 3ml0 n GLU 165 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3ml0 h PHE 166 N 0.00 0.35 0.14 -0.32 3.57 -0.78 -3.37 116.94 116.54 3ml0 h PHE 166 Ca 0.00 -0.26 -0.29 0.00 3.53 0.00 0.00 57.97 60.95 3ml0 h PHE 166 Cb 0.63 -0.01 0.02 0.00 2.79 0.00 0.00 35.95 39.37 3ml0 h PHE 166 CO 0.00 1.37 -1.26 1.25 -2.23 0.00 0.00 178.31 177.44 3ml0 h LEU 167 N 0.05 0.63 -0.84 0.59 5.85 -1.15 -3.20 115.31 117.25 3ml0 h LEU 167 Ca -0.28 -0.63 -0.06 0.00 0.84 0.00 0.00 57.88 57.75 3ml0 h LEU 167 Cb 2.01 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.83 3ml0 h LEU 167 CO 0.13 1.47 -0.31 -2.24 -0.34 0.00 0.00 178.44 177.15 3ml0 h ASP 168 N 0.15 0.00 0.79 1.25 2.03 -1.75 -2.64 116.42 116.25 3ml0 h ASP 168 Ca -0.17 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.00 3ml0 h ASP 168 Cb 1.95 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 40.43 3ml0 h ASP 168 CO 0.22 0.31 -0.64 1.56 -1.03 0.00 0.00 179.24 179.66 3ml0 h GLN 169 N 0.00 0.00 0.00 4.15 1.08 -1.72 -3.03 115.11 115.58 3ml0 h GLN 169 Ca -0.00 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 3ml0 h GLN 169 Cb 0.91 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.33 3ml0 h GLN 169 CO 0.04 0.64 -0.31 0.00 -0.95 0.00 0.00 178.83 178.25 3ml0 h ALA 170 N 1.36 1.00 0.00 3.87 0.00 -1.47 -2.95 119.26 121.08 3ml0 h ALA 170 Ca -0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3ml0 h ALA 170 Cb 1.21 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3ml0 h ALA 170 CO 0.08 0.39 -0.17 1.03 0.00 0.00 0.00 179.25 180.58 3ml0 h SER 171 N 0.00 0.00 1.37 0.00 0.87 -1.38 -2.60 113.55 111.80 3ml0 h SER 171 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3ml0 h SER 171 Cb 0.84 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 3ml0 h SER 171 CO 0.04 0.17 -0.32 0.11 -0.53 0.00 0.00 176.83 176.30 3ml0 h LYS 172 N 0.00 0.00 -6.61 2.24 1.57 -1.59 -3.46 116.57 108.71 3ml0 h LYS 172 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 3ml0 h LYS 172 Cb 0.57 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.90 3ml0 h LYS 172 CO 0.02 0.00 0.61 -1.64 -0.57 0.00 0.00 179.45 177.87 3ml0 s MET 173 N -3.19 4.42 -0.14 3.15 -1.94 -0.98 -4.42 119.30 116.20 3ml0 s MET 173 Ca 0.07 1.93 0.08 0.00 -1.71 0.00 0.00 55.69 56.07 3ml0 s MET 173 Cb 0.10 -3.25 -0.14 0.00 2.01 0.00 0.00 34.83 33.55 3ml0 s MET 173 CO 0.68 -0.23 -0.02 0.00 -0.01 0.00 0.00 175.02 175.44 3ml0 n ALA 174 N 3.09 1.67 -1.81 3.03 0.00 -1.26 -3.82 120.51 121.41 3ml0 n ALA 174 Ca 0.07 -0.81 -0.33 0.00 0.00 0.00 0.00 53.44 52.37 3ml0 n ALA 174 Cb 0.44 0.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.84 3ml0 n ALA 174 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3ml0 s ILE 175 N -2.32 4.33 -0.27 0.00 -4.36 -1.26 -1.99 121.20 115.32 3ml0 s ILE 175 Ca -0.11 1.50 -0.29 0.00 -0.26 0.00 0.00 60.65 61.48 3ml0 s ILE 175 Cb 0.04 -3.63 0.00 0.00 1.25 0.00 0.00 42.46 40.13 3ml0 s ILE 175 CO 0.48 -0.27 1.20 -0.55 0.24 0.00 0.00 174.94 176.05 3ml0 s SER 176 N -2.11 6.85 0.18 4.36 0.15 -1.26 -4.26 113.70 117.62 3ml0 s SER 176 Ca 0.61 1.28 -0.18 0.00 0.70 0.00 0.00 55.95 58.37 3ml0 s SER 176 Cb -0.11 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 61.70 3ml0 s SER 176 CO 0.15 -0.91 0.52 -0.51 1.20 0.00 0.00 173.24 173.68 3ml0 s ILE 177 N 3.86 0.03 -0.13 6.45 1.10 -1.17 -3.81 121.20 127.53 3ml0 s ILE 177 Ca 0.52 -0.68 -0.02 0.00 -0.51 0.00 0.00 60.65 59.96 3ml0 s ILE 177 Cb -0.16 -1.48 -0.02 0.00 0.15 0.00 0.00 42.46 40.95 3ml0 s ILE 177 CO 0.17 -0.13 -0.07 0.20 -2.11 0.00 0.00 174.94 173.00 3ml0 s ASN 178 N -2.85 4.53 0.15 4.50 0.01 -1.26 -3.05 114.94 116.97 3ml0 s ASN 178 Ca 0.08 -0.16 0.09 0.00 -0.71 0.00 0.00 52.86 52.15 3ml0 s ASN 178 Cb -0.01 -1.59 -0.04 0.00 0.41 0.00 0.00 41.25 40.02 3ml0 s ASN 178 CO -0.05 0.21 -0.12 0.26 -1.51 0.00 0.00 177.10 175.89 3ml0 s TRP 179 N 0.09 2.61 0.03 2.20 0.51 0.40 -3.36 118.94 121.42 3ml0 s TRP 179 Ca -0.02 -0.23 0.03 0.00 -2.12 0.00 0.00 56.10 53.76 3ml0 s TRP 179 Cb -0.14 -1.32 -0.02 0.00 -0.81 0.00 0.00 33.47 31.18 3ml0 s TRP 179 CO 0.03 0.47 -0.09 0.71 -0.51 0.00 0.00 176.95 177.56 3ml0 s TYR 180 N -1.48 0.78 0.01 -1.98 2.02 -1.25 -1.87 117.35 113.59 3ml0 s TYR 180 Ca 0.22 -0.34 0.07 0.00 -0.37 0.00 0.00 57.07 56.65 3ml0 s TYR 180 Cb -0.10 -0.47 -0.02 0.00 -0.40 0.00 0.00 41.96 40.97 3ml0 s TYR 180 CO 0.13 -0.03 -0.21 -0.47 -1.57 0.00 0.00 175.55 173.41 3ml0 s TYR 181 N -0.86 1.85 -0.30 2.71 5.04 0.53 -3.69 117.35 122.62 3ml0 s TYR 181 Ca -0.03 -0.36 -0.05 0.00 -2.44 0.00 0.00 57.07 54.18 3ml0 s TYR 181 Cb -0.07 -1.15 0.16 0.00 0.35 0.00 0.00 41.96 41.26 3ml0 s TYR 181 CO 0.00 0.03 0.64 0.00 -1.34 0.00 0.00 175.55 174.88 3ml0 s ALA 182 N -0.63 -2.21 0.46 3.97 0.00 -1.22 -1.60 121.76 120.52 3ml0 s ALA 182 Ca 0.08 2.05 0.08 0.00 0.00 0.00 0.00 51.96 54.17 3ml0 s ALA 182 Cb -0.08 -2.01 0.01 0.00 0.00 0.00 0.00 23.12 21.04 3ml0 s ALA 182 CO 0.00 -1.16 0.51 0.16 0.00 0.00 0.00 175.76 175.28 3ml0 s ASP 183 N 2.87 5.19 0.45 0.00 1.47 -0.89 -0.42 116.67 125.33 3ml0 s ASP 183 Ca 0.09 -0.73 0.28 0.00 1.18 0.00 0.00 52.55 53.37 3ml0 s ASP 183 Cb -0.13 -0.32 0.91 0.00 -0.34 0.00 0.00 42.92 43.04 3ml0 s ASP 183 CO -0.20 -0.86 1.80 0.07 0.68 0.00 0.00 175.17 176.66 3ml0 h LYS 184 N 0.73 0.00 -0.09 2.11 2.10 -1.85 -3.20 116.57 116.37 3ml0 h LYS 184 Ca -0.38 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.13 3ml0 h LYS 184 Cb 1.28 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.60 3ml0 h LYS 184 CO 0.51 0.00 -0.55 0.45 -2.00 0.00 0.00 179.45 177.85 3ml0 h HIS 185 N 0.00 0.35 0.00 0.07 3.86 -1.96 -3.48 115.15 114.00 3ml0 h HIS 185 Ca 0.00 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 3ml0 h HIS 185 Cb 0.69 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.09 3ml0 h HIS 185 CO 0.00 0.77 0.00 0.41 0.86 0.00 0.00 177.93 179.97 3ml0 n GLY 186 N 0.16 0.19 3.83 2.45 0.00 -1.21 -5.07 105.19 105.54 3ml0 n GLY 186 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 3ml0 n GLY 186 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ml0 s ASN 187 N -0.37 6.94 -0.01 1.61 0.01 -1.26 -4.48 114.94 117.37 3ml0 s ASN 187 Ca 0.00 1.17 0.04 0.00 -0.71 0.00 0.00 52.86 53.36 3ml0 s ASN 187 Cb 0.00 -2.32 -0.01 0.00 0.41 0.00 0.00 41.25 39.33 3ml0 s ASN 187 CO 0.00 0.19 -0.14 0.27 -1.51 0.00 0.00 177.10 175.91 3ml0 s ILE 188 N -1.28 1.13 0.11 0.60 -4.36 -1.26 -2.10 121.20 114.04 3ml0 s ILE 188 Ca 0.33 -0.60 -0.01 0.00 -0.26 0.00 0.00 60.65 60.11 3ml0 s ILE 188 Cb -0.17 -0.95 -0.04 0.00 1.25 0.00 0.00 42.46 42.55 3ml0 s ILE 188 CO 0.19 0.32 0.04 -0.83 0.24 0.00 0.00 174.94 174.89 3ml0 s GLY 189 N -0.27 0.88 -0.07 6.27 0.00 -0.63 -0.62 107.32 112.87 3ml0 s GLY 189 Ca 0.04 -1.42 -0.06 0.00 0.00 0.00 0.00 44.72 43.28 3ml0 s GLY 189 CO -0.00 -1.36 0.19 -0.47 0.00 0.00 0.00 173.10 171.46 3ml0 s TYR 190 N -4.01 -0.22 -0.02 1.90 5.04 0.23 -0.35 117.35 119.92 3ml0 s TYR 190 Ca 0.20 0.53 -0.10 0.00 -2.44 0.00 0.00 57.07 55.26 3ml0 s TYR 190 Cb 0.08 0.06 0.01 0.00 0.35 0.00 0.00 41.96 42.46 3ml0 s TYR 190 CO -0.01 -0.11 0.22 0.54 -1.34 0.00 0.00 175.55 174.85 3ml0 s VAL 191 N 0.25 0.06 -0.68 3.14 0.11 -0.78 -0.30 120.40 122.20 3ml0 s VAL 191 Ca -0.01 -0.48 0.05 0.00 -2.93 0.00 0.00 61.98 58.61 3ml0 s VAL 191 Cb -0.03 -0.48 0.19 0.00 -1.53 0.00 0.00 36.38 34.54 3ml0 s VAL 191 CO -0.01 -0.27 0.57 -0.24 -3.33 0.00 0.00 175.10 171.83 3ml0 n SER 192 N 1.67 3.15 -4.74 3.54 2.88 -0.96 -0.45 113.62 118.71 3ml0 n SER 192 Ca -0.20 -3.26 -0.41 0.00 -1.33 0.00 0.00 58.87 53.66 3ml0 n SER 192 Cb 0.56 -0.73 -0.03 0.00 -0.75 0.00 0.00 64.21 63.27 3ml0 n SER 192 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3ml0 s PRO 193 N -1.74 4.35 -0.26 -1.46 0.04 -1.17 -4.57 135.00 130.19 3ml0 s PRO 193 Ca 0.30 2.12 -0.26 0.00 0.04 0.00 0.00 61.00 63.20 3ml0 s PRO 193 Cb 0.02 -3.18 0.13 0.00 0.04 0.00 0.00 34.50 31.51 3ml0 s PRO 193 CO -0.12 -0.32 1.07 0.00 0.04 0.00 0.00 177.00 177.66 3ml0 s ALA 194 N 0.23 -1.99 -1.07 8.56 0.00 -1.26 -3.05 121.76 123.19 3ml0 s ALA 194 Ca 0.59 1.79 -0.22 0.00 0.00 0.00 0.00 51.96 54.11 3ml0 s ALA 194 Cb -0.38 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.44 3ml0 s ALA 194 CO 0.38 -0.24 1.73 -0.06 0.00 0.00 0.00 175.76 177.58 3ml0 s PHE 195 N -0.11 2.27 -0.10 0.00 2.99 -0.84 -4.95 117.98 117.24 3ml0 s PHE 195 Ca 0.03 -0.33 -0.30 0.00 0.00 0.00 0.00 56.93 56.33 3ml0 s PHE 195 Cb -0.04 -4.40 -0.02 0.00 0.00 0.00 0.00 43.02 38.57 3ml0 s PHE 195 CO -0.05 -1.73 1.07 -0.51 -0.00 0.00 0.00 175.22 173.99 3ml0 s LEU 196 N 7.37 4.24 0.27 -0.37 1.43 -1.26 -4.81 118.68 125.56 3ml0 s LEU 196 Ca 0.58 1.60 -0.18 0.00 -1.03 0.00 0.00 54.13 55.11 3ml0 s LEU 196 Cb -0.01 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.56 3ml0 s LEU 196 CO 0.00 -0.51 0.75 -2.16 0.23 0.00 0.00 176.35 174.66 3ml0 s PRO 197 N 2.17 4.17 -0.51 1.29 0.04 -1.26 0.70 135.00 141.61 3ml0 s PRO 197 Ca 0.50 0.82 -0.19 0.00 0.04 0.00 0.00 61.00 62.18 3ml0 s PRO 197 Cb -0.20 -2.67 0.06 0.00 0.04 0.00 0.00 34.50 31.73 3ml0 s PRO 197 CO 0.18 0.28 0.62 -1.14 0.04 0.00 0.00 177.00 176.98 3ml0 s GLN 198 N -2.42 3.11 0.19 4.56 0.74 0.62 -4.74 119.66 121.71 3ml0 s GLN 198 Ca 0.48 -0.93 -0.15 0.00 0.05 0.00 0.00 55.36 54.81 3ml0 s GLN 198 Cb -0.14 -4.11 -0.07 0.00 1.10 0.00 0.00 33.01 29.79 3ml0 s GLN 198 CO 0.19 -1.22 0.60 1.03 -0.55 0.00 0.00 175.29 175.34 3ml0 s ARG 199 N 2.58 4.01 0.81 1.67 0.52 -1.26 -2.26 118.95 125.02 3ml0 s ARG 199 Ca 0.14 0.55 -0.11 0.00 -0.52 0.00 0.00 55.73 55.80 3ml0 s ARG 199 Cb -0.20 -2.84 0.08 0.00 0.52 0.00 0.00 34.95 32.52 3ml0 s ARG 199 CO 0.11 0.41 1.10 -1.25 0.02 0.00 0.00 175.30 175.69 3ml0 s PRO 200 N -2.17 1.92 0.54 3.54 0.04 -1.26 -4.94 135.00 132.67 3ml0 s PRO 200 Ca 0.42 1.20 0.31 0.00 0.04 0.00 0.00 61.00 62.96 3ml0 s PRO 200 Cb -0.14 -1.86 1.55 0.00 0.04 0.00 0.00 34.50 34.09 3ml0 s PRO 200 CO 0.20 -1.89 2.09 0.00 0.04 0.00 0.00 177.00 177.43 3ml0 h ALA 201 N -1.31 1.17 -0.00 8.56 0.00 -1.99 -2.53 119.26 123.16 3ml0 h ALA 201 Ca -0.44 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 3ml0 h ALA 201 Cb 1.24 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3ml0 h ALA 201 CO 0.50 0.11 -0.51 -0.44 0.00 0.00 0.00 179.25 178.91 3ml0 h ASP 202 N 0.00 0.00 -3.29 0.00 5.19 -2.00 -3.44 116.42 112.87 3ml0 h ASP 202 Ca -0.00 -0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.87 3ml0 h ASP 202 Cb 0.34 -0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.85 3ml0 h ASP 202 CO 0.01 0.51 0.49 -1.58 -3.12 0.00 0.00 179.24 175.55 3ml0 s GLN 203 N -3.88 4.49 -0.09 3.56 0.74 -0.96 -5.04 119.66 118.48 3ml0 s GLN 203 Ca -0.02 1.64 -0.15 0.00 0.05 0.00 0.00 55.36 56.88 3ml0 s GLN 203 Cb 0.13 -3.38 -0.05 0.00 1.10 0.00 0.00 33.01 30.82 3ml0 s GLN 203 CO 0.75 -0.16 0.38 0.34 -0.55 0.00 0.00 175.29 176.05 3ml0 s ASP 204 N 0.96 6.63 0.36 6.67 -1.08 -1.26 -4.92 116.67 124.03 3ml0 s ASP 204 Ca 0.56 0.75 0.17 0.00 -0.52 0.00 0.00 52.55 53.51 3ml0 s ASP 204 Cb -0.26 -2.23 0.65 0.00 -1.46 0.00 0.00 42.92 39.61 3ml0 s ASP 204 CO 0.29 0.15 1.73 -0.29 0.52 0.00 0.00 175.17 177.57 3ml0 h ILE 205 N 4.36 0.99 0.05 4.11 2.10 -1.96 -3.27 117.51 123.88 3ml0 h ILE 205 Ca -0.45 -1.58 -0.27 0.00 1.08 0.00 0.00 64.86 63.65 3ml0 h ILE 205 Cb 1.19 1.93 -0.03 0.00 -1.09 0.00 0.00 36.82 38.83 3ml0 h ILE 205 CO 0.70 0.40 -1.37 0.08 -1.08 0.00 0.00 178.15 176.88 3ml0 h ARG 206 N 0.00 0.10 -6.31 2.19 0.11 -1.89 -3.35 114.38 105.22 3ml0 h ARG 206 Ca -0.00 -0.16 -0.59 0.00 0.10 0.00 0.00 59.98 59.32 3ml0 h ARG 206 Cb 0.90 0.06 -0.11 0.00 1.11 0.00 0.00 29.97 31.94 3ml0 h ARG 206 CO 0.05 0.92 -0.65 0.14 0.10 0.00 0.00 179.97 180.53 3ml0 s VAL 207 N -2.65 3.75 0.55 0.08 -7.23 -1.23 -4.88 120.40 108.79 3ml0 s VAL 207 Ca -0.04 -1.46 -0.21 0.00 -1.81 0.00 0.00 61.98 58.46 3ml0 s VAL 207 Cb 0.08 -2.90 -0.06 0.00 0.56 0.00 0.00 36.38 34.06 3ml0 s VAL 207 CO 0.83 -0.14 1.12 -2.65 -0.31 0.00 0.00 175.10 173.95 3ml0 n PRO 208 N -0.24 1.26 -2.59 4.82 -0.02 -1.26 -4.65 135.00 132.32 3ml0 n PRO 208 Ca -0.09 0.47 -0.28 0.00 -2.02 0.00 0.00 63.50 61.58 3ml0 n PRO 208 Cb 0.56 -2.29 -0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3ml0 n PRO 208 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ml0 s ALA 209 N -1.39 3.38 -0.11 3.55 0.00 -0.48 -4.86 121.76 121.85 3ml0 s ALA 209 Ca 0.72 -0.47 -0.29 0.00 0.00 0.00 0.00 51.96 51.92 3ml0 s ALA 209 Cb -0.44 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 3ml0 s ALA 209 CO 0.49 -0.37 1.40 0.15 0.00 0.00 0.00 175.76 177.44 3ml0 s LYS 210 N -4.75 4.22 -1.13 0.00 1.02 -1.26 -1.35 119.74 116.50 3ml0 s LYS 210 Ca 0.48 1.86 -0.04 0.00 0.02 0.00 0.00 55.97 58.29 3ml0 s LYS 210 Cb -0.10 -3.81 0.27 0.00 -0.52 0.00 0.00 37.83 33.66 3ml0 s LYS 210 CO 0.45 -0.73 1.74 0.41 -0.92 0.00 0.00 175.35 176.30 3ml0 n GLY 211 N 3.77 5.39 0.00 -3.33 0.00 -0.27 -3.97 105.19 106.78 3ml0 n GLY 211 Ca 0.15 -2.48 0.00 0.00 0.00 0.00 0.00 46.02 43.68 3ml0 n GLY 211 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ml0 n ASP 212 N 1.39 0.12 0.00 1.61 5.75 -1.26 -4.03 116.55 120.14 3ml0 n ASP 212 Ca 0.38 -0.47 0.00 0.00 -0.01 0.00 0.00 54.79 54.69 3ml0 n ASP 212 Cb 0.31 0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 3ml0 n ASP 212 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ml0 n GLY 213 N 0.21 2.95 0.12 6.12 0.00 -1.26 0.13 105.19 113.46 3ml0 n GLY 213 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 3ml0 n GLY 213 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ml0 h SER 