#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aoz s GLN 2 N 0.00 2.26 -0.23 1.43 -1.52 -1.26 -4.99 119.66 115.35 1aoz s GLN 2 Ca 0.00 -1.65 -0.08 0.00 -1.95 0.00 0.00 55.36 51.67 1aoz s GLN 2 Cb 0.00 -2.07 -0.04 0.00 -0.22 0.00 0.00 33.01 30.68 1aoz s GLN 2 CO 0.00 0.08 0.10 0.42 -0.25 0.00 0.00 175.29 175.65 1aoz s ILE 3 N -2.48 4.81 -0.34 1.08 1.01 -1.26 -2.03 121.20 121.99 1aoz s ILE 3 Ca 0.37 -0.01 -0.10 0.00 0.00 0.00 0.00 60.65 60.91 1aoz s ILE 3 Cb -0.01 -3.23 0.01 0.00 0.01 0.00 0.00 42.46 39.24 1aoz s ILE 3 CO 0.22 0.37 0.18 -0.13 0.00 0.00 0.00 174.94 175.57 1aoz s ARG 4 N 1.11 3.09 -0.13 2.79 1.81 -0.09 -4.98 118.95 122.55 1aoz s ARG 4 Ca 0.05 -0.89 -0.01 0.00 -1.72 0.00 0.00 55.73 53.16 1aoz s ARG 4 Cb -0.14 -3.64 -0.02 0.00 -0.45 0.00 0.00 34.95 30.70 1aoz s ARG 4 CO 0.04 -0.55 -0.11 -1.58 -0.68 0.00 0.00 175.30 172.42 1aoz s HIS 5 N 1.58 2.86 0.14 -0.53 2.46 -1.26 -0.43 115.29 120.12 1aoz s HIS 5 Ca 0.03 -0.56 0.10 0.00 0.47 0.00 0.00 55.06 55.11 1aoz s HIS 5 Cb -0.18 -1.87 -0.04 0.00 -0.13 0.00 0.00 32.58 30.36 1aoz s HIS 5 CO 0.06 -0.16 -0.23 0.71 -2.47 0.00 0.00 174.74 172.65 1aoz s TYR 6 N 0.33 2.08 -0.13 3.88 1.51 0.66 -4.98 117.35 120.71 1aoz s TYR 6 Ca -0.09 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.54 1aoz s TYR 6 Cb -0.15 -1.10 0.05 0.00 -0.11 0.00 0.00 41.96 40.65 1aoz s TYR 6 CO 0.05 0.33 0.06 0.21 -1.11 0.00 0.00 175.55 175.09 1aoz s LYS 7 N -2.25 0.25 0.02 -0.62 2.20 -1.26 -1.31 119.74 116.78 1aoz s LYS 7 Ca 0.13 -0.03 0.03 0.00 -0.36 0.00 0.00 55.97 55.75 1aoz s LYS 7 Cb -0.09 -1.48 -0.02 0.00 -1.51 0.00 0.00 37.83 34.74 1aoz s LYS 7 CO 0.06 -0.53 -0.10 -1.58 -0.36 0.00 0.00 175.35 172.84 1aoz s TRP 8 N 2.06 0.89 -0.11 4.03 0.51 -0.15 -4.98 118.94 121.19 1aoz s TRP 8 Ca 0.02 -0.29 0.03 0.00 -2.12 0.00 0.00 56.10 53.75 1aoz s TRP 8 Cb -0.15 -0.55 -0.00 0.00 -0.81 0.00 0.00 33.47 31.96 1aoz s TRP 8 CO -0.07 -0.01 -0.22 -1.21 -0.51 0.00 0.00 176.95 174.93 1aoz s GLU 9 N -0.81 3.10 -0.16 4.98 2.02 -1.26 -1.12 118.70 125.45 1aoz s GLU 9 Ca -0.00 -0.84 -0.15 0.00 0.02 0.00 0.00 54.97 54.00 1aoz s GLU 9 Cb -0.06 -2.37 -0.04 0.00 0.10 0.00 0.00 34.13 31.75 1aoz s GLU 9 CO 0.00 0.16 0.34 0.08 0.02 0.00 0.00 175.26 175.87 1aoz s VAL 10 N 0.39 5.27 -0.15 2.63 1.01 -0.71 -2.04 120.40 126.80 1aoz s VAL 10 Ca -0.16 0.64 -0.20 0.00 0.00 0.00 0.00 61.98 62.25 1aoz s VAL 10 Cb -0.17 -3.68 0.05 0.00 0.00 0.00 0.00 36.38 32.58 1aoz s VAL 10 CO 0.07 0.35 0.53 -0.70 0.00 0.00 0.00 175.10 175.35 1aoz s GLU 11 N 0.69 0.71 0.60 2.72 2.12 -0.68 -0.71 118.70 124.15 1aoz s GLU 11 Ca 0.18 0.55 -0.12 0.00 0.36 0.00 0.00 54.97 55.94 1aoz s GLU 11 Cb -0.14 0.34 -0.04 0.00 0.26 0.00 0.00 34.13 34.55 1aoz s GLU 11 CO 0.06 -0.13 1.02 0.71 -0.54 0.00 0.00 175.26 176.38 1aoz s TYR 12 N -0.17 3.57 0.19 5.30 2.02 -1.26 -0.54 117.35 126.46 1aoz s TYR 12 Ca -0.04 1.33 -0.21 0.00 -0.37 0.00 0.00 57.07 57.78 1aoz s TYR 12 Cb -0.03 -2.74 0.05 0.00 -0.40 0.00 0.00 41.96 38.83 1aoz s TYR 12 CO 0.03 -0.66 0.61 0.00 -1.57 0.00 0.00 175.55 173.95 1aoz s MET 13 N -4.96 1.40 0.08 -0.62 0.23 -0.92 -4.86 119.30 109.65 1aoz s MET 13 Ca 0.56 -0.65 -0.22 0.00 -1.03 0.00 0.00 55.69 54.35 1aoz s MET 13 Cb -0.11 0.58 -0.07 0.00 -1.53 0.00 0.00 34.83 33.70 1aoz s MET 13 CO 0.50 -0.61 0.65 -0.06 -2.03 0.00 0.00 175.02 173.47 1aoz s PHE 14 N -3.81 3.81 0.15 3.16 0.08 -1.26 -1.13 117.98 118.98 1aoz s PHE 14 Ca 0.04 1.38 -0.18 0.00 0.12 0.00 0.00 56.93 58.30 1aoz s PHE 14 Cb -0.02 -2.63 0.04 0.00 -0.57 0.00 0.00 43.02 39.85 1aoz s PHE 14 CO -0.07 0.49 0.49 -0.46 -0.10 0.00 0.00 175.22 175.57 1aoz s TRP 15 N -0.84 -0.27 -0.47 0.36 -0.11 -0.56 -4.87 118.94 112.18 1aoz s TRP 15 Ca 0.32 -0.03 0.04 0.00 1.22 0.00 0.00 56.10 57.65 1aoz s TRP 15 Cb -0.20 0.38 0.16 0.00 -1.50 0.00 0.00 33.47 32.30 1aoz s TRP 15 CO 0.21 -0.80 0.35 0.00 -4.62 0.00 0.00 176.95 172.09 1aoz s ALA 16 N -3.81 1.91 0.37 5.86 0.00 -1.26 -0.95 121.76 123.89 1aoz s ALA 16 Ca 0.04 -2.68 0.06 0.00 0.00 0.00 0.00 51.96 49.38 1aoz s ALA 16 Cb 0.00 -1.74 0.77 0.00 0.00 0.00 0.00 23.12 22.15 1aoz s ALA 16 CO -0.10 -2.02 1.98 -1.35 0.00 0.00 0.00 175.76 174.27 1aoz h PRO 17 N 5.86 0.69 -0.37 0.00 0.11 -1.84 -2.10 132.00 134.36 1aoz h PRO 17 Ca 0.19 -0.04 -0.27 0.00 0.11 0.00 0.00 66.00 65.99 1aoz h PRO 17 Cb 0.89 -0.16 -0.22 0.00 0.11 0.00 0.00 31.00 31.62 1aoz h PRO 17 CO 0.44 0.46 -0.68 0.27 -0.21 0.00 0.00 178.00 178.28 1aoz n ASN 18 N -4.47 3.22 -1.63 -2.05 2.04 -1.25 -2.03 115.26 109.10 1aoz n ASN 18 Ca 0.09 -3.75 -0.21 0.00 -0.44 0.00 0.00 54.58 50.27 1aoz n ASN 18 Cb 0.19 -0.43 -0.09 0.00 -2.53 0.00 0.00 39.78 36.92 1aoz n ASN 18 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1aoz s ASN 20 N -2.76 3.04 0.16 0.00 0.01 -1.26 -5.01 114.94 109.13 1aoz s ASN 20 Ca 0.00 -0.70 -0.30 0.00 -0.71 0.00 0.00 52.86 51.15 1aoz s ASN 20 Cb 0.00 -1.17 -0.08 0.00 0.41 0.00 0.00 41.25 40.41 1aoz s ASN 20 CO 0.00 -0.12 1.24 -0.70 -1.51 0.00 0.00 177.10 176.01 1aoz s GLU 21 N 1.46 4.44 0.09 -0.60 2.12 -1.26 -4.26 118.70 120.70 1aoz s GLU 21 Ca 0.01 1.91 -0.00 0.00 0.36 0.00 0.00 