#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mx0 n GLU 28 N 0.00 0.71 -3.85 1.64 1.02 -1.26 -4.19 120.64 114.71 3mx0 n GLU 28 Ca 0.00 0.25 -0.36 0.00 -0.02 0.00 0.00 57.16 57.03 3mx0 n GLU 28 Cb 0.00 -1.48 -0.13 0.00 -0.02 0.00 0.00 31.44 29.81 3mx0 n GLU 28 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3mx0 s VAL 29 N -0.91 3.71 0.18 2.62 1.01 -0.65 -4.98 120.40 121.37 3mx0 s VAL 29 Ca 0.63 -0.42 -0.18 0.00 0.00 0.00 0.00 61.98 62.02 3mx0 s VAL 29 Cb -0.83 -2.73 -0.08 0.00 0.00 0.00 0.00 36.38 32.74 3mx0 s VAL 29 CO 0.57 0.36 0.65 -0.69 0.00 0.00 0.00 175.10 175.99 3mx0 s VAL 30 N 1.52 4.69 -0.05 2.92 1.01 -1.26 -0.39 120.40 128.84 3mx0 s VAL 30 Ca 0.06 1.11 0.23 0.00 0.00 0.00 0.00 61.98 63.38 3mx0 s VAL 30 Cb -0.15 -3.82 0.43 0.00 0.00 0.00 0.00 36.38 32.84 3mx0 s VAL 30 CO -0.01 0.25 1.18 0.00 0.00 0.00 0.00 175.10 176.52 3mx0 n LEU 31 N 0.84 1.36 0.00 3.92 -0.00 0.10 -4.94 117.00 118.28 3mx0 n LEU 31 Ca -0.04 -2.40 0.00 0.00 -0.00 0.00 0.00 56.01 53.57 3mx0 n LEU 31 Cb 0.51 -0.10 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 3mx0 n LEU 31 CO 0.43 0.69 0.00 0.00 -0.00 0.00 0.00 177.39 178.51 3mx0 n LEU 32 N 0.16 0.00 -2.86 1.47 -0.00 -1.20 -4.88 117.00 109.69 3mx0 n LEU 32 Ca 0.09 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.98 3mx0 n LEU 32 Cb 1.05 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 44.49 3mx0 n LEU 32 CO -0.04 0.00 0.07 -0.67 -0.00 0.00 0.00 177.39 176.75 3mx0 n ASP 33 N 0.00 -2.30 -0.39 1.45 -0.08 -1.26 -2.08 116.55 111.89 3mx0 n ASP 33 Ca 0.00 -3.10 -0.03 0.00 -1.51 0.00 0.00 54.79 50.15 3mx0 n ASP 33 Cb 0.00 1.25 0.01 0.00 2.34 0.00 0.00 41.12 44.73 3mx0 n ASP 33 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 3mx0 n PHE 34 N 1.84 -0.06 -0.24 -0.67 7.35 -0.86 0.15 117.46 124.97 3mx0 n PHE 34 Ca 0.13 1.23 0.20 0.00 -0.76 0.00 0.00 57.45 58.26 3mx0 n PHE 34 Cb 0.59 -0.82 0.34 0.00 0.35 0.00 0.00 39.48 39.95 3mx0 n PHE 34 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3mx0 n ALA 35 N -3.43 0.70 0.24 3.13 0.00 -1.22 -0.23 120.51 119.70 3mx0 n ALA 35 Ca 0.09 0.44 0.07 0.00 0.00 0.00 0.00 53.44 54.03 3mx0 n ALA 35 Cb 0.37 -0.54 -0.09 0.00 0.00 0.00 0.00 19.45 19.19 3mx0 n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mx0 n ALA 36 N -2.56 2.98 0.08 0.00 0.00 0.39 -4.51 120.51 116.89 3mx0 n ALA 36 Ca 0.20 -0.34 0.04 0.00 0.00 0.00 0.00 53.44 53.34 3mx0 n ALA 36 Cb 0.80 -0.47 0.22 0.00 0.00 0.00 0.00 19.45 19.99 3mx0 n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mx0 n ALA 37 N -1.71 0.75 -1.11 0.00 0.00 0.68 -4.71 120.51 114.41 3mx0 n ALA 37 Ca -0.01 0.07 -0.04 0.00 0.00 0.00 0.00 53.44 53.47 3mx0 n ALA 37 Cb 0.30 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 18.88 3mx0 n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mx0 n GLY 38 N -1.32 0.67 2.40 0.00 0.00 -1.26 -2.26 105.19 103.41 3mx0 n GLY 38 Ca -0.01 -0.89 -0.17 0.00 0.00 0.00 0.00 46.02 44.95 3mx0 n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mx0 n GLY 39 N -2.52 0.01 1.20 -0.02 0.00 -1.26 -4.78 105.19 97.82 3mx0 n GLY 39 Ca -0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.03 3mx0 n GLY 39 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3mx0 n GLU 40 N -2.74 3.00 0.00 1.61 4.07 -0.96 -4.63 120.64 121.00 3mx0 n GLU 40 Ca -0.20 -1.79 0.00 0.00 -0.06 0.00 0.00 57.16 55.11 3mx0 n GLU 40 Cb 0.63 -1.81 0.00 0.00 -0.06 0.00 0.00 31.44 30.20 3mx0 n GLU 40 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 3mx0 n LEU 41 N 0.46 0.01 -0.65 4.31 0.00 -1.26 -5.08 117.00 114.78 3mx0 n LEU 41 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.17 3mx0 n LEU 41 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.13 3mx0 n LEU 41 CO 0.17 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.17 3mx0 n GLY 42 N 3.00 -1.36 3.95 -3.96 0.00 -1.26 -5.10 105.19 100.46 3mx0 n GLY 42 Ca 0.00 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.26 3mx0 n GLY 42 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3mx0 s TRP 43 N 0.00 3.35 0.72 1.61 0.51 -1.26 -4.97 118.94 118.90 3mx0 s TRP 43 Ca 0.00 0.26 -0.13 0.00 -2.12 0.00 0.00 56.10 54.11 3mx0 s TRP 43 Cb 0.00 -2.09 0.03 0.00 -0.81 0.00 0.00 33.47 30.60 3mx0 s TRP 43 CO 0.00 -0.10 1.11 -1.17 -0.51 0.00 0.00 176.95 176.28 3mx0 s LEU 44 N -4.42 3.22 0.08 2.99 0.20 -1.13 -4.89 118.68 114.73 3mx0 s LEU 44 Ca 0.44 1.97 0.04 0.00 0.69 0.00 0.00 54.13 57.27 3mx0 s LEU 44 Cb -0.10 -4.54 -0.03 0.00 -0.43 0.00 0.00 46.19 41.09 3mx0 s LEU 44 CO 0.37 -1.91 -0.11 0.42 -0.29 0.00 0.00 176.35 174.82 3mx0 s THR 45 N -2.53 0.92 -0.30 3.68 -4.23 -1.26 -2.13 115.64 109.78 3mx0 s THR 45 Ca 0.65 -1.40 -0.12 0.00 -1.18 0.00 0.00 61.69 59.65 3mx0 s THR 45 Cb -0.20 -1.09 0.18 0.00 1.34 0.00 0.00 72.50 72.72 3mx0 s THR 45 CO 0.48 -0.40 1.00 -2.28 -0.54 0.00 0.00 174.62 172.88 3mx0 s HIS 46 N -1.78 -0.65 0.12 3.99 5.04 -1.25 -3.94 115.29 116.81 3mx0 s HIS 46 Ca -0.01 0.73 -0.35 0.00 -1.54 0.00 0.00 55.06 53.89 3mx0 s HIS 46 Cb -0.07 0.24 -0.16 0.00 0.04 0.00 0.00 32.58 32.63 3mx0 s HIS 46 CO 0.01 -0.35 1.29 -0.35 -2.34 0.00 0.00 174.74 173.00 3mx0 n PRO 47 N 5.42 1.18 -2.05 2.88 -0.04 -1.26 -1.54 135.00 139.58 3mx0 n PRO 47 Ca -0.06 0.42 -0.42 0.00 -0.04 0.00 0.00 63.50 63.40 3mx0 n PRO 47 Cb 0.53 -2.03 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 3mx0 n PRO 47 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3mx0 s TYR 48 N 0.28 2.35 0.00 0.54 5.04 -1.25 -2.14 117.35 122.18 3mx0 s TYR 48 Ca 0.81 0.41 0.00 0.00 -2.44 0.00 0.00 57.07 55.85 3mx0 s TYR 48 Cb -0.91 -3.85 0.00 0.00 0.35 0.00 0.00 41.96 37.55 3mx0 s TYR 48 CO 0.48 -3.42 0.00 0.41 -1.34 0.00 0.00 175.55 171.68 3mx0 n GLY 49 N 3.95 0.00 0.05 8.97 0.00 -1.26 -4.61 105.19 112.30 3mx0 n GLY 49 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.25 3mx0 n GLY 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mx0 n LYS 50 N 0.10 1.72 0.00 1.61 4.76 -0.91 -4.86 118.16 120.59 3mx0 n LYS 50 Ca 0.00 -0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 3mx0 n LYS 50 Cb 0.12 -1.26 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 3mx0 n LYS 50 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mx0 n GLY 51 N 1.35 -0.13 3.99 0.72 0.00 -0.91 -4.91 105.19 105.31 3mx0 n GLY 51 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 3mx0 n GLY 51 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3mx0 s TRP 52 N 0.00 3.06 0.08 1.61 0.52 -1.26 -4.69 118.94 118.25 3mx0 s TRP 52 Ca 0.00 -0.19 -0.20 0.00 0.02 0.00 0.00 56.10 55.73 3mx0 s TRP 52 Cb 0.00 -2.14 0.05 0.00 -1.15 0.00 0.00 33.47 30.22 3mx0 s TRP 52 CO 0.00 -0.17 0.47 -0.51 0.02 0.00 0.00 176.95 176.76 3mx0 s ASP 53 N -4.22 -0.36 -0.47 2.95 1.01 -0.36 -4.73 116.67 110.48 3mx0 s ASP 53 Ca 0.48 -0.02 -0.21 0.00 0.71 0.00 0.00 52.55 53.51 3mx0 s ASP 53 Cb -0.10 0.48 0.03 0.00 1.01 0.00 0.00 42.92 44.35 3mx0 s ASP 53 CO 0.33 -0.77 0.71 -0.22 0.21 0.00 0.00 175.17 175.43 3mx0 s LEU 54 N -2.29 4.49 0.36 1.23 2.96 -1.26 -1.03 118.68 123.15 3mx0 s LEU 54 Ca -0.02 -0.42 0.07 0.00 -0.22 0.00 0.00 54.13 53.54 3mx0 s LEU 54 Cb -0.00 -2.73 -0.02 0.00 0.50 0.00 0.00 46.19 43.94 3mx0 s LEU 54 CO -0.06 -0.89 0.37 -0.04 -1.32 0.00 0.00 176.35 174.41 3mx0 s MET 55 N 3.04 2.78 -0.20 1.98 -1.94 0.18 -4.87 119.30 120.26 3mx0 s MET 55 Ca 0.24 -1.28 -0.05 0.00 -1.71 0.00 0.00 55.69 52.89 3mx0 s MET 55 Cb -0.15 -2.56 0.07 0.00 2.01 0.00 0.00 34.83 34.21 3mx0 s MET 55 CO 0.18 -0.00 0.10 1.14 -0.01 0.00 0.00 175.02 176.43 3mx0 s GLN 56 N -4.09 0.10 0.25 2.03 -2.07 -1.26 -1.26 119.66 113.36 3mx0 s GLN 56 Ca 0.45 -0.20 0.06 0.00 -1.82 0.00 0.00 55.36 53.84 3mx0 s GLN 56 Cb -0.06 -1.63 -0.03 0.00 -1.09 0.00 0.00 33.01 30.20 3mx0 s GLN 56 CO 0.28 -0.77 0.32 -0.80 -1.32 0.00 0.00 175.29 173.01 3mx0 s ASN 57 N 2.13 6.05 -0.41 12.60 0.01 -0.68 -4.91 114.94 129.74 3mx0 s ASN 57 Ca 0.04 -0.05 -0.15 0.00 -0.71 0.00 0.00 52.86 51.99 3mx0 s ASN 57 Cb -0.16 -1.66 0.02 0.00 0.41 0.00 0.00 41.25 39.85 3mx0 s ASN 57 CO -0.17 -0.10 0.32 -0.63 -1.51 0.00 0.00 177.10 175.01 3mx0 s ILE 58 N -2.05 5.24 0.16 0.60 -1.09 -1.26 -0.72 121.20 122.07 3mx0 s ILE 58 Ca 0.35 -0.59 0.06 0.00 -2.23 0.00 0.00 60.65 58.24 3mx0 s ILE 58 Cb -0.09 -3.94 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 3mx0 s ILE 58 CO 0.28 -0.31 0.03 -0.32 -1.23 0.00 0.00 174.94 173.38 3mx0 s MET 59 N 1.75 2.53 -0.29 2.79 1.75 -0.48 -4.64 119.30 122.70 3mx0 s MET 59 Ca 0.06 -1.01 -0.04 0.00 -1.25 0.00 0.00 55.69 53.45 3mx0 s MET 59 Cb -0.19 -2.45 0.04 0.00 2.84 0.00 0.00 34.83 35.07 3mx0 s MET 59 CO 0.11 0.48 0.09 0.09 -0.65 0.00 0.00 175.02 175.13 3mx0 n ASN 60 N -0.04 -1.06 -0.96 1.11 3.02 -1.26 0.16 115.26 116.24 3mx0 n ASN 60 Ca -0.10 0.20 -0.10 0.00 -0.03 0.00 0.00 54.58 54.55 3mx0 n ASN 60 Cb 0.54 -1.02 -0.02 0.00 -0.61 0.00 0.00 39.78 38.67 3mx0 n ASN 60 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3mx0 n ASP 61 N -1.54 -3.82 -3.76 6.41 8.00 -1.26 -5.00 116.55 115.58 3mx0 n ASP 61 Ca 0.02 0.12 -0.13 0.00 0.71 0.00 0.00 54.79 55.51 3mx0 n ASP 61 Cb 0.46 -2.63 -0.09 0.00 -0.02 0.00 0.00 41.12 38.84 3mx0 n ASP 61 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3mx0 s MET 62 N -3.66 0.57 0.55 -1.24 -1.94 0.43 -5.15 119.30 108.87 3mx0 s MET 62 Ca 0.00 0.04 -0.20 0.00 -1.71 0.00 0.00 55.69 53.82 3mx0 s MET 62 Cb 0.00 0.26 -0.05 0.00 2.01 0.00 0.00 34.83 37.05 3mx0 s MET 62 CO 0.00 -0.14 1.20 -2.14 -0.01 0.00 0.00 175.02 173.94 3mx0 s PRO 63 N -0.80 3.24 -0.12 2.03 0.02 -1.26 -1.39 135.00 136.73 3mx0 s PRO 63 Ca -0.09 1.83 -0.11 0.00 0.02 0.00 0.00 61.00 62.66 3mx0 s PRO 63 Cb -0.04 -2.09 0.03 0.00 0.02 0.00 0.00 34.50 32.42 3mx0 s PRO 63 CO 0.03 -0.99 0.31 0.96 -0.33 0.00 0.00 177.00 176.98 3mx0 s ILE 64 N -1.57 -0.00 0.14 2.83 -4.36 0.10 -4.81 121.20 113.52 3mx0 s ILE 64 Ca 0.73 0.01 0.11 0.00 -0.26 0.00 0.00 60.65 61.23 3mx0 s ILE 64 Cb -0.30 -0.44 -0.04 0.00 1.25 0.00 0.00 42.46 42.93 3mx0 s ILE 64 CO 0.34 0.00 -0.25 -0.31 0.24 0.00 0.00 174.94 174.97 3mx0 s TYR 65 N 0.24 2.36 -0.07 1.37 1.51 -1.26 -1.68 117.35 119.82 3mx0 s TYR 65 Ca -0.01 -0.35 -0.12 0.00 -1.01 0.00 0.00 57.07 55.58 3mx0 s TYR 65 Cb -0.03 -1.25 0.03 0.00 -0.11 0.00 0.00 41.96 40.60 3mx0 s TYR 65 CO -0.00 0.37 0.30 0.00 -1.11 0.00 0.00 175.55 175.11 3mx0 s MET 66 N -2.17 0.50 -0.49 -0.62 0.23 -0.39 -4.71 119.30 111.65 3mx0 s MET 66 Ca 0.16 0.12 -0.18 0.00 -1.03 0.00 0.00 55.69 54.76 3mx0 s MET 66 Cb -0.10 0.23 0.06 0.00 -1.53 0.00 0.00 34.83 33.50 3mx0 s MET 66 CO 0.07 -0.11 0.54 0.71 -2.03 0.00 0.00 175.02 174.21 3mx0 s TYR 67 N -0.56 3.12 0.12 3.16 2.02 -1.21 0.51 117.35 124.52 3mx0 s TYR 67 Ca -0.07 -0.68 0.08 0.00 -0.37 0.00 0.00 57.07 56.03 3mx0 s TYR 67 Cb -0.04 -3.40 -0.04 0.00 -0.40 0.00 0.00 41.96 38.08 3mx0 s TYR 67 CO 0.02 -0.94 -0.12 -1.54 -1.57 0.00 0.00 175.55 171.40 3mx0 s SER 68 N 2.65 4.23 0.22 2.29 1.04 -0.20 -2.85 113.70 121.08 3mx0 s SER 68 Ca 0.11 -0.47 0.04 0.00 0.48 0.00 0.00 55.95 56.10 3mx0 s SER 68 Cb -0.21 -0.73 -0.05 0.00 0.10 0.00 0.00 66.02 65.13 3mx0 s SER 68 CO 0.10 0.16 -0.02 0.54 0.98 0.00 0.00 173.24 175.00 3mx0 s VAL 69 N -1.29 1.08 0.00 5.02 0.11 -1.24 -1.22 120.40 122.85 3mx0 s VAL 69 Ca 0.21 -2.04 0.00 0.00 -2.93 0.00 0.00 61.98 57.22 3mx0 s VAL 69 Cb -0.10 -2.25 0.00 0.00 -1.53 0.00 0.00 36.38 32.50 3mx0 s VAL 69 CO 0.13 -0.41 0.00 0.00 -3.33 0.00 0.00 175.10 171.49 3mx0 n ASN 71 N 0.00 4.13 -0.58 0.00 3.02 -1.25 -4.87 115.26 115.71 3mx0 n ASN 71 Ca 0.00 -3.52 0.47 0.00 -0.03 0.00 0.00 54.58 51.50 3mx0 n ASN 71 Cb 0.00 -0.46 0.77 0.00 -0.61 0.00 0.00 39.78 39.48 3mx0 n ASN 71 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 3mx0 h VAL 72 N 2.68 0.10 0.00 2.41 -1.51 -1.85 -3.23 116.25 114.86 3mx0 h VAL 72 Ca 0.23 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.70 3mx0 h VAL 72 Cb 1.05 0.