214 N 0.04 0.07 -3.87 1.61 0.02 -1.96 -3.39 113.55 106.09 3ml0 h SER 214 Ca 0.00 -0.05 -0.63 0.00 -0.84 0.00 0.00 61.79 60.27 3ml0 h SER 214 Cb 0.00 -0.02 -0.41 0.00 0.14 0.00 0.00 62.40 62.11 3ml0 h SER 214 CO 0.00 0.79 -0.63 -0.32 -1.14 0.00 0.00 176.83 175.53 3ml0 s MET 215 N -3.36 2.04 0.31 3.45 0.00 -1.25 -5.08 119.30 115.40 3ml0 s MET 215 Ca -0.01 -2.78 0.06 0.00 0.00 0.00 0.00 55.69 52.95 3ml0 s MET 215 Cb 0.12 -3.22 -0.06 0.00 0.00 0.00 0.00 34.83 31.66 3ml0 s MET 215 CO 0.79 -1.17 -0.01 -1.21 0.00 0.00 0.00 175.02 173.42 3ml0 s GLU 216 N -0.58 1.63 0.18 4.11 0.41 -1.26 -4.55 118.70 118.64 3ml0 s GLU 216 Ca 0.20 -1.87 -0.30 0.00 -0.41 0.00 0.00 54.97 52.58 3ml0 s GLU 216 Cb -0.19 -1.10 -0.09 0.00 -1.78 0.00 0.00 34.13 30.98 3ml0 s GLU 216 CO -0.05 -0.06 1.34 -1.58 -0.49 0.00 0.00 175.26 174.42 3ml0 s TRP 217 N -3.08 3.24 -0.14 1.61 0.51 -1.26 -4.51 118.94 115.31 3ml0 s TRP 217 Ca 0.33 1.14 0.20 0.00 -2.12 0.00 0.00 56.10 55.65 3ml0 s TRP 217 Cb 0.06 -3.64 0.43 0.00 -0.81 0.00 0.00 33.47 29.52 3ml0 s TRP 217 CO 0.14 -2.06 1.62 -0.07 -0.51 0.00 0.00 176.95 176.07 3ml0 h LEU 218 N 5.77 0.00 0.00 2.99 3.38 -1.83 -3.49 115.31 122.13 3ml0 h LEU 218 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3ml0 h LEU 218 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3ml0 h LEU 218 CO 0.80 0.27 0.00 0.61 0.09 0.00 0.00 178.44 180.21 3ml0 n GLY 219 N 0.85 1.71 3.71 0.83 0.00 -1.26 -5.01 105.19 106.02 3ml0 n GLY 219 Ca 0.02 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 3ml0 n GLY 219 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ml0 s ILE 220 N -1.85 4.92 0.73 -0.61 1.01 -1.26 -0.28 121.20 123.86 3ml0 s ILE 220 Ca 0.00 1.87 -0.13 0.00 0.00 0.00 0.00 60.65 62.39 3ml0 s ILE 220 Cb 0.00 -4.23 0.04 0.00 0.01 0.00 0.00 42.46 38.27 3ml0 s ILE 220 CO 0.00 0.18 1.13 -0.54 0.00 0.00 0.00 174.94 175.72 3ml0 s LYS 221 N 0.99 2.32 0.95 2.79 3.01 0.22 -4.85 119.74 125.17 3ml0 s LYS 221 Ca 0.47 1.45 -0.12 0.00 -1.01 0.00 0.00 55.97 56.76 3ml0 s LYS 221 Cb -0.20 -1.89 0.16 0.00 -1.01 0.00 0.00 37.83 34.89 3ml0 s LYS 221 CO 0.25 -1.63 1.11 0.45 0.51 0.00 0.00 175.35 176.03 3ml0 s SER 222 N -2.63 3.11 0.43 2.83 0.15 -1.26 -4.67 113.70 111.67 3ml0 s SER 222 Ca 0.67 1.15 0.23 0.00 0.70 0.00 0.00 55.95 58.70 3ml0 s SER 222 Cb -0.22 -1.79 0.91 0.00 -1.71 0.00 0.00 66.02 63.21 3ml0 s SER 222 CO 0.47 -2.82 1.83 0.15 1.20 0.00 0.00 173.24 174.07 3ml0 h PHE 223 N -1.68 0.00 0.00 3.44 3.57 -1.97 -2.89 116.94 117.41 3ml0 h PHE 223 Ca -0.52 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 60.95 3ml0 h PHE 223 Cb 1.32 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.06 3ml0 h PHE 223 CO 0.31 0.25 -0.13 -0.44 -2.23 0.00 0.00 178.31 176.08 3ml0 h ASP 224 N 0.00 0.00 0.78 0.41 3.32 -2.03 -2.35 116.42 116.55 3ml0 h ASP 224 Ca -0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 3ml0 h ASP 224 Cb 0.74 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 3ml0 h ASP 224 CO 0.03 0.13 -0.54 0.00 -1.72 0.00 0.00 179.24 177.13 3ml0 h ALA 225 N 1.87 0.93 -2.48 3.45 0.00 -1.89 -3.44 119.26 117.71 3ml0 h ALA 225 Ca -0.00 -0.49 -0.53 0.00 0.00 0.00 0.00 54.91 53.88 3ml0 h ALA 225 Cb 0.36 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.08 3ml0 h ALA 225 CO 0.02 0.68 0.95 0.42 0.00 0.00 0.00 179.25 181.32 3ml0 s ILE 226 N -3.51 3.03 0.21 0.00 1.09 -0.89 -4.96 121.20 116.17 3ml0 s ILE 226 Ca -0.00 0.55 -0.31 0.00 -1.10 0.00 0.00 60.65 59.79 3ml0 s ILE 226 Cb 0.12 -3.36 -0.10 0.00 -1.06 0.00 0.00 42.46 38.06 3ml0 s ILE 226 CO 0.74 0.01 1.47 -2.16 -0.10 0.00 0.00 174.94 174.89 3ml0 s PRO 227 N 2.28 4.26 -0.11 2.79 0.04 -1.26 -4.94 135.00 138.06 3ml0 s PRO 227 Ca 0.72 2.28 -0.06 0.00 0.04 0.00 0.00 61.00 63.99 3ml0 s PRO 227 Cb -0.40 -3.14 0.05 0.00 0.04 0.00 0.00 34.50 31.05 3ml0 s PRO 227 CO 0.31 -0.47 0.25 -1.59 0.04 0.00 0.00 177.00 175.54 3ml0 s LYS 228 N 0.27 0.21 -0.15 4.56 -2.85 -1.26 -2.27 119.74 118.25 3ml0 s LYS 228 Ca 0.63 0.52 -0.01 0.00 -1.00 0.00 0.00 55.97 56.12 3ml0 s LYS 228 Cb -0.42 -0.10 0.04 0.00 -2.06 0.00 0.00 37.83 35.29 3ml0 s LYS 228 CO 0.38 -0.15 -0.04 0.00 0.10 0.00 0.00 175.35 175.63 3ml0 s ALA 229 N 1.19 1.35 -0.17 0.59 0.00 0.59 -5.01 121.76 120.30 3ml0 s ALA 229 Ca -0.09 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.16 3ml0 s ALA 229 Cb -0.10 -1.07 0.02 0.00 0.00 0.00 0.00 23.12 21.98 3ml0 s ALA 229 CO -0.08 -0.75 -0.17 -0.47 0.00 0.00 0.00 175.76 174.29 3ml0 s TYR 230 N 1.69 2.59 -0.52 0.00 5.04 -1.26 0.74 117.35 125.62 3ml0 s TYR 230 Ca 0.01 -1.54 -0.17 0.00 -2.44 0.00 0.00 57.07 52.94 3ml0 s TYR 230 Cb -0.15 -1.80 0.02 0.00 0.35 0.00 0.00 41.96 40.38 3ml0 s TYR 230 CO -0.08 -0.76 0.63 0.09 -1.34 0.00 0.00 175.55 174.09 3ml0 n ASN 231 N 4.66 -7.12 -4.78 4.32 5.03 0.21 -4.99 115.26 112.61 3ml0 n ASN 231 Ca -0.19 0.15 -0.35 0.00 0.87 0.00 0.00 54.58 55.06 3ml0 n ASN 231 Cb 0.50 -4.22 -0.00 0.00 -1.02 0.00 0.00 39.78 35.03 3ml0 n ASN 231 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 3ml0 s PRO 232 N -2.83 3.41 0.60 3.52 0.04 -1.26 -4.93 135.00 133.55 3ml0 s PRO 232 Ca 0.22 1.57 0.31 0.00 0.04 0.00 0.00 61.00 63.14 3ml0 s PRO 232 Cb -0.05 -2.02 1.86 0.00 0.04 0.00 0.00 34.50 34.34 3ml0 s PRO 232 CO 0.80 -0.79 2.24 -1.35 0.04 0.00 0.00 177.00 177.94 3ml0 h PRO 233 N 1.22 0.00 0.00 0.56 0.11 -1.95 -1.80 132.00 130.14 3ml0 h PRO 233 Ca -0.50 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 3ml0 h PRO 233 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 3ml0 h PRO 233 CO 0.57 0.00 -0.60 -0.56 -0.21 0.00 0.00 178.00 177.20 3ml0 h GLN 234 N 0.00 0.00 0.00 1.05 3.07 -2.04 -3.48 115.11 113.71 3ml0 h GLN 234 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.76 3ml0 h GLN 234 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.66 3ml0 h GLN 234 CO -0.00 0.60 0.00 0.41 0.09 0.00 0.00 178.83 179.93 3ml0 n GLY 235 N 0.29 0.78 3.34 0.06 0.00 -0.68 -5.00 105.19 103.98 3ml0 n GLY 235 Ca -0.01 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 3ml0 n GLY 235 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ml0 s TYR 236 N -2.00 -0.36 -0.17 1.61 -0.85 -1.26 -1.98 117.35 112.34 3ml0 s TYR 236 Ca 0.00 0.61 0.00 0.00 -0.52 0.00 0.00 57.07 57.16 3ml0 s TYR 236 Cb 0.00 0.21 0.03 0.00 0.38 0.00 0.00 41.96 42.58 3ml0 s TYR 236 CO 0.00 -0.46 -0.12 -0.51 -1.52 0.00 0.00 175.55 172.94 3ml0 s LEU 237 N -1.19 1.91 -0.07 -3.49 1.43 -1.03 -4.84 118.68 111.40 3ml0 s LEU 237 Ca -0.12 -0.65 0.05 0.00 -1.03 0.00 0.00 54.13 52.38 3ml0 s LEU 237 Cb -0.03 -1.18 -0.01 0.00 0.03 0.00 0.00 46.19 44.99 3ml0 s LEU 237 CO 0.06 -0.10 -0.21 -0.69 0.23 0.00 0.00 176.35 175.64 3ml0 s VAL 238 N 1.46 2.38 -0.16 -1.59 1.01 -1.26 -1.31 120.40 120.92 3ml0 s VAL 238 Ca 0.02 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 3ml0 s VAL 238 Cb -0.14 -1.90 0.08 0.00 0.00 0.00 0.00 36.38 34.42 3ml0 s VAL 238 CO -0.10 0.57 0.31 0.21 0.00 0.00 0.00 175.10 176.10 3ml0 s ASN 239 N -0.20 0.19 -0.54 3.32 3.84 -0.54 -5.03 114.94 115.99 3ml0 s ASN 239 Ca -0.02 0.68 0.06 0.00 0.21 0.00 0.00 52.86 53.79 3ml0 s ASN 239 Cb -0.13 0.91 0.23 0.00 -0.55 0.00 0.00 41.25 41.70 3ml0 s ASN 239 CO 0.03 -0.24 0.59 1.87 -2.79 0.00 0.00 177.10 176.56 3ml0 n TRP 240 N 5.36 1.72 -1.13 0.43 -0.00 -1.26 -1.42 117.44 121.15 3ml0 n TRP 240 Ca -0.07 -3.88 -0.08 0.00 -0.00 0.00 0.00 57.50 53.48 3ml0 n TRP 240 Cb 0.50 -0.40 -0.03 0.00 -0.00 0.00 0.00 31.31 31.37 3ml0 n TRP 240 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 3ml0 n ASN 241 N 1.44 -4.86 -2.77 5.87 5.03 -1.18 -4.60 115.26 114.20 3ml0 n ASN 241 Ca 0.26 0.19 0.00 0.00 0.87 0.00 0.00 54.58 55.89 3ml0 n ASN 241 Cb 0.45 -3.51 0.00 0.00 -1.02 0.00 0.00 39.78 35.70 3ml0 n ASN 241 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 3ml0 n ASN 242 N -0.63 -0.25 -4.76 6.41 0.23 -1.26 -5.00 115.26 109.99 3ml0 n ASN 242 Ca -0.08 -0.36 -0.41 0.00 -0.53 0.00 0.00 54.58 53.21 3ml0 n ASN 242 Cb 0.49 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.16 3ml0 n ASN 242 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 3ml0 s LYS 243 N -1.46 4.40 0.04 -3.83 2.20 -1.26 -4.90 119.74 114.94 3ml0 s LYS 243 Ca 0.00 2.13 -0.28 0.00 -0.36 0.00 0.00 55.97 57.46 3ml0 s LYS 243 Cb 0.00 -3.11 -0.15 0.00 -1.51 0.00 0.00 37.83 33.06 3ml0 s LYS 243 CO 0.00 -0.14 1.39 -1.35 -0.36 0.00 0.00 175.35 174.89 3ml0 h PRO 244 N 3.85 -0.96 -2.88 4.03 0.11 -1.95 -3.48 132.00 130.73 3ml0 h PRO 244 Ca -0.48 0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.64 3ml0 h PRO 244 Cb 1.22 0.22 -0.15 0.00 0.11 0.00 0.00 31.00 32.40 3ml0 h PRO 244 CO 0.68 -0.64 0.03 0.00 -0.21 0.00 0.00 178.00 177.86 3ml0 s ALA 245 N -5.17 -1.29 -0.08 -0.75 0.00 -1.26 -5.06 121.76 108.16 3ml0 s ALA 245 Ca -0.15 0.50 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 3ml0 s ALA 245 Cb 0.01 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 3ml0 s ALA 245 CO 0.44 -0.54 1.16 -1.25 0.00 0.00 0.00 175.76 175.56 3ml0 s PRO 246 N -2.72 4.36 0.00 0.00 0.04 -1.26 -3.22 135.00 132.19 3ml0 s PRO 246 Ca -0.04 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.60 3ml0 s PRO 246 Cb -0.00 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.97 3ml0 s PRO 246 CO -0.04 -0.44 0.00 -0.40 0.04 0.00 0.00 177.00 176.16 3ml0 n ASP 247 N 5.26 0.00 -4.52 6.66 5.68 -1.26 -5.12 116.55 123.25 3ml0 n ASP 247 Ca 0.11 0.00 -0.35 0.00 -0.50 0.00 0.00 54.79 54.04 3ml0 n ASP 247 Cb 0.47 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.33 3ml0 n ASP 247 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3ml0 s LYS 248 N 0.00 3.77 0.75 0.11 -0.14 -1.20 -5.10 119.74 117.94 3ml0 s LYS 248 Ca 0.00 -0.44 -0.11 0.00 -1.36 0.00 0.00 55.97 54.07 3ml0 s LYS 248 Cb 0.00 -3.24 0.05 0.00 -1.68 0.00 0.00 37.83 32.96 3ml0 s LYS 248 CO 0.00 0.02 1.09 0.95 -0.76 0.00 0.00 175.35 176.65 3ml0 s THR 249 N 1.04 3.47 0.39 2.17 -4.23 -1.26 -4.97 115.64 112.24 3ml0 s THR 249 Ca 0.04 0.48 -0.26 0.00 -1.18 0.00 0.00 61.69 60.77 3ml0 s THR 249 Cb -0.14 -3.02 -0.09 0.00 1.34 0.00 0.00 72.50 70.59 3ml0 s THR 249 CO 0.03 -0.62 1.25 0.20 -0.54 0.00 0.00 174.62 174.95 3ml0 s ASN 250 N -3.45 6.45 0.88 3.99 0.01 -1.26 -4.99 114.94 116.57 3ml0 s ASN 250 Ca 0.61 2.55 -0.14 0.00 -0.71 0.00 0.00 52.86 55.17 3ml0 s ASN 250 Cb -0.17 -2.63 0.13 0.00 0.41 0.00 0.00 41.25 38.99 3ml0 s ASN 250 CO 0.55 -0.74 1.22 0.42 -1.51 0.00 0.00 177.10 177.04 3ml0 s THR 251 N -1.29 1.99 0.23 1.60 -4.23 -1.05 -4.86 115.64 108.03 3ml0 s THR 251 Ca 0.56 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 61.29 3ml0 s THR 251 Cb -0.36 -2.96 0.21 0.00 1.34 0.00 0.00 72.50 70.72 3ml0 s THR 251 CO 0.46 0.00 1.86 -2.24 -0.54 0.00 0.00 174.62 174.16 3ml0 h ASP 252 N -1.34 0.00 0.00 3.99 3.04 -1.90 -3.31 116.42 116.90 3ml0 h ASP 252 Ca -0.46 0.00 -0.35 0.00 -3.24 0.00 0.00 57.03 52.98 3ml0 h ASP 252 Cb 1.30 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 39.52 3ml0 h ASP 252 CO 0.55 0.26 -2.32 1.07 -2.04 0.00 0.00 179.24 176.76 3ml0 n THR 253 N -3.55 1.32 -4.50 1.15 5.66 -1.26 -4.96 114.28 108.14 3ml0 n THR 253 Ca -0.01 -0.66 -0.34 0.00 -3.05 0.00 0.00 64.05 60.00 3ml0 n THR 253 Cb 0.41 -0.91 -0.12 0.00 -1.55 0.00 0.00 70.33 68.15 3ml0 n THR 253 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 3ml0 s TYR 254 N -2.46 2.99 -0.06 1.09 2.02 -1.25 -5.11 117.35 114.57 3ml0 s TYR 254 Ca -0.20 -0.18 0.01 0.00 -0.37 0.00 0.00 57.07 56.33 3ml0 s TYR 254 Cb 0.07 -1.85 0.02 0.00 -0.40 0.00 0.00 41.96 39.79 3ml0 s TYR 254 CO 0.66 0.11 -0.07 0.71 -1.57 0.00 0.00 175.55 175.39 3ml0 s TYR 255 N -0.13 1.05 0.29 2.71 2.02 -1.26 -2.54 117.35 119.49 3ml0 s TYR 255 Ca 0.02 -0.36 0.11 0.00 -0.37 0.00 0.00 57.07 56.47 3ml0 s TYR 255 Cb -0.13 -0.86 -0.05 0.00 -0.40 0.00 0.00 41.96 40.52 3ml0 s TYR 255 CO 0.03 -0.25 -0.11 -1.58 -1.57 0.00 0.00 175.55 172.07 3ml0 s TRP 256 N 0.93 2.46 0.20 2.71 0.51 -1.26 -5.11 118.94 119.38 3ml0 s TRP 256 Ca -0.11 -0.31 -0.01 0.00 -2.12 0.00 0.00 56.10 53.55 3ml0 s TRP 256 Cb -0.15 -1.13 0.00 0.00 -0.81 0.00 0.00 33.47 31.39 3ml0 s TRP 256 CO 0.01 0.65 0.28 -2.37 -0.51 0.00 0.00 176.95 175.01 3ml0 n THR 257 N -0.76 0.00 0.15 2.01 5.66 -1.26 -5.05 114.28 115.04 3ml0 n THR 257 Ca -0.05 -1.03 0.04 0.00 -3.05 0.00 0.00 64.05 59.96 3ml0 n THR 257 Cb 0.60 0.63 0.47 0.00 -1.55 0.00 0.00 70.33 70.48 3ml0 n THR 257 CO 0.00 0.00 0.00 0.10 -3.05 0.00 0.00 175.07 172.12 3ml0 h TYR 258 N 1.59 0.18 -3.66 1.09 -0.00 -1.98 -3.38 116.97 110.81 3ml0 h TYR 258 Ca -0.16 -0.01 -0.60 0.00 0.00 0.00 0.00 58.73 57.96 3ml0 h TYR 258 Cb 0.69 -0.06 -0.10 0.00 0.00 0.00 0.00 36.73 37.26 3ml0 h TYR 258 CO 0.00 0.25 0.60 0.20 -0.00 0.00 0.00 178.16 179.21 3ml0 s GLY 259 N -4.04 1.47 -0.01 0.10 0.00 -1.26 -5.02 107.32 98.57 3ml0 s GLY 259 Ca -0.05 -0.76 -0.05 0.00 0.00 0.00 0.00 44.72 43.85 3ml0 s GLY 259 CO 0.71 2.05 0.10 -0.35 0.00 0.00 0.00 173.10 175.62 3ml0 s ASP 260 N 2.26 0.02 0.09 1.64 -1.08 -1.26 -5.03 116.67 113.31 3ml0 s ASP 260 Ca 0.38 -0.13 0.10 0.00 -0.52 0.00 0.00 52.55 52.38 3ml0 s ASP 260 Cb -0.10 0.20 0.47 0.00 -1.46 0.00 0.00 42.92 42.03 3ml0 s ASP 260 CO 0.26 -0.26 1.31 -2.11 0.52 0.00 0.00 175.17 174.90 3ml0 n ARG 261 N 1.96 0.05 -0.25 4.34 1.85 -1.26 -2.27 116.66 121.07 3ml0 n ARG 261 Ca -0.20 0.46 -0.03 0.00 -1.00 0.00 0.00 57.85 57.08 3ml0 n ARG 261 Cb 0.57 -1.63 0.13 0.00 -1.05 0.00 0.00 32.46 30.48 3ml0 n ARG 261 CO 0.00 0.00 0.00 1.98 -0.01 0.00 0.00 177.63 179.60 3ml0 h MET 262 N 0.00 1.09 0.00 2.89 4.05 -1.97 -2.94 