54.97 57.25 1aoz s GLU 21 Cb -0.15 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 30.99 1aoz s GLU 21 CO -0.09 -0.19 0.13 -1.71 -0.54 0.00 0.00 175.26 172.86 1aoz n ASN 22 N 2.92 -0.36 -4.78 -1.70 2.85 -0.12 -4.99 115.26 109.08 1aoz n ASN 22 Ca 0.06 -1.52 -0.34 0.00 -0.11 0.00 0.00 54.58 52.68 1aoz n ASN 22 Cb 0.44 0.68 -0.07 0.00 1.24 0.00 0.00 39.78 42.07 1aoz n ASN 22 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1aoz s ILE 23 N -2.53 4.77 0.19 -1.44 -4.36 -1.26 -1.50 121.20 115.08 1aoz s ILE 23 Ca 0.08 -0.32 0.10 0.00 -0.26 0.00 0.00 60.65 60.25 1aoz s ILE 23 Cb -0.00 -3.15 -0.04 0.00 1.25 0.00 0.00 42.46 40.51 1aoz s ILE 23 CO 0.06 0.41 -0.20 0.54 0.24 0.00 0.00 174.94 175.99 1aoz s VAL 24 N -1.14 2.07 -0.47 8.37 0.11 -0.28 -4.89 120.40 124.16 1aoz s VAL 24 Ca 0.21 -2.05 -0.20 0.00 -2.93 0.00 0.00 61.98 57.01 1aoz s VAL 24 Cb -0.12 -2.01 0.04 0.00 -1.53 0.00 0.00 36.38 32.76 1aoz s VAL 24 CO 0.12 -0.29 0.65 -0.32 -3.33 0.00 0.00 175.10 171.93 1aoz s MET 25 N -2.93 3.23 0.25 1.54 1.75 -0.01 -2.16 119.30 120.97 1aoz s MET 25 Ca 0.20 -0.53 0.01 0.00 -1.25 0.00 0.00 55.69 54.12 1aoz s MET 25 Cb -0.06 -4.00 -0.04 0.00 2.84 0.00 0.00 34.83 33.57 1aoz s MET 25 CO 0.09 -1.11 0.42 0.20 -0.65 0.00 0.00 175.02 173.97 1aoz s GLY 26 N 2.26 1.49 -0.17 2.11 0.00 0.30 -3.88 107.32 109.44 1aoz s GLY 26 Ca 0.21 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 43.96 1aoz s GLY 26 CO 0.17 -0.95 -0.19 -0.42 0.00 0.00 0.00 173.10 171.70 1aoz s ILE 27 N -2.02 1.99 -1.53 0.90 1.01 -0.71 -1.68 121.20 119.15 1aoz s ILE 27 Ca 0.37 -0.90 -0.14 0.00 0.00 0.00 0.00 60.65 59.98 1aoz s ILE 27 Cb -0.10 -1.80 0.09 0.00 0.01 0.00 0.00 42.46 40.66 1aoz s ILE 27 CO 0.31 0.53 0.89 0.59 0.00 0.00 0.00 174.94 177.26 1aoz n ASN 28 N 4.55 -4.60 0.00 3.58 3.02 -0.87 -0.52 115.26 120.43 1aoz n ASN 28 Ca -0.20 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 1aoz n ASN 28 Cb 0.50 -3.69 0.00 0.00 -0.61 0.00 0.00 39.78 35.98 1aoz n ASN 28 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1aoz n GLY 29 N -1.59 0.48 3.74 7.41 0.00 -1.26 -5.02 105.19 108.95 1aoz n GLY 29 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1aoz n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1aoz s GLN 30 N -0.43 2.98 -0.04 1.61 -1.52 0.32 -5.03 119.66 117.55 1aoz s GLN 30 Ca 0.00 -0.51 -0.01 0.00 -1.95 0.00 0.00 55.36 52.90 1aoz s GLN 30 Cb 0.00 -2.80 0.03 0.00 -0.22 0.00 0.00 33.01 30.02 1aoz s GLN 30 CO 0.00 0.65 0.02 0.12 -0.25 0.00 0.00 175.29 175.83 1aoz s PHE 31 N -1.12 0.31 1.12 