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.29 3mx0 h VAL 72 CO 0.76 0.00 -0.24 0.23 -1.23 0.00 0.00 177.57 177.10 3mx0 n MET 73 N -4.17 0.21 0.30 5.19 2.81 -1.26 -2.92 117.12 117.27 3mx0 n MET 73 Ca 0.40 0.37 0.00 0.00 -1.81 0.00 0.00 57.70 56.66 3mx0 n MET 73 Cb 1.75 -1.18 0.02 0.00 -0.71 0.00 0.00 33.22 33.11 3mx0 n MET 73 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 3mx0 h SER 74 N -0.46 0.00 0.00 7.83 0.02 -1.96 -3.45 113.55 115.52 3mx0 h SER 74 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3mx0 h SER 74 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 3mx0 h SER 74 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 3mx0 n GLY 75 N -1.44 2.12 3.49 -3.77 0.00 -1.26 -4.84 105.19 99.49 3mx0 n GLY 75 Ca -0.00 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 3mx0 n GLY 75 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3mx0 s ASP 76 N -2.86 6.69 -0.21 1.61 1.47 -1.26 -4.90 116.67 117.20 3mx0 s ASP 76 Ca 0.00 -2.09 -0.11 0.00 1.18 0.00 0.00 52.55 51.53 3mx0 s ASP 76 Cb 0.00 -2.46 -0.05 0.00 -0.34 0.00 0.00 42.92 40.08 3mx0 s ASP 76 CO 0.00 -1.13 0.18 -1.10 0.68 0.00 0.00 175.17 173.81 3mx0 s GLN 77 N 3.18 4.14 -0.40 2.11 -1.52 -1.26 -5.00 119.66 120.92 3mx0 s GLN 77 Ca 0.39 -0.17 0.08 0.00 -1.95 0.00 0.00 55.36 53.71 3mx0 s GLN 77 Cb -0.03 -3.48 0.26 0.00 -0.22 0.00 0.00 33.01 29.54 3mx0 s GLN 77 CO -0.07 0.16 0.58 -3.47 -0.25 0.00 0.00 175.29 172.25 3mx0 n ASP 78 N 3.94 -0.08 -4.42 5.90 2.03 -1.25 -4.20 116.55 118.46 3mx0 n ASP 78 Ca -0.14 -2.79 -0.37 0.00 0.52 0.00 0.00 54.79 52.01 3mx0 n ASP 78 Cb 0.52 -0.38 -0.12 0.00 -0.72 0.00 0.00 41.12 40.42 3mx0 n ASP 78 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 3mx0 s ASN 79 N -1.35 5.20 0.25 1.67 0.01 -1.13 -4.34 114.94 115.24 3mx0 s ASN 79 Ca 0.35 -0.36 0.03 0.00 -0.71 0.00 0.00 52.86 52.18 3mx0 s ASN 79 Cb 0.19 -1.93 0.04 0.00 0.41 0.00 0.00 41.25 39.96 3mx0 s ASN 79 CO -0.12 -0.09 0.31 0.79 -1.51 0.00 0.00 177.10 176.48 3mx0 n TRP 80 N 4.92 -2.78 -2.77 2.20 7.02 -0.59 -1.28 117.44 124.16 3mx0 n TRP 80 Ca -0.15 -0.78 0.00 0.00 -1.02 0.00 0.00 57.50 55.54 3mx0 n TRP 80 Cb 0.50 -0.21 0.01 0.00 -2.42 0.00 0.00 31.31 29.19 3mx0 n TRP 80 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 3mx0 s LEU 81 N 0.00 -0.42 0.35 -0.99 2.96 -1.14 -3.95 118.68 115.48 3mx0 s LEU 81 Ca 0.23 -0.30 -0.04 0.00 -0.22 0.00 0.00 54.13 53.81 3mx0 s LEU 81 Cb -0.02 0.55 -0.04 0.00 0.50 0.00 0.00 46.19 47.17 3mx0 s LEU 81 CO 0.15 -0.04 0.60 -0.60 -1.32 0.00 0.00 176.35 175.14 3mx0 s ARG 82 N 1.67 3.58 0.79 1.98 3.52 -0.91 -1.96 118.95 127.63 3mx0 s ARG 82 Ca 0.17 -0.04 -0.07 0.00 -0.13 0.00 0.00 55.73 55.66 3mx0 s ARG 82 Cb 0.05 -2.59 0.14 0.00 -1.56 0.00 0.00 34.95 30.99 3mx0 s ARG 82 CO -0.13 0.11 1.10 0.95 -0.81 0.00 0.00 175.30 176.52 3mx0 s THR 83 N -2.28 2.13 -0.31 4.11 -4.23 0.64 -2.85 115.64 112.84 3mx0 s THR 83 Ca 0.44 -0.33 -0.11 0.00 -1.18 0.00 0.00 61.69 60.51 3mx0 s THR 83 Cb -0.10 -2.80 -0.02 0.00 1.34 0.00 0.00 72.50 70.92 3mx0 s THR 83 CO 0.34 0.00 0.18 0.54 -0.54 0.00 0.00 174.62 175.15 3mx0 s ASN 84 N -4.74 5.76 -0.04 3.99 2.20 -1.26 -4.73 114.94 116.12 3mx0 s ASN 84 Ca 0.67 -0.40 -0.04 0.00 -0.94 0.00 0.00 52.86 52.16 3mx0 s ASN 84 Cb -0.06 -2.06 -0.02 0.00 -2.00 0.00 0.00 41.25 37.11 3mx0 s ASN 84 CO 0.47 -0.18 0.17 1.87 -2.94 0.00 0.00 177.10 176.49 3mx0 n TRP 85 N 5.03 0.11 -3.33 1.54 -0.00 -1.26 -4.85 117.44 114.68 3mx0 n TRP 85 Ca -0.14 0.07 -0.38 0.00 -0.00 0.00 0.00 57.50 57.05 3mx0 n TRP 85 Cb 0.50 -0.19 -0.07 0.00 -0.00 0.00 0.00 31.31 31.55 3mx0 n TRP 85 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 3mx0 s VAL 86 N 0.43 5.17 0.21 5.87 1.01 -0.66 -4.90 120.40 127.53 3mx0 s VAL 86 Ca 0.10 0.85 -0.30 0.00 0.00 0.00 0.00 61.98 62.62 3mx0 s VAL 86 Cb -0.13 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.38 3mx0 s VAL 86 CO 0.06 0.26 1.34 -0.47 0.00 0.00 0.00 175.10 176.28 3mx0 s TYR 87 N 1.17 3.21 -0.00 5.22 6.04 -1.26 0.11 117.35 131.84 3mx0 s TYR 87 Ca 0.22 1.17 -0.22 0.00 0.04 0.00 0.00 57.07 58.28 3mx0 s TYR 87 Cb -0.15 -3.65 -0.19 0.00 -1.04 0.00 0.00 41.96 36.93 3mx0 s TYR 87 CO 0.09 -2.06 1.22 -0.09 -1.54 0.00 0.00 175.55 173.17 3mx0 h ARG 88 N 5.34 0.24 0.00 4.97 2.43 -1.24 -3.47 114.38 122.66 3mx0 h ARG 88 Ca -0.45 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 58.55 3mx0 h ARG 88 Cb 1.21 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3mx0 h ARG 88 CO 0.78 0.77 0.00 0.41 -1.51 0.00 0.00 179.97 180.42 3mx0 n GLY 89 N 0.51 0.32 0.12 2.80 0.00 -1.26 -4.04 105.19 103.65 3mx0 n GLY 89 Ca -0.08 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 45.04 3mx0 n GLY 89 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3mx0 n GLU 90 N 11.29 0.68 -0.93 1.61 0.28 -1.26 -5.01 120.64 127.31 3mx0 n GLU 90 Ca 0.00 0.14 -0.31 0.00 -0.16 0.00 0.00 57.16 56.83 3mx0 n GLU 90 Cb 0.00 -1.59 -0.02 0.00 1.43 0.00 0.00 31.44 31.27 3mx0 n GLU 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3mx0 n ALA 91 N -2.98 -2.33 -0.02 -1.84 0.00 -1.26 -4.93 120.51 107.15 3mx0 n ALA 91 Ca -0.36 0.23 -0.00 0.00 0.00 0.00 0.00 53.44 53.31 3mx0 n ALA 91 Cb 1.06 -1.06 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3mx0 n ALA 91 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3mx0 n GLU 92 N 0.74 1.80 -3.79 0.00 1.02 -1.26 -4.70 120.64 114.45 3mx0 n GLU 92 Ca 0.11 -0.03 -0.24 0.00 -0.02 0.00 0.00 57.16 56.98 3mx0 n GLU 92 Cb 0.20 -1.15 -0.17 0.00 -0.02 0.00 0.00 31.44 30.30 3mx0 n GLU 92 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3mx0 s ARG 93 N -2.27 0.75 -0.00 3.49 1.70 -1.26 -0.70 118.95 120.66 3mx0 s ARG 93 Ca -0.03 -0.02 -0.01 0.00 -0.47 0.00 0.00 55.73 55.20 3mx0 s ARG 93 Cb 0.03 -1.23 -0.04 0.00 -0.57 0.00 0.00 34.95 33.14 3mx0 s ARG 93 CO 0.25 -0.35 0.13 0.96 -1.08 0.00 0.00 175.30 175.21 3mx0 s ILE 94 N 1.92 5.07 -0.06 4.99 -5.25 -0.28 -4.66 121.20 122.93 3mx0 s ILE 94 Ca 0.04 -0.30 0.03 0.00 -0.99 0.00 0.00 60.65 59.42 3mx0 s ILE 94 Cb -0.13 -3.35 -0.03 0.00 2.95 0.00 0.00 42.46 41.90 3mx0 s ILE 94 CO -0.06 0.32 -0.13 -0.36 -1.79 0.00 0.00 174.94 172.93 3mx0 s PHE 95 N -1.27 2.76 -0.26 1.37 2.99 0.62 -2.08 117.98 122.10 3mx0 s PHE 95 Ca 0.25 -0.14 0.01 0.00 0.00 0.00 0.00 56.93 57.05 3mx0 s PHE 95 Cb -0.12 -1.66 0.07 0.00 0.00 0.00 0.00 43.02 41.31 3mx0 s PHE 95 CO 0.17 0.20 -0.01 0.42 -0.00 0.00 0.00 175.22 175.99 3mx0 s ILE 96 N -0.68 1.56 -0.68 0.64 1.01 -0.00 -0.81 121.20 122.23 3mx0 s ILE 96 Ca 0.10 -1.44 -0.14 0.00 0.00 0.00 0.00 60.65 59.17 3mx0 s ILE 96 Cb -0.11 -1.93 0.17 0.00 0.01 0.00 0.00 42.46 40.61 3mx0 s ILE 96 CO 0.01 -0.28 0.62 -0.70 0.00 0.00 0.00 174.94 174.60 3mx0 s GLU 97 N 1.34 3.25 0.15 2.79 2.12 0.98 -2.87 118.70 126.46 3mx0 s GLU 97 Ca -0.01 -2.12 -0.30 0.00 0.36 0.00 0.00 54.97 52.90 3mx0 s GLU 97 Cb -0.19 -4.32 -0.07 0.00 0.26 0.00 0.00 34.13 29.82 3mx0 s GLU 97 CO -0.09 -1.30 1.06 -0.51 -0.54 0.00 0.00 175.26 173.88 3mx0 s LEU 98 N 0.81 4.49 -0.13 2.70 1.43 0.16 -3.69 118.68 124.45 3mx0 s LEU 98 Ca 0.11 1.99 -0.02 0.00 -1.03 0.00 0.00 54.13 55.18 3mx0 s LEU 98 Cb -0.20 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.47 3mx0 s LEU 98 CO -0.03 -0.19 0.02 -0.54 0.23 0.00 0.00 176.35 175.84 3mx0 s LYS 99 N -0.17 0.65 0.13 1.70 1.02 -0.39 -0.97 119.74 121.71 3mx0 s LYS 99 Ca 0.49 -0.15 -0.16 0.00 0.02 0.00 0.00 55.97 56.17 3mx0 s LYS 99 Cb -0.27 -1.55 0.03 0.00 -0.52 0.00 0.00 37.83 35.52 3mx0 s LYS 99 CO 0.33 -0.47 0.40 -0.59 -0.92 0.00 0.00 175.35 174.10 3mx0 s PHE 100 N 1.92 -0.16 -0.08 3.18 -0.00 -1.09 0.10 117.98 121.85 3mx0 s PHE 100 Ca 0.02 -0.16 0.02 0.00 -0.00 0.00 0.00 56.93 56.81 3mx0 s PHE 100 Cb -0.15 0.25 -0.02 0.00 -0.00 0.00 0.00 43.02 43.10 3mx0 s PHE 100 CO -0.07 -0.72 -0.14 0.95 -0.00 0.00 0.00 175.22 175.25 3mx0 s THR 101 N -3.82 3.03 0.19 -4.49 -4.23 -1.19 -0.31 115.64 104.82 3mx0 s THR 101 Ca 0.04 -0.71 0.06 0.00 -1.18 0.00 0.00 61.69 59.90 3mx0 s THR 101 Cb 0.02 -2.22 -0.04 0.00 1.34 0.00 0.00 72.50 71.60 3mx0 s THR 101 CO -0.11 0.57 0.14 0.54 -0.54 0.00 0.00 174.62 175.22 3mx0 s VAL 102 N -0.31 4.41 -0.01 2.29 0.11 -1.26 -0.78 120.40 124.85 3mx0 s VAL 102 Ca 0.03 -1.20 0.07 0.00 -2.93 0.00 0.00 61.98 57.94 3mx0 s VAL 102 Cb -0.13 -3.29 -0.02 0.00 -1.53 0.00 0.00 36.38 31.42 3mx0 s VAL 102 CO 0.03 -0.18 -0.22 -0.60 -3.33 0.00 0.00 175.10 170.79 3mx0 s ARG 103 N -3.30 1.78 -0.01 1.54 3.52 -0.86 -2.46 118.95 119.16 3mx0 s ARG 103 Ca 0.31 -0.82 -0.39 0.00 -0.13 0.00 0.00 55.73 54.70 3mx0 s ARG 103 Cb -0.09 -1.74 -0.18 0.00 -1.56 0.00 0.00 34.95 31.38 3mx0 s ARG 103 CO 0.23 0.47 1.33 -3.47 -0.81 0.00 0.00 175.30 173.05 3mx0 n ASP 104 N 2.45 1.24 0.00 -2.12 -0.08 -1.10 -4.72 116.55 112.21 3mx0 n ASP 104 Ca -0.16 1.13 0.14 0.00 -1.51 0.00 0.00 54.79 54.39 3mx0 n ASP 104 Cb 0.52 -1.09 0.78 0.00 2.34 0.00 0.00 41.12 43.67 3mx0 n ASP 104 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3mx0 n ASN 106 N -1.11 3.01 -0.70 0.00 3.02 -1.26 -4.14 115.26 114.08 3mx0 n ASN 106 Ca 0.18 -3.37 0.07 0.00 -0.03 0.00 0.00 54.58 51.43 3mx0 n ASN 106 Cb 0.14 -0.56 0.19 0.00 -0.61 0.00 0.00 39.78 38.94 3mx0 n ASN 106 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3mx0 n SER 107 N -0.92 3.29 -4.47 6.41 3.41 -1.08 -4.90 113.62 115.35 3mx0 n SER 107 Ca 0.25 -2.50 -0.43 0.00 -0.26 0.00 0.00 58.87 55.93 3mx0 n SER 107 Cb 0.91 -0.37 -0.07 0.00 -0.26 0.00 0.00 64.21 64.41 3mx0 n SER 107 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3mx0 s PHE 108 N -1.90 3.11 0.10 7.33 0.08 -1.26 -4.91 117.98 120.53 3mx0 s PHE 108 Ca 0.31 -0.39 -0.31 0.00 0.12 0.00 0.00 56.93 56.66 3mx0 s PHE 108 Cb 0.22 -3.23 -0.12 0.00 -0.57 0.00 0.00 43.02 39.32 3mx0 s PHE 108 CO 0.11 -0.86 1.61 -1.35 -0.10 0.00 0.00 175.22 174.63 3mx0 h PRO 109 N 8.86 -0.66 -0.82 0.24 0.11 -1.95 -1.70 132.00 136.08 3mx0 h PRO 109 Ca -0.27 0.05 0.08 0.00 0.11 0.00 0.00 66.00 65.97 3mx0 h PRO 109 Cb 1.10 0.15 -0.06 0.00 0.11 0.00 0.00 31.00 32.31 3mx0 h PRO 109 CO 0.88 -0.44 0.53 0.78 -0.21 0.00 0.00 178.00 179.54 3mx0 h GLY 110 N -0.69 1.12 0.00 -0.55 0.00 -2.01 -3.45 103.07 97.49 3mx0 h GLY 110 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3mx0 h GLY 110 CO -0.13 0.22 0.00 0.61 0.00 0.00 0.00 176.54 177.24 3mx0 n GLY 111 N -1.43 1.58 0.00 4.60 0.00 -0.64 -4.93 105.19 104.37 3mx0 n GLY 111 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3mx0 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mx0 n ALA 112 N 0.00 -0.36 0.03 4.61 0.00 -1.26 -4.84 120.51 118.69 3mx0 n ALA 112 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3mx0 n ALA 112 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3mx0 n ALA 112 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3mx0 h SER 113 N 0.08 0.71 -0.39 0.00 0.02 -1.92 -3.33 113.55 108.72 3mx0 h SER 113 Ca 0.00 -0.49 0.11 0.00 -0.84 0.00 0.00 61.79 60.57 3mx0 h SER 113 Cb 0.00 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 3mx0 h SER 113 CO 0.00 1.27 0.93 0.28 -1.14 0.00 0.00 176.83 178.17 3mx0 h SER 114 N 0.38 0.00 -0.46 3.07 0.02 -1.90 -3.41 113.55 111.24 3mx0 h SER 114 Ca -0.06 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.55 3mx0 h SER 114 Cb 1.44 0.00 0.04 0.00 0.14 0.00 0.00 62.40 64.02 3mx0 h SER 114 CO 0.15 0.00 -0.12 0.00 -1.14 0.00 0.00 176.83 175.72 3mx0 s LYS 116 N -0.25 2.00 0.00 0.00 1.02 0.21 -4.97 119.74 117.75 3mx0 s LYS 116 Ca 0.36 -2.23 0.00 0.00 0.02 0.00 0.00 55.97 54.12 3mx0 s LYS 116 Cb -0.51 -1.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.77 3mx0 s LYS 116 CO 0.26 -0.38 0.66 0.39 -0.92 0.00 0.00 175.35 175.36 3mx0 n GLU 117 N -1.02 0.51 -4.59 1.68 1.02 -1.26 -4.42 120.64 112.56 3mx0 n GLU 117 Ca -0.10 -0.84 -0.23 0.00 -0.02 0.00 0.00 57.16 55.97 3mx0 n GLU 117 Cb 0.66 -0.97 -0.14 0.00 -0.02 0.00 0.00 31.44 30.97 3mx0 n GLU 117 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3mx0 s THR 118 N -0.36 1.28 0.16 2.62 -4.23 -1.26 -4.46 115.64 109.38 3mx0 s THR 118 Ca 0.00 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 3mx0 s THR 118 Cb 0.00 -1.10 -0.00 0.00 1.34 0.00 0.00 72.50 72.74 3mx0 s THR 118 CO 0.00 0.20 0.01 2.22 -0.54 0.00 0.00 174.62 176.51 3mx0 n PHE 119 N 2.26 0.32 -4.63 3.99 1.16 -1.17 -4.45 117.46 114.94 3mx0 n PHE 119 Ca -0.16 -0.83 -0.28 0.00 -1.87 0.00 0.00 57.45 54.30 3mx0 n PHE 119 Cb 0.54 -0.09 -0.14 0.00 -1.61 0.00 0.00 39.48 38.19 3mx0 n PHE 119 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 3mx0 s ASN 120 N -1.90 3.03 -0.17 5.98 -0.87 -1.00 -1.89 114.94 118.11 3mx0 s ASN 120 Ca 0.01 -0.64 -0.02 0.00 -1.57 0.00 0.00 52.86 50.65 3mx0 s ASN 120 Cb 0.00 -0.24 -0.01 0.00 -0.02 0.00 0.00 41.25 40.98 3mx0 s ASN 120 CO 0.01 0.20 -0.09 -0.22 -2.57 0.00 0.00 177.10 174.43 3mx0 s LEU 121 N -1.56 2.81 0.24 0.60 2.96 -0.11 -3.65 118.68 119.98 3mx0 s LEU 121 Ca 0.11 -0.35 0.07 0.00 -0.22 0.00 0.00 54.13 53.74 3mx0 s LEU 121 Cb -0.10 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.87 3mx0 s LEU 121 CO 0.03 0.08 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.74 3mx0 s TYR 122 N 0.86 1.83 0.04 5.38 1.51 -1.08 -0.88 117.35 125.01 3mx0 s TYR 122 Ca -0.02 -0.64 -0.03 0.00 -1.01 0.00 0.00 57.07 55.36 3mx0 s TYR 122 Cb -0.15 -0.95 -0.02 0.00 -0.11 0.00 0.00 41.96 40.73 3mx0 s TYR 122 CO 0.01 0.31 0.03 1.52 -1.11 0.00 0.00 175.55 176.31 3mx0 s TYR 123 N -3.00 0.34 -0.12 2.71 -0.85 -0.38 -1.86 117.35 114.19 3mx0 s TYR 123 Ca 0.26 -0.75 -0.06 0.00 -0.52 0.00 0.00 57.07 56.01 3mx0 s TYR 123 Cb 0.02 -0.24 0.05 0.00 0.38 0.00 0.00 41.96 42.16 3mx0 s TYR 123 CO 0.09 -0.36 0.27 0.00 -1.52 0.00 0.00 175.55 174.03 3mx0 s ALA 124 N -3.08 -0.63 -0.18 9.51 0.00 0.15 -1.75 121.76 125.78 3mx0 s ALA 124 Ca -0.01 1.07 -0.13 0.00 0.00 0.00 0.00 51.96 52.90 3mx0 s ALA 124 Cb 0.02 -0.71 -0.05 0.00 0.00 0.00 0.00 23.12 22.38 3mx0 s ALA 124 CO -0.07 -0.24 0.25 -1.21 0.00 0.00 0.00 175.76 174.49 3mx0 s GLU 125 N 1.38 4.22 -0.02 0.00 2.02 -1.26 0.15 118.70 125.18 3mx0 s GLU 125 Ca -0.09 -0.00 0.01 0.00 0.02 0.00 0.00 54.97 54.92 3mx0 s GLU 125 Cb -0.10 -3.44 0.01 0.00 0.10 0.00 0.00 34.13 30.70 3mx0 s GLU 125 CO -0.09 0.22 -0.05 0.45 0.02 0.00 0.00 175.26 175.81 3mx0 s SER 126 N 0.53 0.81 0.00 -0.19 0.15 0.20 -4.97 113.70 110.24 3mx0 s SER 126 Ca 0.14 -0.12 0.12 0.00 0.70 0.00 0.00 55.95 56.79 3mx0 s SER 126 Cb -0.13 -0.27 0.64 0.00 -1.71 0.00 0.00 66.02 64.56 3mx0 s SER 126 CO 0.03 0.01 1.22 0.47 1.20 0.00 0.00 173.24 176.16 3mx0 n ASP 127 N 3.53 0.00 -1.81 5.45 9.92 -1.26 -2.62 116.55 129.75 3mx0 n ASP 127 Ca -0.20 -0.09 -0.05 0.00 -0.53 0.00 0.00 54.79 53.92 3mx0 n ASP 127 Cb 0.54 -0.16 0.01 0.00 -0.64 0.00 0.00 41.12 40.86 3mx0 n ASP 127 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3mx0 n LEU 128 N -1.16 0.00 -5.00 0.64 -0.00 -1.26 -4.71 117.00 105.50 3mx0 n LEU 128 Ca 