114.93 118.06 3ml0 h MET 262 Ca 0.00 -0.16 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 3ml0 h MET 262 Cb 0.10 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 30.70 3ml0 h MET 262 CO 0.00 0.85 0.12 -0.91 0.23 0.00 0.00 176.91 177.19 3ml0 h ASN 263 N 1.07 0.00 0.74 1.39 2.35 -1.86 -1.32 115.58 117.96 3ml0 h ASN 263 Ca 0.26 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.90 3ml0 h ASN 263 Cb 0.13 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 3ml0 h ASN 263 CO -0.03 0.00 -0.50 -0.33 -1.65 0.00 0.00 177.43 174.92 3ml0 h GLU 264 N 0.00 0.00 0.06 0.81 4.39 -1.74 -2.57 114.58 115.53 3ml0 h GLU 264 Ca 0.00 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.32 3ml0 h GLU 264 Cb 0.23 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 3ml0 h GLU 264 CO 0.00 0.50 -2.23 1.28 -1.16 0.00 0.00 179.01 177.40 3ml0 n LEU 265 N -3.66 2.76 -0.11 1.33 4.77 -0.53 -4.46 117.00 117.10 3ml0 n LEU 265 Ca -0.01 0.05 -0.06 0.00 -0.03 0.00 0.00 56.01 55.96 3ml0 n LEU 265 Cb 0.57 -1.00 0.11 0.00 -2.33 0.00 0.00 43.42 40.77 3ml0 n LEU 265 CO 0.40 0.87 0.79 0.58 -1.33 0.00 0.00 177.39 178.70 3ml0 h VAL 266 N -0.03 1.26 0.00 4.08 2.07 -1.56 -2.77 116.25 119.30 3ml0 h VAL 266 Ca -0.51 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 65.84 3ml0 h VAL 266 Cb 1.93 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 32.73 3ml0 h VAL 266 CO -0.03 0.40 -0.01 -1.28 0.02 0.00 0.00 177.57 176.68 3ml0 h SER 267 N 0.73 0.00 1.51 0.57 0.87 -1.69 -0.00 113.55 115.55 3ml0 h SER 267 Ca 0.12 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 3ml0 h SER 267 Cb 0.59 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 3ml0 h SER 267 CO 0.04 0.01 0.00 1.56 -0.53 0.00 0.00 176.83 177.91 3ml0 h GLN 268 N 0.00 0.00 0.00 2.24 4.20 -1.71 -3.18 115.11 116.66 3ml0 h GLN 268 Ca -0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 3ml0 h GLN 268 Cb 0.03 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 3ml0 h GLN 268 CO 0.00 0.00 -0.70 1.88 -0.67 0.00 0.00 178.83 179.34 3ml0 h TYR 269 N 0.00 0.00 -0.66 2.96 -1.99 -1.06 -3.33 116.97 112.89 3ml0 h TYR 269 Ca 0.00 0.00 -0.40 0.00 2.00 0.00 0.00 58.73 60.33 3ml0 h TYR 269 Cb 0.76 0.00 -0.20 0.00 2.00 0.00 0.00 36.73 39.29 3ml0 h TYR 269 CO 0.00 0.48 0.51 0.00 -0.00 0.00 0.00 178.16 179.15 3ml0 n GLN 270 N -3.12 1.98 -0.00 4.88 0.00 -1.18 -4.38 117.38 115.55 3ml0 n GLN 270 Ca -0.01 -2.09 -0.02 0.00 0.00 0.00 0.00 57.00 54.88 3ml0 n GLN 270 Cb 0.74 -1.82 -0.01 0.00 0.00 0.00 0.00 30.24 29.15 3ml0 n GLN 270 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 3ml0 n GLN 271 N -0.35 0.14 -3.91 2.61 6.02 -1.25 -5.07 117.38 115.58 3ml0 n GLN 271 Ca 0.41 0.06 -0.22 0.00 -0.01 0.00 0.00 57.00 57.24 3ml0 n GLN 271 Cb 0.94 -0.65 -0.04 0.00 1.02 0.00 0.00 30.24 31.51 3ml0 n GLN 271 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3ml0 s LYS 272 N -1.91 2.71 -0.16 -1.09 1.02 -1.26 -5.07 119.74 113.99 3ml0 s LYS 272 Ca -0.08 -1.28 -0.24 0.00 0.02 0.00 0.00 55.97 54.39 3ml0 s LYS 272 Cb 0.01 -2.45 -0.23 0.00 -0.52 0.00 0.00 37.83 34.63 3ml0 s LYS 272 CO 0.12 0.16 0.52 0.22 -0.92 0.00 0.00 175.35 175.44 3ml0 h ASP 273 N 1.34 0.06 -3.42 2.83 1.82 -1.96 -3.47 116.42 113.62 3ml0 h ASP 273 Ca -0.45 -0.78 -0.68 0.00 -0.39 0.00 0.00 57.03 54.73 3ml0 h ASP 273 Cb 1.25 -0.02 -0.32 0.00 0.68 0.00 0.00 39.33 40.92 3ml0 h ASP 273 CO 0.59 1.29 -0.87 -1.48 -1.61 0.00 0.00 179.24 177.16 3ml0 s LEU 274 N -7.99 2.13 0.01 2.28 2.34 -1.26 -4.85 118.68 111.34 3ml0 s LEU 274 Ca -0.23 -0.54 0.06 0.00 0.06 0.00 0.00 54.13 53.48 3ml0 s LEU 274 Cb 0.02 -1.42 -0.03 0.00 -0.56 0.00 0.00 46.19 44.20 3ml0 s LEU 274 CO 0.66 0.17 -0.18 -0.36 -1.06 0.00 0.00 176.35 175.58 3ml0 s PHE 275 N 0.27 2.56 0.63 3.48 0.08 -0.72 -4.82 117.98 119.47 3ml0 s PHE 275 Ca -0.16 -0.26 -0.11 0.00 0.12 0.00 0.00 56.93 56.52 3ml0 s PHE 275 Cb -0.17 -1.51 -0.02 0.00 -0.57 0.00 0.00 43.02 40.74 3ml0 s PHE 275 CO 0.08 0.19 1.03 -1.54 -0.10 0.00 0.00 175.22 174.88 3ml0 s SER 276 N -1.12 5.99 0.27 1.36 1.04 -1.26 -1.90 113.70 118.08 3ml0 s SER 276 Ca 0.13 1.28 -0.02 0.00 0.48 0.00 0.00 55.95 57.82 3ml0 s SER 276 Cb -0.10 -2.28 0.46 0.00 0.10 0.00 0.00 66.02 64.19 3ml0 s SER 276 CO 0.03 -0.99 1.84 0.58 0.98 0.00 0.00 173.24 175.69 3ml0 h VAL 277 N -0.37 0.98 -0.44 5.02 2.07 -1.99 -1.02 116.25 120.50 3ml0 h VAL 277 Ca -0.45 -0.34 -0.08 0.00 0.82 0.00 0.00 66.70 66.65 3ml0 h VAL 277 Cb 1.21 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3ml0 h VAL 277 CO 0.62 0.18 -0.06 -0.61 0.02 0.00 0.00 177.57 177.73 3ml0 h GLN 278 N 1.00 0.75 -0.42 1.57 5.75 -1.99 -2.37 115.11 119.40 3ml0 h GLN 278 Ca 0.45 -0.22 -0.09 0.00 -0.15 0.00 0.00 58.65 58.63 3ml0 h GLN 278 Cb 0.34 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 3ml0 h GLN 278 CO -0.23 0.80 -0.09 0.93 -2.65 0.00 0.00 178.83 177.59 3ml0 h GLU 279 N 0.70 0.81 -0.15 1.69 5.08 -1.61 -2.32 114.58 118.78 3ml0 h GLU 279 Ca 0.13 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 3ml0 h GLU 279 Cb 0.51 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3ml0 h GLU 279 CO 0.03 0.92 -0.19 0.82 -1.00 0.00 0.00 179.01 179.59 3ml0 h ILE 280 N 0.63 1.21 -0.02 3.13 2.04 -1.17 -1.70 117.51 121.63 3ml0 h ILE 280 Ca 0.11 -0.96 -0.10 0.00 1.00 0.00 0.00 64.86 64.90 3ml0 h ILE 280 Cb 0.62 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 3ml0 h ILE 280 CO 0.04 0.29 -0.48 -0.25 0.00 0.00 0.00 178.15 177.75 3ml0 h TRP 281 N 0.23 0.05 -0.08 1.37 2.91 -1.31 -3.01 115.95 116.11 3ml0 h TRP 281 Ca 0.04 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.05 3ml0 h TRP 281 Cb 0.48 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.12 3ml0 h TRP 281 CO 0.01 0.52 0.00 0.39 -1.03 0.00 0.00 178.44 178.32 3ml0 n GLU 282 N -3.97 1.19 0.08 2.65 1.02 -0.65 -3.24 120.64 117.72 3ml0 n GLU 282 Ca -0.02 -0.30 -0.06 0.00 -0.02 0.00 0.00 57.16 56.77 3ml0 n GLU 282 Cb 0.51 -1.11 0.08 0.00 -0.02 0.00 0.00 31.44 30.90 3ml0 n GLU 282 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 3ml0 h PHE 283 N 0.50 0.32 0.00 -0.32 -1.00 -1.44 -3.09 116.94 111.91 3ml0 h PHE 283 Ca 0.00 -0.14 -0.06 0.00 2.81 0.00 0.00 57.97 60.58 3ml0 h PHE 283 Cb 0.11 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 3ml0 h PHE 283 CO 0.05 0.84 -0.28 -0.97 -1.61 0.00 0.00 178.31 176.34 3ml0 h ASN 284 N 0.17 0.00 -0.35 2.17 -1.24 -1.78 -2.81 115.58 111.74 3ml0 h ASN 284 Ca -0.02 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.98 3ml0 h ASN 284 Cb 1.21 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.24 3ml0 h ASN 284 CO 0.10 0.28 0.16 -0.61 -1.29 0.00 0.00 177.43 176.08 3ml0 h GLN 285 N 0.00 0.51 0.20 6.67 5.75 -1.73 -3.03 115.11 123.47 3ml0 h GLN 285 Ca -0.00 -0.08 -0.33 0.00 -0.15 0.00 0.00 58.65 58.09 3ml0 h GLN 285 Cb 0.81 -0.09 0.02 0.00 1.07 0.00 0.00 27.48 29.29 3ml0 h GLN 285 CO 0.04 0.47 -1.54 0.87 -2.65 0.00 0.00 178.83 176.01 3ml0 h LYS 286 N 0.43 0.42 0.00 1.69 1.79 -1.64 -3.35 116.57 115.90 3ml0 h LYS 286 Ca 0.12 -0.71 0.00 0.00 -2.18 0.00 0.00 60.65 57.88 3ml0 h LYS 286 Cb 0.13 0.27 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 3ml0 h LYS 286 CO -0.01 1.32 0.00 0.00 -1.08 0.00 0.00 179.45 179.68 3ml0 h ALA 287 N 0.25 1.00 0.06 3.86 0.00 -1.55 -2.02 119.26 120.86 3ml0 h ALA 287 Ca -0.27 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.44 3ml0 h ALA 287 Cb 2.10 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.91 3ml0 h ALA 287 CO 0.22 0.00 -0.84 0.77 0.00 0.00 0.00 179.25 179.40 3ml0 h SER 288 N 0.00 0.64 0.22 0.00 0.02 -1.66 -3.36 113.55 109.41 3ml0 h SER 288 Ca 0.00 -0.82 0.00 0.00 -0.84 0.00 0.00 61.79 60.13 3ml0 h SER 288 Cb 0.35 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3ml0 h SER 288 CO 0.00 1.38 -0.87 -1.22 -1.14 0.00 0.00 176.83 174.98 3ml0 n TYR 289 N -4.06 0.03 -2.55 3.45 4.01 -1.15 -2.39 117.16 114.50 3ml0 n TYR 289 Ca -0.12 0.01 -0.39 0.00 -0.16 0.00 0.00 57.90 57.24 3ml0 n TYR 289 Cb 0.80 -0.15 -0.04 0.00 -0.31 0.00 0.00 39.34 39.63 3ml0 n TYR 289 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3ml0 s SER 290 N -3.16 7.11 0.29 7.72 1.04 -0.77 -2.16 113.70 123.77 3ml0 s SER 290 Ca 0.08 2.12 -0.29 0.00 0.48 0.00 0.00 55.95 58.34 3ml0 s SER 290 Cb 0.16 -2.61 -0.09 0.00 0.10 0.00 0.00 66.02 63.58 3ml0 s SER 290 CO 0.81 -0.25 1.08 -0.62 0.98 0.00 0.00 173.24 175.24 3ml0 s ASP 291 N -1.22 7.24 -0.10 7.02 -1.08 -0.88 -4.97 116.67 122.68 3ml0 s ASP 291 Ca 0.50 2.22 -0.27 0.00 -0.52 0.00 0.00 52.55 54.47 3ml0 s ASP 291 Cb -0.27 -2.62 -0.25 0.00 -1.46 0.00 0.00 42.92 38.32 3ml0 s ASP 291 CO 0.34 -0.16 0.89 0.58 0.52 0.00 0.00 175.17 177.34 3ml0 h VAL 292 N 3.00 1.68 -1.92 1.11 2.07 -1.95 -3.38 116.25 116.87 3ml0 h VAL 292 Ca -0.47 -2.14 -0.75 0.00 0.82 0.00 0.00 66.70 64.16 3ml0 h VAL 292 Cb 1.21 3.12 -0.25 0.00 -1.52 0.00 0.00 31.29 33.85 3ml0 h VAL 292 CO 0.66 0.56 1.11 -0.46 0.02 0.00 0.00 177.57 179.47 3ml0 n ASN 293 N -4.59 7.41 0.00 0.57 0.23 -1.26 -4.41 115.26 113.20 3ml0 n ASN 293 Ca -0.10 -3.65 0.00 0.00 -0.53 0.00 0.00 54.58 50.30 3ml0 n ASN 293 Cb 0.48 -1.15 0.00 0.00 -2.08 0.00 0.00 39.78 37.02 3ml0 n ASN 293 CO 0.00 0.00 0.00 1.87 -0.93 0.00 0.00 177.26 178.20 3ml0 n TRP 294 N 0.01 0.00 0.27 -2.53 -0.00 -1.26 -4.63 117.44 109.30 3ml0 n TRP 294 Ca 0.52 0.00 0.14 0.00 -0.00 0.00 0.00 57.50 58.15 3ml0 n TRP 294 Cb 0.28 0.00 0.75 0.00 -0.00 0.00 0.00 31.31 32.34 3ml0 n TRP 294 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3ml0 h ARG 295 N 0.00 0.00 0.00 5.87 3.08 -1.85 -2.72 114.38 118.76 3ml0 h ARG 295 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3ml0 h ARG 295 Cb 0.92 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 3ml0 h ARG 295 CO 0.00 0.10 -2.00 0.66 -1.07 0.00 0.00 179.97 177.66 3ml0 n TYR 296 N -3.55 0.00 0.02 3.04 4.01 -1.26 -4.35 117.16 115.07 3ml0 n TYR 296 Ca -0.02 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.77 3ml0 n TYR 296 Cb 0.23 -0.54 -0.10 0.00 -0.31 0.00 0.00 39.34 38.62 3ml0 n TYR 296 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3ml0 n PHE 297 N -2.29 0.59 -0.21 -0.72 3.72 -1.20 -4.35 117.46 112.99 3ml0 n PHE 297 Ca -0.08 0.19 -0.07 0.00 -0.05 0.00 0.00 57.45 57.44 3ml0 n PHE 297 Cb 0.63 -0.89 0.03 0.00 -0.94 0.00 0.00 39.48 38.30 3ml0 n PHE 297 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3ml0 h ARG 298 N 0.00 0.83 0.00 -1.08 2.43 -1.68 -1.76 114.38 113.12 3ml0 h ARG 298 Ca -0.14 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 58.87 3ml0 h ARG 298 Cb 1.39 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 3ml0 h ARG 298 CO 0.02 0.66 -0.27 -1.35 -1.51 0.00 0.00 179.97 177.52 3ml0 h PRO 299 N 0.80 0.00 -0.02 0.20 0.11 -1.79 -2.18 132.00 129.11 3ml0 h PRO 299 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3ml0 h PRO 299 Cb 0.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.19 3ml0 h PRO 299 CO -0.03 0.27 0.00 0.72 -0.21 0.00 0.00 178.00 178.75 3ml0 n HIS 300 N -3.96 0.03 0.12 0.65 8.25 -0.74 -3.25 115.22 116.32 3ml0 n HIS 300 Ca -0.02 -0.01 0.02 0.00 -0.26 0.00 0.00 57.72 57.45 3ml0 n HIS 300 Cb 0.34 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.43 3ml0 n HIS 300 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ml0 n LEU 301 N -0.64 0.12 -0.09 2.41 4.77 -0.76 -4.68 117.00 118.13 3ml0 n LEU 301 Ca 0.16 -0.35 -0.15 0.00 -0.03 0.00 0.00 56.01 55.65 3ml0 n LEU 301 Cb 0.12 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 3ml0 n LEU 301 CO 0.12 0.03 0.45 -0.33 -1.33 0.00 0.00 177.39 176.34 3ml0 h GLU 302 N 0.00 0.90 0.00 3.23 5.08 -1.42 -2.96 114.58 119.41 3ml0 h GLU 302 Ca 0.00 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 3ml0 h GLU 302 Cb 0.11 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3ml0 h GLU 302 CO 0.00 1.19 0.00 0.36 -1.00 0.00 0.00 179.01 179.56 3ml0 n LYS 303 N -4.02 0.87 -0.00 2.33 2.85 -1.26 -3.94 118.16 114.99 3ml0 n LYS 303 Ca -0.04 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.22 3ml0 n LYS 303 Cb 0.62 -1.09 -0.00 0.00 -0.65 0.00 0.00 35.03 33.91 3ml0 n LYS 303 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 3ml0 h LEU 304 N 0.00 0.00 -1.64 -5.58 7.12 -1.81 -3.37 115.31 110.03 3ml0 h LEU 304 Ca 0.00 0.00 0.44 0.00 0.13 0.00 0.00 57.88 58.45 3ml0 h LEU 304 Cb 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 40.66 40.03 3ml0 h LEU 304 CO 0.00 0.02 0.98 0.00 -0.13 0.00 0.00 178.44 179.31 3ml0 h ALA 305 N -1.97 3.04 -3.11 1.25 0.00 -1.71 -3.18 119.26 113.57 3ml0 h ALA 305 Ca 0.00 0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.73 3ml0 h ALA 305 Cb 0.01 0.16 -0.22 0.00 0.00 0.00 0.00 17.79 17.74 3ml0 h ALA 305 CO 0.00 -1.59 -0.72 1.14 0.00 0.00 0.00 179.25 178.08 3ml0 s GLN 306 N -5.15 0.38 0.00 0.00 -2.07 -1.26 -2.99 119.66 108.57 3ml0 s GLN 306 Ca -0.07 -0.62 0.00 0.00 -1.82 0.00 0.00 55.36 52.85 3ml0 s GLN 306 Cb 0.28 -0.06 0.00 0.00 -1.09 0.00 0.00 33.01 32.14 3ml0 s GLN 306 CO 0.84 -0.01 0.63 1.04 -1.32 0.00 0.00 175.29 176.47 3ml0 n GLN 307 N 1.66 0.84 -1.69 9.60 6.02 -1.26 -4.43 117.38 128.11 3ml0 n GLN 307 Ca -0.23 0.00 -0.63 0.00 -0.01 0.00 0.00 57.00 56.14 3ml0 n GLN 307 Cb 0.55 -1.21 -0.09 0.00 1.02 0.00 0.00 30.24 30.52 3ml0 n GLN 307 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3ml0 n LEU 308 N -0.21 1.40 -4.62 1.08 7.94 -1.16 -4.78 117.00 116.65 3ml0 n LEU 308 Ca 0.00 1.15 -0.47 0.00 -1.11 0.00 0.00 56.01 55.57 3ml0 n LEU 308 Cb 0.10 -0.98 -0.04 0.00 0.53 0.00 0.00 43.42 43.04 3ml0 n LEU 308 CO 0.00 -0.89 0.87 -2.65 -1.11 