0.91 5.36 -1.26 -1.74 117.98 121.56 1aoz s PHE 31 Ca 0.21 0.05 -0.14 0.00 -0.96 0.00 0.00 56.93 56.09 1aoz s PHE 31 Cb -0.12 -0.52 0.22 0.00 -0.34 0.00 0.00 43.02 42.27 1aoz s PHE 31 CO 0.11 -0.20 0.80 -2.30 -1.46 0.00 0.00 175.22 172.17 1aoz n PRO 32 N 4.77 -1.95 -0.75 10.12 -0.02 -1.26 -4.96 135.00 140.95 1aoz n PRO 32 Ca -0.14 -0.54 -0.29 0.00 -2.02 0.00 0.00 63.50 60.52 1aoz n PRO 32 Cb 0.50 -2.08 0.24 0.00 -0.02 0.00 0.00 33.50 32.14 1aoz n PRO 32 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1aoz s GLY 33 N -2.30 1.53 0.58 -1.23 0.00 -0.68 -4.89 107.32 100.32 1aoz s GLY 33 Ca 0.65 -0.40 -0.19 0.00 0.00 0.00 0.00 44.72 44.78 1aoz s GLY 33 CO 0.65 0.36 1.19 -4.14 0.00 0.00 0.00 173.10 171.16 1aoz s PRO 34 N -4.78 3.10 0.08 2.90 0.02 -1.26 -4.61 135.00 130.45 1aoz s PRO 34 Ca 0.68 1.78 -0.26 0.00 0.02 0.00 0.00 61.00 63.22 1aoz s PRO 34 Cb -0.20 -1.97 -0.06 0.00 0.02 0.00 0.00 34.50 32.29 1aoz s PRO 34 CO 0.61 -1.10 0.82 0.99 -0.33 0.00 0.00 177.00 177.99 1aoz s THR 35 N -1.63 4.63 -0.21 0.99 2.01 -1.26 -4.40 115.64 115.76 1aoz s THR 35 Ca 0.76 1.75 -0.12 0.00 0.31 0.00 0.00 61.69 64.39 1aoz s THR 35 Cb -0.29 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.00 1aoz s THR 35 CO 0.32 0.37 0.22 -0.63 -0.69 0.00 0.00 174.62 174.21 1aoz s ILE 36 N -0.17 5.33 -0.02 1.82 1.01 -0.57 -5.01 121.20 123.59 1aoz s ILE 36 Ca 0.40 0.34 0.04 0.00 0.00 0.00 0.00 60.65 61.43 1aoz s ILE 36 Cb -0.22 -3.56 -0.00 0.00 0.01 0.00 0.00 42.46 38.69 1aoz s ILE 36 CO 0.25 0.35 -0.13 -0.60 0.00 0.00 0.00 174.94 174.81 1aoz s ARG 37 N 0.90 1.22 0.35 2.79 3.52 -1.26 -0.71 118.95 125.76 1aoz s ARG 37 Ca 0.11 -0.45 -0.00 0.00 -0.13 0.00 0.00 55.73 55.26 1aoz s ARG 37 Cb -0.13 -1.12 0.00 0.00 -1.56 0.00 0.00 34.95 32.13 1aoz s ARG 37 CO 0.04 0.21 0.46 0.00 -0.81 0.00 0.00 175.30 175.20 1aoz s ALA 38 N -0.04 0.98 0.09 6.12 0.00 -0.54 -4.97 121.76 123.40 1aoz s ALA 38 Ca -0.00 -1.63 0.08 0.00 0.00 0.00 0.00 51.96 50.40 1aoz s ALA 38 Cb -0.08 1.20 -0.04 0.00 0.00 0.00 0.00 23.12 24.20 1aoz s ALA 38 CO 0.01 -0.78 -0.14 -0.80 0.00 0.00 0.00 175.76 174.05 1aoz s ASN 39 N -3.27 4.14 0.12 0.00 0.02 -1.26 -0.89 114.94 113.79 1aoz s ASN 39 Ca 0.32 -0.44 -0.31 0.00 -1.02 0.00 0.00 52.86 51.41 1aoz s ASN 39 Cb -0.00 -0.71 -0.09 0.00 0.02 0.00 0.00 41.25 40.46 1aoz s ASN 39 CO 0.22 0.20 1.57 0.00 0.02 0.00 0.00 177.10 179.11 1aoz s ALA 40 N -1.13 3.71 0.00 0.60 0.00 -0.02 -1.83 121.76 123.09 1aoz s ALA 40 Ca 0.19 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.41 1aoz s ALA 40 Cb -0.11 