0.07 -1.17 -0.21 0.00 -0.00 0.00 0.00 56.01 54.70 3mx0 n LEU 128 Cb 0.07 1.54 0.07 0.00 -0.00 0.00 0.00 43.42 45.10 3mx0 n LEU 128 CO 0.08 -0.36 0.41 -0.62 -0.00 0.00 0.00 177.39 176.90 3mx0 s ASP 129 N -1.93 4.91 0.00 1.45 -1.08 -1.26 -4.93 116.67 113.83 3mx0 s ASP 129 Ca 0.09 -0.44 0.00 0.00 -0.52 0.00 0.00 52.55 51.67 3mx0 s ASP 129 Cb -0.02 -0.17 0.00 0.00 -1.46 0.00 0.00 42.92 41.28 3mx0 s ASP 129 CO 0.06 -1.44 0.28 -1.22 0.52 0.00 0.00 175.17 173.38 3mx0 n TYR 130 N -2.45 0.00 0.00 -5.34 0.53 -1.26 -5.05 117.16 103.59 3mx0 n TYR 130 Ca 0.13 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.01 3mx0 n TYR 130 Cb 0.60 0.05 0.00 0.00 -1.03 0.00 0.00 39.34 38.97 3mx0 n TYR 130 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3mx0 n GLY 131 N 0.00 -0.06 0.00 2.72 0.00 -1.26 -0.48 105.19 106.11 3mx0 n GLY 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3mx0 n GLY 131 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mx0 n THR 132 N 0.00 0.00 -1.66 2.61 -2.24 -1.26 -4.97 114.28 106.76 3mx0 n THR 132 Ca 0.00 0.00 -0.57 0.00 -2.27 0.00 0.00 64.05 61.21 3mx0 n THR 132 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 3mx0 n THR 132 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3mx0 n ASN 133 N -0.19 1.85 -3.34 3.42 4.05 0.37 -4.93 115.26 116.48 3mx0 n ASN 133 Ca 0.00 1.11 -0.25 0.00 0.45 0.00 0.00 54.58 55.88 3mx0 n ASN 133 Cb 0.00 -1.11 -0.09 0.00 1.23 0.00 0.00 39.78 39.81 3mx0 n ASN 133 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 3mx0 s PHE 134 N 2.32 0.87 -0.27 1.20 5.36 -1.26 -4.84 117.98 121.36 3mx0 s PHE 134 Ca 0.95 -2.18 -0.29 0.00 -0.96 0.00 0.00 56.93 54.44 3mx0 s PHE 134 Cb -1.10 -0.82 0.01 0.00 -0.34 0.00 0.00 43.02 40.77 3mx0 s PHE 134 CO 0.61 -0.86 1.17 -1.14 -1.46 0.00 0.00 175.22 173.54 3mx0 s GLN 135 N 0.14 4.09 0.00 10.12 2.00 -1.26 -4.89 119.66 129.86 3mx0 s GLN 135 Ca 0.33 1.28 0.22 0.00 -2.00 0.00 0.00 55.36 55.19 3mx0 s GLN 135 Cb 0.03 -3.76 1.24 0.00 0.80 0.00 0.00 33.01 31.32 3mx0 s GLN 135 CO -0.19 -0.88 1.71 1.17 -0.50 0.00 0.00 175.29 176.61 3mx0 n LYS 136 N 6.84 0.53 -0.82 1.67 4.81 -1.26 -3.55 118.16 126.39 3mx0 n LYS 136 Ca 0.13 0.04 -0.02 0.00 -0.87 0.00 0.00 58.31 57.59 3mx0 n LYS 136 Cb 0.46 -1.50 0.27 0.00 0.02 0.00 0.00 35.03 34.28 3mx0 n LYS 136 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 3mx0 n ARG 137 N -1.13 3.05 -0.14 1.64 1.85 -1.26 -4.09 116.66 116.59 3mx0 n ARG 137 Ca 0.14 -3.04 0.01 0.00 -1.00 0.00 0.00 57.85 53.96 3mx0 n ARG 137 Cb 0.12 -2.03 0.02 0.00 -1.05 0.00 0.00 32.46 29.52 3mx0 n ARG 137 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3mx0 n LEU 138 N -0.50 0.64 -4.32 2.89 4.77 -1.23 -4.96 117.00 114.29 3mx0 n LEU 138 Ca 0.34 -0.97 -0.44 0.00 -0.03 0.00 0.00 56.01 54.91 3mx0 n LEU 138 Cb 1.19 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 42.23 3mx0 n LEU 138 CO 0.31 0.24 1.22 0.49 -1.33 0.00 0.00 177.39 178.32 3mx0 n PHE 139 N -0.25 4.67 -1.55 -1.77 0.99 -1.26 -4.57 117.46 113.72 3mx0 n PHE 139 Ca 0.02 -3.44 -0.53 0.00 -0.00 0.00 0.00 57.45 53.50 3mx0 n PHE 139 Cb 0.52 -1.92 -0.06 0.00 -1.00 0.00 0.00 39.48 37.02 3mx0 n PHE 139 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 3mx0 n THR 140 N 3.52 0.36 -2.54 4.37 -1.04 -0.72 -4.37 114.28 113.87 3mx0 n THR 140 Ca 0.32 -0.09 -0.43 0.00 -2.04 0.00 0.00 64.05 61.81 3mx0 n THR 140 Cb 0.40 -0.52 -0.02 0.00 -1.82 0.00 0.00 70.33 68.37 3mx0 n THR 140 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3mx0 s LYS 141 N 0.02 3.98 0.00 -2.82 2.20 -1.26 -1.24 119.74 120.62 3mx0 s LYS 141 Ca 0.82 1.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.56 3mx0 s LYS 141 Cb -1.03 -3.81 0.00 0.00 -1.51 0.00 0.00 37.83 31.48 3mx0 s LYS 141 CO 0.52 -1.02 0.44 -0.89 -0.36 0.00 0.00 175.35 174.03 3mx0 n ILE 142 N 6.07 0.00 -3.46 5.43 5.41 -0.06 -4.98 119.36 127.77 3mx0 n ILE 142 Ca 0.13 0.83 -0.12 0.00 1.00 0.00 0.00 62.75 64.59 3mx0 n ILE 142 Cb 0.47 -1.60 -0.03 0.00 -0.71 0.00 0.00 39.64 37.77 3mx0 n ILE 142 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3mx0 s ASP 143 N -1.91 -0.53 0.06 4.38 2.15 -1.14 -5.01 116.67 114.67 3mx0 s ASP 143 Ca 0.00 0.15 -0.29 0.00 0.43 0.00 0.00 52.55 52.85 3mx0 s ASP 143 Cb 0.00 0.53 -0.05 0.00 -0.30 0.00 0.00 42.92 43.10 3mx0 s ASP 143 CO 0.00 -0.80 0.92 -0.89 -0.17 0.00 0.00 175.17 174.23 3mx0 s THR 144 N -3.01 4.66 0.08 1.71 2.01 -1.26 -0.93 115.64 118.90 3mx0 s THR 144 Ca -0.01 1.97 0.04 0.00 0.31 0.00 0.00 61.69 64.00 3mx0 s THR 144 Cb -0.01 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 3mx0 s THR 144 CO -0.07 0.28 0.04 -0.63 -0.69 0.00 0.00 174.62 173.55 3mx0 s ILE 145 N 0.28 4.30 0.02 1.82 -1.09 -0.79 -4.98 121.20 120.76 3mx0 s ILE 145 Ca 0.46 -0.86 -0.27 0.00 -2.23 0.00 0.00 60.65 57.75 3mx0 s ILE 145 Cb -0.22 -3.06 0.07 0.00 -1.58 0.00 0.00 42.46 37.66 3mx0 s ILE 145 CO 0.28 0.13 0.62 0.00 -1.23 0.00 0.00 174.94 174.73 3mx0 s ALA 146 N -1.35 -1.62 -0.10 9.38 0.00 -1.26 -3.04 121.76 123.77 3mx0 s ALA 146 Ca 0.28 0.97 -0.30 0.00 0.00 0.00 0.00 51.96 52.92 3mx0 s ALA 146 Cb -0.12 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 3mx0 s ALA 146 CO 0.20 -0.48 1.07 -1.25 0.00 0.00 0.00 175.76 175.31 3mx0 s PRO 147 N -1.99 4.39 0.49 0.00 0.05 -1.26 -4.94 135.00 131.74 3mx0 s PRO 147 Ca -0.07 1.48 0.26 0.00 0.05 0.00 0.00 61.00 62.71 3mx0 s PRO 147 Cb -0.01 -3.55 1.32 0.00 0.05 0.00 0.00 34.50 32.31 3mx0 s PRO 147 CO 0.03 -0.38 1.87 -0.44 0.05 0.00 0.00 177.00 178.13 3mx0 h ASP 148 N 7.24 0.17 -5.11 6.66 3.45 -1.94 -3.44 116.42 123.45 3mx0 h ASP 148 Ca -0.31 0.02 -0.06 0.00 0.43 0.00 0.00 57.03 57.11 3mx0 h ASP 148 Cb 1.15 -0.01 -0.13 0.00 -0.56 0.00 0.00 39.33 39.78 3mx0 h ASP 148 CO 0.87 0.06 -0.17 -0.70 -1.57 0.00 0.00 179.24 177.73 3mx0 s GLU 149 N -5.17 1.03 0.00 3.56 2.12 -1.26 -5.11 118.70 113.88 3mx0 s GLU 149 Ca -0.06 -0.83 0.04 0.00 0.36 0.00 0.00 54.97 54.47 3mx0 s GLU 149 Cb 0.22 0.43 -0.01 0.00 0.26 0.00 0.00 34.13 35.03 3mx0 s GLU 149 CO 0.78 -0.39 -0.11 0.42 -0.54 0.00 0.00 175.26 175.42 3mx0 s ILE 150 N -3.84 0.88 -0.54 -3.70 -1.09 -1.26 -4.64 121.20 107.01 3mx0 s ILE 150 Ca 0.05 -0.59 -0.24 0.00 -2.23 0.00 0.00 60.65 57.64 3mx0 s ILE 150 Cb 0.03 -0.76 0.04 0.00 -1.58 0.00 0.00 42.46 40.19 3mx0 s ILE 150 CO -0.10 0.16 0.94 -0.89 -1.23 0.00 0.00 174.94 173.82 3mx0 s THR 151 N -0.42 4.40 0.54 2.92 2.01 -1.03 -4.91 115.64 119.15 3mx0 s THR 151 Ca 0.03 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.37 3mx0 s THR 151 Cb -0.05 -4.52 0.03 0.00 0.01 0.00 0.00 72.50 67.96 3mx0 s THR 151 CO -0.00 -1.07 0.77 -0.69 -0.69 0.00 0.00 174.62 172.94 3mx0 s VAL 152 N 3.91 2.96 0.13 3.82 1.01 -1.26 -2.72 120.40 128.26 3mx0 s VAL 152 Ca 0.31 -0.58 -0.32 0.00 0.00 0.00 0.00 61.98 61.40 3mx0 s VAL 152 Cb -0.12 -3.12 -0.09 0.00 0.00 0.00 0.00 36.38 33.05 3mx0 s VAL 152 CO 0.20 -0.09 1.56 0.28 0.00 0.00 0.00 175.10 177.05 3mx0 h SER 153 N 0.08 -1.70 -1.37 3.32 0.02 -1.91 0.25 113.55 112.24 3mx0 h SER 153 Ca -0.43 0.22 0.40 0.00 -0.84 0.00 0.00 61.79 61.14 3mx0 h SER 153 Cb 1.29 0.69 -0.05 0.00 0.14 0.00 0.00 62.40 64.47 3mx0 h SER 153 CO 0.54 -0.42 1.30 -1.20 -1.14 0.00 0.00 176.83 175.90 3mx0 n SER 154 N -5.41 0.00 0.06 3.07 7.64 -1.26 -0.75 113.62 116.98 3mx0 n SER 154 Ca -0.04 0.84 -0.03 0.00 1.01 0.00 0.00 58.87 60.65 3mx0 n SER 154 Cb 0.36 -0.34 -0.08 0.00 -1.01 0.00 0.00 64.21 63.14 3mx0 n SER 154 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3mx0 h ASP 155 N 0.00 0.00 0.33 6.43 3.32 -0.87 -3.36 116.42 122.28 3mx0 h ASP 155 Ca 0.65 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.68 3mx0 h ASP 155 Cb 3.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.79 3mx0 h ASP 155 CO -0.01 0.79 -0.16 -0.26 -1.72 0.00 0.00 179.24 177.88 3mx0 h PHE 156 N 0.00 -0.42 -0.50 4.55 -1.00 -0.86 -0.76 116.94 117.95 3mx0 h PHE 156 Ca -0.09 -0.01 0.15 0.00 2.81 0.00 0.00 57.97 60.82 3mx0 h PHE 156 Cb 1.68 0.14 -0.02 0.00 3.61 0.00 0.00 35.95 41.36 3mx0 h PHE 156 CO 0.00 -0.26 0.57 1.05 -1.61 0.00 0.00 178.31 178.06 3mx0 h GLU 157 N -1.10 0.00 0.00 1.51 -0.00 -1.72 0.76 114.58 114.03 3mx0 h GLU 157 Ca -0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 59.36 59.21 3mx0 h GLU 157 Cb 0.34 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.07 3mx0 h GLU 157 CO 0.08 0.00 -2.08 0.00 -0.00 0.00 0.00 179.01 177.00 3mx0 n ALA 158 N -2.31 2.43 -2.10 1.06 0.00 -1.25 -5.06 120.51 113.27 3mx0 n ALA 158 Ca 0.10 -0.74 -0.04 0.00 0.00 0.00 0.00 53.44 52.76 3mx0 n ALA 158 Cb 0.76 -0.57 0.02 0.00 0.00 0.00 0.00 19.45 19.66 3mx0 n ALA 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3mx0 n ARG 159 N -2.38 -0.99 -3.94 0.00 1.74 0.26 -5.07 116.66 106.28 3mx0 n ARG 159 Ca -0.12 0.21 -0.36 0.00 -0.77 0.00 0.00 57.85 56.81 3mx0 n ARG 159 Cb 0.72 -2.88 -0.08 0.00 -1.02 0.00 0.00 32.46 29.21 3mx0 n ARG 159 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3mx0 s HIS 160 N -3.09 3.43 -0.29 -1.55 2.46 -0.87 -5.04 115.29 110.33 3mx0 s HIS 160 Ca 0.07 0.36 -0.24 0.00 0.47 0.00 0.00 55.06 55.72 3mx0 s HIS 160 Cb -0.01 -1.99 -0.00 0.00 -0.13 0.00 0.00 32.58 30.45 3mx0 s HIS 160 CO 0.18 0.50 0.80 0.08 -2.47 0.00 0.00 174.74 173.83 3mx0 s VAL 161 N -0.45 4.80 -0.55 0.89 1.01 -1.26 -4.78 120.40 120.06 3mx0 s VAL 161 Ca 0.11 1.26 -0.11 0.00 0.00 0.00 0.00 61.98 63.25 3mx0 s VAL 161 Cb -0.12 -4.14 0.14 0.00 0.00 0.00 0.00 36.38 32.26 3mx0 s VAL 161 CO 0.02 -0.22 0.44 -0.54 0.00 0.00 0.00 175.10 174.80 3mx0 s LYS 162 N 2.94 2.73 -0.48 2.72 1.02 -1.26 -5.04 119.74 122.38 3mx0 s LYS 162 Ca 0.33 -1.92 -0.02 0.00 0.02 0.00 0.00 55.97 54.37 3mx0 s LYS 162 Cb -0.14 -4.05 0.13 0.00 -0.52 0.00 0.00 37.83 33.25 3mx0 s LYS 162 CO 0.12 -1.23 0.28 -1.17 -0.92 0.00 0.00 175.35 172.42 3mx0 s LEU 163 N 1.11 5.19 -0.14 3.17 2.96 -1.26 -4.50 118.68 125.21 3mx0 s LEU 163 Ca 0.08 -2.35 -0.29 0.00 -0.22 0.00 0.00 54.13 51.34 3mx0 s LEU 163 Cb -0.24 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 3mx0 s LEU 163 CO -0.01 -0.47 1.76 0.20 -1.32 0.00 0.00 176.35 176.51 3mx0 s ASN 164 N 1.33 6.33 0.22 3.68 0.01 0.57 -4.76 114.94 122.32 3mx0 s ASN 164 Ca 0.12 1.96 -0.27 0.00 -0.71 0.00 0.00 52.86 53.95 3mx0 s ASN 164 Cb -0.22 -2.53 -0.09 0.00 0.41 0.00 0.00 41.25 38.83 3mx0 s ASN 164 CO -0.04 -1.25 0.86 -0.69 -1.51 0.00 0.00 177.10 174.47 3mx0 s VAL 165 N 5.25 4.24 -0.18 1.60 1.01 -1.26 -2.66 120.40 128.40 3mx0 s VAL 165 Ca 0.78 1.85 -0.12 0.00 0.00 0.00 0.00 61.98 64.50 3mx0 s VAL 165 Cb -0.31 -4.19 0.05 0.00 0.00 0.00 0.00 36.38 31.94 3mx0 s VAL 165 CO 0.32 0.46 0.44 -1.61 0.00 0.00 0.00 175.10 174.71 3mx0 s GLU 166 N -1.30 0.46 0.12 2.72 0.41 -0.14 -4.90 118.70 116.07 3mx0 s GLU 166 Ca 0.40 0.76 0.07 0.00 -0.41 0.00 0.00 54.97 55.79 3mx0 s GLU 166 Cb -0.23 0.09 -0.04 0.00 -1.78 0.00 0.00 34.13 32.17 3mx0 s GLU 166 CO 0.28 -0.12 -0.16 -2.00 -0.49 0.00 0.00 175.26 172.76 3mx0 s GLU 167 N 1.00 1.07 0.27 1.61 2.12 -1.26 0.39 118.70 123.89 3mx0 s GLU 167 Ca -0.06 -1.21 -0.21 0.00 0.36 0.00 0.00 54.97 53.84 3mx0 s GLU 167 Cb -0.06 -1.09 0.02 0.00 0.26 0.00 0.00 34.13 33.26 3mx0 s GLU 167 CO -0.08 0.23 0.71 1.03 -0.54 0.00 0.00 175.26 176.60 3mx0 s ARG 168 N -2.38 1.75 0.33 4.30 1.81 -1.14 -4.99 118.95 118.62 3mx0 s ARG 168 Ca 0.08 -0.95 -0.07 0.00 -1.72 0.00 0.00 55.73 53.07 3mx0 s ARG 168 Cb -0.07 0.61 0.01 0.00 -0.45 0.00 0.00 34.95 35.05 3mx0 s ARG 168 CO 0.04 -0.80 0.52 -1.12 -0.68 0.00 0.00 175.30 173.26 3mx0 s SER 169 N -2.91 0.53 0.00 0.23 0.01 -1.26 -0.82 113.70 109.48 3mx0 s SER 169 Ca 0.10 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 56.06 3mx0 s SER 169 Cb -0.06 0.67 0.00 0.00 0.21 0.00 0.00 66.02 66.85 3mx0 s SER 169 CO 0.05 -1.32 0.00 0.55 0.41 0.00 0.00 173.24 172.93 3mx0 n VAL 170 N -0.51 0.00 -3.94 3.43 3.14 -0.88 -4.99 118.33 114.57 3mx0 n VAL 170 Ca -0.01 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.41 3mx0 n VAL 170 Cb 0.61 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.40 3mx0 n VAL 170 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3mx0 s GLY 171 N 0.00 -0.25 0.01 7.55 0.00 -1.26 -1.13 107.32 112.25 3mx0 s GLY 171 Ca 0.00 0.27 -0.30 0.00 0.00 0.00 0.00 44.72 44.69 3mx0 s GLY 171 CO 0.00 5.36 1.00 2.56 0.00 0.00 0.00 173.10 182.01 3mx0 s PRO 172 N -2.03 4.56 0.53 2.90 0.04 -1.23 -4.96 135.00 134.82 3mx0 s PRO 172 Ca 0.28 1.45 -0.17 0.00 0.04 0.00 0.00 61.00 62.61 3mx0 s PRO 172 Cb 0.01 -3.44 -0.07 0.00 0.04 0.00 0.00 34.50 31.04 3mx0 s PRO 172 CO -0.03 -0.05 1.01 -0.51 0.04 0.00 0.00 177.00 177.46 3mx0 s LEU 173 N 0.95 3.63 -0.01 -3.56 1.43 0.12 -4.98 118.68 116.26 3mx0 s LEU 173 Ca 0.52 1.69 0.01 0.00 -1.03 0.00 0.00 54.13 55.32 3mx0 s LEU 173 Cb -0.22 -4.52 0.02 0.00 0.03 0.00 0.00 46.19 41.50 3mx0 s LEU 173 CO 0.28 -0.76 0.74 1.07 0.23 0.00 0.00 176.35 177.91 3mx0 n THR 174 N -1.59 0.39 -4.21 5.49 5.66 -1.26 -4.85 114.28 113.90 3mx0 n THR 174 Ca 0.07 -0.41 -0.15 0.00 -3.05 0.00 0.00 64.05 60.51 3mx0 n THR 174 Cb 0.54 0.72 -0.08 0.00 -1.55 0.00 0.00 70.33 69.95 3mx0 n THR 174 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 3mx0 s ARG 175 N -0.45 1.51 0.52 1.09 0.52 -1.26 -5.06 118.95 115.82 3mx0 s ARG 175 Ca 0.02 -1.78 0.34 0.00 -0.52 0.00 0.00 55.73 53.80 3mx0 s ARG 175 Cb 0.02 0.32 1.60 0.00 0.52 0.00 0.00 34.95 37.41 3mx0 s ARG 175 CO 0.00 -0.55 2.03 1.57 0.02 0.00 0.00 