0.00 0.00 177.39 173.61 3ml0 n PRO 309 N 3.93 1.54 -0.94 1.96 -0.02 -1.26 -4.84 135.00 135.38 3ml0 n PRO 309 Ca 0.27 0.55 -0.11 0.00 -2.02 0.00 0.00 63.50 62.20 3ml0 n PRO 309 Cb 0.03 -2.14 -0.13 0.00 -0.02 0.00 0.00 33.50 31.24 3ml0 n PRO 309 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ml0 n ALA 310 N 1.86 5.93 1.27 3.55 0.00 -1.26 -4.39 120.51 127.47 3ml0 n ALA 310 Ca 0.14 -1.56 0.05 0.00 0.00 0.00 0.00 53.44 52.07 3ml0 n ALA 310 Cb 0.27 -2.05 0.17 0.00 0.00 0.00 0.00 19.45 17.83 3ml0 n ALA 310 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ml0 n ASP 311 N 2.19 1.27 -3.54 0.00 9.92 -1.26 -4.92 116.55 120.20 3ml0 n ASP 311 Ca 0.35 -1.93 -0.19 0.00 -0.53 0.00 0.00 54.79 52.49 3ml0 n ASP 311 Cb 0.82 -0.15 0.06 0.00 -0.64 0.00 0.00 41.12 41.21 3ml0 n ASP 311 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3ml0 n ASP 312 N 0.17 -2.40 -3.16 -2.24 8.00 -1.26 -5.00 116.55 110.66 3ml0 n ASP 312 Ca 0.09 -0.74 -0.18 0.00 0.71 0.00 0.00 54.79 54.68 3ml0 n ASP 312 Cb 0.21 -4.59 -0.06 0.00 -0.02 0.00 0.00 41.12 36.67 3ml0 n ASP 312 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3ml0 s SER 313 N -4.20 0.34 -0.19 -2.24 1.04 -1.26 -4.79 113.70 102.40 3ml0 s SER 313 Ca 0.08 -2.50 -0.16 0.00 0.48 0.00 0.00 55.95 53.85 3ml0 s SER 313 Cb -0.02 0.48 -0.07 0.00 0.10 0.00 0.00 66.02 66.51 3ml0 s SER 313 CO 0.77 -0.13 -0.30 -1.54 0.98 0.00 0.00 173.24 173.02 3ml0 n SER 314 N 2.95 1.92 0.00 7.02 3.41 -1.26 -5.07 113.62 122.59 3ml0 n SER 314 Ca 0.25 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 3ml0 n SER 314 Cb 0.51 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 3ml0 n SER 314 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3ml0 n LYS 315 N -4.46 -1.05 -0.03 4.33 4.81 -1.26 -4.77 118.16 115.74 3ml0 n LYS 315 Ca -0.19 0.20 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 3ml0 n LYS 315 Cb 0.53 -4.07 -0.10 0.00 0.02 0.00 0.00 35.03 31.41 3ml0 n LYS 315 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ml0 h ALA 316 N 0.00 0.06 0.00 3.14 0.00 -1.97 -3.25 119.26 117.24 3ml0 h ALA 316 Ca 0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 3ml0 h ALA 316 Cb 0.40 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3ml0 h ALA 316 CO 0.00 0.04 -1.77 0.00 0.00 0.00 0.00 179.25 177.52 3ml0 n ALA 317 N -2.49 2.46 -0.26 0.00 0.00 -1.26 -4.34 120.51 114.62 3ml0 n ALA 317 Ca -0.09 -0.58 -0.04 0.00 0.00 0.00 0.00 53.44 52.73 3ml0 n ALA 317 Cb 0.44 -0.77 0.11 0.00 0.00 0.00 0.00 19.45 19.23 3ml0 n ALA 317 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3ml0 h LEU 318 N 0.00 1.02 -0.68 0.00 5.85 -1.94 0.17 115.31 119.72 3ml0 h LEU 318 Ca -0.10 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 3ml0 h LEU 318 Cb 1.25 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 3ml0 h LEU 318 CO 0.01 0.90 -0.21 0.00 -0.34 0.00 0.00 178.44 178.80 3ml0 h THR 319 N 1.09 0.43 0.16 1.05 1.03 -1.76 -3.25 112.91 111.66 3ml0 h THR 319 Ca 0.25 -1.26 -0.28 0.00 -0.01 0.00 0.00 66.41 65.12 3ml0 h THR 319 Cb 0.19 1.93 0.01 0.00 -1.07 0.00 0.00 68.15 69.21 3ml0 h THR 319 CO -0.02 0.21 -1.32 -0.03 -0.01 0.00 0.00 175.52 174.34 3ml0 h MET 320 N 0.00 0.34 -0.04 0.00 1.85 -1.61 -3.30 114.93 112.18 3ml0 h MET 320 Ca -0.00 -0.59 0.01 0.00 -0.61 0.00 0.00 59.70 58.51 3ml0 h MET 320 Cb 0.91 0.22 -0.00 0.00 0.43 0.00 0.00 31.60 33.16 3ml0 h MET 320 CO 0.03 1.28 0.38 -0.07 -0.40 0.00 0.00 176.91 178.12 3ml0 h LEU 321 N -0.17 0.00 -0.48 3.39 4.07 -1.01 0.47 115.31 121.58 3ml0 h LEU 321 Ca -0.26 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.55 3ml0 h LEU 321 Cb 1.87 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.59 3ml0 h LEU 321 CO 0.15 0.00 -0.70 -0.07 -1.08 0.00 0.00 178.44 176.74 3ml0 h LEU 322 N 0.00 0.00 -0.08 1.67 -0.00 -1.65 -2.98 115.31 112.28 3ml0 h LEU 322 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 3ml0 h LEU 322 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.43 3ml0 h LEU 322 CO -0.00 0.70 0.00 0.00 -0.00 0.00 0.00 178.44 179.14 3ml0 n ALA 323 N -2.36 2.50 -2.70 1.53 0.00 0.16 -4.79 120.51 114.84 3ml0 n ALA 323 Ca -0.00 -0.03 -0.38 0.00 0.00 0.00 0.00 53.44 53.03 3ml0 n ALA 323 Cb 0.71 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.10 3ml0 n ALA 323 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3ml0 s TRP 324 N -1.96 3.47 -1.50 0.00 -0.00 -1.13 -4.96 118.94 112.87 3ml0 s TRP 324 Ca 0.01 0.84 0.28 0.00 -0.00 0.00 0.00 56.10 57.24 3ml0 s TRP 324 Cb 0.01 -2.58 1.17 0.00 -0.00 0.00 0.00 33.47 32.07 3ml0 s TRP 324 CO 0.01 0.09 1.83 -0.40 -0.00 0.00 0.00 176.95 178.49 3ml0 n ASP 325 N 3.98 0.40 -1.87 5.86 5.75 -1.26 -4.95 116.55 124.46 3ml0 n ASP 325 Ca -0.07 -0.40 -0.02 0.00 -0.01 0.00 0.00 54.79 54.29 3ml0 n ASP 325 Cb 0.51 -0.10 0.01 0.00 -1.03 0.00 0.00 41.12 40.51 3ml0 n ASP 325 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ml0 n GLY 326 N 1.33 0.24 3.33 6.12 0.00 -1.26 -4.93 105.19 110.02 3ml0 n GLY 326 Ca 0.13 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 3ml0 n GLY 326 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ml0 s MET 327 N -3.23 0.62 -0.08 1.61 0.00 -1.26 -2.06 119.30 114.90 3ml0 s MET 327 Ca 0.08 0.36 -0.30 0.00 0.00 0.00 0.00 55.69 55.83 3ml0 s MET 327 Cb -0.01 0.29 -0.02 0.00 0.00 0.00 0.00 34.83 35.09 3ml0 s MET 327 CO 0.16 -0.13 1.06 -1.21 0.00 0.00 0.00 175.02 174.91 3ml0 s GLU 328 N -0.35 4.42 -0.26 4.11 2.02 -0.92 -4.99 118.70 122.73 3ml0 s GLU 328 Ca -0.05 1.48 0.02 0.00 0.02 0.00 0.00 54.97 56.44 3ml0 s GLU 328 Cb -0.03 -3.53 0.07 0.00 0.10 0.00 0.00 34.13 30.73 3ml0 s GLU 328 CO 0.03 -0.32 -0.05 -0.65 0.02 0.00 0.00 175.26 174.28 3ml0 s GLN 329 N 1.94 1.74 0.32 1.61 -1.52 -1.26 -5.04 119.66 117.45 3ml0 s GLN 329 Ca 0.51 -1.20 -0.16 0.00 -1.95 0.00 0.00 55.36 52.56 3ml0 s GLN 329 Cb -0.21 -2.72 -0.09 0.00 -0.22 0.00 0.00 33.01 29.78 3ml0 s GLN 329 CO 0.20 -0.65 0.75 0.16 -0.25 0.00 0.00 175.29 175.51 3ml0 s ASP 330 N 1.26 6.82 0.00 5.90 -4.77 -1.26 0.13 116.67 124.75 3ml0 s ASP 330 Ca -0.04 1.32 0.00 0.00 -3.30 0.00 0.00 52.55 50.53 3ml0 s ASP 330 Cb -0.19 -2.39 0.00 0.00 -1.09 0.00 0.00 42.92 39.25 3ml0 s ASP 330 CO -0.07 -0.19 0.00 1.67 0.70 0.00 0.00 175.17 177.28 3ml0 n GLN 331 N -0.27 0.00 0.05 2.11 7.27 -1.05 -4.72 117.38 120.77 3ml0 n GLN 331 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.10 3ml0 n GLN 331 Cb 0.53 -0.40 0.00 0.00 2.41 0.00 0.00 30.24 32.77 3ml0 n GLN 331 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3ml0 n GLY 332 N 0.40 -0.03 3.26 1.69 0.00 -1.26 -5.07 105.19 104.18 3ml0 n GLY 332 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3ml0 n GLY 332 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ml0 s GLY 333 N -3.92 -0.11 -0.04 -0.02 0.00 -1.26 -5.13 107.32 96.84 3ml0 s GLY 333 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 44.72 44.46 3ml0 s GLY 333 CO 0.00 -0.45 0.06 -1.06 0.00 0.00 0.00 173.10 171.65 3ml0 n GLN 334 N 0.05 -1.40 -2.94 2.90 3.00 -1.22 -2.54 117.38 115.23 3ml0 n GLN 334 Ca -0.16 1.40 -0.41 0.00 -0.01 0.00 0.00 57.00 57.82 3ml0 n GLN 334 Cb 0.62 -2.09 -0.04 0.00 0.00 0.00 0.00 30.24 28.73 3ml0 n GLN 334 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 3ml0 s ASN 335 N -0.19 7.06 -0.90 1.08 3.84 -0.29 -2.52 114.94 123.02 3ml0 s ASN 335 Ca -0.07 1.28 -0.24 0.00 0.21 0.00 0.00 52.86 54.04 3ml0 s ASN 335 Cb 0.00 -2.45 -0.00 0.00 -0.55 0.00 0.00 41.25 38.25 3ml0 s ASN 335 CO 0.18 -0.22 1.71 0.00 -2.79 0.00 0.00 177.10 175.98 3ml0 s ALA 336 N 1.19 2.17 0.00 1.71 0.00 0.34 -4.59 121.76 122.58 3ml0 s ALA 336 Ca 0.41 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.69 3ml0 s ALA 336 Cb -0.18 -4.50 0.00 0.00 0.00 0.00 0.00 23.12 18.44 3ml0 s ALA 336 CO 0.19 -4.18 0.00 0.41 0.00 0.00 0.00 175.76 172.18 3ml0 n GLY 337 N 6.63 3.86 0.81 0.00 0.00 -1.26 -4.75 105.19 110.48 3ml0 n GLY 337 Ca 0.33 -1.37 0.04 0.00 0.00 0.00 0.00 46.02 45.02 3ml0 n GLY 337 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ml0 n PRO 338 N -0.29 2.14 -0.02 1.61 -0.04 -1.23 -4.32 135.00 132.85 3ml0 n PRO 338 Ca 0.00 -1.17 -0.16 0.00 -0.04 0.00 0.00 63.50 62.13 3ml0 n PRO 338 Cb 0.00 -1.53 -0.11 0.00 -0.04 0.00 0.00 33.50 31.82 3ml0 n PRO 338 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ml0 h ALA 339 N 3.16 0.04 -0.20 0.55 0.00 -1.92 -2.88 119.26 118.01 3ml0 h ALA 339 Ca 0.00 -0.49 -0.14 0.00 0.00 0.00 0.00 54.91 54.27 3ml0 h ALA 339 Cb 0.76 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3ml0 h ALA 339 CO 0.10 0.15 -0.47 -0.09 0.00 0.00 0.00 179.25 178.94 3ml0 h ARG 340 N -0.42 0.53 -0.45 0.00 2.43 -1.95 -2.15 114.38 112.36 3ml0 h ARG 340 Ca -0.04 -0.29 -0.06 0.00 -0.81 0.00 0.00 59.98 58.77 3ml0 h ARG 340 Cb 1.08 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 3ml0 h ARG 340 CO 0.07 0.89 0.04 0.28 -1.51 0.00 0.00 179.97 179.73 3ml0 h VAL 341 N 0.42 1.25 -0.33 0.20 2.07 -1.82 -0.69 116.25 117.36 3ml0 h VAL 341 Ca 0.02 -0.96 -0.15 0.00 0.82 0.00 0.00 66.70 66.44 3ml0 h VAL 341 Cb 0.98 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 3ml0 h VAL 341 CO 0.09 0.33 -0.39 0.25 0.02 0.00 0.00 177.57 177.87 3ml0 h LEU 342 N 0.61 0.84 -0.83 2.57 7.12 -1.50 -2.70 115.31 121.42 3ml0 h LEU 342 Ca 0.13 -0.38 -0.12 0.00 0.13 0.00 0.00 57.88 57.64 3ml0 h LEU 342 Cb 0.43 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 40.31 3ml0 h LEU 342 CO 0.01 1.13 -0.44 0.15 -0.13 0.00 0.00 178.44 179.16 3ml0 h PHE 343 N 0.65 0.37 -0.01 1.25 3.57 -1.26 -1.19 116.94 120.31 3ml0 h PHE 343 Ca 0.05 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 3ml0 h PHE 343 Cb 0.95 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 3ml0 h PHE 343 CO 0.05 0.70 -0.00 -0.22 -2.23 0.00 0.00 178.31 176.61 3ml0 h LYS 344 N 0.25 0.02 0.00 1.11 3.64 -1.08 -2.80 116.57 117.71 3ml0 h LYS 344 Ca 0.02 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3ml0 h LYS 344 Cb 0.89 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.70 3ml0 h LYS 344 CO 0.07 0.36 -0.16 1.79 -2.27 0.00 0.00 179.45 179.24 3ml0 h THR 345 N -0.33 0.41 -0.21 1.00 1.35 -1.45 -2.66 112.91 111.02 3ml0 h THR 345 Ca 0.00 -0.94 -0.07 0.00 -0.55 0.00 0.00 66.41 64.86 3ml0 h THR 345 Cb 0.35 1.68 -0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3ml0 h THR 345 CO 0.00 0.16 -0.13 -0.25 -0.25 0.00 0.00 175.52 175.05 3ml0 h TRP 346 N 0.00 0.53 -0.60 4.73 7.01 -1.19 -2.63 115.95 123.80 3ml0 h TRP 346 Ca -0.00 -0.14 -0.06 0.00 2.11 0.00 0.00 58.89 60.79 3ml0 h TRP 346 Cb 0.67 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.59 3ml0 h TRP 346 CO 0.00 0.76 0.13 -0.07 -2.79 0.00 0.00 178.44 176.47 3ml0 h LEU 347 N 0.15 0.90 -1.21 0.65 3.38 -1.35 -1.95 115.31 115.88 3ml0 h LEU 347 Ca 0.04 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3ml0 h LEU 347 Cb 0.64 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3ml0 h LEU 347 CO 0.04 0.88 0.12 -0.33 0.09 0.00 0.00 178.44 179.24 3ml0 h GLU 348 N 0.91 0.67 0.00 1.13 5.08 -1.47 -2.13 114.58 118.76 3ml0 h GLU 348 Ca 0.19 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 3ml0 h GLU 348 Cb 0.35 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3ml0 h GLU 348 CO 0.00 0.60 -0.41 0.93 -1.00 0.00 0.00 179.01 179.13 3ml0 h GLU 349 N 0.65 0.00 -0.06 2.33 4.39 -1.22 -3.23 114.58 117.43 3ml0 h GLU 349 Ca 0.15 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.75 3ml0 h GLU 349 Cb 0.23 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3ml0 h GLU 349 CO -0.00 0.41 -0.44 0.52 -1.16 0.00 0.00 179.01 178.34 3ml0 h MET 350 N 0.00 0.14 -0.07 2.33 2.86 -0.69 -2.57 114.93 116.93 3ml0 h MET 350 Ca -0.00 -0.07 -0.15 0.00 -2.06 0.00 0.00 59.70 57.42 3ml0 h MET 350 Cb 1.21 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.86 3ml0 h MET 350 CO 0.05 0.55 -0.62 1.88 1.06 0.00 0.00 176.91 179.84 3ml0 h TYR 351 N 0.12 0.34 -0.23 -0.22 0.05 -1.51 -2.79 116.97 112.73 3ml0 h TYR 351 Ca 0.01 -0.13 -0.13 0.00 0.05 0.00 0.00 58.73 58.52 3ml0 h TYR 351 Cb 0.82 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.49 3ml0 h TYR 351 CO 0.01 0.81 -0.42 0.87 -1.05 0.00 0.00 178.16 178.38 3ml0 h LYS 352 N 0.19 0.54 0.10 4.88 1.57 -1.53 0.20 116.57 122.52 3ml0 h LYS 352 Ca -0.01 -0.28 -0.28 0.00 -1.87 0.00 0.00 60.65 58.21 3ml0 h LYS 352 Cb 1.14 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 3ml0 h LYS 352 CO 0.10 0.87 -1.33 1.96 -0.57 0.00 0.00 179.45 180.48 3ml0 h GLN 353 N 0.45 0.21 0.00 3.15 1.08 -1.48 -3.40 115.11 115.12 3ml0 h GLN 353 Ca 0.04 -0.36 -0.15 0.00 -1.45 0.00 0.00 58.65 56.73 3ml0 h GLN 353 Cb 0.92 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.47 3ml0 h GLN 353 CO 0.08 1.12 -1.29 0.28 -0.95 0.00 0.00 178.83 178.07 3ml0 n VAL 354 N -3.46 1.13 0.03 -0.54 0.31 -1.05 -4.81 118.33 109.94 3ml0 n VAL 354 Ca -0.10 -0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.02 3ml0 n VAL 354 Cb 1.02 -1.87 -0.14 0.00 -0.91 0.00 0.00 33.84 31.94 3ml0 n VAL 354 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3ml0 h LEU 355 N -0.58 0.42 -1.41 7.52 3.38 -1.48 -3.37 115.31 119.79 3ml0 h LEU 355 Ca -0.22 -0.91 0.06 0.00 0.09 0.00 0.00 57.88 56.90 3ml0 h LEU 355 Cb 1.00 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 3ml0 h LEU 355 CO -0.13 1.46 0.46 0.24 0.09 0.00 0.00 178.44 180.56 3ml0 h MET 356 N -0.37 0.70 -0.29 1.13 2.86 -1.20 0.19 114.93 117.94 3ml0 h MET 356 Ca -0.20 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.35 3ml0 h MET 356 Cb 1.67 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 