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.37 1aoz s ALA 40 CO 0.11 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.39 1aoz n GLY 41 N 3.81 2.06 3.88 0.00 0.00 0.16 -4.03 105.19 111.07 1aoz n GLY 41 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1aoz n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aoz s ASP 42 N -1.92 6.29 -0.09 1.61 1.01 -0.76 -4.79 116.67 118.03 1aoz s ASP 42 Ca 0.00 1.29 -0.10 0.00 0.71 0.00 0.00 52.55 54.45 1aoz s ASP 42 Cb 0.00 -2.41 -0.05 0.00 1.01 0.00 0.00 42.92 41.48 1aoz s ASP 42 CO 0.00 -0.74 0.24 -0.44 0.21 0.00 0.00 175.17 174.44 1aoz s SER 43 N -4.00 6.52 -0.09 0.27 0.01 -0.86 -1.86 113.70 113.69 1aoz s SER 43 Ca 0.53 0.62 0.01 0.00 1.31 0.00 0.00 55.95 58.42 1aoz s SER 43 Cb -0.11 -2.14 -0.02 0.00 0.21 0.00 0.00 66.02 63.96 1aoz s SER 43 CO 0.48 0.34 -0.11 -0.69 0.41 0.00 0.00 173.24 173.67 1aoz s VAL 44 N -0.81 3.32 -0.13 3.43 1.01 -0.04 -0.91 120.40 126.27 1aoz s VAL 44 Ca 0.18 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 1aoz s VAL 44 Cb -0.14 -2.37 0.03 0.00 0.00 0.00 0.00 36.38 33.90 1aoz s VAL 44 CO 0.07 0.56 -0.08 -0.69 0.00 0.00 0.00 175.10 174.95 1aoz s VAL 45 N -0.25 1.12 -0.24 2.92 1.01 0.43 -1.85 120.40 123.55 1aoz s VAL 45 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1aoz s VAL 45 Cb -0.13 -1.16 0.04 0.00 0.00 0.00 0.00 36.38 35.13 1aoz s VAL 45 CO 0.03 0.33 -0.11 -0.69 0.00 0.00 0.00 175.10 174.66 1aoz s VAL 46 N 1.66 2.45 -0.22 2.92 1.01 -0.43 -0.24 120.40 127.54 1aoz s VAL 46 Ca 0.04 -1.21 -0.09 0.00 0.00 0.00 0.00 61.98 60.71 1aoz s VAL 46 Cb -0.13 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 1aoz s VAL 46 CO -0.08 0.20 0.12 -1.83 0.00 0.00 0.00 175.10 173.51 1aoz s GLU 47 N 1.24 4.01 -0.18 2.72 -1.05 -0.42 -1.12 118.70 123.89 1aoz s GLU 47 Ca -0.02 -0.31 0.00 0.00 -0.15 0.00 0.00 54.97 54.50 1aoz s GLU 47 Cb -0.17 -3.43 0.01 0.00 -0.44 0.00 0.00 34.13 30.11 1aoz s GLU 47 CO -0.07 0.10 -0.18 -1.17 0.95 0.00 0.00 175.26 174.90 1aoz s LEU 48 N 0.90 2.26 -0.17 1.83 2.96 -0.25 -0.98 118.68 125.23 1aoz s LEU 48 Ca 0.06 -0.59 -0.09 0.00 -0.22 0.00 0.00 54.13 53.29 1aoz s LEU 48 Cb -0.13 -1.52 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 1aoz s LEU 48 CO 0.03 0.02 0.13 -0.89 -1.32 0.00 0.00 176.35 174.32 1aoz s THR 49 N 1.20 5.42 -0.32 3.68 2.01 -0.28 -1.23 115.64 126.13 1aoz s THR 49 Ca 0.02 0.19 -0.20 0.00 0.31 0.00 0.00 61.69 62.01 1aoz s THR 49 Cb -0.14 -3.43 -0.01 0.00 0.01 0.00 0.00 72.50 68.93 1aoz s THR 49 CO -0.09 0.51 0.61 0.21 -0.69 0.00 0.00 