175.30 178.38 3mx0 h LYS 176 N 2.36 0.00 -2.23 3.54 2.10 -1.85 -3.41 116.57 117.08 3mx0 h LYS 176 Ca -0.30 0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.46 3mx0 h LYS 176 Cb 1.24 0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 32.41 3mx0 h LYS 176 CO 0.44 0.00 0.50 0.20 -2.00 0.00 0.00 179.45 178.59 3mx0 s GLY 177 N -4.03 -0.45 0.38 0.07 0.00 -1.08 -0.85 107.32 101.35 3mx0 s GLY 177 Ca -0.00 1.07 0.05 0.00 0.00 0.00 0.00 44.72 45.84 3mx0 s GLY 177 CO 0.46 0.38 0.18 1.97 0.00 0.00 0.00 173.10 176.09 3mx0 n PHE 178 N -0.18 -0.13 -4.13 1.90 1.16 0.31 0.61 117.46 116.99 3mx0 n PHE 178 Ca -0.09 -2.61 -0.15 0.00 -1.87 0.00 0.00 57.45 52.73 3mx0 n PHE 178 Cb 0.61 0.08 -0.14 0.00 -1.61 0.00 0.00 39.48 38.42 3mx0 n PHE 178 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 3mx0 s TYR 179 N -3.13 0.43 0.12 2.97 2.02 0.39 -1.65 117.35 118.50 3mx0 s TYR 179 Ca 0.26 -0.10 0.04 0.00 -0.37 0.00 0.00 57.07 56.90 3mx0 s TYR 179 Cb 0.01 -0.28 -0.04 0.00 -0.40 0.00 0.00 41.96 41.26 3mx0 s TYR 179 CO 0.18 -0.01 0.13 -0.51 -1.57 0.00 0.00 175.55 173.77 3mx0 s LEU 180 N -0.17 3.87 0.15 -1.29 1.43 -1.26 0.33 118.68 121.73 3mx0 s LEU 180 Ca 0.01 -0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 3mx0 s LEU 180 Cb -0.02 -2.50 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 3mx0 s LEU 180 CO -0.00 0.12 0.16 0.00 0.23 0.00 0.00 176.35 176.85 3mx0 s ALA 181 N -1.59 0.50 -0.30 4.21 0.00 -0.78 -0.26 121.76 123.54 3mx0 s ALA 181 Ca 0.31 -1.22 -0.03 0.00 0.00 0.00 0.00 51.96 51.01 3mx0 s ALA 181 Cb -0.11 0.87 0.10 0.00 0.00 0.00 0.00 23.12 23.99 3mx0 s ALA 181 CO 0.23 -0.56 0.13 -0.06 0.00 0.00 0.00 175.76 175.51 3mx0 s PHE 182 N -4.02 0.50 -0.28 0.00 0.08 -0.83 -2.64 117.98 110.79 3mx0 s PHE 182 Ca 0.21 -1.02 -0.16 0.00 0.12 0.00 0.00 56.93 56.08 3mx0 s PHE 182 Cb 0.06 -0.99 -0.03 0.00 -0.57 0.00 0.00 43.02 41.48 3mx0 s PHE 182 CO 0.01 -0.83 0.41 -1.14 -0.10 0.00 0.00 175.22 173.57 3mx0 s GLN 183 N 1.98 3.94 0.32 0.44 0.74 -1.24 -2.88 119.66 122.95 3mx0 s GLN 183 Ca 0.10 0.03 -0.14 0.00 0.05 0.00 0.00 55.36 55.40 3mx0 s GLN 183 Cb -0.17 -3.69 -0.09 0.00 1.10 0.00 0.00 33.01 30.17 3mx0 s GLN 183 CO -0.33 -0.35 0.71 0.34 -0.55 0.00 0.00 175.29 175.11 3mx0 s ASP 184 N 1.65 6.74 -0.14 6.67 2.15 -0.40 -2.37 116.67 130.96 3mx0 s ASP 184 Ca 0.16 1.22 0.16 0.00 0.43 0.00 0.00 52.55 54.52 3mx0 s ASP 184 Cb -0.16 -2.35 0.42 0.00 -0.30 0.00 0.00 42.92 40.53 3mx0 s ASP 184 CO 0.10 -0.20 1.31 2.30 -0.17 0.00 0.00 175.17 178.51 3mx0 n ILE 185 N -0.40 1.97 0.00 4.11 -5.35 -1.26 -2.83 119.36 115.60 3mx0 n ILE 185 Ca 0.03 -1.83 0.00 0.00 -0.27 0.00 0.00 62.75 60.68 3mx0 n ILE 185 Cb 0.53 -0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.30 3mx0 n ILE 185 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mx0 n GLY 186 N -0.63 -0.09 3.82 3.28 0.00 -1.26 -4.39 105.19 105.91 3mx0 n GLY 186 Ca 0.18 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 3mx0 n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mx0 s ALA 187 N 0.00 -0.85 -0.38 4.61 0.00 -1.26 0.66 121.76 124.54 3mx0 s ALA 187 Ca 0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 51.96 51.25 3mx0 s ALA 187 Cb 0.00 0.69 0.10 0.00 0.00 0.00 0.00 23.12 23.90 3mx0 s ALA 187 CO 0.00 -1.00 0.15 0.00 0.00 0.00 0.00 175.76 174.91 3mx0 s VAL 189 N 1.13 2.43 -0.45 0.00 -7.23 -0.90 -2.02 120.40 113.36 3mx0 s VAL 189 Ca 0.06 -2.10 0.05 0.00 -1.81 0.00 0.00 61.98 58.18 3mx0 s VAL 189 Cb -0.22 -2.71 0.19 0.00 0.56 0.00 0.00 36.38 34.20 3mx0 s VAL 189 CO -0.04 -0.20 0.41 0.00 -0.31 0.00 0.00 175.10 174.95 3mx0 n ALA 190 N -0.87 2.88 -1.78 1.32 0.00 0.04 -3.70 120.51 118.41 3mx0 n ALA 190 Ca -0.05 -3.38 -0.24 0.00 0.00 0.00 0.00 53.44 49.78 3mx0 n ALA 190 Cb 0.63 -0.80 -0.09 0.00 0.00 0.00 0.00 19.45 19.19 3mx0 n ALA 190 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3mx0 n LEU 191 N 2.40 2.34 0.19 0.00 0.00 -1.13 -3.18 117.00 117.62 3mx0 n LEU 191 Ca 0.27 -2.84 0.05 0.00 0.00 0.00 0.00 56.01 53.49 3mx0 n LEU 191 Cb 0.47 -1.67 0.35 0.00 0.00 0.00 0.00 43.42 42.57 3mx0 n LEU 191 CO 0.13 -2.53 0.69 -0.07 0.00 0.00 0.00 177.39 175.61 3mx0 h LEU 192 N 19.58 0.00 -6.85 -1.96 3.38 0.37 -3.20 115.31 126.63 3mx0 h LEU 192 Ca 0.14 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3mx0 h LEU 192 Cb 0.94 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.44 3mx0 h LEU 192 CO 1.19 0.39 -0.31 -0.55 0.09 0.00 0.00 178.44 179.25 3mx0 s SER 193 N -6.57 -0.53 0.10 -0.43 0.15 -0.92 -4.34 113.70 101.16 3mx0 s SER 193 Ca -0.01 1.01 0.05 0.00 0.70 0.00 0.00 55.95 57.69 3mx0 s SER 193 Cb 0.12 1.65 -0.04 0.00 -1.71 0.00 0.00 66.02 66.04 3mx0 s SER 193 CO 0.70 -0.24 0.03 -0.69 1.20 0.00 0.00 173.24 174.24 3mx0 s VAL 194 N 2.70 4.17 -0.29 4.45 1.01 -1.26 -1.26 120.40 129.92 3mx0 s VAL 194 Ca 0.02 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.03 3mx0 s VAL 194 Cb -0.13 -3.02 0.19 0.00 0.00 0.00 0.00 36.38 33.43 3mx0 s VAL 194 CO -0.16 0.08 0.75 -0.60 0.00 0.00 0.00 175.10 175.17 3mx0 s ARG 195 N -2.46 0.42 -0.14 2.72 3.52 -1.24 -2.02 118.95 119.75 3mx0 s ARG 195 Ca 0.27 0.40 -0.03 0.00 -0.13 0.00 0.00 55.73 56.24 3mx0 s ARG 195 Cb -0.11 0.18 -0.03 0.00 -1.56 0.00 0.00 34.95 33.43 3mx0 s ARG 195 CO 0.20 -0.78 -0.04 0.08 -0.81 0.00 0.00 175.30 173.94 3mx0 s VAL 196 N 2.86 3.88 0.18 7.11 1.01 -0.88 -0.01 120.40 134.54 3mx0 s VAL 196 Ca 0.16 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 3mx0 s VAL 196 Cb -0.07 -2.68 -0.00 0.00 0.00 0.00 0.00 36.38 33.63 3mx0 s VAL 196 CO -0.25 0.52 0.35 -0.72 0.00 0.00 0.00 175.10 175.00 3mx0 s TYR 197 N 0.12 0.29 0.30 5.22 -0.85 0.01 0.02 117.35 122.47 3mx0 s TYR 197 Ca -0.01 -0.65 0.01 0.00 -0.52 0.00 0.00 57.07 55.90 3mx0 s TYR 197 Cb -0.14 0.06 -0.00 0.00 0.38 0.00 0.00 41.96 42.26 3mx0 s TYR 197 CO 0.03 -0.78 0.03 2.48 -1.52 0.00 0.00 175.55 175.79 3mx0 n TYR 198 N -0.26 0.53 -4.47 -3.49 0.18 0.47 -0.28 117.16 109.85 3mx0 n TYR 198 Ca -0.07 -1.63 -0.24 0.00 1.88 0.00 0.00 57.90 57.83 3mx0 n TYR 198 Cb 0.63 -0.14 -0.17 0.00 -0.38 0.00 0.00 39.34 39.28 3mx0 n TYR 198 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3mx0 s LYS 199 N -3.12 1.52 0.12 -3.48 1.02 -1.26 -1.64 119.74 112.91 3mx0 s LYS 199 Ca 0.05 -0.34 0.10 0.00 0.02 0.00 0.00 55.97 55.79 3mx0 s LYS 199 Cb 0.00 -1.30 -0.04 0.00 -0.52 0.00 0.00 37.83 35.97 3mx0 s LYS 199 CO 0.03 -0.01 -0.23 -1.59 -0.92 0.00 0.00 175.35 172.63 3mx0 s LYS 200 N 0.76 1.56 0.08 1.68 -2.85 -1.26 0.17 119.74 119.87 3mx0 s LYS 200 Ca -0.13 -1.28 -0.27 0.00 -1.00 0.00 0.00 55.97 53.29 3mx0 s LYS 200 Cb -0.15 -1.99 -0.06 0.00 -2.06 0.00 0.00 37.83 33.57 3mx0 s LYS 200 CO 0.02 0.46 0.86 0.00 0.10 0.00 0.00 175.35 176.79 3mx0 s PRO 202 N -0.05 3.13 -0.10 0.00 0.04 -1.26 -3.18 135.00 133.58 3mx0 s PRO 202 Ca 0.42 0.90 -0.31 0.00 0.04 0.00 0.00 61.00 62.06 3mx0 s PRO 202 Cb -0.22 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 3mx0 s PRO 202 CO 0.26 -0.95 2.05 -1.91 0.04 0.00 0.00 177.00 176.50 3mx0 n GLU 203 N -3.01 2.31 -3.95 4.56 2.13 -1.19 -4.54 120.64 116.96 3mx0 n GLU 203 Ca 0.07 0.78 -0.23 0.00 0.66 0.00 0.00 57.16 58.45 3mx0 n GLU 203 Cb 0.54 -2.97 -0.17 0.00 0.27 0.00 0.00 31.44 29.11 3mx0 n GLU 203 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3mx0 s LEU 204 N 5.82 0.97 -0.25 4.31 1.98 -0.76 -5.03 118.68 125.72 3mx0 s LEU 204 Ca 0.95 -0.14 -0.08 0.00 -2.89 0.00 0.00 54.13 51.97 3mx0 s LEU 204 Cb -0.49 -0.52 -0.03 0.00 0.66 0.00 0.00 46.19 45.81 3mx0 s LEU 204 CO 0.43 -0.13 0.09 -0.76 -1.89 0.00 0.00 176.35 174.08 3mx0 s LEU 205 N 1.53 3.54 -0.29 -0.68 1.43 -1.26 -1.72 118.68 121.23 3mx0 s LEU 205 Ca -0.01 -0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 52.76 3mx0 s LEU 205 Cb -0.13 -1.95 0.17 0.00 0.03 0.00 0.00 46.19 44.30 3mx0 s LEU 205 CO -0.04 -0.02 1.07 -1.58 0.23 0.00 0.00 176.35 176.01 3mx0 s GLN 206 N 1.56 0.28 0.00 1.70 0.74 -1.18 -4.94 119.66 117.81 3mx0 s GLN 206 Ca 0.06 0.47 0.00 0.00 0.05 0.00 0.00 55.36 55.94 3mx0 s GLN 206 Cb -0.15 0.06 0.00 0.00 1.10 0.00 0.00 33.01 34.02 3mx0 s GLN 206 CO 0.05 -0.06 0.00 0.41 -0.55 0.00 0.00 175.29 175.14 3mx0 n GLY 207 N 3.40 0.81 3.67 2.59 0.00 -1.26 -3.72 105.19 110.69 3mx0 n GLY 207 Ca -0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 3mx0 n GLY 207 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mx0 n LEU 208 N 0.00 -3.22 -3.93 0.99 4.77 -1.26 -2.14 117.00 112.21 3mx0 n LEU 208 Ca 0.00 -0.60 -0.09 0.00 -0.03 0.00 0.00 56.01 55.29 3mx0 n LEU 208 Cb 0.00 -2.92 -0.09 0.00 -2.33 0.00 0.00 43.42 38.08 3mx0 n LEU 208 CO 0.00 0.60 -0.20 0.00 -1.33 0.00 0.00 177.39 176.46 3mx0 s ALA 209 N -3.32 -0.02 -0.30 -1.18 0.00 -1.24 -3.32 121.76 112.38 3mx0 s ALA 209 Ca 0.59 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.88 3mx0 s ALA 209 Cb -0.27 0.31 0.05 0.00 0.00 0.00 0.00 23.12 23.21 3mx0 s ALA 209 CO 0.76 -0.37 -0.01 -1.58 0.00 0.00 0.00 175.76 174.55 3mx0 s HIS 210 N -3.11 3.28 -0.13 0.00 2.46 0.90 -3.13 115.29 115.56 3mx0 s HIS 210 Ca -0.01 -1.96 -0.16 0.00 0.47 0.00 0.00 55.06 53.41 3mx0 s HIS 210 Cb 0.02 -2.11 -0.04 0.00 -0.13 0.00 0.00 32.58 30.31 3mx0 s HIS 210 CO -0.07 -0.82 0.38 -0.06 -2.47 0.00 0.00 174.74 171.70 3mx0 s PHE 211 N 1.23 3.50 0.00 3.88 0.08 -0.70 -1.71 117.98 124.26 3mx0 s PHE 211 Ca -0.05 0.75 0.00 0.00 0.12 0.00 0.00 56.93 57.75 3mx0 s PHE 211 Cb -0.20 -2.43 0.00 0.00 -0.57 0.00 0.00 43.02 39.82 3mx0 s PHE 211 CO -0.02 0.24 0.00 -2.30 -0.10 0.00 0.00 175.22 173.04 3mx0 n PRO 212 N 3.49 0.00 -3.20 0.24 -0.02 -1.26 -1.83 135.00 132.42 3mx0 n PRO 212 Ca -0.10 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.28 3mx0 n PRO 212 Cb 0.52 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.95 3mx0 n PRO 212 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3mx0 s GLU 213 N 0.00 0.81 0.07 -0.52 2.12 -1.26 -3.16 118.70 116.77 3mx0 s GLU 213 Ca 0.00 -0.90 -0.10 0.00 0.36 0.00 0.00 54.97 54.33 3mx0 s GLU 213 Cb 0.00 -0.44 -0.06 0.00 0.26 0.00 0.00 34.13 33.89 3mx0 s GLU 213 CO 0.00 -1.25 0.40 0.95 -0.54 0.00 0.00 175.26 174.82 3mx0 s THR 214 N 1.26 5.09 -0.12 -1.70 -4.23 -1.19 -4.90 115.64 109.85 3mx0 s THR 214 Ca 0.21 0.48 -0.19 0.00 -1.18 0.00 0.00 61.69 61.01 3mx0 s THR 214 Cb -0.07 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 3mx0 s THR 214 CO -0.06 0.31 0.52 -0.63 -0.54 0.00 0.00 174.62 174.22 3mx0 s ILE 215 N -1.37 5.15 0.79 2.99 -1.09 -1.26 -0.22 121.20 126.19 3mx0 s ILE 215 Ca 0.32 1.04 -0.16 0.00 -2.23 0.00 0.00 60.65 59.62 3mx0 s ILE 215 Cb -0.14 -3.86 -0.09 0.00 -1.58 0.00 0.00 42.46 36.79 3mx0 s ILE 215 CO 0.18 0.29 -0.04 0.00 -1.23 0.00 0.00 174.94 174.14 3mx0 n ALA 216 N 3.83 -3.24 -3.43 9.38 0.00 0.44 -4.86 120.51 122.63 3mx0 n ALA 216 Ca -0.06 -0.39 -0.12 0.00 0.00 0.00 0.00 53.44 52.88 3mx0 n ALA 216 Cb 0.51 -1.53 0.01 0.00 0.00 0.00 0.00 19.45 18.45 3mx0 n ALA 216 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mx0 n GLY 217 N 2.38 2.56 0.00 0.00 0.00 -1.26 -4.65 105.19 104.22 3mx0 n GLY 217 Ca 0.05 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.87 3mx0 n GLY 217 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3mx0 n SER 218 N -2.21 0.00 -2.44 1.61 2.88 -1.26 -4.68 113.62 107.52 3mx0 n SER 218 Ca 0.02 0.31 -0.24 0.00 -1.33 0.00 0.00 58.87 57.63 3mx0 n SER 218 Cb 0.27 -0.40 -0.01 0.00 -0.75 0.00 0.00 64.21 63.33 3mx0 n SER 218 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3mx0 n ASP 219 N -1.85 -1.38 -0.30 -3.46 8.00 -1.26 -4.87 116.55 111.44 3mx0 n ASP 219 Ca 0.00 0.50 -0.02 0.00 0.71 0.00 0.00 54.79 55.98 3mx0 n ASP 219 Cb 0.00 -0.51 0.10 0.00 -0.02 0.00 0.00 41.12 40.69 3mx0 n ASP 219 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mx0 h ALA 220 N 0.28 1.08 0.00 2.24 0.00 -2.02 -3.32 119.26 117.52 3mx0 h ALA 220 Ca -0.19 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 3mx0 h ALA 220 Cb 0.81 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3mx0 h ALA 220 CO 0.28 0.36 -1.24 -0.35 0.00 0.00 0.00 179.25 178.30 3mx0 n PRO 221 N -4.57 0.53 0.00 0.00 -0.04 -1.26 -4.91 135.00 124.74 3mx0 n PRO 221 Ca 0.10 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 3mx0 n PRO 221 Cb 0.08 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 3mx0 n PRO 221 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3mx0 n SER 222 N -4.46 0.00 -4.39 3.54 7.64 -1.25 -4.73 113.62 109.97 3mx0 n SER 222 Ca -0.25 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.33 3mx0 n SER 222 Cb 0.56 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.62 3mx0 n SER 222 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3mx0 s LEU 223 N 0.00 2.35 0.02 -3.43 1.43 -1.26 -4.22 118.68 113.57 3mx0 s LEU 223 Ca 0.00 -0.54 -0.22 0.00 -1.03 0.00 0.00 54.13 52.34 3mx0 s LEU 223 Cb 0.00 -1.37 -0.06 0.00 0.03 0.00 0.00 46.19 44.79 3mx0 s LEU 223 CO 0.00 0.25 0.66 0.00 0.23 0.00 0.00 176.35 177.50 3mx0 s ALA 224 N -0.87 3.44 -0.80 4.21 0.00 -0.42 -4.81 121.76 122.51 3mx0 s ALA 224 Ca 0.13 0.13 -0.15 0.00 0.00 0.00 0.00 51.96 52.07 3mx0 s ALA 224 Cb -0.10 -2.84 0.19 0.00 0.00 0.00 0.00 23.12 20.37 3mx0 s ALA 224 CO 0.04 0.14 0.79 0.99 0.00 0.00 0.00 175.76 177.72 3mx0 s THR 225 N -0.20 5.39 -0.43 0.00 2.01 -1.26 -1.44 115.64 119.70 3mx0 s THR 225 Ca 0.34 -2.15 -0.23 0.00 0.31 0.00 0.00 61.69 59.97 3mx0 s THR 225 Cb -0.19 -4.51 0.02 