33.15 3ml0 h MET 356 CO 0.11 0.46 -0.05 -1.35 1.06 0.00 0.00 176.91 177.15 3ml0 h PRO 357 N 0.72 0.46 0.03 -0.22 0.11 -1.79 -3.31 132.00 128.01 3ml0 h PRO 357 Ca 0.30 -0.11 -0.34 0.00 0.11 0.00 0.00 66.00 65.96 3ml0 h PRO 357 Cb 0.26 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 31.25 3ml0 h PRO 357 CO -0.10 0.53 -2.04 1.33 -0.21 0.00 0.00 178.00 177.51 3ml0 n VAL 358 N -4.27 1.59 -2.53 3.15 0.24 -0.72 -4.91 118.33 110.88 3ml0 n VAL 358 Ca 0.01 -0.74 -0.42 0.00 -2.04 0.00 0.00 64.34 61.15 3ml0 n VAL 358 Cb 0.26 -1.14 -0.03 0.00 -1.47 0.00 0.00 33.84 31.46 3ml0 n VAL 358 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3ml0 s VAL 359 N -2.55 4.36 1.07 3.34 1.01 0.58 -5.03 120.40 123.17 3ml0 s VAL 359 Ca -0.15 1.69 -0.12 0.00 0.00 0.00 0.00 61.98 63.40 3ml0 s VAL 359 Cb 0.07 -4.08 0.23 0.00 0.00 0.00 0.00 36.38 32.60 3ml0 s VAL 359 CO 0.78 0.10 1.08 -2.84 0.00 0.00 0.00 175.10 174.22 3ml0 s PRO 360 N 1.33 -0.19 0.27 2.72 0.02 -1.26 -4.81 135.00 133.08 3ml0 s PRO 360 Ca 0.56 1.19 -0.02 0.00 0.02 0.00 0.00 61.00 62.75 3ml0 s PRO 360 Cb -0.25 -1.61 0.38 0.00 0.02 0.00 0.00 34.50 33.03 3ml0 s PRO 360 CO 0.27 -3.34 1.83 1.49 -0.33 0.00 0.00 177.00 176.92 3ml0 h GLU 361 N -2.36 0.88 -0.43 5.54 4.57 -1.96 -2.50 114.58 118.32 3ml0 h GLU 361 Ca -0.54 -0.17 -0.14 0.00 -1.18 0.00 0.00 59.36 57.34 3ml0 h GLU 361 Cb 1.31 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 3ml0 h GLU 361 CO 0.46 0.77 -0.27 0.77 -1.18 0.00 0.00 179.01 179.56 3ml0 h SER 362 N 0.86 0.98 -0.52 1.04 0.02 -2.04 -3.18 113.55 110.70 3ml0 h SER 362 Ca 0.19 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3ml0 h SER 362 Cb 0.26 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.53 3ml0 h SER 362 CO -0.01 1.19 0.00 1.41 -1.14 0.00 0.00 176.83 178.28 3ml0 n HIS 363 N -4.13 1.75 0.11 3.45 8.25 -1.19 -4.48 115.22 118.98 3ml0 n HIS 363 Ca -0.01 -0.74 -0.03 0.00 -0.26 0.00 0.00 57.72 56.69 3ml0 n HIS 363 Cb 0.48 -0.43 0.18 0.00 1.12 0.00 0.00 29.99 31.34 3ml0 n HIS 363 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3ml0 h ARG 364 N 3.57 0.14 0.00 -0.41 2.43 -1.42 -2.93 114.38 115.75 3ml0 h ARG 364 Ca 0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3ml0 h ARG 364 Cb 1.78 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.34 3ml0 h ARG 364 CO 0.39 0.66 0.00 0.00 -1.51 0.00 0.00 179.97 179.51 3ml0 h ALA 365 N 1.32 1.00 0.00 2.80 0.00 -1.81 -1.71 119.26 120.86 3ml0 h ALA 365 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3ml0 h ALA 365 Cb 1.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3ml0 h ALA 365 CO 0.08 0.00 -0.25 1.98 0.00 0.00 0.00 179.25 181.06 3ml0 h MET 366 N 0.00 0.00 0.00 0.00 1.85 -1.84 -3.31 114.93 111.63 3ml0 h MET 366 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3ml0 h MET 366 Cb 0.59 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.62 3ml0 h MET 366 CO 0.00 0.25 -1.21 0.66 -0.40 0.00 0.00 176.91 176.22 3ml0 n TYR 367 N -3.24 0.00 0.18 1.39 4.01 -1.14 -4.18 117.16 114.18 3ml0 n TYR 367 Ca 0.02 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.82 3ml0 n TYR 367 Cb 0.55 -0.15 0.24 0.00 -0.31 0.00 0.00 39.34 39.67 3ml0 n TYR 367 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3ml0 h SER 368 N 0.00 0.00 -3.65 7.72 4.64 -1.43 -3.37 113.55 117.46 3ml0 h SER 368 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 3ml0 h SER 368 Cb 0.32 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.45 3ml0 h SER 368 CO 0.00 0.36 0.57 -1.10 -0.87 0.00 0.00 176.83 175.79 3ml0 s GLN 369 N -3.33 4.48 0.16 4.77 -0.21 -1.25 -4.92 119.66 119.37 3ml0 s GLN 369 Ca 0.02 1.97 0.20 0.00 0.02 0.00 0.00 55.36 57.57 3ml0 s GLN 369 Cb 0.09 -3.18 -0.03 0.00 1.00 0.00 0.00 33.01 30.89 3ml0 s GLN 369 CO 0.69 -0.06 1.01 0.00 -2.12 0.00 0.00 175.29 174.81 3ml0 h THR 370 N 3.40 0.25 -3.26 -0.19 1.03 -1.96 -3.42 112.91 108.76 3ml0 h THR 370 Ca -0.46 -1.47 -0.14 0.00 -0.01 0.00 0.00 66.41 64.33 3ml0 h THR 370 Cb 1.22 1.79 0.06 0.00 -1.07 0.00 0.00 68.15 70.15 3ml0 h THR 370 CO 0.71 0.14 -0.29 0.61 -0.01 0.00 0.00 175.52 176.68 3ml0 n GLY 371 N 1.26 0.21 3.68 2.99 0.00 -1.26 -4.42 105.19 107.65 3ml0 n GLY 371 Ca -0.04 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 3ml0 n GLY 371 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ml0 s PHE 372 N -3.14 2.96 0.30 1.61 0.08 -1.26 -4.50 117.98 114.03 3ml0 s PHE 372 Ca 0.08 -0.05 -0.29 0.00 0.12 0.00 0.00 56.93 56.79 3ml0 s PHE 372 Cb -0.04 -1.50 -0.10 0.00 -0.57 0.00 0.00 43.02 40.82 3ml0 s PHE 372 CO 0.29 0.48 1.11 0.00 -0.10 0.00 0.00 175.22 177.00 3ml0 s ALA 373 N -1.39 3.38 0.18 5.36 0.00 -1.26 -5.03 121.76 122.99 3ml0 s ALA 373 Ca 0.26 0.91 0.03 0.00 0.00 0.00 0.00 51.96 53.15 3ml0 s ALA 373 Cb -0.11 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 3ml0 s ALA 373 CO 0.18 -0.21 -0.02 -0.08 0.00 0.00 0.00 175.76 175.64 3ml0 s THR 374 N -1.21 0.83 -0.03 0.00 -1.32 -1.26 -4.76 115.64 107.89 3ml0 s THR 374 Ca 0.46 -2.00 -0.16 0.00 -1.21 0.00 0.00 61.69 58.78 3ml0 s THR 374 Cb -0.32 -2.12 -0.09 0.00 -1.51 0.00 0.00 72.50 68.46 3ml0 s THR 374 CO 0.41 -0.49 0.67 -0.61 -2.21 0.00 0.00 174.62 172.39 3ml0 h GLN 375 N 2.66 -0.54 0.05 7.08 4.15 -1.78 -3.30 115.11 123.43 3ml0 h GLN 375 Ca -0.37 0.04 -0.38 0.00 0.77 0.00 0.00 58.65 58.71 3ml0 h GLN 375 Cb 1.21 0.12 -0.05 0.00 0.21 0.00 0.00 27.48 28.97 3ml0 h GLN 375 CO 0.63 -0.35 -2.27 1.04 -1.93 0.00 0.00 178.83 175.96 3ml0 n GLN 376 N -5.15 0.68 -1.77 1.69 6.02 -1.26 -3.96 117.38 113.64 3ml0 n GLN 376 Ca -0.07 0.21 -0.41 0.00 -0.01 0.00 0.00 57.00 56.72 3ml0 n GLN 376 Cb 0.23 -1.59 -0.01 0.00 1.02 0.00 0.00 30.24 29.89 3ml0 n GLN 376 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ml0 n GLY 377 N 2.08 1.26 3.56 1.08 0.00 -1.26 -4.86 105.19 107.04 3ml0 n GLY 377 Ca -0.41 0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 3ml0 n GLY 377 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ml0 s PRO 378 N -1.54 2.14 0.22 1.61 0.02 -1.26 -4.74 135.00 131.44 3ml0 s PRO 378 Ca 0.57 0.60 -0.16 0.00 0.02 0.00 0.00 61.00 62.03 3ml0 s PRO 378 Cb -0.48 -4.71 -0.08 0.00 0.02 0.00 0.00 34.50 29.25 3ml0 s PRO 378 CO 0.58 -3.57 0.65 0.54 -0.33 0.00 0.00 177.00 174.87 3ml0 s ASN 379 N 10.10 6.88 1.00 2.53 4.22 -1.26 -5.08 114.94 133.33 3ml0 s ASN 379 Ca 0.84 1.23 -0.12 0.00 -2.14 0.00 0.00 52.86 52.67 3ml0 s ASN 379 Cb -0.13 -2.35 0.19 0.00 1.28 0.00 0.00 41.25 40.25 3ml0 s ASN 379 CO 0.13 -0.01 1.08 -2.16 -2.04 0.00 0.00 177.10 174.11 3ml0 s PRO 380 N -2.27 0.44 0.00 3.55 0.04 -1.26 -4.91 135.00 130.58 3ml0 s PRO 380 Ca 0.44 0.82 0.15 0.00 0.04 0.00 0.00 61.00 62.45 3ml0 s PRO 380 Cb -0.14 -1.71 0.70 0.00 0.04 0.00 0.00 34.50 33.38 3ml0 s PRO 380 CO 0.20 -2.80 1.42 0.41 0.04 0.00 0.00 177.00 176.27 3ml0 n GLY 381 N -0.48 -0.85 3.08 0.56 0.00 -1.26 -4.60 105.19 101.64 3ml0 n GLY 381 Ca 0.06 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3ml0 n GLY 381 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ml0 s SER 382 N -2.73 -0.24 -0.09 1.61 1.04 -1.26 -4.51 113.70 107.52 3ml0 s SER 382 Ca 0.11 0.59 -0.18 0.00 0.48 0.00 0.00 55.95 56.95 3ml0 s SER 382 Cb 0.10 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.66 3ml0 s SER 382 CO 0.24 -0.18 0.48 -0.51 0.98 0.00 0.00 173.24 174.25 3ml0 s ILE 383 N 1.40 5.13 0.24 -1.02 1.10 -1.26 -5.07 121.20 121.71 3ml0 s ILE 383 Ca -0.08 0.96 0.02 0.00 -0.51 0.00 0.00 60.65 61.04 3ml0 s ILE 383 Cb -0.10 -3.81 -0.05 0.00 0.15 0.00 0.00 42.46 38.65 3ml0 s ILE 383 CO -0.09 0.38 0.07 0.20 -2.11 0.00 0.00 174.94 173.38 3ml0 s ASN 384 N 0.26 1.25 -0.17 4.50 -0.87 -1.26 -5.02 114.94 113.62 3ml0 s ASN 384 Ca 0.26 -1.32 -0.29 0.00 -1.57 0.00 0.00 52.86 49.93 3ml0 s ASN 384 Cb -0.16 0.14 -0.03 0.00 -0.02 0.00 0.00 41.25 41.18 3ml0 s ASN 384 CO 0.11 -0.68 1.52 -0.76 -2.57 0.00 0.00 177.10 174.73 3ml0 s LEU 385 N -3.28 4.08 0.70 0.60 1.43 -1.26 -4.77 118.68 116.17 3ml0 s LEU 385 Ca 0.34 1.77 -0.14 0.00 -1.03 0.00 0.00 54.13 55.07 3ml0 s LEU 385 Cb 0.07 -3.53 0.02 0.00 0.03 0.00 0.00 46.19 42.78 3ml0 s LEU 385 CO 0.11 -1.04 1.13 -0.94 0.23 0.00 0.00 176.35 175.84 3ml0 s SER 386 N 3.36 4.73 0.58 2.29 1.04 -1.26 -4.82 113.70 119.63 3ml0 s SER 386 Ca 0.67 2.07 0.29 0.00 0.48 0.00 0.00 55.95 59.46 3ml0 s SER 386 Cb -0.26 -2.56 1.78 0.00 0.10 0.00 0.00 66.02 65.08 3ml0 s SER 386 CO 0.25 -1.89 2.24 0.24 0.98 0.00 0.00 173.24 175.07 3ml0 h MET 387 N -0.25 0.00 -0.25 4.02 2.86 -1.87 -0.28 114.93 119.15 3ml0 h MET 387 Ca -0.46 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.03 3ml0 h MET 387 Cb 1.26 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.91 3ml0 h MET 387 CO 0.52 0.01 -0.46 0.78 1.06 0.00 0.00 176.91 178.82 3ml0 h GLY 388 N 0.05 0.71 1.34 8.32 0.00 -1.74 -3.11 103.07 108.64 3ml0 h GLY 388 Ca -0.00 -0.76 -0.20 0.00 0.00 0.00 0.00 47.33 46.37 3ml0 h GLY 388 CO 0.00 0.68 -0.70 -0.84 0.00 0.00 0.00 176.54 175.69 3ml0 h THR 389 N 0.52 1.31 -0.43 4.70 2.02 -1.39 -3.14 112.91 116.50 3ml0 h THR 389 Ca 0.03 -1.96 -0.07 0.00 0.77 0.00 0.00 66.41 65.19 3ml0 h THR 389 Cb 1.00 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 69.32 3ml0 h THR 389 CO 0.09 0.61 -0.00 0.11 0.37 0.00 0.00 175.52 176.70 3ml0 h LYS 390 N 0.47 0.70 -0.34 6.66 1.57 -1.34 -2.17 116.57 122.13 3ml0 h LYS 390 Ca -0.03 -0.18 -0.17 0.00 -1.87 0.00 0.00 60.65 58.41 3ml0 h LYS 390 Cb 1.29 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 3ml0 h LYS 390 CO 0.14 0.72 -0.45 0.28 -0.57 0.00 0.00 179.45 179.56 3ml0 h VAL 391 N 0.66 1.27 -0.25 0.50 2.07 -1.61 -3.07 116.25 115.83 3ml0 h VAL 391 Ca 0.13 -1.63 -0.03 0.00 0.82 0.00 0.00 66.70 65.99 3ml0 h VAL 391 Cb 0.41 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3ml0 h VAL 391 CO 0.02 0.54 0.03 -0.07 0.02 0.00 0.00 177.57 178.11 3ml0 h LEU 392 N 0.71 0.32 -0.01 2.57 4.07 -1.43 -2.71 115.31 118.83 3ml0 h LEU 392 Ca 0.04 -0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 3ml0 h LEU 392 Cb 1.06 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.72 3ml0 h LEU 392 CO 0.11 0.36 -0.08 -0.07 -1.08 0.00 0.00 178.44 177.68 3ml0 h LEU 393 N 0.35 0.08 -0.46 1.67 3.38 -1.36 -2.83 115.31 116.13 3ml0 h LEU 393 Ca 0.08 -0.74 -0.02 0.00 0.09 0.00 0.00 57.88 57.30 3ml0 h LEU 393 Cb 0.19 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3ml0 h LEU 393 CO 0.00 0.81 -0.10 0.08 0.09 0.00 0.00 178.44 179.32 3ml0 h ARG 394 N -0.64 0.00 0.00 1.13 0.11 -1.56 -2.78 114.38 110.63 3ml0 h ARG 394 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 3ml0 h ARG 394 Cb 0.81 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.89 3ml0 h ARG 394 CO 0.02 0.10 -0.56 0.00 0.10 0.00 0.00 179.97 179.62 3ml0 h ALA 395 N 1.90 0.72 0.00 0.08 0.00 -1.60 -3.18 119.26 117.18 3ml0 h ALA 395 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3ml0 h ALA 395 Cb 0.91 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3ml0 h ALA 395 CO 0.01 0.00 -0.31 1.25 0.00 0.00 0.00 179.25 180.20 3ml0 h LEU 396 N 0.00 0.00 0.00 0.00 5.85 -1.23 -2.45 115.31 117.48 3ml0 h LEU 396 Ca 0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 3ml0 h LEU 396 Cb 0.99 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 3ml0 h LEU 396 CO 0.00 0.31 -0.76 0.58 -0.34 0.00 0.00 178.44 178.23 3ml0 h VAL 397 N 0.00 1.02 0.00 1.05 2.07 -1.58 -3.33 116.25 115.47 3ml0 h VAL 397 Ca -0.00 -2.48 -0.04 0.00 0.82 0.00 0.00 66.70 64.99 3ml0 h VAL 397 Cb 0.84 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 3ml0 h VAL 397 CO 0.04 0.58 -0.20 0.25 0.02 0.00 0.00 177.57 178.26 3ml0 h LEU 398 N 0.00 0.00 -0.33 2.57 5.85 -1.41 0.13 115.31 122.12 3ml0 h LEU 398 Ca -0.03 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.49 3ml0 h LEU 398 Cb 1.51 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.54 3ml0 h LEU 398 CO 0.08 0.20 -0.82 -0.33 -0.34 0.00 0.00 178.44 177.24 3ml0 h GLU 399 N 0.00 0.35 -0.03 1.25 5.08 -1.66 -2.98 114.58 116.59 3ml0 h GLU 399 Ca -0.00 -0.32 -0.18 0.00 -1.00 0.00 0.00 59.36 57.86 3ml0 h GLU 399 Cb 0.47 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3ml0 h GLU 399 CO 0.03 0.99 -0.76 0.00 -1.00 0.00 0.00 179.01 178.27 3ml0 h ALA 400 N 0.91 0.66 -3.06 3.43 0.00 -1.49 -3.39 119.26 116.32 3ml0 h ALA 400 Ca -0.05 -0.64 -0.61 0.00 0.00 0.00 0.00 54.91 53.61 3ml0 h ALA 400 Cb 1.42 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 18.73 3ml0 h ALA 400 CO 0.14 0.83 -0.72 -1.01 0.00 0.00 0.00 179.25 178.48 3ml0 s HIS 401 N -3.46 2.15 0.41 0.00 3.76 0.37 -5.12 115.29 113.39 3ml0 s HIS 401 Ca -0.04 -2.50 -0.26 0.00 -0.15 0.00 0.00 55.06 52.11 3ml0 s HIS 401 Cb 0.11 -2.02 -0.09 0.00 1.11 0.00 0.00 32.58 31.69 3ml0 s HIS 401 CO 0.82 -0.78 1.30 -1.25 -0.85 0.00 0.00 174.74 173.97 3ml0 s PRO 402 N 0.33 3.96 -0.04 8.40 0.04 -1.13 -4.48 135.00 142.08 3ml0 s PRO 402 Ca 0.17 2.14 -0.02 0.00 0.04 0.00 0.00 61.00 63.34 3ml0 s PRO 402 Cb -0.24 -2.75 0.03 0.00 0.04 0.00 0.00 34.50 31.58 3ml0 s PRO 402 CO -0.01 -0.50 0.06 0.34 0.04 0.00 0.00 177.00 176.94 3ml0 s ASP 403 N -0.76 0.93 0.29 6.66 -1.08 -1.26 -5.04 116.67 116.40 3ml0 s ASP 403 Ca 0.57 0.08 0.11 0.00 -0.52 0.00 0.00 52.55 52.79 3ml0 s ASP 403 Cb -0.38 -0.11 0.41 0.00 -1.46 0.00 0.00 42.92 41.38 3ml0 s ASP 403 CO 0.48 -0.23 1.65 -0.65 0.52 0.00 0.00 175.17 176.94 3ml0 h PRO 404 N 8.22 0.00 -0.11 4.34 0.11 -2.00 -3.18 132.00 139.37 3ml0 h PRO 404 Ca -0.18 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.79 3ml0 h PRO 404 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3ml0 h