174.62 175.17 1aoz s ASN 50 N -0.14 6.46 -0.26 3.53 3.04 -0.22 -1.73 114.94 125.62 1aoz s ASN 50 Ca 0.10 0.35 0.10 0.00 0.04 0.00 0.00 52.86 53.44 1aoz s ASN 50 Cb -0.11 -2.32 0.45 0.00 -1.54 0.00 0.00 41.25 37.73 1aoz s ASN 50 CO 0.00 -0.49 1.19 0.29 -3.04 0.00 0.00 177.10 175.06 1aoz n LYS 51 N 5.88 2.88 -3.30 0.43 5.02 0.11 0.14 118.16 129.32 1aoz n LYS 51 Ca -0.02 -3.85 -0.34 0.00 -2.02 0.00 0.00 58.31 52.08 1aoz n LYS 51 Cb 0.49 -2.01 -0.06 0.00 -0.02 0.00 0.00 35.03 33.43 1aoz n LYS 51 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1aoz s LEU 52 N -3.43 4.25 0.05 -0.35 1.43 -1.20 -4.59 118.68 114.84 1aoz s LEU 52 Ca 0.46 1.12 -0.17 0.00 -1.03 0.00 0.00 54.13 54.50 1aoz s LEU 52 Cb 0.39 -3.56 -0.17 0.00 0.03 0.00 0.00 46.19 42.88 1aoz s LEU 52 CO 0.00 -0.01 1.25 0.45 0.23 0.00 0.00 176.35 178.27 1aoz h HIS 53 N 3.05 0.76 0.00 0.29 3.86 -1.95 -3.40 115.15 117.76 1aoz h HIS 53 Ca -0.48 -0.33 0.00 0.00 -1.16 0.00 0.00 60.37 58.40 1aoz h HIS 53 Cb 1.18 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.53 1aoz h HIS 53 CO 0.63 1.11 0.00 0.25 0.86 0.00 0.00 177.93 180.79 1aoz n THR 54 N -4.19 0.00 -4.10 2.45 -2.24 -1.26 -4.87 114.28 100.07 1aoz n THR 54 Ca -0.08 -0.41 -0.36 0.00 -2.27 0.00 0.00 64.05 60.93 1aoz n THR 54 Cb 0.61 1.09 -0.08 0.00 -2.10 0.00 0.00 70.33 69.86 1aoz n THR 54 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1aoz s GLU 55 N -0.43 3.27 0.87 -0.78 2.02 -1.26 -4.91 118.70 117.49 1aoz s GLU 55 Ca 0.00 -0.26 -0.13 0.00 0.02 0.00 0.00 54.97 54.60 1aoz s GLU 55 Cb 0.00 -3.02 0.12 0.00 0.10 0.00 0.00 34.13 31.33 1aoz s GLU 55 CO 0.00 0.72 1.17 0.20 0.02 0.00 0.00 175.26 177.37 1aoz s GLY 56 N -0.89 1.60 0.14 -1.39 0.00 -1.26 -4.06 107.32 101.46 1aoz s GLY 56 Ca 0.14 -0.65 -0.22 0.00 0.00 0.00 0.00 44.72 43.98 1aoz s GLY 56 CO 0.03 -0.10 0.57 0.54 0.00 0.00 0.00 173.10 174.14 1aoz s VAL 57 N -3.47 0.01 0.06 1.40 0.11 -1.10 -4.93 120.40 112.48 1aoz s VAL 57 Ca 0.64 -0.10 -0.17 0.00 -2.93 0.00 0.00 61.98 59.41 1aoz s VAL 57 Cb -0.12 -1.02 0.03 0.00 -1.53 0.00 0.00 36.38 33.74 1aoz s VAL 57 CO 0.51 -0.06 0.40 0.68 -3.33 0.00 0.00 175.10 173.31 1aoz s VAL 58 N -3.53 0.06 -0.08 2.04 -7.23 -1.26 -2.54 120.40 107.86 1aoz s VAL 58 Ca 0.00 -0.50 0.02 0.00 -1.81 0.00 0.00 61.98 59.69 1aoz s VAL 58 Cb -0.00 -1.01 0.01 0.00 0.56 0.00 0.00 36.38 35.94 1aoz s VAL 58 CO -0.11 -0.28 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.65 1aoz s ILE 59 N -2.81 1.20 -0.09 -0.62 1.01 -1.26 -3.57 121.20 115.06 1aoz s ILE 59 Ca -0.03 -0.49 