0.00 0.01 0.00 0.00 72.50 67.83 3mx0 s THR 225 CO 0.20 -1.09 0.75 -0.69 -0.69 0.00 0.00 174.62 173.10 3mx0 s VAL 226 N 0.86 4.70 -0.32 3.82 1.01 -0.19 -4.95 120.40 125.32 3mx0 s VAL 226 Ca 0.18 0.43 -0.29 0.00 0.00 0.00 0.00 61.98 62.30 3mx0 s VAL 226 Cb -0.12 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.98 3mx0 s VAL 226 CO -0.07 -0.65 1.34 0.00 0.00 0.00 0.00 175.10 175.72 3mx0 s ALA 227 N 3.17 3.30 0.24 5.51 0.00 -1.26 -0.21 121.76 132.50 3mx0 s ALA 227 Ca 0.29 0.07 -0.21 0.00 0.00 0.00 0.00 51.96 52.10 3mx0 s ALA 227 Cb -0.13 -3.81 -0.09 0.00 0.00 0.00 0.00 23.12 19.10 3mx0 s ALA 227 CO 0.21 -1.90 0.78 0.20 0.00 0.00 0.00 175.76 175.04 3mx0 s GLY 228 N 3.09 2.67 0.55 0.00 0.00 -0.86 -4.82 107.32 107.96 3mx0 s GLY 228 Ca 0.58 0.26 -0.03 0.00 0.00 0.00 0.00 44.72 45.53 3mx0 s GLY 228 CO 0.25 0.64 0.82 -1.59 0.00 0.00 0.00 173.10 173.22 3mx0 s THR 229 N -1.53 3.46 -0.19 0.90 2.01 -0.69 -4.62 115.64 114.98 3mx0 s THR 229 Ca 0.44 -0.30 -0.13 0.00 0.31 0.00 0.00 61.69 62.01 3mx0 s THR 229 Cb -0.17 -3.34 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 3mx0 s THR 229 CO 0.22 -0.30 0.27 0.00 -0.69 0.00 0.00 174.62 174.12 3mx0 n VAL 231 N 3.82 0.00 -1.98 0.00 0.24 -1.21 -4.86 118.33 114.35 3mx0 n VAL 231 Ca -0.12 -0.15 -0.42 0.00 -2.04 0.00 0.00 64.34 61.61 3mx0 n VAL 231 Cb 0.52 -0.98 -0.03 0.00 -1.47 0.00 0.00 33.84 31.87 3mx0 n VAL 231 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3mx0 s ASP 232 N -2.87 6.65 -0.25 -1.34 -0.00 -1.26 -3.76 116.67 113.84 3mx0 s ASP 232 Ca 0.67 2.36 -0.03 0.00 -0.00 0.00 0.00 52.55 55.56 3mx0 s ASP 232 Cb -0.16 -2.55 0.01 0.00 -0.00 0.00 0.00 42.92 40.22 3mx0 s ASP 232 CO 0.59 -0.89 0.06 1.41 -0.00 0.00 0.00 175.17 176.34 3mx0 n HIS 233 N 6.24 -3.74 0.00 4.23 8.25 -1.26 -3.93 115.22 125.01 3mx0 n HIS 233 Ca 0.16 1.80 0.00 0.00 -0.26 0.00 0.00 57.72 59.42 3mx0 n HIS 233 Cb 0.42 -3.71 0.00 0.00 1.12 0.00 0.00 29.99 27.81 3mx0 n HIS 233 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3mx0 n ALA 234 N 1.02 0.00 -3.49 -1.41 0.00 -1.25 -4.26 120.51 111.12 3mx0 n ALA 234 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.25 3mx0 n ALA 234 Cb 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.61 3mx0 n ALA 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3mx0 s VAL 235 N -0.56 0.01 -0.14 0.00 0.11 0.18 -4.73 120.40 115.27 3mx0 s VAL 235 Ca 0.00 -0.64 -0.27 0.00 -2.93 0.00 0.00 61.98 58.14 3mx0 s VAL 235 Cb 0.00 -1.55 -0.01 0.00 -1.53 0.00 0.00 36.38 33.29 3mx0 s VAL 235 CO 0.00 -0.05 0.91 0.68 -3.33 0.00 0.00 175.10 173.31 3mx0 s VAL 236 N -3.85 4.83 -0.02 2.04 -7.23 -1.26 -1.97 120.40 112.93 3mx0 s VAL 236 Ca 0.08 1.82 -0.25 0.00 -1.81 0.00 0.00 61.98 61.82 3mx0 s VAL 236 Cb -0.02 -4.22 -0.18 0.00 0.56 0.00 0.00 36.38 32.52 3mx0 s VAL 236 CO -0.03 0.01 1.17 -0.65 -0.31 0.00 0.00 175.10 175.29 3mx0 h PRO 237 N 7.22 -0.14 0.05 4.82 0.11 -1.97 -3.46 132.00 138.63 3mx0 h PRO 237 Ca -0.30 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 3mx0 h PRO 237 Cb 1.13 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3mx0 h PRO 237 CO 0.85 0.30 -0.02 -1.35 -0.21 0.00 0.00 178.00 177.56 3mx0 h PRO 238 N -0.64 -0.06 -4.33 1.05 0.11 -2.00 -3.54 132.00 122.58 3mx0 h PRO 238 Ca -0.01 0.00 -0.72 0.00 0.11 0.00 0.00 66.00 65.38 3mx0 h PRO 238 Cb 0.50 0.01 -0.29 0.00 0.11 0.00 0.00 31.00 31.33 3mx0 h PRO 238 CO 0.02 -0.04 -0.41 -2.00 -0.21 0.00 0.00 178.00 175.36 3mx0 s GLU 241 N -2.78 2.49 0.03 1.05 2.56 -1.26 -5.28 118.70 115.50 3mx0 s GLU 241 Ca -0.01 -1.71 -0.31 0.00 0.00 0.00 0.00 54.97 52.94 3mx0 s GLU 241 Cb 0.00 -3.89 -0.16 0.00 2.00 0.00 0.00 34.13 32.08 3mx0 s GLU 241 CO 0.03 -1.14 0.79 0.39 -0.56 0.00 0.00 175.26 174.77 3mx0 n GLU 242 N 4.90 0.00 -2.68 4.30 -0.58 -1.26 -3.48 120.64 121.85 3mx0 n GLU 242 Ca -0.08 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.23 3mx0 n GLU 242 Cb 0.41 -1.15 -0.03 0.00 -0.57 0.00 0.00 31.44 30.10 3mx0 n GLU 242 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3mx0 s PRO 243 N -0.14 3.83 0.01 3.49 0.04 -1.26 -4.34 135.00 136.63 3mx0 s PRO 243 Ca 0.70 0.67 0.02 0.00 0.04 0.00 0.00 61.00 62.43 3mx0 s PRO 243 Cb -0.99 -3.84 -0.01 0.00 0.04 0.00 0.00 34.50 29.71 3mx0 s PRO 243 CO 0.46 -1.14 -0.05 1.03 0.04 0.00 0.00 177.00 177.34 3mx0 s ARG 244 N 3.96 0.41 0.45 4.56 0.52 -1.02 -2.03 118.95 125.79 3mx0 s ARG 244 Ca 0.44 -0.34 0.04 0.00 -0.52 0.00 0.00 55.73 55.35 3mx0 s ARG 244 Cb -0.10 -0.32 -0.04 0.00 0.52 0.00 0.00 34.95 35.01 3mx0 s ARG 244 CO 0.24 0.08 0.03 -1.64 0.02 0.00 0.00 175.30 174.02 3mx0 s MET 245 N -0.55 2.03 -0.08 3.54 -1.94 0.70 -2.06 119.30 120.94 3mx0 s MET 245 Ca -0.02 -2.23 0.01 0.00 -1.71 0.00 0.00 55.69 51.74 3mx0 s MET 245 Cb -0.04 -1.38 0.02 0.00 2.01 0.00 0.00 34.83 35.44 3mx0 s MET 245 CO -0.00 -0.26 -0.10 -1.01 -0.01 0.00 0.00 175.02 173.64 3mx0 s HIS 246 N -2.91 1.42 -0.45 -0.03 3.76 -1.26 -1.03 115.29 114.80 3mx0 s HIS 246 Ca 0.20 -0.60 0.04 0.00 -0.15 0.00 0.00 55.06 54.55 3mx0 s HIS 246 Cb 0.05 -1.11 0.12 0.00 1.11 0.00 0.00 32.58 32.75 3mx0 s HIS 246 CO 0.10 -0.37 0.18 0.00 -0.85 0.00 0.00 174.74 173.81 3mx0 n ALA 248 N 3.56 -0.13 0.22 0.00 0.00 -1.12 -1.30 120.51 121.74 3mx0 n ALA 248 Ca 0.05 -0.57 0.10 0.00 0.00 0.00 0.00 53.44 53.02 3mx0 n ALA 248 Cb 0.36 0.05 0.43 0.00 0.00 0.00 0.00 19.45 20.29 3mx0 n ALA 248 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3mx0 h VAL 249 N -0.73 0.49 -0.53 0.00 2.07 -1.83 -2.58 116.25 113.14 3mx0 h VAL 249 Ca -0.11 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.27 3mx0 h VAL 249 Cb 0.37 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 3mx0 h VAL 249 CO 0.10 0.21 0.00 -0.90 0.02 0.00 0.00 177.57 177.00 3mx0 n ASP 250 N -3.33 3.85 -1.55 0.57 3.85 -1.26 -4.66 116.55 114.02 3mx0 n ASP 250 Ca 0.01 -2.32 -0.13 0.00 -0.71 0.00 0.00 54.79 51.64 3mx0 n ASP 250 Cb 0.45 -0.50 0.00 0.00 -1.35 0.00 0.00 41.12 39.72 3mx0 n ASP 250 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3mx0 n GLY 251 N 1.02 -0.10 3.63 6.12 0.00 -0.97 -4.96 105.19 109.94 3mx0 n GLY 251 Ca 0.21 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 3mx0 n GLY 251 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mx0 s GLU 252 N -4.81 2.26 -0.04 1.61 2.02 -1.26 -4.23 118.70 114.24 3mx0 s GLU 252 Ca 0.06 -1.37 -0.07 0.00 0.02 0.00 0.00 54.97 53.61 3mx0 s GLU 252 Cb -0.03 -2.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.99 3mx0 s GLU 252 CO 0.07 0.38 0.23 -1.58 0.02 0.00 0.00 175.26 174.38 3mx0 s TRP 253 N -2.18 3.60 0.00 1.61 0.52 -1.26 -2.79 118.94 118.44 3mx0 s TRP 253 Ca 0.30 0.57 0.00 0.00 0.02 0.00 0.00 56.10 57.00 3mx0 s TRP 253 Cb -0.07 -1.98 0.00 0.00 -1.15 0.00 0.00 33.47 30.27 3mx0 s TRP 253 CO 0.19 0.67 0.00 1.28 0.02 0.00 0.00 176.95 179.11 3mx0 n LEU 254 N 1.48 0.00 -4.17 2.99 4.77 -0.08 -4.97 117.00 117.01 3mx0 n LEU 254 Ca -0.15 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.44 3mx0 n LEU 254 Cb 0.53 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 3mx0 n LEU 254 CO 0.37 -0.32 -0.05 0.68 -1.33 0.00 0.00 177.39 176.75 3mx0 s VAL 255 N -0.64 3.90 0.08 4.08 -7.23 -1.26 -4.98 120.40 114.35 3mx0 s VAL 255 Ca 0.00 -2.04 -0.31 0.00 -1.81 0.00 0.00 61.98 57.83 3mx0 s VAL 255 Cb 0.00 -3.59 -0.07 0.00 0.56 0.00 0.00 36.38 33.28 3mx0 s VAL 255 CO 0.00 -0.77 1.31 -2.84 -0.31 0.00 0.00 175.10 172.49 3mx0 s PRO 256 N 1.08 4.36 -0.47 4.82 0.02 -1.26 -4.31 135.00 139.24 3mx0 s PRO 256 Ca 0.08 1.93 0.00 0.00 0.02 0.00 0.00 61.00 63.04 3mx0 s PRO 256 Cb -0.24 -3.32 0.12 0.00 0.02 0.00 0.00 34.50 31.09 3mx0 s PRO 256 CO -0.02 -0.37 0.24 0.42 -0.33 0.00 0.00 177.00 176.93 3mx0 s ILE 257 N 1.19 3.00 0.00 2.83 1.01 -0.87 -5.05 121.20 123.32 3mx0 s ILE 257 Ca 0.62 -2.62 0.00 0.00 0.00 0.00 0.00 60.65 58.65 3mx0 s ILE 257 Cb -0.33 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.07 3mx0 s ILE 257 CO 0.29 -0.74 0.00 0.61 0.00 0.00 0.00 174.94 175.10 3mx0 n GLY 258 N 3.92 -0.32 3.37 6.18 0.00 -1.26 -2.44 105.19 114.64 3mx0 n GLY 258 Ca 0.03 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 3mx0 n GLY 258 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mx0 s GLN 259 N -2.13 1.16 -0.02 1.61 -2.07 -1.23 -4.51 119.66 112.47 3mx0 s GLN 259 Ca 0.00 -0.89 -0.15 0.00 -1.82 0.00 0.00 55.36 52.49 3mx0 s GLN 259 Cb 0.00 0.45 -0.05 0.00 -1.09 0.00 0.00 33.01 32.31 3mx0 s GLN 259 CO 0.00 -0.45 0.42 0.00 -1.32 0.00 0.00 175.29 173.94 3mx0 s LEU 261 N -0.78 3.26 0.04 0.00 1.43 -0.83 -4.54 118.68 117.26 3mx0 s LEU 261 Ca 0.24 0.00 -0.30 0.00 -1.03 0.00 0.00 54.13 53.04 3mx0 s LEU 261 Cb -0.16 -1.74 -0.08 0.00 0.03 0.00 0.00 46.19 44.24 3mx0 s LEU 261 CO 0.13 0.36 1.70 0.00 0.23 0.00 0.00 176.35 178.77 3mx0 s GLN 263 N 3.23 0.99 -0.16 0.00 -2.07 -1.26 -3.44 119.66 116.95 3mx0 s GLN 263 Ca 0.76 0.03 -0.42 0.00 -1.82 0.00 0.00 55.36 53.91 3mx0 s GLN 263 Cb -0.39 -1.85 -0.20 0.00 -1.09 0.00 0.00 33.01 29.49 3mx0 s GLN 263 CO 0.33 -2.25 1.28 0.00 -1.32 0.00 0.00 175.29 173.33 3mx0 n ALA 264 N -3.75 -2.63 -0.94 2.60 0.00 -0.89 -1.70 120.51 113.20 3mx0 n ALA 264 Ca 0.10 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.09 3mx0 n ALA 264 Cb 0.60 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.20 3mx0 n ALA 264 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mx0 n GLY 265 N 2.44 0.88 3.09 0.00 0.00 0.13 -4.85 105.19 106.88 3mx0 n GLY 265 Ca 0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 3mx0 n GLY 265 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mx0 s TYR 266 N -3.51 1.61 0.42 1.61 2.02 -0.69 -1.23 117.35 117.59 3mx0 s TYR 266 Ca 0.00 -0.53 0.08 0.00 -0.37 0.00 0.00 57.07 56.25 3mx0 s TYR 266 Cb 0.00 -1.12 -0.00 0.00 -0.40 0.00 0.00 41.96 40.43 3mx0 s TYR 266 CO 0.00 -0.22 0.47 -1.83 -1.57 0.00 0.00 175.55 172.40 3mx0 s GLU 267 N 0.32 2.67 -0.99 -0.62 -1.05 -0.58 -4.20 118.70 114.25 3mx0 s GLU 267 Ca -0.09 -1.40 -0.17 0.00 -0.15 0.00 0.00 54.97 53.16 3mx0 s GLU 267 Cb -0.13 -2.56 0.15 0.00 -0.44 0.00 0.00 34.13 31.15 3mx0 s GLU 267 CO 0.03 -0.24 1.17 0.21 0.95 0.00 0.00 175.26 177.38 3mx0 s LYS 268 N -4.24 3.73 -0.31 -4.83 2.20 -1.26 -1.81 119.74 113.21 3mx0 s LYS 268 Ca 0.51 -2.04 -0.21 0.00 -0.36 0.00 0.00 55.97 53.87 3mx0 s LYS 268 Cb -0.06 -4.90 -0.01 0.00 -1.51 0.00 0.00 37.83 31.35 3mx0 s LYS 268 CO 0.30 -1.72 0.66 0.08 -0.36 0.00 0.00 175.35 174.32 3mx0 s VAL 269 N 2.13 4.90 0.00 4.02 1.01 -1.10 -4.88 120.40 126.48 3mx0 s VAL 269 Ca 0.34 0.91 0.00 0.00 0.00 0.00 0.00 61.98 63.23 3mx0 s VAL 269 Cb -0.05 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.30 3mx0 s VAL 269 CO -0.07 -0.17 0.00 -0.62 0.00 0.00 0.00 175.10 174.24 3mx0 n GLU 270 N 5.96 0.00 -0.28 2.72 1.02 -1.26 -2.67 120.64 126.12 3mx0 n GLU 270 Ca -0.00 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 3mx0 n GLU 270 Cb 0.49 0.00 0.25 0.00 -0.02 0.00 0.00 31.44 32.16 3mx0 n GLU 270 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3mx0 n ASP 271 N 5.39 3.54 -3.64 1.62 8.00 -1.26 -4.97 116.55 125.23 3mx0 n ASP 271 Ca 0.00 -1.99 -0.12 0.00 0.71 0.00 0.00 54.79 53.40 3mx0 n ASP 271 Cb 0.00 -0.37 -0.05 0.00 -0.02 0.00 0.00 41.12 40.67 3mx0 n ASP 271 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mx0 s ALA 272 N -1.04 -0.99 0.03 2.24 0.00 -1.09 -4.58 121.76 116.33 3mx0 s ALA 272 Ca 0.39 0.14 -0.30 0.00 0.00 0.00 0.00 51.96 52.19 3mx0 s ALA 272 Cb 0.21 0.52 -0.07 0.00 0.00 0.00 0.00 23.12 23.78 3mx0 s ALA 272 CO 0.27 -0.55 1.54 0.00 0.00 0.00 0.00 175.76 177.02 3mx0 s GLN 274 N 2.58 2.42 0.92 0.00 -0.21 -0.75 -4.89 119.66 119.73 3mx0 s GLN 274 Ca 0.69 -0.76 -0.14 0.00 0.02 0.00 0.00 55.36 55.18 3mx0 s GLN 274 Cb -0.36 -2.36 -0.00 0.00 1.00 0.00 0.00 33.01 31.30 3mx0 s GLN 274 CO 0.29 0.60 0.26 0.00 -2.12 0.00 0.00 175.29 174.33 3mx0 n ALA 275 N 2.03 -2.84 -2.50 6.09 0.00 -1.26 -1.53 120.51 120.50 3mx0 n ALA 275 Ca -0.17 -0.56 -0.43 0.00 0.00 0.00 0.00 53.44 52.28 3mx0 n ALA 275 Cb 0.52 -1.72 -0.02 0.00 0.00 0.00 0.00 19.45 18.24 3mx0 n ALA 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mx0 n SER 277 N 8.21 0.42 -4.43 0.00 7.64 -1.26 0.29 113.62 124.49 3mx0 n SER 277 Ca 0.14 0.94 -0.44 0.00 1.01 0.00 0.00 58.87 60.51 3mx0 n SER 277 Cb 0.49 -0.72 -0.01 0.00 -1.01 0.00 0.00 64.21 62.95 3mx0 n SER 277 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3mx0 n PRO 278 N 2.08 0.38 -0.48 1.43 -0.02 -1.26 -1.63 135.00 135.50 3mx0 n PRO 278 Ca 0.20 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 3mx0 n PRO 278 Cb 0.02 -1.28 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 3mx0 n PRO 278 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mx0 n GLY 279 N 1.88 0.75 3.30 -1.23 0.00 -1.16 -5.01 105.19 103.72 3mx0 n GLY 279 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 3mx0 n GLY 279 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mx0 s PHE 280 N -2.62 1.74 0.28 1.61 0.40 -0.65 -2.24 117.98 116.51 3mx0 s PHE 280 Ca 0.00 -1.63 -0.16 0.00 -0.60 0.00 0.00 56.93 54.54 3mx0 s PHE 280 Cb 0.00 -0.75 0.01 0.00 0.51 0.00 0.00 43.02 42.80 3mx0 s PHE 280 CO 0.00 -0.82 0.62 -0.59 0.70 0.00 0.00 175.22 175.13 3mx0 s PHE 281 N -3.45 0.14 -0.29 0.36 -0.00 -0.02 -4.38 117.98 110.35 3mx0 s PHE 281 Ca 0.39 -0.58 0.02 0.00 -0.00 0.00 0.00 56.93 56.76 3mx0 s PHE 281 Cb 0.02 0.48 0.19 0.00 -0.00 0.00 0.00 43.02 43.71 3mx0 s PHE 