PRO 404 CO 0.21 0.58 -0.53 0.87 -0.21 0.00 0.00 178.00 178.92 3ml0 h LYS 405 N 0.00 0.32 -6.49 1.05 6.56 -2.04 -3.44 116.57 112.53 3ml0 h LYS 405 Ca -0.01 -0.19 -0.51 0.00 -1.06 0.00 0.00 60.65 58.88 3ml0 h LYS 405 Cb 1.03 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.70 3ml0 h LYS 405 CO 0.08 0.77 -0.15 1.03 -2.06 0.00 0.00 179.45 179.12 3ml0 s ARG 406 N -3.94 3.60 -0.12 3.15 0.52 -1.20 -5.10 118.95 115.85 3ml0 s ARG 406 Ca -0.05 -0.06 -0.03 0.00 -0.52 0.00 0.00 55.73 55.07 3ml0 s ARG 406 Cb 0.12 -2.65 -0.03 0.00 0.52 0.00 0.00 34.95 32.91 3ml0 s ARG 406 CO 0.80 0.20 -0.02 0.14 0.02 0.00 0.00 175.30 176.44 3ml0 s VAL 407 N -2.13 4.11 -0.10 3.52 -7.23 -1.26 -4.82 120.40 112.49 3ml0 s VAL 407 Ca 0.43 -0.30 -0.25 0.00 -1.81 0.00 0.00 61.98 60.06 3ml0 s VAL 407 Cb -0.11 -2.77 -0.03 0.00 0.56 0.00 0.00 36.38 34.04 3ml0 s VAL 407 CO 0.31 0.54 0.77 0.21 -0.31 0.00 0.00 175.10 176.63 3ml0 s ASN 408 N -0.21 7.00 0.43 4.85 2.47 -1.26 -4.96 114.94 123.26 3ml0 s ASN 408 Ca 0.05 1.22 0.23 0.00 0.42 0.00 0.00 52.86 54.78 3ml0 s ASN 408 Cb -0.13 -2.44 0.74 0.00 -1.45 0.00 0.00 41.25 37.97 3ml0 s ASN 408 CO 0.02 -0.24 1.75 -0.37 -3.72 0.00 0.00 177.10 174.54 3ml0 h VAL 409 N 4.94 0.46 -0.22 -5.21 -1.51 -1.97 -2.99 116.25 109.75 3ml0 h VAL 409 Ca -0.36 -1.23 -0.17 0.00 -1.23 0.00 0.00 66.70 63.71 3ml0 h VAL 409 Cb 1.17 1.89 0.00 0.00 -2.13 0.00 0.00 31.29 32.23 3ml0 h VAL 409 CO 0.78 0.21 -0.51 -0.26 -1.23 0.00 0.00 177.57 176.56 3ml0 h PHE 410 N 0.00 0.94 0.00 5.19 0.04 -1.93 -3.48 116.94 117.71 3ml0 h PHE 410 Ca -0.00 -0.36 0.00 0.00 2.80 0.00 0.00 57.97 60.41 3ml0 h PHE 410 Cb 0.87 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.85 3ml0 h PHE 410 CO 0.00 1.16 0.00 0.41 -0.60 0.00 0.00 178.31 179.28 3ml0 n GLY 411 N 0.46 1.44 0.13 -1.45 0.00 -1.13 -3.23 105.19 101.41 3ml0 n GLY 411 Ca -0.06 0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 3ml0 n GLY 411 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ml0 h GLU 412 N 0.00 0.34 -6.69 1.61 5.08 -1.92 -3.45 114.58 109.56 3ml0 h GLU 412 Ca 0.00 -0.15 -0.50 0.00 -1.00 0.00 0.00 59.36 57.71 3ml0 h GLU 412 Cb 0.00 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3ml0 h GLU 412 CO 0.00 0.67 0.21 1.03 -1.00 0.00 0.00 179.01 179.92 3ml0 s ARG 413 N -4.53 4.43 0.88 2.33 0.52 -1.20 -5.07 118.95 116.31 3ml0 s ARG 413 Ca -0.14 1.09 -0.13 0.00 -0.52 0.00 0.00 55.73 56.03 3ml0 s ARG 413 Cb 0.06 -2.91 0.14 0.00 0.52 0.00 0.00 34.95 32.76 3ml0 s ARG 413 CO 0.74 0.38 1.24 -1.54 0.02 0.00 0.00 175.30 176.13 3ml0 s SER 414 N -1.57 3.80 0.13 0.23 1.04 -1.26 -4.79 113.70 111.28 3ml0 s SER 414 Ca 0.45 0.44 -0.16 0.00 0.48 0.00 0.00 55.95 57.16 3ml0 s SER 414 Cb -0.18 -0.70 -0.01 0.00 0.10 0.00 0.00 66.02 65.22 3ml0 s SER 414 CO 0.23 -2.31 1.67 0.28 0.98 0.00 0.00 173.24 174.08 3ml0 h SER 415 N -1.31 0.54 0.39 7.02 0.02 -1.98 -2.96 113.55 115.26 3ml0 h SER 415 Ca -0.45 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.27 3ml0 h SER 415 Cb 1.28 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 3ml0 h SER 415 CO 0.50 0.57 -0.27 1.56 -1.14 0.00 0.00 176.83 178.04 3ml0 h GLN 416 N 0.47 0.00 -0.04 3.45 4.20 -1.96 -2.30 115.11 118.93 3ml0 h GLN 416 Ca 0.13 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.75 3ml0 h GLN 416 Cb 0.20 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.99 3ml0 h GLN 416 CO -0.01 0.27 -0.32 1.49 -0.67 0.00 0.00 178.83 179.59 3ml0 h GLU 417 N 0.00 0.29 -0.25 1.46 4.81 -1.92 -2.93 114.58 116.04 3ml0 h GLU 417 Ca -0.00 -0.26 -0.13 0.00 -0.13 0.00 0.00 59.36 58.84 3ml0 h GLU 417 Cb 0.54 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 3ml0 h GLU 417 CO 0.04 0.92 -0.35 0.82 -0.73 0.00 0.00 179.01 179.71 3ml0 h ILE 418 N -0.25 1.31 0.00 2.32 2.04 -1.47 -2.16 117.51 119.30 3ml0 h ILE 418 Ca -0.03 -1.54 -0.03 0.00 1.00 0.00 0.00 64.86 64.26 3ml0 h ILE 418 Cb 1.00 1.71 -0.00 0.00 -0.74 0.00 0.00 36.82 38.79 3ml0 h ILE 418 CO 0.07 0.49 -0.13 0.24 0.00 0.00 0.00 178.15 178.82 3ml0 h MET 419 N 0.40 0.00 0.14 2.37 2.86 -1.54 -0.33 114.93 118.83 3ml0 h MET 419 Ca 0.03 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.39 3ml0 h MET 419 Cb 0.94 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.62 3ml0 h MET 419 CO 0.08 0.13 -1.17 1.25 1.06 0.00 0.00 176.91 178.26 3ml0 h HIS 420 N 0.00 0.90 -0.45 -0.22 -0.00 -1.39 -2.83 115.15 111.16 3ml0 h HIS 420 Ca -0.00 -0.59 -0.11 0.00 -0.00 0.00 0.00 60.37 59.66 3ml0 h HIS 420 Cb 0.30 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.64 3ml0 h HIS 420 CO 0.00 1.44 -0.17 1.15 -0.00 0.00 0.00 177.93 180.36 3ml0 h THR 421 N 0.11 1.27 -0.16 6.26 2.02 -0.96 -1.64 112.91 119.80 3ml0 h THR 421 Ca -0.19 -1.29 -0.11 0.00 0.77 0.00 0.00 66.41 65.60 3ml0 h THR 421 Cb 1.87 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 69.37 3ml0 h THR 421 CO 0.22 0.44 -0.36 0.00 0.37 0.00 0.00 175.52 176.19 3ml0 h ALA 422 N 1.04 1.09 -0.26 6.16 0.00 -1.18 -1.48 119.26 124.62 3ml0 h ALA 422 Ca 0.11 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 3ml0 h ALA 422 Cb 0.69 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3ml0 h ALA 422 CO 0.05 0.58 -0.41 1.25 0.00 0.00 0.00 179.25 180.72 3ml0 h LEU 423 N 0.29 0.68 -0.51 0.00 5.85 -1.24 -0.99 115.31 119.40 3ml0 h LEU 423 Ca 0.03 -0.31 -0.16 0.00 0.84 0.00 0.00 57.88 58.28 3ml0 h LEU 423 Cb 0.77 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3ml0 h LEU 423 CO 0.06 1.01 -0.52 1.56 -0.34 0.00 0.00 178.44 180.21 3ml0 h GLN 424 N 0.52 0.61 0.00 1.25 4.20 -1.13 -2.60 115.11 117.97 3ml0 h GLN 424 Ca 0.04 -0.37 -0.14 0.00 0.06 0.00 0.00 58.65 58.24 3ml0 h GLN 424 Cb 0.93 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.73 3ml0 h GLN 424 CO 0.08 0.98 -0.68 -0.91 -0.67 0.00 0.00 178.83 177.64 3ml0 h ASN 425 N 0.48 0.00 0.05 1.46 2.35 -1.19 -2.32 115.58 116.40 3ml0 h ASN 425 Ca 0.02 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.56 3ml0 h ASN 425 Cb 1.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.44 3ml0 h ASN 425 CO 0.10 0.68 -0.75 0.00 -1.65 0.00 0.00 177.43 175.81 3ml0 h ALA 426 N 1.32 0.45 -0.14 -0.83 0.00 -1.16 -2.62 119.26 116.27 3ml0 h ALA 426 Ca -0.01 -0.60 -0.18 0.00 0.00 0.00 0.00 54.91 54.12 3ml0 h ALA 426 Cb 1.28 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3ml0 h ALA 426 CO 0.09 0.72 -0.65 1.96 0.00 0.00 0.00 179.25 181.37 3ml0 h GLN 427 N 0.42 0.54 -0.04 0.00 4.20 -1.47 -2.76 115.11 115.99 3ml0 h GLN 427 Ca -0.04 -0.39 -0.10 0.00 0.06 0.00 0.00 58.65 58.18 3ml0 h GLN 427 Cb 1.36 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.19 3ml0 h GLN 427 CO 0.14 1.00 -0.46 0.00 -0.67 0.00 0.00 178.83 178.85 3ml0 h ALA 428 N 0.90 1.16 -0.04 3.87 0.00 -1.45 -1.50 119.26 122.20 3ml0 h ALA 428 Ca -0.01 -0.43 -0.22 0.00 0.00 0.00 0.00 54.91 54.25 3ml0 h ALA 428 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3ml0 h ALA 428 CO 0.12 0.60 -0.87 -0.09 0.00 0.00 0.00 179.25 179.00 3ml0 h ARG 429 N 0.08 0.47 0.00 0.00 2.43 -1.44 -3.28 114.38 112.64 3ml0 h ARG 429 Ca 0.00 -0.45 -0.01 0.00 -0.81 0.00 0.00 59.98 58.72 3ml0 h ARG 429 Cb 0.84 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3ml0 h ARG 429 CO 0.06 1.10 -0.36 -0.07 -1.51 0.00 0.00 179.97 179.19 3ml0 h LEU 430 N 0.29 0.00 -0.61 3.80 3.38 -1.39 -3.12 115.31 117.65 3ml0 h LEU 430 Ca -0.07 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 3ml0 h LEU 430 Cb 1.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 3ml0 h LEU 430 CO 0.15 0.02 -0.54 0.28 0.09 0.00 0.00 178.44 178.45 3ml0 h SER 431 N 0.00 0.49 0.62 -0.43 0.02 -1.33 -1.23 113.55 111.68 3ml0 h SER 431 Ca -0.00 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 3ml0 h SER 431 Cb 1.02 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.42 3ml0 h SER 431 CO 0.00 0.93 -0.45 0.00 -1.14 0.00 0.00 176.83 176.17 3ml0 n GLN 432 N -3.95 0.05 -0.11 3.45 10.64 -1.24 -2.87 117.38 123.35 3ml0 n GLN 432 Ca -0.03 0.01 -0.19 0.00 -1.83 0.00 0.00 57.00 54.97 3ml0 n GLN 432 Cb 0.59 -1.53 -0.08 0.00 -0.86 0.00 0.00 30.24 28.36 3ml0 n GLN 432 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 3ml0 n GLU 433 N -1.59 0.55 -0.09 2.61 2.13 -1.15 -4.70 120.64 118.39 3ml0 n GLU 433 Ca 0.05 0.43 0.09 0.00 0.66 0.00 0.00 57.16 58.40 3ml0 n GLU 433 Cb 0.35 -1.63 0.13 0.00 0.27 0.00 0.00 31.44 30.57 3ml0 n GLU 433 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3ml0 n GLN 434 N -4.42 1.22 0.00 5.31 6.02 -0.48 -5.09 117.38 119.94 3ml0 n GLN 434 Ca -0.31 -2.48 0.00 0.00 -0.01 0.00 0.00 57.00 54.20 3ml0 n GLN 434 Cb 0.64 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 30.46 3ml0 n GLN 434 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ml0 n GLY 435 N -1.35 0.06 0.22 1.08 0.00 -1.14 -4.70 105.19 99.37 3ml0 n GLY 435 Ca 0.15 -1.78 0.11 0.00 0.00 0.00 0.00 46.02 44.50 3ml0 n GLY 435 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ml0 h ALA 436 N 0.00 0.95 -2.22 4.61 0.00 -1.87 -3.37 119.26 117.36 3ml0 h ALA 436 Ca 0.00 -0.14 -0.56 0.00 0.00 0.00 0.00 54.91 54.21 3ml0 h ALA 436 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3ml0 h ALA 436 CO 0.00 0.19 0.98 -1.14 0.00 0.00 0.00 179.25 179.28 3ml0 s GLN 437 N -3.42 4.21 0.08 0.00 0.74 -1.26 -4.93 119.66 115.09 3ml0 s GLN 437 Ca 0.03 1.93 -0.13 0.00 0.05 0.00 0.00 55.36 57.24 3ml0 s GLN 437 Cb 0.08 -3.85 -0.21 0.00 1.10 0.00 0.00 33.01 30.14 3ml0 s GLN 437 CO 0.64 -0.76 1.23 1.98 -0.55 0.00 0.00 175.29 177.83 3ml0 h MET 438 N 8.77 0.72 0.00 1.67 1.85 -1.95 -3.28 114.93 122.71 3ml0 h MET 438 Ca -0.33 -0.72 -0.02 0.00 -0.61 0.00 0.00 59.70 58.01 3ml0 h MET 438 Cb 1.14 0.19 -0.00 0.00 0.43 0.00 0.00 31.60 33.36 3ml0 h MET 438 CO 0.96 1.30 -0.11 0.00 -0.40 0.00 0.00 176.91 178.67 3ml0 h ALA 439 N 0.45 1.22 -0.01 0.39 0.00 -1.99 -2.74 119.26 116.59 3ml0 h ALA 439 Ca -0.11 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3ml0 h ALA 439 Cb 1.62 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.39 3ml0 h ALA 439 CO 0.19 0.13 -0.12 0.54 0.00 0.00 0.00 179.25 179.99 3ml0 n ARG 440 N -3.53 1.12 -2.20 0.00 5.12 -1.24 -4.71 116.66 111.22 3ml0 n ARG 440 Ca -0.02 -0.59 -0.42 0.00 -1.93 0.00 0.00 57.85 54.90 3ml0 n ARG 440 Cb 0.24 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 30.02 3ml0 n ARG 440 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3ml0 s TRP 441 N -2.28 3.25 -0.07 -1.55 0.51 -1.03 -5.02 118.94 112.75 3ml0 s TRP 441 Ca 0.32 1.12 -0.30 0.00 -2.12 0.00 0.00 56.10 55.12 3ml0 s TRP 441 Cb 0.20 -3.63 0.07 0.00 -0.81 0.00 0.00 33.47 29.30 3ml0 s TRP 441 CO 0.43 -2.06 0.67 -0.08 -0.51 0.00 0.00 176.95 175.40 3ml0 s THR 442 N 0.49 0.00 0.07 2.01 -1.32 -1.26 -3.51 115.64 112.11 3ml0 s THR 442 Ca 0.60 -0.02 0.07 0.00 -1.21 0.00 0.00 61.69 61.12 3ml0 s THR 442 Cb -0.36 -0.98 -0.04 0.00 -1.51 0.00 0.00 72.50 69.61 3ml0 s THR 442 CO 0.35 -0.01 -0.14 0.00 -2.21 0.00 0.00 174.62 172.62 3ml0 s MET 443 N -1.05 2.13 0.18 7.08 0.23 -1.26 -4.89 119.30 121.71 3ml0 s MET 443 Ca -0.10 -0.98 -0.33 0.00 -1.03 0.00 0.00 55.69 53.25 3ml0 s MET 443 Cb -0.01 -2.27 -0.13 0.00 -1.53 0.00 0.00 34.83 30.89 3ml0 s MET 443 CO 0.09 0.53 1.64 -2.30 -2.03 0.00 0.00 175.02 172.95 3ml0 n PRO 444 N 1.16 2.40 -2.15 3.16 -0.02 -1.26 -1.14 135.00 137.14 3ml0 n PRO 444 Ca -0.15 0.86 -0.41 0.00 -2.02 0.00 0.00 63.50 61.79 3ml0 n PRO 444 Cb 0.52 -2.66 -0.02 0.00 -0.02 0.00 0.00 33.50 31.31 3ml0 n PRO 444 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3ml0 s THR 445 N 1.02 2.88 0.22 3.45 2.01 -1.05 -4.47 115.64 119.70 3ml0 s THR 445 Ca 0.77 0.83 -0.30 0.00 0.31 0.00 0.00 61.69 63.30 3ml0 s THR 445 Cb -0.61 -3.53 -0.10 0.00 0.01 0.00 0.00 72.50 68.27 3ml0 s THR 445 CO 0.36 0.17 1.47 -0.44 -0.69 0.00 0.00 174.62 175.49 3ml0 s SER 446 N -0.23 6.64 -0.25 3.53 0.01 -1.26 -4.38 113.70 117.76 3ml0 s SER 446 Ca 0.52 2.64 -0.10 0.00 1.31 0.00 0.00 55.95 60.31 3ml0 s SER 446 Cb -0.39 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.18 3ml0 s SER 446 CO 0.47 -0.73 0.16 -0.69 0.41 0.00 0.00 173.24 172.87 3ml0 s VAL 447 N 0.31 5.31 -0.20 3.43 1.01 -1.24 -1.12 120.40 127.90 3ml0 s VAL 447 Ca 0.62 0.16 -0.29 0.00 0.00 0.00 0.00 61.98 62.47 3ml0 s VAL 447 Cb -0.42 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 3ml0 s VAL 447 CO 0.40 0.33 1.24 -2.28 0.00 0.00 0.00 175.10 174.78 3ml0 s HIS 448 N 1.21 2.88 0.06 5.22 2.46 -0.09 -4.80 115.29 122.24 3ml0 s HIS 448 Ca 0.07 1.04 0.09 0.00 0.47 0.00 0.00 55.06 56.74 3ml0 s HIS 448 Cb -0.14 -3.55 -0.03 0.00 -0.13 0.00 0.00 32.58 28.73 3ml0 s HIS 448 CO 0.06 -1.53 -0.26 1.03 -2.47 0.00 0.00 174.74 171.57 3ml0 s ARG 449 N 3.59 1.69 -0.48 2.88 0.52 -1.26 -1.64 118.95 124.24 3ml0 s ARG 449 Ca 0.53 -1.14 -0.02 0.00 -0.52 0.00 0.00 55.73 54.59 3ml0 s ARG 449 Cb -0.20 -1.92 0.13 0.00 0.52 0.00 0.00 34.95 33.48 3ml0 s ARG 449 CO 0.15 0.49 0.27 -0.06 0.02 0.00 0.00 175.30 176.17 3ml0 s PHE 450 N -0.85 3.52 0.34 -0.53 0.08 0.86 -4.56 117.98 116.84 3ml0 s PHE 450 Ca 0.12 -2.59 -0.27 0.00 0.12 0.00 0.00 56.93 54.31 3ml0 s PHE 450 Cb -0.10 -3.18 -0.09 0.00 -0.57 0.00 0.00 43.02 39.08 3ml0 s PHE 450 CO 0.03 -0.92 1.08 -1.54 -0.10 0.00 0.00 175.22 173.77 3ml0 s SER 451 N 1.30 6.98 0.47 1.36 1.04 -0.98 -3.13 113.70 120.74 3ml0 s SER 451 Ca 0.12 2.17 0.26 0.00 0.48 0.00 0.00 55.95 58.98 3ml0 s SER 451 Cb -0.22 -2.61 1.04 0.00 0.10 0.00 0.00 66.02 64.33 3ml0 s SER 451 CO -0.04 -0.34 1.87 -2.24 0.98 0.00 0.00 173.24 173.47 3ml0 h ASP 452 N 3.14 0.00 -2.88 7.02 2.03 -1.80 -2.15 116.42 121.78 3ml0 h ASP 452 Ca -0.48 0.00 -0.64 0.00 -0.73 0.00 0.00 57.03 55.19 3ml0 h ASP 452 Cb 1.22 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 39.64 3ml0 h ASP 452 CO 0.64 0.16 -0.42 -0.54 -1.03 0.00 0.00 179.24 178.06 3ml0 s LYS 453 N -3.67 3.73 0.02 4.15 1.02 -1.26 -0.83 119.74 122.91 3ml0 s LYS 453 Ca 0.01 -0.02 -0.00 0.00 0.02 0.00 0.00 55.97 55.97 3ml0 s LYS 453 Cb 0.10 -3.26 0.00 0.00 -0.52 0.00 0.00 37.83 34.16 3ml0 s LYS 453 CO 0.61 0.63 0.02 0.27 -0.92 0.00 0.00 175.35 175.96 3ml0 n ASN 454 N 2.38 -0.77 0.18 2.83 0.23 -0.91 -4.88 115.26 114.32 3ml0 n ASN 454 Ca -0.17 -0.63 0.03 0.00 -0.53 0.00 0.00 54.58 53.27 3ml0 n ASN 454 Cb 0.54 -0.02 0.40 0.00 -2.08 0.00 0.00 39.78 38.62 3ml0 n ASN 454 CO 0.00 0.00 0.00 2.19 -0.93 0.00 0.00 177.26 178.52 3ml0 h PHE 455 N -1.40 0.06 -0.00 -2.53 -5.15 -1.90 -3.11 116.94 102.91 3ml0 h PHE 455 Ca -0.01 -0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.75 3ml0 h PHE 455 Cb 0.02 -0.02 0.00 0.00 0.22 0.00 0.00 35.95 36.17 3ml0 h PHE 455 CO 0.00 0.32 -0.41 -2.37 -2.00 0.00 0.00 178.31 173.85 3ml0 n THR 456 N -4.20 0.00 -0.75 0.88 5.66 -1.26 -4.95 114.28 109.66 3ml0 n THR 456 Ca -0.02 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 3ml0 n THR 456 Cb 0.33 0.18 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 3ml0 n THR 456 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3ml0 n GLY 457 N 1.48 0.50 2.74 1.09 0.00 -1.17 -5.11 105.19 104.71 3ml0 n GLY 457 Ca 0.07 -0.18 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 3ml0 n GLY 457 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ml0 s THR 458 N -1.77 -0.11 -0.00 2.61 2.01 -1.26 -4.98 115.64 112.14 3ml0 s THR 458 Ca 0.00 0.34 -0.30 0.00 0.31 0.00 0.00 61.69 62.04 3ml0 s THR 458 Cb 0.00 -0.15 -0.08 0.00 0.01 0.00 0.00 72.50 72.28 3ml0 s THR 458 CO 0.00 0.14 1.91 -2.16 -0.69 0.00 0.00 174.62 173.82 3ml0 s PRO 459 N 1.78 4.08 0.19 4.92 0.04 -1.26 -2.13 135.00 142.62 3ml0 s PRO 459 Ca -0.01 2.47 0.11 0.00 0.04 0.00 0.00 61.00 63.61 3ml0 s PRO 459 Cb -0.12 -4.14 -0.08 0.00 0.04 0.00 0.00 34.50 30.20 3ml0 s PRO 459 CO -0.04 -1.01 1.36 1.96 0.04 0.00 0.00 177.00 179.31 3ml0 h GLN 460 N 10.64 0.00 0.00 4.56 4.20 -1.26 -3.48 115.11 129.77 3ml0 h GLN 460 Ca -0.47 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 57.95 3ml0 h GLN 460 Cb 1.22 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.93 3ml0 h GLN 460 CO 0.95 0.78 -0.28 0.25 -0.67 0.00 0.00 178.83 179.86 3ml0 n THR 461 N -3.30 0.00 -1.98 -0.54 -2.24 -1.21 -4.83 114.28 100.19 3ml0 n THR 461 Ca 0.01 -1.44 -0.40 0.00 -2.27 0.00 0.00 64.05 59.95 3ml0 n THR 461 Cb 0.85 0.67 -0.00 0.00 -2.10 0.00 0.00 70.33 69.75 3ml0 n THR 461 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ml0 s MET 462 N -2.83 4.00 0.22 -0.78 0.23 -1.26 -4.91 119.30 113.97 3ml0 s MET 462 Ca 0.21 2.28 -0.32 0.00 -1.03 0.00 0.00 55.69 56.83 3ml0 s MET 462 Cb 0.01 -2.82 -0.12 0.00 -1.53 0.00 0.00 34.83 30.37 3ml0 s MET 462 CO 0.15 -0.51 1.71 -2.14 -2.03 0.00 0.00 175.02 172.19 3ml0 s PRO 463 N -2.19 4.12 0.00 3.16 0.02 -1.26 -2.46 135.00 136.39 3ml0 s PRO 463 Ca 0.56 2.61 0.00 0.00 0.02 0.00 0.00 61.00 64.19 3ml0 s PRO 463 Cb -0.41 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.05 3ml0 s PRO 463 CO 0.53 -0.74 0.00 0.41 -0.33 0.00 0.00 177.00 176.87 3ml0 n GLY 464 N 3.67 2.35 3.58 0.52 0.00 -1.26 -5.01 105.19 109.04 3ml0 n GLY 464 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3ml0 n GLY 464 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ml0 s ASN 465 N -0.06 5.35 0.05 1.61 2.47 -1.03 -4.90 114.94 118.42 3ml0 s ASN 465 Ca 0.00 -1.66 0.04 0.00 0.42 0.00 0.00 52.86 51.66 3ml0 s ASN 465 Cb 0.00 -2.58 -0.02 0.00 -1.45 0.00 0.00 41.25 37.19 3ml0 s ASN 465 CO 0.00 -2.72 -0.11 0.42 -3.72 0.00 0.00 177.10 170.97 3ml0 s THR 466 N 9.76 0.83 -0.08 -5.21 -4.23 -1.26 -4.39 115.64 111.06 3ml0 s THR 466 Ca 0.66 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 3ml0 s THR 466 Cb -0.01 -0.82 -0.03 0.00 1.34 0.00 0.00 72.50 72.98 3ml0 s THR 466 CO 0.10 -0.23 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.53 3ml0 s PHE 467 N -1.17 2.94 -0.11 3.99 0.08 -1.18 -5.00 117.98 117.53 3ml0 s PHE 467 Ca -0.04 -0.06 -0.09 0.00 0.12 0.00 0.00 56.93 56.86 3ml0 s PHE 467 Cb -0.09 -1.75 0.03 0.00 -0.57 0.00 0.00 43.02 40.65 3ml0 s PHE 467 CO 0.01 0.25 0.29 0.00 -0.10 0.00 0.00 175.22 175.67 3ml0 s ALA 468 N -0.59 -0.71 0.01 5.36 0.00 -1.26 -0.10 121.76 124.47 3ml0 s ALA 468 Ca 0.09 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.97 3ml0 s ALA 468 Cb -0.12 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 3ml0 s ALA 468 CO 0.02 -0.16 -0.02 -0.59 0.00 0.00 0.00 175.76 175.01 3ml0 s PHE 469 N 0.51 0.16 0.32 0.00 -0.12 -0.65 -5.02 117.98 113.18 3ml0 s PHE 469 Ca -0.03 -0.32 -0.28 0.00 -0.05 0.00 0.00 56.93 56.25 3ml0 s PHE 469 Cb -0.04 -0.12 -0.10 0.00 -0.63 0.00 0.00 43.02 42.13 3ml0 s PHE 469 CO -0.03 -0.11 1.22 -0.08 -0.05 0.00 0.00 175.22 176.17 3ml0 s THR 470 N -0.87 3.02 0.00 -4.49 -1.32 -1.26 -0.91 115.64 109.81 3ml0 s THR 470 Ca -0.09 1.01 0.00 0.00 -1.21 0.00 0.00 61.69 61.40 3ml0 s THR 470 Cb -0.06 -3.63 0.00 0.00 -1.51 0.00 0.00 72.50 67.30 3ml0 s THR 470 CO -0.01 0.22 0.00 0.61 -2.21 0.00 0.00 174.62 173.24 3ml0 n GLY 471 N 0.91 -0.26 3.71 6.08 0.00 -0.28 -4.80 105.19 110.55 3ml0 n GLY 471 Ca 0.00 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 3ml0 n GLY 471 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ml0 s TYR 472 N 0.00 3.20 -0.18 1.61 5.04 -0.71 -4.33 117.35 121.97 3ml0 s TYR 472 Ca 0.00 1.04 -0.04 0.00 -2.44 0.00 0.00 57.07 55.64 3ml0 s TYR 472 Cb 0.00 -3.58 -0.02 0.00 0.35 0.00 0.00 41.96 38.71 3ml0 s TYR 472 CO 0.00 -1.98 -0.03 -0.65 -1.34 0.00 0.00 175.55 171.55 3ml0 s GLN 473 N 1.51 3.56 -1.49 4.97 -0.21 -1.26 -4.72 119.66 122.02 3ml0 s GLN 473 Ca 0.62 -0.56 -0.09 0.00 0.02 0.00 0.00 55.36 55.35 3ml0 s GLN 473 Cb -0.32 -2.96 -0.04 0.00 1.00 0.00 0.00 33.01 30.68 3ml0 s GLN 473 CO 0.28 0.07 2.85 -1.71 -2.12 0.00 0.00 175.29 174.65 3ml0 n ASN 474 N 4.05 8.48 -2.81 5.90 5.15 -1.01 -4.88 115.26 130.13 3ml0 n ASN 474 Ca -0.17 -2.71 -0.07 0.00 -0.60 0.00 0.00 54.58 51.02 3ml0 n ASN 474 Cb 0.52 -1.50 0.01 0.00 -0.53 0.00 0.00 39.78 38.27 3ml0 n ASN 474 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3ml0 n ARG 475 N 3.06 1.14 -2.41 1.20 1.74 -1.26 -4.44 116.66 115.69 3ml0 n ARG 475 Ca 0.74 -0.95 -0.24 0.00 -0.77 0.00 0.00 57.85 56.63 3ml0 n ARG 475 Cb 0.26 0.05 0.05 0.00 -1.02 0.00 0.00 32.46 31.80 3ml0 n ARG 475 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3ml0 s GLY 476 N -2.43 1.74 0.41 -0.13 0.00 -1.24 -4.64 107.32 101.02 3ml0 s GLY 476 Ca 0.11 -1.09 0.19 0.00 0.00 0.00 0.00 44.72 43.94 3ml0 s GLY 476 CO 0.07 -0.74 1.84 -0.84 0.00 0.00 0.00 173.10 173.43 3ml0 h THR 477 N -0.28 0.90 -3.46 0.90 2.02 -0.95 -3.43 112.91 108.61 3ml0 h THR 477 Ca -0.43 -1.22 -0.26 0.00 0.77 0.00 0.00 66.41 65.26 3ml0 h THR 477 Cb 1.30 1.73 -0.32 0.00 -1.74 0.00 0.00 68.15 69.12 3ml0 h THR 477 CO 0.57 0.31 -0.67 -0.70 0.37 0.00 0.00 175.52 175.39 3ml0 s GLU 478 N -3.90 0.02 -0.27 6.66 -6.30 -1.24 -4.26 118.70 109.41 3ml0 s GLU 478 Ca -0.01 0.21 -0.03 0.00 -2.50 0.00 0.00 54.97 52.64 3ml0 s GLU 478 Cb 0.12 -0.16 0.03 0.00 0.00 0.00 0.00 34.13 34.13 3ml0 s GLU 478 CO 0.67 -0.13 -0.02 -0.80 0.02 0.00 0.00 175.26 175.01 3ml0 s ASN 479 N 0.83 4.62 0.04 -1.70 0.02 -0.48 -3.64 114.94 114.64 3ml0 s ASN 479 Ca -0.07 -0.97 0.05 0.00 -1.02 0.00 0.00 52.86 50.85 3ml0 s ASN 479 Cb -0.09 -1.71 -0.04 0.00 0.02 0.00 0.00 41.25 39.43 3ml0 s ASN 479 CO -0.03 -0.18 -0.10 0.54 0.02 0.00 0.00 177.10 177.35 3ml0 s ASN 480 N 1.33 4.42 -0.06 -1.22 4.22 -0.84 -0.80 114.94 121.99 3ml0 s ASN 480 Ca -0.01 -0.27 -0.01 0.00 -2.14 0.00 0.00 52.86 50.42 3ml0 s ASN 480 Cb -0.18 -0.92 0.03 0.00 1.28 0.00 0.00 41.25 41.46 3ml0 s ASN 480 CO -0.02 0.24 0.02 -0.60 -2.04 0.00 0.00 177.10 174.70 3ml0 s ARG 481 N -1.70 0.39 -0.29 3.55 3.52 0.23 -1.61 118.95 123.04 3ml0 s ARG 481 Ca 0.18 0.19 -0.03 0.00 -0.13 0.00 0.00 55.73 55.94 3ml0 s ARG 481 Cb -0.11 -0.82 0.04 0.00 -1.56 0.00 0.00 34.95 32.50 3ml0 s ARG 481 CO 0.09 -0.31 0.01 0.08 -0.81 0.00 0.00 175.30 174.37 3ml0 s VAL 482 N 2.00 3.19 -0.19 7.11 1.01 -0.52 -1.02 120.40 131.99 3ml0 s VAL 482 Ca 0.05 -1.17 -0.05 0.00 0.00 0.00 0.00 61.98 60.81 3ml0 s VAL 482 Cb -0.12 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 3ml0 s VAL 482 CO -0.04 -0.01 -0.01 -0.69 0.00 0.00 0.00 175.10 174.34 3ml0 s VAL 483 N 1.32 3.92 -0.98 2.92 1.01 -0.41 -1.82 120.40 126.38 3ml0 s VAL 483 Ca -0.02 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 3ml0 s VAL 483 Cb -0.19 -2.77 0.25 0.00 0.00 0.00 0.00 36.38 33.67 3ml0 s VAL 483 CO -0.01 0.44 0.92 -0.36 0.00 0.00 0.00 175.10 176.09 3ml0 s PHE 484 N 0.91 4.04 0.00 5.22 0.08 -0.06 -1.28 117.98 126.90 3ml0 s PHE 484 Ca 0.01 -2.72 0.00 0.00 0.12 0.00 0.00 56.93 54.34 3ml0 s PHE 484 Cb -0.14 -3.60 0.00 0.00 -0.57 0.00 0.00 43.02 38.70 3ml0 s PHE 484 CO 0.02 -0.88 0.00 -0.40 -0.10 0.00 0.00 175.22 173.86 3ml0 n ASP 485 N 2.78 -0.61 0.00 1.36 5.68 -1.17 -3.22 116.55 121.37 3ml0 n ASP 485 Ca 0.21 -0.56 0.11 0.00 -0.50 0.00 0.00 54.79 54.05 3ml0 n ASP 485 Cb 0.39 0.00 0.50 0.00 -1.14 0.00 0.00 41.12 40.87 3ml0 n ASP 485 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ml0 n ALA 486 N -3.00 2.05 0.07 2.12 0.00 -1.26 -3.89 120.51 116.60 3ml0 n ALA 486 Ca 0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 53.44 53.25 3ml0 n ALA 486 Cb 0.00 -1.37 -0.07 0.00 0.00 0.00 0.00 19.45 18.01 3ml0 n ALA 486 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3ml0 h LYS 487 N 0.00 -0.24 -0.83 0.00 3.11 -1.99 -3.49 116.57 113.12 3ml0 h LYS 487 Ca 0.00 0.02 -0.14 0.00 -2.81 0.00 0.00 60.65 57.72 3ml0 h LYS 487 Cb 0.37 0.06 -0.16 0.00 -1.00 0.00 0.00 32.23 31.50 3ml0 h LYS 487 CO 0.00 0.15 -0.45 0.41 -2.81 0.00 0.00 179.45 176.75 3ml0 n GLY 488 N 0.53 -0.63 2.71 5.01 0.00 -1.25 -5.18 105.19 106.38 3ml0 n GLY 488 Ca -0.08 0.51 -0.19 0.00 0.00 0.00 0.00 46.02 46.27 3ml0 n GLY 488 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ml0 s VAL 489 N 0.86 -0.11 -0.18 1.61 0.11 -1.26 -3.02 120.40 118.40 3ml0 s VAL 489 Ca 0.30 0.38 -0.05 0.00 -2.93 0.00 0.00 61.98 59.68 3ml0 s VAL 489 Cb 0.03 -0.15 0.06 0.00 -1.53 0.00 0.00 36.38 34.80 3ml0 s VAL 489 CO -0.07 0.16 0.08 -0.70 -3.33 0.00 0.00 175.10 171.24 3ml0 s GLU 490 N 1.95 0.19 -0.16 1.54 -6.30 -0.40 -4.99 118.70 110.53 3ml0 s GLU 490 Ca 0.02 -0.17 -0.09 0.00 -2.50 0.00 0.00 54.97 52.23 3ml0 s GLU 490 Cb -0.12 -1.87 -0.05 0.00 0.00 0.00 0.00 34.13 32.09 3ml0 s GLU 490 CO -0.03 -0.68 0.16 0.12 0.02 0.00 0.00 175.26 174.85 3ml0 s PHE 491 N 2.08 3.50 -0.07 5.30 5.36 -1.26 -1.28 117.98 131.60 3ml0 s PHE 491 Ca 0.02 0.46 -0.03 0.00 -0.96 0.00 0.00 56.93 56.42 3ml0 s PHE 491 Cb -0.16 -2.10 0.04 0.00 -0.34 0.00 0.00 43.02 40.46 3ml0 s PHE 491 CO -0.10 0.46 0.13 0.00 -1.46 0.00 0.00 175.22 174.26 3ml0 s ASP 493 N 2.18 1.99 -0.17 0.00 -4.77 -1.03 0.75 116.67 115.62 3ml0 s ASP 493 Ca 0.03 -1.12 -0.05 0.00 -3.30 0.00 0.00 52.55 48.12 3ml0 s ASP 493 Cb -0.12 -0.03 0.09 0.00 -1.09 0.00 0.00 42.92 41.76 3ml0 s ASP 493 CO -0.05 -0.39 0.30 0.00 0.70 0.00 0.00 175.17 175.74 3ml0 s ALA 494 N -3.29 -0.70 -0.21 2.11 0.00 0.02 -2.55 121.76 117.13 3ml0 s ALA 494 Ca 0.23 0.91 -0.03 0.00 0.00 0.00 0.00 51.96 53.08 3ml0 s ALA 494 Cb 0.04 -1.23 0.07 0.00 0.00 0.00 0.00 23.12 21.99 3ml0 s ALA 494 CO 0.06 -0.86 0.05 0.00 0.00 0.00 0.00 175.76 175.01 3ml0 s MET 495 N 2.46 0.58 0.42 0.00 0.23 -1.26 -1.38 119.30 120.35 3ml0 s MET 495 Ca 0.04 -0.47 -0.22 0.00 -1.03 0.00 0.00 55.69 54.00 3ml0 s MET 495 Cb -0.13 -2.01 -0.10 0.00 -1.53 0.00 0.00 34.83 31.06 3ml0 s MET 495 CO -0.11 -0.71 0.98 -1.25 -2.03 0.00 0.00 175.02 171.91 3ml0 s PRO 496 N 1.87 4.19 0.06 3.16 0.04 -1.26 -3.07 135.00 139.98 3ml0 s PRO 496 Ca 0.01 1.27 0.24 0.00 0.04 0.00 0.00 61.00 62.57 3ml0 s PRO 496 Cb -0.17 -2.33 0.31 0.00 0.04 0.00 0.00 34.50 32.35 3ml0 s PRO 496 CO -0.12 -0.08 1.27 -0.35 0.04 0.00 0.00 177.00 177.76 3ml0 n PRO 497 N -0.40 0.18 -3.41 0.56 -0.04 -1.26 -4.40 135.00 126.24 3ml0 n PRO 497 Ca 0.06 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 3ml0 n PRO 497 Cb 0.52 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 3ml0 n PRO 497 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ml0 n GLY 498 N 1.40 -1.73 0.17 0.55 0.00 -1.18 -1.65 105.19 102.75 3ml0 n GLY 498 Ca 0.04 -1.10 -0.05 0.00 0.00 0.00 0.00 46.02 44.90 3ml0 n GLY 498 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3ml0 h GLN 499 N 0.00 -0.32 -6.45 1.61 1.08 -1.74 -3.40 115.11 105.89 3ml0 h GLN 499 Ca 0.00 0.02 -0.53 0.00 -1.45 0.00 0.00 58.65 56.69 3ml0 h GLN 499 Cb 0.00 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 3ml0 h GLN 499 CO 0.00 -0.21 0.37 0.45 -0.95 0.00 0.00 178.83 178.49 3ml0 s SER 500 N -5.08 7.40 -0.42 1.46 0.15 -0.55 -4.90 113.70 111.75 3ml0 s SER 500 Ca -0.05 1.70 0.05 0.00 0.70 0.00 0.00 55.95 58.35 3ml0 s SER 500 Cb 0.00 -2.57 0.54 0.00 -1.71 0.00 0.00 66.02 62.28 3ml0 s SER 500 CO 0.15 -0.22 1.69 0.61 1.20 0.00 0.00 173.24 176.67 3ml0 n GLY 501 N 2.74 5.18 3.79 9.45 0.00 -1.26 -4.10 105.19 120.99 3ml0 n GLY 501 Ca 0.05 -1.