281 CO 0.26 -1.18 0.58 0.21 -0.00 0.00 0.00 175.22 175.10 3mx0 s LYS 282 N -3.70 0.56 0.05 1.99 2.20 -0.99 -1.41 119.74 118.44 3mx0 s LYS 282 Ca 0.17 0.79 0.27 0.00 -0.36 0.00 0.00 55.97 56.85 3mx0 s LYS 282 Cb -0.03 0.38 0.90 0.00 -1.51 0.00 0.00 37.83 37.57 3mx0 s LYS 282 CO 0.09 -0.80 1.72 0.34 -0.36 0.00 0.00 175.35 176.35 3mx0 n PHE 283 N 5.42 0.23 -4.26 4.03 7.35 -0.99 0.18 117.46 129.43 3mx0 n PHE 283 Ca 0.01 0.07 -0.27 0.00 -0.76 0.00 0.00 57.45 56.50 3mx0 n PHE 283 Cb 0.52 -0.54 -0.03 0.00 0.35 0.00 0.00 39.48 39.78 3mx0 n PHE 283 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 3mx0 n GLU 284 N -1.71 0.79 -3.64 -4.13 4.71 -1.26 -4.75 120.64 110.66 3mx0 n GLU 284 Ca 0.06 -3.31 -0.36 0.00 -0.01 0.00 0.00 57.16 53.54 3mx0 n GLU 284 Cb 0.37 0.61 -0.06 0.00 -1.01 0.00 0.00 31.44 31.34 3mx0 n GLU 284 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3mx0 n ALA 285 N -1.73 3.81 -2.21 0.62 0.00 -1.26 -2.10 120.51 117.63 3mx0 n ALA 285 Ca -0.18 -4.60 -0.12 0.00 0.00 0.00 0.00 53.44 48.54 3mx0 n ALA 285 Cb 0.59 -1.70 -0.10 0.00 0.00 0.00 0.00 19.45 18.24 3mx0 n ALA 285 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3mx0 s SER 286 N -0.19 1.44 0.35 0.00 1.04 -1.22 -4.90 113.70 110.22 3mx0 s SER 286 Ca 0.28 -1.01 0.26 0.00 0.48 0.00 0.00 55.95 55.95 3mx0 s SER 286 Cb -0.07 0.05 1.25 0.00 0.10 0.00 0.00 66.02 67.35 3mx0 s SER 286 CO -0.13 -0.40 1.78 1.05 0.98 0.00 0.00 173.24 176.51 3mx0 h GLU 287 N 2.88 0.00 -6.42 4.02 4.11 -1.97 -3.41 114.58 113.79 3mx0 h GLU 287 Ca -0.36 0.00 -0.57 0.00 0.07 0.00 0.00 59.36 58.50 3mx0 h GLU 287 Cb 1.18 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.46 3mx0 h GLU 287 CO 0.64 0.00 1.05 0.43 0.07 0.00 0.00 179.01 181.21 3mx0 n SER 288 N -2.40 3.67 -2.87 3.06 7.64 -1.26 -4.80 113.62 116.65 3mx0 n SER 288 Ca -0.00 0.99 0.00 0.00 1.01 0.00 0.00 58.87 60.87 3mx0 n SER 288 Cb 0.13 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 61.87 3mx0 n SER 288 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3mx0 n PRO 289 N 5.70 2.05 -3.56 1.43 -0.02 -1.26 -4.90 135.00 134.44 3mx0 n PRO 289 Ca 0.19 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.27 3mx0 n PRO 289 Cb 0.33 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.74 3mx0 n PRO 289 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mx0 n LEU 291 N 4.36 3.97 -4.80 0.00 4.32 -0.50 -4.57 117.00 119.78 3mx0 n LEU 291 Ca 0.00 1.19 -0.33 0.00 -0.02 0.00 0.00 56.01 56.85 3mx0 n LEU 291 Cb 0.41 -1.53 0.01 0.00 -1.62 0.00 0.00 43.42 40.69 3mx0 n LEU 291 CO 0.39 -0.18 0.72 -1.83 -1.22 0.00 0.00 177.39 175.27 3mx0 s GLU 292 N -1.40 3.33 -0.01 3.23 -1.05 -1.26 -0.84 118.70 120.70 3mx0 s GLU 292 Ca 0.59 1.26 -0.30 0.00 -0.15 0.00 0.00 54.97 56.37 3mx0 s GLU 292 Cb -0.54 -2.03 -0.07 0.00 -0.44 0.00 0.00 34.13 31.04 3mx0 s GLU 292 CO 0.58 -0.81 1.85 0.00 0.95 0.00 0.00 175.26 177.83 3mx0 n PRO 294 N 7.44 -2.10 -2.68 0.00 -0.04 -1.26 -4.89 135.00 131.47 3mx0 n PRO 294 Ca 0.19 -0.67 -0.39 0.00 -0.04 0.00 0.00 63.50 62.59 3mx0 n PRO 294 Cb 0.42 -1.09 -0.06 0.00 -0.04 0.00 0.00 33.50 32.74 3mx0 n PRO 294 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3mx0 s GLU 295 N -3.43 4.67 -0.71 0.54 2.02 -1.26 -3.92 118.70 116.60 3mx0 s GLU 295 Ca 0.31 1.52 -0.05 0.00 0.02 0.00 0.00 54.97 56.77 3mx0 s GLU 295 Cb -0.05 -3.06 0.01 0.00 0.10 0.00 0.00 34.13 31.12 3mx0 s GLU 295 CO 0.26 0.32 0.62 0.72 0.02 0.00 0.00 175.26 177.21 3mx0 n HIS 296 N 1.03 -1.51 -4.33 1.61 8.25 -1.26 -1.71 115.22 117.29 3mx0 n HIS 296 Ca -0.00 0.53 -0.19 0.00 -0.26 0.00 0.00 57.72 57.80 3mx0 n HIS 296 Cb 0.48 -3.13 -0.13 0.00 1.12 0.00 0.00 29.99 28.32 3mx0 n HIS 296 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3mx0 s THR 297 N -3.17 1.03 -0.14 1.59 -1.32 -1.25 -2.90 115.64 109.48 3mx0 s THR 297 Ca 0.30 -0.95 -0.29 0.00 -1.21 0.00 0.00 61.69 59.54 3mx0 s THR 297 Cb -0.13 -0.94 -0.03 0.00 -1.51 0.00 0.00 72.50 69.88 3mx0 s THR 297 CO 0.38 -0.01 1.49 -0.76 -2.21 0.00 0.00 174.62 173.51 3mx0 s LEU 298 N -1.09 4.16 -0.59 9.08 1.43 0.17 -4.74 118.68 127.10 3mx0 s LEU 298 Ca 0.01 1.86 -0.33 0.00 -1.03 0.00 0.00 54.13 54.65 3mx0 s LEU 298 Cb -0.08 -3.53 -0.14 0.00 0.03 0.00 0.00 46.19 42.47 3mx0 s LEU 298 CO 0.01 -0.94 2.39 -2.65 0.23 0.00 0.00 176.35 175.39 3mx0 n PRO 299 N 7.06 0.66 -0.76 1.29 -0.02 -1.26 -4.05 135.00 137.92 3mx0 n PRO 299 Ca 0.16 0.11 -0.31 0.00 -2.02 0.00 0.00 63.50 61.44 3mx0 n PRO 299 Cb 0.44 -2.34 0.16 0.00 -0.02 0.00 0.00 33.50 31.74 3mx0 n PRO 299 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3mx0 s SER 300 N 8.90 3.09 0.00 2.55 1.04 -1.26 -4.84 113.70 123.18 3mx0 s SER 300 Ca 1.15 2.16 0.00 0.00 0.48 0.00 0.00 55.95 59.74 3mx0 s SER 300 Cb -0.87 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 62.69 3mx0 s SER 300 CO 0.45 -2.99 0.00 -0.81 0.98 0.00 0.00 173.24 170.87 3mx0 n PRO 301 N -4.15 3.03 -3.36 4.02 -0.04 -1.26 -3.00 135.00 130.24 3mx0 n PRO 301 Ca 0.12 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.26 3mx0 n PRO 301 Cb 0.52 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.93 3mx0 n PRO 301 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3mx0 s GLU 302 N 0.00 3.83 -0.06 0.54 1.03 -1.26 -3.66 118.70 119.13 3mx0 s GLU 302 Ca 0.00 0.34 -0.01 0.00 0.03 0.00 0.00 54.97 55.34 3mx0 s GLU 302 Cb 0.00 -2.60 0.00 0.00 -0.80 0.00 0.00 34.13 30.73 3mx0 s GLU 302 CO 0.00 0.28 0.01 0.41 -1.33 0.00 0.00 175.26 174.63 3mx0 n GLY 303 N -0.20 -0.72 2.92 -3.83 0.00 0.15 -4.81 105.19 98.69 3mx0 n GLY 303 Ca 0.01 0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 3mx0 n GLY 303 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mx0 s ALA 304 N -1.12 0.72 0.10 4.61 0.00 -1.26 -4.80 121.76 120.01 3mx0 s ALA 304 Ca 0.01 -0.12 -0.31 0.00 0.00 0.00 0.00 51.96 51.53 3mx0 s ALA 304 Cb -0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 23.12 22.60 3mx0 s ALA 304 CO 0.14 0.03 1.50 1.15 0.00 0.00 0.00 175.76 178.59 3mx0 h THR 305 N 5.98 0.00 -3.29 0.00 2.02 -1.89 -2.62 112.91 113.10 3mx0 h THR 305 Ca -0.37 0.00 -0.51 0.00 0.77 0.00 0.00 66.41 66.30 3mx0 h THR 305 Cb 1.16 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.44 3mx0 h THR 305 CO 0.48 0.00 -0.52 -0.94 0.37 0.00 0.00 175.52 174.91 3mx0 s SER 306 N -4.58 2.35 -0.01 4.18 1.04 -1.26 -2.36 113.70 113.06 3mx0 s SER 306 Ca -0.14 -1.66 -0.01 0.00 0.48 0.00 0.00 55.95 54.62 3mx0 s SER 306 Cb 0.06 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 3mx0 s SER 306 CO 0.56 -0.94 0.08 0.00 0.98 0.00 0.00 173.24 173.91 3mx0 s GLU 308 N -1.69 4.39 0.06 0.00 2.02 -1.26 -4.90 118.70 117.32 3mx0 s GLU 308 Ca 0.22 1.92 -0.27 0.00 0.02 0.00 0.00 54.97 56.87 3mx0 s GLU 308 Cb -0.12 -3.29 -0.05 0.00 0.10 0.00 0.00 34.13 30.77 3mx0 s GLU 308 CO 0.13 -0.32 0.83 0.00 0.02 0.00 0.00 175.26 175.93 3mx0 n GLU 310 N 2.89 -0.00 -1.64 0.00 2.13 -1.14 -4.68 120.64 118.20 3mx0 n GLU 310 Ca -0.01 0.07 -0.46 0.00 0.66 0.00 0.00 57.16 57.43 3mx0 n GLU 310 Cb 0.50 -2.27 -0.03 0.00 0.27 0.00 0.00 31.44 29.91 3mx0 n GLU 310 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3mx0 n GLU 311 N -2.93 1.72 -2.93 5.31 1.02 -1.26 -3.70 120.64 117.87 3mx0 n GLU 311 Ca 0.12 0.61 -0.07 0.00 -0.02 0.00 0.00 57.16 57.80 3mx0 n GLU 311 Cb 0.51 -2.18 0.01 0.00 -0.02 0.00 0.00 31.44 29.76 3mx0 n GLU 311 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mx0 n GLY 312 N 1.91 -2.21 0.00 0.62 0.00 -1.26 -5.03 105.19 99.21 3mx0 n GLY 312 Ca 0.12 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.84 3mx0 n GLY 312 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mx0 n PHE 313 N 0.42 0.00 -2.06 1.61 3.72 -1.24 -4.91 117.46 115.00 3mx0 n PHE 313 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3mx0 n PHE 313 Cb 0.30 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 3mx0 n PHE 313 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3mx0 n PHE 314 N -0.92 0.00 -3.64 1.38 3.72 -1.18 -4.81 117.46 112.01 3mx0 n PHE 314 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 3mx0 n PHE 314 Cb 0.00 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.47 3mx0 n PHE 314 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3mx0 s ARG 315 N 1.47 0.66 0.34 -1.08 0.52 -1.26 -3.13 118.95 116.47 3mx0 s ARG 315 Ca 0.00 0.92 -0.28 0.00 -0.52 0.00 0.00 55.73 55.86 3mx0 s ARG 315 Cb 0.00 0.24 -0.09 0.00 0.52 0.00 0.00 34.95 35.62 3mx0 s ARG 315 CO 0.00 -0.10 1.18 0.00 0.02 0.00 0.00 175.30 176.40 3mx0 s ALA 316 N 0.86 3.33 0.05 2.13 0.00 -1.26 -4.88 121.76 121.99 3mx0 s ALA 316 Ca -0.04 1.02 -0.05 0.00 0.00 0.00 0.00 51.96 52.90 3mx0 s ALA 316 Cb -0.05 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.72 3mx0 s ALA 316 CO -0.09 -0.43 0.35 -2.30 0.00 0.00 0.00 175.76 173.29 3mx0 n PRO 317 N 0.64 -0.06 -2.78 0.00 -0.02 -1.26 0.62 135.00 132.14 3mx0 n PRO 317 Ca 0.01 0.34 -0.43 0.00 -2.02 0.00 0.00 63.50 61.41 3mx0 n PRO 317 Cb 0.45 -0.51 0.01 0.00 -0.02 0.00 0.00 33.50 33.43 3mx0 n PRO 317 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mx0 n GLN 318 N -4.32 4.42 -4.66 -0.52 0.00 -1.26 -4.95 117.38 106.09 3mx0 n GLN 318 Ca 0.02 -4.31 -0.25 0.00 0.00 0.00 0.00 57.00 52.45 3mx0 n GLN 318 Cb 0.08 -2.60 -0.17 0.00 0.00 0.00 0.00 30.24 27.56 3mx0 n GLN 318 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3mx0 s ASP 319 N -1.13 1.91 0.95 2.61 1.11 0.20 -5.13 116.67 117.19 3mx0 s ASP 319 Ca 0.34 -0.32 -0.11 0.00 0.18 0.00 0.00 52.55 52.64 3mx0 s ASP 319 Cb 0.08 -0.86 0.16 0.00 1.07 0.00 0.00 42.92 43.37 3mx0 s ASP 319 CO 0.06 0.05 1.11 -2.84 1.18 0.00 0.00 175.17 174.72 3mx0 s PRO 320 N 0.59 0.80 0.02 8.23 0.02 -1.26 -4.88 135.00 138.53 3mx0 s PRO 320 Ca -0.14 1.25 -0.27 0.00 0.02 0.00 0.00 61.00 61.86 3mx0 s PRO 320 Cb -0.16 -1.72 -0.16 0.00 0.02 0.00 0.00 34.50 32.48 3mx0 s PRO 320 CO 0.04 -2.68 1.23 0.00 -0.33 0.00 0.00 177.00 175.26 3mx0 h ALA 321 N -1.89 -0.74 -0.81 -1.55 0.00 -1.97 -3.22 119.26 109.08 3mx0 h ALA 321 Ca -0.48 -0.20 0.20 0.00 0.00 0.00 0.00 54.91 54.43 3mx0 h ALA 321 Cb 1.28 0.29 -0.14 0.00 0.00 0.00 0.00 17.79 19.22 3mx0 h ALA 321 CO 0.46 -0.78 0.07 0.66 0.00 0.00 0.00 179.25 179.67 3mx0 h SER 322 N -1.01 -0.26 -3.04 0.00 4.64 -1.96 -3.40 113.55 108.53 3mx0 h SER 322 Ca -0.08 0.20 -0.58 0.00 -0.47 0.00 0.00 61.79 60.87 3mx0 h SER 322 Cb 0.64 0.33 0.10 0.00 -0.31 0.00 0.00 62.40 63.16 3mx0 h SER 322 CO 0.12 -0.18 0.47 0.80 -0.87 0.00 0.00 176.83 177.17 3mx0 n MET 323 N -5.32 1.99 0.00 4.77 0.00 -1.22 -4.70 117.12 112.64 3mx0 n MET 323 Ca 0.17 0.70 0.00 0.00 0.00 0.00 0.00 57.70 58.56 3mx0 n MET 323 Cb 0.55 -2.27 0.00 0.00 0.00 0.00 0.00 33.22 31.51 3mx0 n MET 323 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 3mx0 n PRO 324 N 0.92 0.23 -3.28 2.12 -0.02 -1.26 -4.80 135.00 128.90 3mx0 n PRO 324 Ca 0.07 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.29 3mx0 n PRO 324 Cb 0.34 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.81 3mx0 n PRO 324 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mx0 s THR 326 N -2.29 -0.10 0.39 0.00 -4.23 -1.18 -4.83 115.64 103.39 3mx0 s THR 326 Ca 0.42 0.22 0.08 0.00 -1.18 0.00 0.00 61.69 61.22 3mx0 s THR 326 Cb -0.10 -0.28 -0.04 0.00 1.34 0.00 0.00 72.50 73.43 3mx0 s THR 326 CO 0.35 0.09 0.26 0.00 -0.54 0.00 0.00 174.62 174.78 3mx0 s ARG 327 N 1.45 2.43 0.20 3.99 1.70 -1.22 -3.12 118.95 124.38 3mx0 s ARG 327 Ca -0.06 -1.60 -0.30 0.00 -0.47 0.00 0.00 55.73 53.29 3mx0 s ARG 327 Cb -0.12 -2.23 -0.08 0.00 -0.57 0.00 0.00 34.95 31.96 3mx0 s ARG 327 CO -0.06 -0.07 1.12 -2.14 -1.08 0.00 0.00 175.30 173.07 3mx0 s PRO 328 N -3.99 4.58 0.40 3.89 0.02 -1.26 -4.45 135.00 134.19 3mx0 s PRO 328 Ca 0.43 1.77 -0.25 0.00 0.02 0.00 0.00 61.00 62.97 3mx0 s PRO 328 Cb -0.01 -3.25 -0.08 0.00 0.02 0.00 0.00 34.50 31.17 3mx0 s PRO 328 CO 0.25 0.06 1.17 -1.25 -0.33 0.00 0.00 177.00 176.90 3mx0 s PRO 329 N -0.53 4.07 0.68 5.54 0.04 -1.26 -4.79 135.00 138.75 3mx0 s PRO 329 Ca 0.49 1.83 -0.17 0.00 0.04 0.00 0.00 61.00 63.20 3mx0 s PRO 329 Cb -0.31 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.55 3mx0 s PRO 329 CO 0.36 -0.30 1.16 -1.13 0.04 0.00 0.00 177.00 177.13 3mx0 n SER 330 N 0.10 1.36 -4.51 6.66 3.41 -0.90 -4.61 113.62 115.13 3mx0 n SER 330 Ca 0.04 0.75 -0.35 0.00 -0.26 0.00 0.00 58.87 59.05 3mx0 n SER 330 Cb 0.46 -1.49 0.08 0.00 -0.26 0.00 0.00 64.21 63.01 3mx0 n SER 330 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mx0 n ALA 331 N -2.23 -1.25 -1.52 7.33 0.00 -1.25 -4.37 120.51 117.23 3mx0 n ALA 331 Ca 0.15 -0.28 -0.37 0.00 0.00 0.00 0.00 53.44 52.93 3mx0 n ALA 331 Cb 0.49 -1.94 -0.12 0.00 0.00 0.00 0.00 19.45 17.88 3mx0 n ALA 331 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3mx0 n PRO 332 N -1.32 0.34 -0.19 0.00 -0.02 -1.26 -4.28 135.00 128.27 3mx0 n PRO 332 Ca 0.11 -0.03 -0.05 0.00 -2.02 0.00 0.00 63.50 61.50 3mx0 n PRO 332 Cb 0.50 -2.15 -0.05 0.00 -0.02 0.00 0.00 33.50 31.79 3mx0 n PRO 332 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3mx0 n HIS 333 N 12.17 -0.20 -4.34 6.00 -0.00 -0.97 -4.08 115.22 123.81 3mx0 n HIS 333 Ca 0.56 0.58 -0.34 0.00 0.46 0.00 0.00 57.72 58.98 3mx0 n HIS 333 Cb 0.21 -0.49 -0.12 0.00 -0.12 0.00 0.00 29.99 29.48 3mx0 n HIS 333 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 3mx0 s TYR 334 N -4.63 3.04 -0.09 1.57 4.12 -1.25 -4.97 117.35 115.14 3mx0 