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 3ml0 n GLY 501 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ml0 s PHE 502 N -3.43 3.78 -0.06 1.61 2.19 -1.26 -4.98 117.98 115.83 3ml0 s PHE 502 Ca 0.53 1.28 -0.00 0.00 0.33 0.00 0.00 56.93 59.07 3ml0 s PHE 502 Cb 0.45 -2.55 0.03 0.00 -1.31 0.00 0.00 43.02 39.64 3ml0 s PHE 502 CO 0.03 0.51 -0.01 0.99 1.83 0.00 0.00 175.22 178.57 3ml0 s THR 503 N -0.83 0.37 0.73 0.12 2.01 -1.26 -2.63 115.64 114.14 3ml0 s THR 503 Ca 0.30 0.06 -0.12 0.00 0.31 0.00 0.00 61.69 62.24 3ml0 s THR 503 Cb -0.19 -0.48 0.03 0.00 0.01 0.00 0.00 72.50 71.87 3ml0 s THR 503 CO 0.19 0.23 1.09 -0.62 -0.69 0.00 0.00 174.62 174.81 3ml0 s ASP 504 N 1.52 4.84 0.43 3.53 3.68 0.16 -4.94 116.67 125.89 3ml0 s ASP 504 Ca -0.02 1.82 0.14 0.00 2.13 0.00 0.00 52.55 56.62 3ml0 s ASP 504 Cb -0.13 -2.52 1.03 0.00 -1.45 0.00 0.00 42.92 39.84 3ml0 s ASP 504 CO -0.03 -1.81 1.97 -0.09 0.13 0.00 0.00 175.17 175.34 3ml0 h ARG 505 N -0.75 0.41 -0.33 4.34 2.43 -2.02 -1.99 114.38 116.47 3ml0 h ARG 505 Ca -0.44 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 58.54 3ml0 h ARG 505 Cb 1.23 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3ml0 h ARG 505 CO 0.53 0.27 -0.44 -0.91 -1.51 0.00 0.00 179.97 177.91 3ml0 h ASN 506 N 0.42 0.96 0.00 -3.80 4.21 -2.07 -3.48 115.58 111.83 3ml0 h ASN 506 Ca 0.29 -0.50 0.00 0.00 1.21 0.00 0.00 56.30 57.31 3ml0 h ASN 506 Cb 0.59 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 37.51 3ml0 h ASN 506 CO -0.08 1.27 0.00 0.61 -1.29 0.00 0.00 177.43 177.93 3ml0 n GLY 507 N 0.24 1.00 3.77 2.83 0.00 -0.75 -5.14 105.19 107.15 3ml0 n GLY 507 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 3ml0 n GLY 507 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ml0 s VAL 508 N -0.18 3.18 0.32 1.61 -7.23 -1.26 -4.70 120.40 112.14 3ml0 s VAL 508 Ca 0.00 0.93 0.08 0.00 -1.81 0.00 0.00 61.98 61.18 3ml0 s VAL 508 Cb 0.00 -3.49 -0.03 0.00 0.56 0.00 0.00 36.38 33.41 3ml0 s VAL 508 CO 0.00 0.03 0.21 -0.13 -0.31 0.00 0.00 175.10 174.90 3ml0 s ARG 509 N -2.51 2.63 0.57 4.82 0.52 -1.26 -0.67 118.95 123.04 3ml0 s ARG 509 Ca 0.60 -1.33 -0.20 0.00 -0.52 0.00 0.00 55.73 54.28 3ml0 s ARG 509 Cb -0.29 -2.38 -0.04 0.00 0.52 0.00 0.00 34.95 32.76 3ml0 s ARG 509 CO 0.36 0.18 1.29 0.45 0.02 0.00 0.00 175.30 177.60 3ml0 s SER 510 N -3.90 5.19 0.63 0.23 0.15 -1.08 -4.92 113.70 110.00 3ml0 s SER 510 Ca 0.38 2.61 0.39 0.00 0.70 0.00 0.00 55.95 60.03 3ml0 s SER 510 Cb -0.05 -2.62 2.10 0.00 -1.71 0.00 0.00 66.02 63.73 3ml0 s SER 510 CO 0.25 -1.61 2.27 1.55 1.20 0.00 0.00 173.24 176.90 3ml0 h PRO 511 N 1.19 0.00 -1.09 5.44 0.13 -1.96 -2.70 132.00 133.01 3ml0 h PRO 511 Ca -0.51 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.95 3ml0 h PRO 511 Cb 1.30 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.12 3ml0 h PRO 511 CO 0.56 0.01 0.62 0.72 -0.23 0.00 0.00 178.00 179.68 3ml0 n HIS 512 N -3.27 3.14 -0.10 1.56 8.25 -1.26 -4.32 115.22 119.22 3ml0 n HIS 512 Ca -0.02 -2.84 -0.13 0.00 -0.26 0.00 0.00 57.72 54.47 3ml0 n HIS 512 Cb 0.12 -1.24 -0.10 0.00 1.12 0.00 0.00 29.99 29.89 3ml0 n HIS 512 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 3ml0 n TYR 513 N -0.84 0.00 -0.11 4.41 4.19 -1.02 -1.49 117.16 122.31 3ml0 n TYR 513 Ca 0.59 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.80 3ml0 n TYR 513 Cb 0.66 -0.79 0.00 0.00 0.49 0.00 0.00 39.34 39.70 3ml0 n TYR 513 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 3ml0 n GLU 514 N -2.99 1.22 0.27 2.98 1.02 -1.25 -3.33 120.64 118.56 3ml0 n GLU 514 Ca -0.34 -1.01 0.15 0.00 -0.02 0.00 0.00 57.16 55.95 3ml0 n GLU 514 Cb 0.92 -0.95 0.67 0.00 -0.02 0.00 0.00 31.44 32.06 3ml0 n GLU 514 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 3ml0 h ASP 515 N 0.00 0.00 -0.00 1.62 2.03 -1.74 -3.05 116.42 115.28 3ml0 h ASP 515 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3ml0 h ASP 515 Cb 0.35 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 3ml0 h ASP 515 CO 0.00 0.07 -0.53 0.00 -1.03 0.00 0.00 179.24 177.75 3ml0 n GLN 516 N -3.23 2.31 -0.06 4.15 6.02 -0.66 -4.51 117.38 121.40 3ml0 n GLN 516 Ca -0.00 -0.23 -0.12 0.00 -0.01 0.00 0.00 57.00 56.63 3ml0 n GLN 516 Cb 0.31 -1.16 -0.06 0.00 1.02 0.00 0.00 30.24 30.35 3ml0 n GLN 516 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3ml0 h LEU 517 N 0.50 0.36 -0.66 1.08 5.85 -1.27 -2.15 115.31 119.02 3ml0 h LEU 517 Ca 0.00 -0.39 -0.12 0.00 0.84 0.00 0.00 57.88 58.21 3ml0 h LEU 517 Cb 0.37 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3ml0 h LEU 517 CO 0.00 0.67 -0.58 0.50 -0.34 0.00 0.00 178.44 178.70 3ml0 h LYS 518 N 0.05 0.00 -0.05 1.25 1.63 -1.82 -2.94 116.57 114.69 3ml0 h LYS 518 Ca 0.04 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.69 3ml0 h LYS 518 Cb 0.53 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.14 3ml0 h LYS 518 CO 0.02 0.58 -0.63 1.25 -3.45 0.00 0.00 179.45 177.22 3ml0 h LEU 519 N 0.00 0.22 -0.45 5.20 5.85 -1.78 -3.19 115.31 121.16 3ml0 h LEU 519 Ca -0.01 -0.13 -0.17 0.00 0.84 0.00 0.00 57.88 58.41 3ml0 h LEU 519 Cb 1.14 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 3ml0 h LEU 519 CO 0.07 0.79 -0.66 0.22 -0.34 0.00 0.00 178.44 178.52 3ml0 h TYR 520 N 0.14 0.59 -0.44 1.25 3.20 -1.28 -2.26 116.97 118.17 3ml0 h TYR 520 Ca -0.01 -0.24 -0.07 0.00 3.14 0.00 0.00 58.73 61.55 3ml0 h TYR 520 Cb 1.14 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.29 3ml0 h TYR 520 CO 0.02 0.98 0.00 1.49 -1.64 0.00 0.00 178.16 179.01 3ml0 h GLU 521 N 0.32 0.71 -0.68 1.82 4.81 -1.51 -2.85 114.58 117.21 3ml0 h GLU 521 Ca -0.02 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3ml0 h GLU 521 Cb 1.22 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3ml0 h GLU 521 CO 0.12 0.73 0.00 0.09 -0.73 0.00 0.00 179.01 179.21 3ml0 n ASN 522 N -4.23 3.51 -1.79 1.04 3.02 -1.23 -4.90 115.26 110.68 3ml0 n ASN 522 Ca 0.02 -2.43 -0.19 0.00 -0.03 0.00 0.00 54.58 51.95 3ml0 n ASN 522 Cb 0.28 -0.54 -0.06 0.00 -0.61 0.00 0.00 39.78 38.85 3ml0 n ASN 522 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3ml0 n PHE 523 N 0.47 -0.39 -2.15 3.10 3.72 -1.08 -4.98 117.46 116.16 3ml0 n PHE 523 Ca 0.16 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.28 3ml0 n PHE 523 Cb 0.72 -3.37 0.16 0.00 -0.94 0.00 0.00 39.48 36.05 3ml0 n PHE 523 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3ml0 s GLU 524 N -4.01 0.99 -0.12 -1.08 2.02 -0.85 -5.05 118.70 110.60 3ml0 s GLU 524 Ca 0.00 -0.64 -0.12 0.00 0.02 0.00 0.00 54.97 54.23 3ml0 s GLU 524 Cb 0.00 -2.01 0.03 0.00 0.10 0.00 0.00 34.13 32.26 3ml0 s GLU 524 CO 0.00 -2.09 0.34 0.00 0.02 0.00 0.00 175.26 173.53 3ml0 s LYS 526 N 0.05 3.33 0.15 0.00 -2.85 -1.06 -4.96 119.74 114.40 3ml0 s LYS 526 Ca -0.01 -0.29 -0.28 0.00 -1.00 0.00 0.00 55.97 54.39 3ml0 s LYS 526 Cb -0.03 -3.06 -0.07 0.00 -2.06 0.00 0.00 37.83 32.61 3ml0 s LYS 526 CO 0.01 0.71 0.88 0.95 0.10 0.00 0.00 175.35 178.00 3ml0 s THR 527 N -1.16 4.39 -0.07 3.79 -4.23 -1.26 -2.48 115.64 114.63 3ml0 s THR 527 Ca 0.21 1.92 0.05 0.00 -1.18 0.00 0.00 61.69 62.69 3ml0 s THR 527 Cb -0.12 -4.25 -0.01 0.00 1.34 0.00 0.00 72.50 69.46 3ml0 s THR 527 CO 0.11 0.42 -0.24 -0.32 -0.54 0.00 0.00 174.62 174.05 3ml0 s MET 528 N -0.59 2.71 0.07 3.99 1.75 -1.08 -4.98 119.30 121.16 3ml0 s MET 528 Ca 0.41 -0.89 -0.31 0.00 -1.25 0.00 0.00 55.69 53.65 3ml0 s MET 528 Cb -0.24 -2.21 -0.07 0.00 2.84 0.00 0.00 34.83 35.15 3ml0 s MET 528 CO 0.28 0.33 1.41 -0.51 -0.65 0.00 0.00 175.02 175.88 3ml0 s ASP 529 N -0.02 6.82 -0.16 1.11 -0.00 -1.26 -4.52 116.67 118.63 3ml0 s ASP 529 Ca -0.08 2.25 -0.11 0.00 -0.00 0.00 0.00 52.55 54.62 3ml0 s ASP 529 Cb -0.15 -2.57 -0.07 0.00 -0.00 0.00 0.00 42.92 40.13 3ml0 s ASP 529 CO 0.05 -0.70 -0.25 0.55 -0.00 0.00 0.00 175.17 174.82 3ml0 n VAL 530 N 4.29 1.20 -2.44 -1.27 3.14 -1.26 -4.95 118.33 117.04 3ml0 n VAL 530 Ca 0.12 -0.11 -0.26 0.00 -2.96 0.00 0.00 64.34 61.13 3ml0 n VAL 530 Cb 0.43 -1.89 0.03 0.00 -1.06 0.00 0.00 33.84 31.35 3ml0 n VAL 530 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 3ml0 s THR 531 N -2.46 3.68 0.19 1.55 -4.23 -1.26 -4.94 115.64 108.16 3ml0 s THR 531 Ca -0.25 -0.03 0.35 0.00 -1.18 0.00 0.00 61.69 60.58 3ml0 s THR 531 Cb 0.08 -3.45 0.40 0.00 1.34 0.00 0.00 72.50 70.86 3ml0 s THR 531 CO 0.33 -0.46 2.05 0.45 -0.54 0.00 0.00 174.62 176.45 3ml0 h HIS 532 N -0.13 0.00 0.07 3.99 -0.00 -2.01 -3.21 115.15 113.85 3ml0 h HIS 532 Ca -0.45 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 59.91 3ml0 h HIS 532 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.67 3ml0 h HIS 532 CO 0.47 0.00 -0.03 0.00 -0.00 0.00 0.00 177.93 178.37 3ml0 h ALA 533 N 2.01 -0.09 0.00 2.45 0.00 -2.02 -3.37 119.26 118.24 3ml0 h ALA 533 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3ml0 h ALA 533 Cb 0.39 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ml0 h ALA 533 CO 0.00 -0.18 -0.31 -0.40 0.00 0.00 0.00 179.25 178.36 3ml0 n ASP 534 N -4.80 0.33 0.08 0.00 5.75 -1.24 -3.66 116.55 113.01 3ml0 n ASP 534 Ca -0.08 0.06 -0.06 0.00 -0.01 0.00 0.00 54.79 54.70 3ml0 n ASP 534 Cb 0.30 -0.05 0.10 0.00 -1.03 0.00 0.00 41.12 40.45 3ml0 n ASP 534 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 3ml0 h ILE 535 N 0.00 1.40 0.00 2.12 6.09 -1.71 -1.51 117.51 123.91 3ml0 h ILE 535 Ca 0.00 -2.08 -0.02 0.00 -1.37 0.00 0.00 64.86 61.39 3ml0 h ILE 535 Cb 0.52 2.07 -0.00 0.00 0.47 0.00 0.00 36.82 39.88 3ml0 h ILE 535 CO 0.00 0.61 -0.07 0.03 -3.07 0.00 0.00 178.15 175.65 3ml0 h ARG 536 N 0.17 0.00 0.19 2.19 3.08 -1.71 -2.98 114.38 115.31 3ml0 h ARG 536 Ca -0.01 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.69 3ml0 h ARG 536 Cb 1.17 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.23 3ml0 h ARG 536 CO 0.10 0.07 -1.73 0.00 -1.07 0.00 0.00 179.97 177.35 3ml0 h ARG 537 N 0.00 0.39 -0.68 0.04 3.08 -1.64 -3.36 114.38 112.21 3ml0 h ARG 537 Ca -0.00 -0.67 -0.02 0.00 0.07 0.00 0.00 59.98 59.36 3ml0 h ARG 537 Cb 1.04 0.25 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 3ml0 h ARG 537 CO 0.01 1.31 0.02 0.09 -1.07 0.00 0.00 179.97 180.33 3ml0 n ASN 538 N -3.59 4.79 -4.76 7.04 3.02 -0.58 -4.96 115.26 116.23 3ml0 n ASN 538 Ca -0.24 -2.78 -0.39 0.00 -0.03 0.00 0.00 54.58 51.15 3ml0 n ASN 538 Cb 1.08 -0.66 -0.06 0.00 -0.61 0.00 0.00 39.78 39.53 3ml0 n ASN 538 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ml0 s ALA 539 N -2.44 3.28 -0.26 5.41 0.00 -1.12 -4.99 121.76 121.64 3ml0 s ALA 539 Ca 0.44 0.64 -0.04 0.00 0.00 0.00 0.00 51.96 53.01 3ml0 s ALA 539 Cb 0.34 -3.23 -0.15 0.00 0.00 0.00 0.00 23.12 20.09 3ml0 s ALA 539 CO 0.13 0.09 -0.27 0.94 0.00 0.00 0.00 175.76 176.65 3ml0 n GLN 540 N 0.97 0.61 -3.82 0.00 7.27 -1.26 -5.03 117.38 116.11 3ml0 n GLN 540 Ca 0.00 0.19 -0.12 0.00 0.07 0.00 0.00 57.00 57.14 3ml0 n GLN 540 Cb 0.48 -1.49 -0.11 0.00 2.41 0.00 0.00 30.24 31.53 3ml0 n GLN 540 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 3ml0 s SER 541 N -6.81 -0.13 -0.04 1.69 1.04 -1.26 -5.16 113.70 103.02 3ml0 s SER 541 Ca -0.35 0.19 0.04 0.00 0.48 0.00 0.00 55.95 56.31 3ml0 s SER 541 Cb 0.11 0.33 -0.00 0.00 0.10 0.00 0.00 66.02 66.56 3ml0 s SER 541 CO 0.54 -0.17 -0.15 -0.55 0.98 0.00 0.00 173.24 173.88 3ml0 s SER 542 N -0.41 1.98 -0.04 7.02 0.15 -1.26 -5.13 113.70 116.00 3ml0 s SER 542 Ca -0.05 -0.32 -0.00 0.00 0.70 0.00 0.00 55.95 56.28 3ml0 s SER 542 Cb -0.03 -0.60 0.03 0.00 -1.71 0.00 0.00 66.02 63.71 3ml0 s SER 542 CO 0.01 0.12 -0.00 -0.89 1.20 0.00 0.00 173.24 173.68 3ml0 s THR 543 N 0.14 0.28 -0.19 6.45 2.01 -1.26 -5.14 115.64 117.93 3ml0 s THR 543 Ca -0.05 0.08 -0.09 0.00 0.31 0.00 0.00 61.69 61.94 3ml0 s THR 543 Cb -0.12 -0.39 -0.05 0.00 0.01 0.00 0.00 72.50 71.96 3ml0 s THR 543 CO 0.02 0.20 0.11 -0.32 -0.69 0.00 0.00 174.62 173.93 3ml0 s MET 544 N 1.36 4.07 0.18 4.92 1.75 -1.26 -5.10 119.30 125.22 3ml0 s MET 544 Ca -0.05 -0.26 0.06 0.00 -1.25 0.00 0.00 55.69 54.19 3ml0 s MET 544 Cb -0.13 -3.33 -0.04 0.00 2.84 0.00 0.00 34.83 34.17 3ml0 s MET 544 CO -0.02 0.32 0.12 -0.51 -0.65 0.00 0.00 175.02 174.27 3ml0 s LEU 545 N 0.29 3.73 -0.11 4.11 1.43 -1.26 -5.12 118.68 121.74 3ml0 s LEU 545 Ca 0.07 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.01 3ml0 s LEU 545 Cb -0.11 -2.33 0.01 0.00 0.03 0.00 0.00 46.19 43.78 3ml0 s LEU 545 CO -0.01 0.06 -0.20 -0.76 0.23 0.00 0.00 176.35 175.67 3ml0 s LEU 546 N -3.17 1.97 0.07 1.79 1.02 -1.26 -5.13 118.68 113.96 3ml0 s LEU 546 Ca 0.31 -0.52 0.09 0.00 0.02 0.00 0.00 54.13 54.02 3ml0 s LEU 546 Cb -0.10 -1.30 -0.03 0.00 0.02 0.00 0.00 46.19 44.79 3ml0 s LEU 546 CO 0.23 0.09 -0.24 0.27 0.02 0.00 0.00 176.35 176.71 3ml0 s ILE 547 N 0.69 1.97 -0.42 -0.59 -4.36 -1.26 -5.09 121.20 112.14 3ml0 s ILE 547 Ca -0.12 -1.41 0.07 0.00 -0.26 0.00 0.00 60.65 58.93 3ml0 s ILE 547 Cb -0.16 -1.71 0.22 0.00 1.25 0.00 0.00 42.46 42.06 3ml0 s ILE 547 CO 0.02 0.22 0.52 0.00 0.24 0.00 0.00 174.94 175.95 3ml0 n GLN 548 N 1.58 0.55 -2.35 0.37 -0.00 -1.26 -5.15 117.38 111.12 3ml0 n GLN 548 Ca -0.17 -2.95 -0.26 0.00 -0.00 0.00 0.00 57.00 53.61 3ml0 n GLN 548 Cb 0.53 -1.39 0.04 0.00 -0.00 0.00 0.00 30.24 29.41 3ml0 n GLN 548 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 3ml0 s PRO 549 N -0.46 2.72 -0.34 2.61 0.04 -1.26 -5.08 135.00 133.24 3ml0 s PRO 549 Ca 0.34 -0.10 -0.07 0.00 0.04 0.00 0.00 61.00 61.21 3ml0 s PRO 549 Cb 0.13 -2.25 0.04 0.00 0.04 0.00 0.00 34.50 32.45 3ml0 s PRO 549 CO -0.15 -0.84 0.11 1.14 0.04 0.00 0.00 177.00 177.30 3ml0 s GLN 550 N -5.05 2.64 0.00 4.56 0.00 -1.26 -5.36 119.66 115.19 3ml0 s GLN 550 Ca 0.56 -1.17 0.20 0.00 -0.00 0.00 0.00 55.36 54.95 3ml0 s GLN 550 Cb -0.11 -3.48 1.18 0.00 0.00 0.00 0.00 33.01 30.61 3ml0 s GLN 550 CO 0.45 -0.66 1.57 -2.30 0.00 0.00 0.00 175.29 174.35