s TYR 334 Ca -0.06 -0.29 0.04 0.00 0.02 0.00 0.00 57.07 56.79 3mx0 s TYR 334 Cb 0.05 -1.98 -0.00 0.00 -1.52 0.00 0.00 41.96 38.51 3mx0 s TYR 334 CO 0.29 -0.04 -0.24 -1.17 0.02 0.00 0.00 175.55 174.40 3mx0 s LEU 335 N 0.43 2.10 -0.07 -1.29 2.96 -1.26 -1.74 118.68 119.81 3mx0 s LEU 335 Ca -0.03 -0.55 -0.04 0.00 -0.22 0.00 0.00 54.13 53.29 3mx0 s LEU 335 Cb -0.14 -1.41 0.03 0.00 0.50 0.00 0.00 46.19 45.18 3mx0 s LEU 335 CO 0.03 0.18 0.17 0.42 -1.32 0.00 0.00 176.35 175.82 3mx0 s THR 336 N 0.23 -0.03 -0.12 3.68 -4.23 -1.23 -4.99 115.64 108.94 3mx0 s THR 336 Ca -0.15 0.11 0.01 0.00 -1.18 0.00 0.00 61.69 60.47 3mx0 s THR 336 Cb -0.17 -0.26 0.02 0.00 1.34 0.00 0.00 72.50 73.43 3mx0 s THR 336 CO 0.08 0.05 -0.13 0.00 -0.54 0.00 0.00 174.62 174.08 3mx0 s ALA 337 N 0.80 1.64 0.45 3.99 0.00 -1.26 -1.00 121.76 126.39 3mx0 s ALA 337 Ca -0.06 -0.74 0.07 0.00 0.00 0.00 0.00 51.96 51.24 3mx0 s ALA 337 Cb -0.08 -0.92 0.02 0.00 0.00 0.00 0.00 23.12 22.14 3mx0 s ALA 337 CO -0.04 -0.27 0.61 0.08 0.00 0.00 0.00 175.76 176.14 3mx0 s VAL 338 N 1.34 2.88 -0.09 0.00 1.01 0.72 -4.88 120.40 121.39 3mx0 s VAL 338 Ca 0.00 -0.96 0.21 0.00 0.00 0.00 0.00 61.98 61.24 3mx0 s VAL 338 Cb -0.14 -2.92 0.44 0.00 0.00 0.00 0.00 36.38 33.76 3mx0 s VAL 338 CO -0.07 0.00 1.18 0.61 0.00 0.00 0.00 175.10 176.82 3mx0 n GLY 339 N -1.95 2.30 3.53 4.51 0.00 -1.26 -0.89 105.19 111.43 3mx0 n GLY 339 Ca 0.09 -1.05 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 3mx0 n GLY 339 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3mx0 n MET 340 N -0.05 0.52 0.00 1.61 2.81 -1.24 -4.52 117.12 116.25 3mx0 n MET 340 Ca 0.11 -0.12 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 3mx0 n MET 340 Cb 1.00 -2.59 0.00 0.00 -0.71 0.00 0.00 33.22 30.91 3mx0 n MET 340 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3mx0 n GLY 341 N 6.23 0.44 0.08 3.03 0.00 -1.26 -4.25 105.19 109.46 3mx0 n GLY 341 Ca 0.51 -1.64 0.12 0.00 0.00 0.00 0.00 46.02 45.01 3mx0 n GLY 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mx0 h ALA 342 N 0.00 0.54 -2.02 4.61 0.00 -1.94 -3.47 119.26 116.98 3mx0 h ALA 342 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 3mx0 h ALA 342 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3mx0 h ALA 342 CO 0.00 0.00 -0.46 0.15 0.00 0.00 0.00 179.25 178.94 3mx0 s LYS 343 N -3.23 2.93 0.29 0.00 1.02 -1.26 -4.63 119.74 114.87 3mx0 s LYS 343 Ca 0.04 -1.11 0.11 0.00 0.02 0.00 0.00 55.97 55.04 3mx0 s LYS 343 Cb 0.12 -2.60 -0.05 0.00 -0.52 0.00 0.00 37.83 34.78 3mx0 s LYS 343 CO 0.75 0.25 -0.17 0.14 -0.92 0.00 0.00 175.35 175.40 3mx0 s VAL 344 N -2.19 2.48 -0.26 3.17 -7.23 -1.07 -3.69 120.40 111.61 3mx0 s VAL 344 Ca 0.37 -2.34 -0.02 0.00 -1.81 0.00 0.00 61.98 58.19 3mx0 s VAL 344 Cb -0.07 -2.40 0.08 0.00 0.56 0.00 0.00 36.38 34.55 3mx0 s VAL 344 CO 0.27 -0.35 0.07 -0.70 -0.31 0.00 0.00 175.10 174.07 3mx0 s GLU 345 N -3.54 0.73 -0.20 4.82 2.56 -0.07 -3.28 118.70 119.73 3mx0 s GLU 345 Ca 0.31 -0.82 -0.20 0.00 0.00 0.00 0.00 54.97 54.25 3mx0 s GLU 345 Cb -0.03 -2.03 -0.03 0.00 2.00 0.00 0.00 34.13 34.04 3mx0 s GLU 345 CO 0.16 -0.84 0.60 -0.51 -0.56 0.00 0.00 175.26 174.10 3mx0 s LEU 346 N 1.71 4.15 -0.30 2.70 1.43 -1.20 -0.20 118.68 126.96 3mx0 s LEU 346 Ca 0.05 0.80 -0.02 0.00 -1.03 0.00 0.00 54.13 53.93 3mx0 s LEU 346 Cb -0.17 -2.85 0.10 0.00 0.03 0.00 0.00 46.19 43.30 3mx0 s LEU 346 CO -0.19 -0.25 0.10 -0.13 0.23 0.00 0.00 176.35 176.12 3mx0 s ARG 347 N 1.82 0.58 -0.04 1.70 0.52 -0.17 -2.70 118.95 120.66 3mx0 s ARG 347 Ca 0.28 -0.92 0.04 0.00 -0.52 0.00 0.00 55.73 54.61 3mx0 s ARG 347 Cb -0.16 -1.78 -0.00 0.00 0.52 0.00 0.00 34.95 33.53 3mx0 s ARG 347 CO 0.10 -0.99 -0.17 1.67 0.02 0.00 0.00 175.30 175.94 3mx0 s TRP 348 N 1.75 1.65 0.33 -0.53 -2.14 -1.21 -3.47 118.94 115.31 3mx0 s TRP 348 Ca 0.09 -0.45 -0.28 0.00 2.66 0.00 0.00 56.10 58.13 3mx0 s TRP 348 Cb -0.17 -1.11 -0.09 0.00 -3.10 0.00 0.00 33.47 29.00 3mx0 s TRP 348 CO -0.28 -0.14 1.10 0.99 -2.66 0.00 0.00 176.95 175.96 3mx0 s THR 349 N -0.01 3.49 0.54 0.66 2.01 -0.71 -4.72 115.64 116.91 3mx0 s THR 349 Ca -0.02 1.38 -0.19 0.00 0.31 0.00 0.00 61.69 63.16 3mx0 s THR 349 Cb -0.11 -3.83 -0.06 0.00 0.01 0.00 0.00 72.50 68.52 3mx0 s THR 349 CO 0.02 0.23 1.11 -2.84 -0.69 0.00 0.00 174.62 172.45 3mx0 s PRO 350 N -1.82 3.42 0.19 4.92 0.02 -1.26 -2.28 135.00 138.18 3mx0 s PRO 350 Ca 0.49 1.55 -0.12 0.00 0.02 0.00 0.00 61.00 62.94 3mx0 s PRO 350 Cb -0.29 -2.02 -0.09 0.00 0.02 0.00 0.00 34.50 32.12 3mx0 s PRO 350 CO 0.38 -0.78 0.11 -2.30 -0.33 0.00 0.00 177.00 174.07 3mx0 n PRO 351 N -1.30 0.00 0.13 5.54 -0.02 -1.26 -4.04 135.00 134.06 3mx0 n PRO 351 Ca 0.11 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.61 3mx0 n PRO 351 Cb 0.51 -0.54 0.02 0.00 -0.02 0.00 0.00 33.50 33.48 3mx0 n PRO 351 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3mx0 h GLN 352 N 0.27 0.00 -4.16 -0.52 4.15 -1.80 -3.40 115.11 109.65 3mx0 h GLN 352 Ca -0.19 0.00 -0.60 0.00 0.77 0.00 0.00 58.65 58.63 3mx0 h GLN 352 Cb 0.78 0.00 -0.39 0.00 0.21 0.00 0.00 27.48 28.08 3mx0 h GLN 352 CO 0.27 0.54 -0.77 0.34 -1.93 0.00 0.00 178.83 177.27 3mx0 s ASP 353 N -6.48 3.88 0.48 -0.69 3.68 -1.26 -5.02 116.67 111.27 3mx0 s ASP 353 Ca 0.04 -1.34 0.32 0.00 2.13 0.00 0.00 52.55 53.70 3mx0 s ASP 353 Cb 0.08 -1.11 1.56 0.00 -1.45 0.00 0.00 42.92 42.00 3mx0 s ASP 353 CO 0.75 -0.29 1.98 0.77 0.13 0.00 0.00 175.17 178.50 3mx0 h SER 354 N 7.97 0.00 -0.21 -0.34 4.64 -1.92 -2.38 113.55 121.32 3mx0 h SER 354 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3mx0 h SER 354 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3mx0 h SER 354 CO 0.43 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.00 3mx0 n GLY 355 N -0.55 0.83 3.29 -0.77 0.00 -1.26 -4.18 105.19 102.55 3mx0 n GLY 355 Ca -0.01 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 3mx0 n GLY 355 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mx0 n GLY 356 N -0.83 -0.53 0.00 -0.02 0.00 -1.26 -3.39 105.19 99.17 3mx0 n GLY 356 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3mx0 n GLY 356 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mx0 n ARG 357 N -4.34 0.00 -2.70 1.61 1.74 -1.26 -4.82 116.66 106.89 3mx0 n ARG 357 Ca -0.06 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.96 3mx0 n ARG 357 Cb 0.59 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 32.13 3mx0 n ARG 357 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3mx0 n GLU 358 N 0.00 0.68 -0.42 5.56 1.02 -1.26 -4.93 120.64 121.29 3mx0 n GLU 358 Ca 0.00 -1.46 0.00 0.00 -0.02 0.00 0.00 57.16 55.68 3mx0 n GLU 358 Cb 0.00 -0.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.73 3mx0 n GLU 358 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3mx0 n ASP 359 N 0.41 0.00 -4.55 1.62 5.75 -1.26 -5.10 116.55 113.42 3mx0 n ASP 359 Ca 0.01 -1.43 -0.31 0.00 -0.01 0.00 0.00 54.79 53.05 3mx0 n ASP 359 Cb 0.72 -0.09 -0.04 0.00 -1.03 0.00 0.00 41.12 40.69 3mx0 n ASP 359 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3mx0 s ILE 360 N 0.00 3.10 0.45 2.12 1.01 -1.26 -4.78 121.20 121.84 3mx0 s ILE 360 Ca 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 60.65 60.55 3mx0 s ILE 360 Cb 0.00 -3.24 -0.06 0.00 0.01 0.00 0.00 42.46 39.16 3mx0 s ILE 360 CO 0.00 -0.24 0.84 0.68 0.00 0.00 0.00 174.94 176.22 3mx0 s VAL 361 N 12.04 4.74 -0.15 2.92 -7.23 -1.23 -4.82 120.40 126.67 3mx0 s VAL 361 Ca 0.89 0.72 -0.01 0.00 -1.81 0.00 0.00 61.98 61.78 3mx0 s VAL 361 Cb -0.15 -3.76 -0.01 0.00 0.56 0.00 0.00 36.38 33.03 3mx0 s VAL 361 CO 0.20 -0.64 -0.12 -0.31 -0.31 0.00 0.00 175.10 173.91 3mx0 s TYR 362 N -2.53 2.83 -0.14 2.82 1.51 -0.58 -2.15 117.35 119.11 3mx0 s TYR 362 Ca 0.53 -0.75 -0.03 0.00 -1.01 0.00 0.00 57.07 55.81 3mx0 s TYR 362 Cb -0.10 -1.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.83 3mx0 s TYR 362 CO 0.35 -0.30 -0.03 -1.54 -1.11 0.00 0.00 175.55 172.92 3mx0 s SER 363 N 0.56 4.91 -0.16 2.29 1.04 -0.85 -2.91 113.70 118.58 3mx0 s SER 363 Ca -0.08 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.30 3mx0 s SER 363 Cb -0.16 -1.67 0.00 0.00 0.10 0.00 0.00 66.02 64.29 3mx0 s SER 363 CO 0.03 0.23 -0.16 -0.69 0.98 0.00 0.00 173.24 173.64 3mx0 s VAL 364 N 0.02 2.62 0.35 5.02 1.01 -1.23 -0.37 120.40 127.82 3mx0 s VAL 364 Ca 0.01 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.30 3mx0 s VAL 364 Cb -0.13 -2.10 -0.07 0.00 0.00 0.00 0.00 36.38 34.08 3mx0 s VAL 364 CO 0.02 0.51 -0.07 0.42 0.00 0.00 0.00 175.10 175.98 3mx0 s THR 365 N 0.87 2.25 -0.17 3.92 -4.23 -0.85 -5.01 115.64 112.42 3mx0 s THR 365 Ca -0.04 -2.16 -0.12 0.00 -1.18 0.00 0.00 61.69 58.18 3mx0 s THR 365 Cb -0.15 -2.70 0.05 0.00 1.34 0.00 0.00 72.50 71.04 3mx0 s THR 365 CO -0.01 -0.18 0.44 0.00 -0.54 0.00 0.00 174.62 174.33 3mx0 s GLU 367 N 0.93 2.23 -0.16 0.00 2.12 0.12 -3.62 118.70 120.31 3mx0 s GLU 367 Ca -0.06 -2.19 -0.05 0.00 0.36 0.00 0.00 54.97 53.03 3mx0 s GLU 367 Cb -0.06 -1.87 0.08 0.00 0.26 0.00 0.00 34.13 32.54 3mx0 s GLU 367 CO -0.08 -0.54 0.32 -0.65 -0.54 0.00 0.00 175.26 173.77 3mx0 s GLN 368 N -4.13 0.22 0.08 4.30 -0.21 -1.24 -3.71 119.66 114.96 3mx0 s GLN 368 Ca 0.22 0.80 0.08 0.00 0.02 0.00 0.00 55.36 56.48 3mx0 s GLN 368 Cb -0.01 0.00 -0.03 0.00 1.00 0.00 0.00 33.01 33.97 3mx0 s GLN 368 CO 0.13 -0.31 -0.21 0.00 -2.12 0.00 0.00 175.29 172.78 3mx0 n TRP 370 N 1.41 2.91 -0.94 0.00 -0.00 -1.25 -1.80 117.44 117.77 3mx0 n TRP 370 Ca -0.18 -3.00 -0.07 0.00 -0.00 0.00 0.00 57.50 54.24 3mx0 n TRP 370 Cb 0.53 -0.15 -0.02 0.00 -0.00 0.00 0.00 31.31 31.67 3mx0 n TRP 370 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 3mx0 n PRO 371 N -0.41 0.00 0.00 5.87 -0.02 -1.26 0.19 135.00 139.37 3mx0 n PRO 371 Ca 0.33 -0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3mx0 n PRO 371 Cb 0.71 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.88 3mx0 n PRO 371 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3mx0 n SER 373 N 4.90 0.00 0.00 2.55 2.88 -1.26 -4.97 113.62 117.72 3mx0 n SER 373 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 3mx0 n SER 373 Cb 0.31 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 3mx0 n SER 373 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mx0 n GLY 374 N 0.00 0.94 3.64 0.46 0.00 0.13 -5.00 105.19 105.36 3mx0 n GLY 374 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3mx0 n GLY 374 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3mx0 s GLU 375 N -0.43 3.88 -0.25 1.61 4.04 -1.26 -4.40 118.70 121.88 3mx0 s GLU 375 Ca 0.00 2.31 0.02 0.00 0.04 0.00 0.00 54.97 57.33 3mx0 s GLU 375 Cb 0.00 -4.17 0.05 0.00 0.02 0.00 0.00 34.13 30.03 3mx0 s GLU 375 CO 0.00 -1.24 -0.11 0.00 -1.84 0.00 0.00 175.26 172.07 3mx0 n GLY 377 N 4.50 5.69 0.00 0.00 0.00 -1.21 -5.00 105.19 109.17 3mx0 n GLY 377 Ca -0.15 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.13 3mx0 n GLY 377 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3mx0 n PRO 378 N 0.00 -0.18 -2.46 1.61 -0.02 -1.26 -3.60 135.00 129.09 3mx0 n PRO 378 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.33 3mx0 n PRO 378 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 33.50 33.53 3mx0 n PRO 378 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mx0 s GLU 380 N -3.99 2.01 -0.05 0.00 2.02 -1.26 -5.01 118.70 112.42 3mx0 s GLU 380 Ca 0.46 -1.54 -0.01 0.00 0.02 0.00 0.00 54.97 53.90 3mx0 s GLU 380 Cb -0.04 -2.00 0.01 0.00 0.10 0.00 0.00 34.13 32.20 3mx0 s GLU 380 CO 0.29 0.36 2.15 0.00 0.02 0.00 0.00 175.26 178.08 3mx0 n ALA 381 N -0.66 4.39 -0.01 5.21 0.00 -1.26 -3.22 120.51 124.97 3mx0 n ALA 381 Ca -0.07 -0.43 -0.01 0.00 0.00 0.00 0.00 53.44 52.93 3mx0 n ALA 381 Cb 0.59 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.85 3mx0 n ALA 381 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3mx0 n SER 382 N 1.40 2.95 -4.70 0.00 3.41 -1.26 -5.02 113.62 110.40 3mx0 n SER 382 Ca 0.09 -0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.27 3mx0 n SER 382 Cb 0.55 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.44 3mx0 n SER 382 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3mx0 n VAL 383 N -2.67 0.20 -4.13 -3.33 0.24 -1.20 -4.71 118.33 102.73 3mx0 n VAL 383 Ca -0.03 -0.04 -0.29 0.00 -2.04 0.00 0.00 64.34 61.95 3mx0 n VAL 383 Cb 0.53 -2.00 -0.08 0.00 -1.47 0.00 0.00 33.84 30.81 3mx0 n VAL 383 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3mx0 s ARG 384 N 1.99 2.55 -0.08 7.34 1.81 0.16 -4.94 118.95 127.80 3mx0 s ARG 384 Ca 0.79 -0.88 0.05 0.00 -1.72 0.00 0.00 55.73 53.97 3mx0 s ARG 384 Cb -0.52 -2.52 -0.00 0.00 -0.45 0.00 0.00 34.95 31.46 3mx0 s ARG 384 CO 0.36 0.52 -0.23 0.71 -0.68 0.00 0.00 175.30 175.99 3mx0 s TYR 385 N -1.40 2.34 -2.00 -0.53 1.51 -1.26 0.01 117.35 116.03 3mx0 s TYR 385 Ca 0.26 -0.85 0.10 0.00 -1.01 0.00 0.00 57.07 55.58 3mx0 s TYR 385 Cb -0.11 -1.56 0.62 0.00 -0.11 0.00 0.00 41.96 40.79 3mx0 s TYR 385 CO 0.19 -0.32 1.12 -1.13 -1.11 0.00 0.00 175.55 174.30 3mx0 n SER 386 N 3.32 0.00 -3.64 2.29 3.41 0.14 -4.60 113.62 114.55 3mx0 n SER 386 Ca -0.19 -0.93 -0.07 0.00 -0.26 0.00 0.00 58.87 57.42 3mx0 n SER 386 Cb 0.53 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.41 3mx0 n SER 386 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3mx0 s GLU 387 N -2.00 0.64 -0.27 4.33 2.12 -1.26 -4.89 118.70 117.38 3mx0 s GLU 387 Ca 0.15 1.02 -0.42 0.00 0.36 0.00 0.00 54.97 56.08 3mx0 s GLU 387 Cb 0.07 0.18 -0.18 0.00 0.26 0.00 0.00 34.13 34.46 3mx0 s GLU 387 CO 0.12 -0.12 1.52 -2.30 -0.54 0.00 0.00 175.26 173.94 3mx0 n PRO 388 N 3.74 0.52 0.07 4.30 -0.02 -1.26 -4.73 135.00 137.62 3mx0 n PRO 388 Ca -0.18 0.19 0.16 0.00 -2.02 0.00 0.00 63.50 61.65 3mx0 n PRO 388 Cb 0.58 -1.77 0.35 0.00 -0.02 0.00 0.00 33.50 32.64 3mx0 n PRO 388 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3mx0 h PRO 389 N 5.31 0.00 -5.23 0.52 0.11 -1.94 -3.44 132.00 127.33 3mx0 h PRO 389 Ca -0.46 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.24 3mx0 h PRO 389 Cb 1.36 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.33 3mx0 h PRO 389 CO 0.89 0.00 -0.68 -1.01 -0.21 0.00 0.00 178.00 176.99 3mx0 s HIS 390 N -4.26 1.61 -0.25 0.65 3.76 -1.26 -3.48 115.29 112.06 3mx0 s HIS 390 Ca -0.02 -0.80 0.00 0.00 -0.15 0.00 0.00 55.06 54.09 3mx0 s HIS 390 Cb 0.09 -0.89 0.00 0.00 1.11 0.00 0.00 32.58 32.88 3mx0 s HIS 390 CO 0.29 0.10 0.00 0.41 -0.85 0.00 0.00 174.74 174.68 3mx0 n GLY 391 N -0.41 0.53 3.53 -2.22 0.00 -1.25 -4.87 105.19 100.50 3mx0 n GLY 391 Ca -0.06 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 3mx0 n GLY 391 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mx0 n LEU 392 N -0.27 1.37 -0.30 0.99 4.32 -1.15 -4.63 117.00 117.33 3mx0 n LEU 392 Ca -0.02 -0.46 0.14 0.00 -0.02 0.00 0.00 56.01 55.65 3mx0 n LEU 392 Cb 0.19 -1.32 0.63 0.00 -1.62 0.00 0.00 43.42 41.29 3mx0 n LEU 392 CO 0.04 -1.48 0.91 0.35 -1.22 0.00 0.00 177.39 175.99 3mx0 n THR 393 N 7.78 0.00 -3.23 -5.08 -2.24 -1.26 -1.53 114.28 108.72 3mx0 n THR 393 Ca 0.49 -0.16 -0.30 0.00 -2.27 0.00 0.00 64.05 61.81 3mx0 n THR 393 Cb 0.35 0.18 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 3mx0 n THR 393 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3mx0 s ARG 394 N -2.10 3.76 -0.51 -0.78 0.52 -1.26 -4.99 118.95 113.59 3mx0 s ARG 394 Ca 0.38 0.27 0.03 0.00 -0.52 0.00 0.00 55.73 55.89 3mx0 s ARG 394 Cb 0.21 -2.56 0.42 0.00 0.52 0.00 0.00 34.95 33.54 3mx0 s ARG 394 CO 0.37 0.18 1.47 0.25 0.02 0.00 0.00 175.30 177.59 3mx0 n THR 395 N -0.72 2.87 0.00 0.02 -2.24 -1.26 -4.89 114.28 108.05 3mx0 n THR 395 Ca 0.00 -4.25 0.00 0.00 -2.27 0.00 0.00 64.05 57.53 3mx0 n THR 395 Cb 0.53 -1.21 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 3mx0 n THR 395 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3mx0 n SER 396 N -0.64 0.00 -3.04 3.42 2.88 -1.26 -3.28 113.62 111.70 3mx0 n SER 396 Ca 0.47 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.88 3mx0 n SER 396 Cb 0.68 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.12 3mx0 n SER 396 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3mx0 s VAL 397 N -0.18 0.00 -0.00 2.46 -7.23 -1.10 -5.05 120.40 109.30 3mx0 s VAL 397 Ca 0.00 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 3mx0 s VAL 397 Cb 0.00 -2.77 0.00 0.00 0.56 0.00 0.00 36.38 34.17 3mx0 s VAL 397 CO 0.00 0.00 -0.00 -0.89 -0.31 0.00 0.00 175.10 173.90 3mx0 s THR 398 N -2.69 0.03 -0.18 5.32 2.01 -1.26 -3.26 115.64 115.61 3mx0 s THR 398 Ca 0.27 -0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.26 3mx0 s THR 398 Cb -0.02 -0.04 0.03 0.00 0.01 0.00 0.00 72.50 72.48 3mx0 s THR 398 CO 0.19 0.02 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.32 3mx0 s VAL 399 N 0.04 1.70 0.50 3.82 1.01 -1.20 0.25 120.40 126.51 3mx0 s VAL 399 Ca -0.00 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 61.12 3mx0 s VAL 399 Cb -0.01 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.69 3mx0 s VAL 399 CO -0.00 0.29 0.36 -0.94 0.00 0.00 0.00 175.10 174.81 3mx0 s SER 400 N 1.39 4.68 -0.37 3.32 1.04 0.10 -2.61 113.70 121.26 3mx0 s SER 400 Ca 0.01 -1.12 -0.03 0.00 0.48 0.00 0.00 55.95 55.29 3mx0 s SER 400 Cb -0.15 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.05 3mx0 s SER 400 CO -0.09 -0.92 0.38 -0.67 0.98 0.00 0.00 173.24 172.92 3mx0 n ASP 401 N -1.63 -5.39 -3.76 7.02 4.64 -1.26 0.40 116.55 116.58 3mx0 n ASP 401 Ca -0.01 0.08 -0.23 0.00 -1.38 0.00 0.00 54.79 53.26 3mx0 n ASP 401 Cb 0.64 -3.51 -0.18 0.00 -1.04 0.00 0.00 41.12 37.03 3mx0 n ASP 401 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3mx0 s LEU 402 N -2.73 0.57 -0.14 -2.67 1.43 -1.26 -3.51 118.68 110.36 3mx0 s LEU 402 Ca 0.05 -0.12 -0.29 0.00 -1.03 0.00 0.00 54.13 52.74 3mx0 s LEU 402 Cb -0.01 -0.41 -0.04 0.00 0.03 0.00 0.00 46.19 45.75 3mx0 s LEU 402 CO 0.44 -0.21 1.67 -0.70 0.23 0.00 0.00 176.35 177.78 3mx0 s GLU 403 N 1.99 3.93 0.22 1.70 2.12 -1.26 -4.89 118.70 122.50 3mx0 s GLU 403 Ca 0.05 1.93 -0.32 0.00 0.36 0.00 0.00 54.97 56.98 3mx0 s GLU 403 Cb -0.13 -4.04 -0.14 0.00 0.26 0.00 0.00 34.13 30.09 3mx0 s GLU 403 CO -0.05 -1.14 1.41 -2.30 -0.54 0.00 0.00 175.26 172.64 3mx0 n PRO 404 N 7.49 1.97 -1.62 4.30 -0.02 -1.26 -4.38 135.00 141.49 3mx0 n PRO 404 Ca 0.19 0.70 -0.00 0.00 -2.02 0.00 0.00 63.50 62.37 3mx0 n PRO 404 Cb 0.44 -2.37 -0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3mx0 n PRO 404 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3mx0 n HIS 405 N 2.11 -0.41 -3.58 6.00 -0.00 0.85 -4.93 115.22 115.27 3mx0 n HIS 405 Ca 0.13 0.20 -0.01 0.00 -0.00 0.00 0.00 57.72 58.03 3mx0 n HIS 405 Cb 0.30 -1.75 -0.05 0.00 -0.00 0.00 0.00 29.99 28.50 3mx0 n HIS 405 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 3mx0 s MET 406 N -0.39 0.51 0.00 1.57 0.00 -1.26 -4.89 119.30 114.84 3mx0 s MET 406 Ca -0.01 1.17 -0.16 0.00 0.00 0.00 0.00 55.69 56.68 3mx0 s MET 406 Cb 0.00 0.59 -0.20 0.00 0.00 0.00 0.00 34.83 35.22 3mx0 s MET 406 CO 0.08 -0.16 1.21 -1.71 0.00 0.00 0.00 175.02 174.44 3mx0 n ASN 407 N 5.01 0.44 -4.56 1.11 5.15 -0.75 -4.34 115.26 117.33 3mx0 n ASN 407 Ca -0.13 -2.05 -0.24 0.00 -0.60 0.00 0.00 54.58 51.56 3mx0 n ASN 407 Cb 0.52 -0.43 -0.05 0.00 -0.53 0.00 0.00 39.78 39.29 3mx0 n ASN 407 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3mx0 s TYR 408 N 5.65 1.48 -0.49 1.20 1.51 -0.81 -3.79 117.35 122.11 3mx0 s TYR 408 Ca 0.36 1.22 -0.26 0.00 -1.01 0.00 0.00 57.07 57.38 3mx0 s TYR 408 Cb 0.08 -3.79 0.03 0.00 -0.11 0.00 0.00 41.96 38.17 3mx0 s TYR 408 CO 0.19 -1.83 0.99 0.99 -1.11 0.00 0.00 175.55 174.78 3mx0 s THR 409 N 11.82 4.37 0.08 -0.71 2.01 -1.24 -2.86 115.64 129.10 3mx0 s THR 409 Ca 0.80 0.78 0.02 0.00 0.31 0.00 0.00 61.69 63.60 3mx0 s THR 409 Cb -0.11 -4.51 -0.04 0.00 0.01 0.00 0.00 72.50 67.85 3mx0 s THR 409 CO 0.07 -0.96 0.14 -0.36 -0.69 0.00 0.00 174.62 172.83 3mx0 s PHE 410 N 4.03 3.33 -0.22 4.92 0.40 0.19 0.11 117.98 130.75 3mx0 s PHE 410 Ca 0.39 0.14 -0.04 0.00 -0.60 0.00 0.00 56.93 56.82 3mx0 s PHE 410 Cb -0.10 -1.67 0.11 0.00 0.51 0.00 0.00 43.02 41.88 3mx0 s PHE 410 CO 0.26 0.55 0.38 -0.08 0.70 0.00 0.00 175.22 177.03 3mx0 s THR 411 N -1.47 -0.60 0.03 0.64 -1.32 -1.04 0.52 115.64 112.40 3mx0 s THR 411 Ca 0.32 0.03 0.01 0.00 -1.21 0.00 0.00 61.69 60.84 3mx0 s THR 411 Cb -0.12 -0.74 -0.04 0.00 -1.51 0.00 0.00 72.50 70.09 3mx0 s THR 411 CO 0.25 -0.05 0.07 0.54 -2.21 0.00 0.00 174.62 173.22 3mx0 s VAL 412 N 2.55 4.61 0.01 5.08 0.11 -1.07 -2.01 120.40 129.69 3mx0 s VAL 412 Ca 0.07 -0.56 0.03 0.00 -2.93 0.00 0.00 61.98 58.60 3mx0 s VAL 412 Cb -0.14 -3.15 -0.01 0.00 -1.53 0.00 0.00 36.38 31.55 3mx0 s VAL 412 CO -0.14 0.27 -0.11 -0.70 -3.33 0.00 0.00 175.10 171.09 3mx0 s GLU 413 N -1.97 0.81 -0.23 1.54 2.12 0.50 -2.08 118.70 119.39 3mx0 s GLU 413 Ca 0.25 -0.50 -0.16 0.00 0.36 0.00 0.00 54.97 54.91 3mx0 s GLU 413 Cb -0.12 -0.77 -0.04 0.00 0.26 0.00 0.00 34.13 33.46 3mx0 s GLU 413 CO 0.17 0.20 0.43 0.00 -0.54 0.00 0.00 175.26 175.52 3mx0 s ALA 414 N -0.51 3.56 0.12 6.30 0.00 -0.88 -2.01 121.76 128.34 3mx0 s ALA 414 Ca 0.02 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.39 3mx0 s ALA 414 Cb -0.05 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.34 3mx0 s ALA 414 CO 0.00 -0.49 0.01 0.54 0.00 0.00 0.00 175.76 175.82 3mx0 n ARG 415 N 4.92 1.68 -0.23 0.00 1.74 -0.91 -4.44 116.66 119.41 3mx0 n ARG 415 Ca -0.07 -0.88 0.00 0.00 -0.77 0.00 0.00 57.85 56.13 3mx0 n ARG 415 Cb 0.51 0.22 0.00 0.00 -1.02 0.00 0.00 32.46 32.17 3mx0 n ARG 415 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3mx0 n ASN 416 N -1.14 0.00 -0.01 0.55 0.23 -1.26 -3.57 115.26 110.05 3mx0 n ASN 416 Ca -0.05 -0.21 -0.05 0.00 -0.53 0.00 0.00 54.58 53.75 3mx0 n ASN 416 Cb 0.15 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.01 3mx0 n ASN 416 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3mx0 h GLY 417 N 0.00 0.61 -4.27 4.83 0.00 -1.96 -2.92 103.07 99.36 3mx0 h GLY 417 Ca 0.00 -0.52 -0.64 0.00 0.00 0.00 0.00 47.33 46.17 3mx0 h GLY 417 CO 0.00 0.47 0.82 3.33 0.00 0.00 0.00 176.54 181.16 3mx0 n VAL 418 N -4.10 3.48 -0.02 4.60 0.24 -1.26 -4.53 118.33 116.74 3mx0 n VAL 418 Ca -0.00 -3.16 -0.03 0.00 -2.04 0.00 0.00 64.34 59.11 3mx0 n VAL 418 Cb 0.43 -1.25 -0.13 0.00 -1.47 0.00 0.00 33.84 31.42 3mx0 n VAL 418 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3mx0 n SER 419 N -0.46 0.51 -0.39 -1.34 7.64 -1.10 -3.98 113.62 114.50 3mx0 n SER 419 Ca 0.54 0.23 0.01 0.00 1.01 0.00 0.00 58.87 60.66 3mx0 n SER 419 Cb 0.51 0.58 0.04 0.00 -1.01 0.00 0.00 64.21 64.33 3mx0 n SER 419 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mx0 n GLY 420 N 1.51 0.53 0.30 0.23 0.00 -1.26 -3.45 105.19 103.05 3mx0 n GLY 420 Ca -0.17 -0.08 0.03 0.00 0.00 0.00 0.00 46.02 45.79 3mx0 n GLY 420 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mx0 n LEU 421 N -0.11 2.07 -3.70 0.99 4.32 -1.26 -4.99 117.00 114.33 3mx0 n LEU 421 Ca 0.03 -1.57 -0.11 0.00 -0.02 0.00 0.00 56.01 54.34 3mx0 n LEU 421 Cb 0.21 -0.07 -0.11 0.00 -1.62 0.00 0.00 43.42 41.83 3mx0 n LEU 421 CO 0.02 0.49 0.05 -0.69 -1.22 0.00 0.00 177.39 176.04 3mx0 s VAL 422 N -0.79 -0.02 0.09 4.08 1.01 -1.22 -5.05 120.40 118.50 3mx0 s VAL 422 Ca 0.10 0.09 -0.19 0.00 0.00 0.00 0.00 61.98 61.97 3mx0 s VAL 422 Cb 0.06 -0.59 -0.08 0.00 0.00 0.00 0.00 36.38 35.77 3mx0 s VAL 422 CO 0.08 0.04 1.62 0.71 0.00 0.00 0.00 175.10 177.55 3mx0 h THR 423 N 5.46 1.18 -0.64 3.92 1.35 -1.94 -3.42 112.91 118.81 3mx0 h THR 423 Ca -0.36 -0.55 -0.55 0.00 -0.55 0.00 0.00 66.41 64.40 3mx0 h THR 423 Cb 1.18 1.13 -0.04 0.00 -1.73 0.00 0.00 68.15 68.69 3mx0 h THR 423 CO 0.30 0.18 1.61 -0.24 -0.25 0.00 0.00 175.52 177.12 3mx0 n SER 424 N -4.79 1.25 -3.67 5.36 2.88 -1.26 -4.94 113.62 108.45 3mx0 n SER 424 Ca -0.03 0.10 -0.28 0.00 -1.33 0.00 0.00 58.87 57.32 3mx0 n SER 424 Cb 0.14 -1.16 0.22 0.00 -0.75 0.00 0.00 64.21 62.65 3mx0 n SER 424 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3mx0 n ARG 425 N 8.47 -2.10 -3.16 -1.46 5.12 -1.26 -4.99 116.66 117.27 3mx0 n ARG 425 Ca 0.52 -1.82 0.03 0.00 -1.93 0.00 0.00 57.85 54.65 3mx0 n ARG 425 Cb 0.20 -1.43 -0.00 0.00 -1.16 0.00 0.00 32.46 30.07 3mx0 n ARG 425 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3mx0 s SER 426 N -5.01 -1.57 0.31 0.55 0.01 -1.26 -4.97 113.70 101.76 3mx0 s SER 426 Ca 0.70 -0.05 0.04 0.00 1.31 0.00 0.00 55.95 57.94 3mx0 s SER 426 Cb -0.04 1.99 -0.06 0.00 0.21 0.00 0.00 66.02 68.12 3mx0 s SER 426 CO 0.51 -0.26 0.05 0.72 0.41 0.00 0.00 173.24 174.67 3mx0 s PHE 427 N 2.59 1.91 -0.06 2.43 -0.12 -1.26 -2.07 117.98 121.41 3mx0 s PHE 427 Ca 0.12 -0.95 0.01 0.00 -0.05 0.00 0.00 56.93 56.06 3mx0 s PHE 427 Cb -0.08 -1.23 0.02 0.00 -0.63 0.00 0.00 43.02 41.10 3mx0 s PHE 427 CO -0.21 0.00 -0.07 0.50 -0.05 0.00 0.00 175.22 175.39 3mx0 s ARG 428 N -3.89 1.20 0.71 1.99 3.52 -0.88 -4.77 118.95 116.83 3mx0 s ARG 428 Ca 0.36 -0.23 -0.06 0.00 -0.13 0.00 0.00 55.73 55.67 3mx0 s ARG 428 Cb 0.08 -1.11 0.08 0.00 -1.56 0.00 0.00 34.95 32.44 3mx0 s ARG 428 CO 0.15 -0.06 1.02 0.95 -0.81 0.00 0.00 175.30 176.54 3mx0 s THR 429 N 0.91 2.27 -0.30 4.11 -4.23 -1.26 -2.60 115.64 114.54 3mx0 s THR 429 Ca -0.11 -0.31 -0.19 0.00 -1.18 0.00 0.00 61.69 59.90 3mx0 s THR 429 Cb -0.15 -2.96 0.19 0.00 1.34 0.00 0.00 72.50 70.93 3mx0 s THR 429 CO 0.01 0.00 1.27 0.00 -0.54 0.00 0.00 174.62 175.36 3mx0 s ALA 430 N -3.25 -2.47 0.05 3.99 0.00 0.19 -4.88 121.76 115.39 3mx0 s ALA 430 Ca 0.62 1.92 0.05 0.00 0.00 0.00 0.00 51.96 54.54 3mx0 s ALA 430 Cb -0.10 -1.87 -0.02 0.00 0.00 0.00 0.00 23.12 21.13 3mx0 s ALA 430 CO 0.45 -0.25 -0.14 -1.12 0.00 0.00 0.00 175.76 174.69 3mx0 s SER 431 N 0.75 1.71 0.33 0.00 0.01 -1.26 0.57 113.70 115.81 3mx0 s SER 431 Ca -0.03 -0.49 0.02 0.00 1.31 0.00 0.00 55.95 56.76 3mx0 s SER 431 Cb -0.03 -0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.08 3mx0 s SER 431 CO -0.12 0.02 0.36 -0.69 0.41 0.00 0.00 173.24 173.22 3mx0 s VAL 432 N -0.93 0.00 0.17 3.43 1.01 -1.14 -4.95 120.40 118.00 3mx0 s VAL 432 Ca 0.01 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.18 3mx0 s VAL 432 Cb -0.08 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 3mx0 s VAL 432 CO 0.01 0.00 0.06 -0.44 0.00 0.00 0.00 175.10 174.74 3mx0 s SER 433 N -3.30 0.65 0.00 3.32 0.01 -1.26 -1.93 113.70 111.20 3mx0 s SER 433 Ca 0.36 -1.26 -0.13 0.00 1.31 0.00 0.00 55.95 56.23 3mx0 s SER 433 Cb 0.01 0.24 0.02 0.00 0.21 0.00 0.00 66.02 66.50 3mx0 s SER 433 CO 0.23 -0.71 0.26 -0.51 0.41 0.00 0.00 173.24 172.93 3mx0 s ILE 434 N -3.92 0.07 0.00 1.44 1.10 -1.26 -4.93 121.20 113.70 3mx0 s ILE 434 Ca 0.29 -0.60 0.00 0.00 -0.51 0.00 0.00 60.65 59.83 3mx0 s ILE 434 Cb 0.07 -0.66 0.00 0.00 0.15 0.00 0.00 42.46 42.02 3mx0 s ILE 434 CO 0.06 -0.33 0.00 -0.46 -2.11 0.00 0.00 174.94 172.10