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 1aoz s ILE 59 Cb -0.00 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 1aoz s ILE 59 CO -0.05 0.37 0.06 -2.28 0.00 0.00 0.00 174.94 173.05 1aoz s HIS 60 N 0.82 3.34 -0.53 3.97 5.65 -0.23 -4.05 115.29 124.25 1aoz s HIS 60 Ca -0.11 0.32 -0.12 0.00 0.25 0.00 0.00 55.06 55.40 1aoz s HIS 60 Cb -0.15 -1.84 0.13 0.00 -1.18 0.00 0.00 32.58 29.54 1aoz s HIS 60 CO 0.02 0.58 0.44 -1.58 -0.65 0.00 0.00 174.74 173.55 1aoz s TRP 61 N -0.97 3.39 -0.28 3.88 0.52 -1.25 -1.24 118.94 122.99 1aoz s TRP 61 Ca 0.15 -1.71 -0.29 0.00 0.02 0.00 0.00 56.10 54.26 1aoz s TRP 61 Cb -0.12 -3.62 -0.01 0.00 -1.15 0.00 0.00 33.47 28.58 1aoz s TRP 61 CO 0.04 -1.00 1.38 -1.58 0.02 0.00 0.00 176.95 175.81 1aoz s HIS 62 N 1.28 2.54 0.00 -1.98 2.46 -0.58 -2.51 115.29 116.50 1aoz s HIS 62 Ca 0.06 0.79 0.00 0.00 0.47 0.00 0.00 55.06 56.38 1aoz s HIS 62 Cb -0.26 -3.93 0.00 0.00 -0.13 0.00 0.00 32.58 28.27 1aoz s HIS 62 CO -0.00 -2.02 0.00 0.41 -2.47 0.00 0.00 174.74 170.66 1aoz n GLY 63 N 4.40 0.64 3.76 1.59 0.00 -1.26 -3.64 105.19 110.67 1aoz n GLY 63 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1aoz n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aoz s ILE 64 N -2.00 4.98 -0.06 -0.61 -1.09 -1.04 -4.96 121.20 116.42 1aoz s ILE 64 Ca 0.00 1.16 0.30 0.00 -2.23 0.00 0.00 60.65 59.88 1aoz s ILE 64 Cb 0.00 -3.89 0.36 0.00 -1.58 0.00 0.00 42.46 37.35 1aoz s ILE 64 CO 0.00 0.41 1.86 -0.07 -1.23 0.00 0.00 174.94 175.91 1aoz h LEU 65 N 5.81 0.00 2.32 2.97 3.38 -1.89 -3.40 115.31 124.51 1aoz h LEU 65 Ca -0.45 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.20 1aoz h LEU 65 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1aoz h LEU 65 CO 0.70 0.02 -0.44 0.00 0.09 0.00 0.00 178.44 178.81 1aoz n GLN 66 N -3.11 -2.49 -1.65 1.13 1.13 -1.26 -4.46 117.38 106.67 1aoz n GLN 66 Ca 0.02 0.74 -0.43 0.00 -1.94 0.00 0.00 57.00 55.39 1aoz n GLN 66 Cb 0.38 -5.40 -0.03 0.00 0.11 0.00 0.00 30.24 25.30 1aoz n GLN 66 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1aoz s ARG 67 N -5.21 3.12 0.00 -1.09 3.52 -1.26 -0.49 118.95 117.53 1aoz s ARG 67 Ca 0.07 1.94 0.00 0.00 -0.13 0.00 0.00 55.73 57.61 1aoz s ARG 67 Cb -0.04 -4.36 0.00 0.00 -1.56 0.00 0.00 34.95 28.99 1aoz s ARG 67 CO 0.09 -2.12 0.00 0.41 -0.81 0.00 0.00 175.30 172.87 1aoz n GLY 68 N 5.74 1.51 2.58 8.12 0.00 -1.26 -4.91 105.19 116.97 1aoz n GLY 68 Ca 0.29 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.09 1aoz n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aoz n THR 69 N -2.00 1.55 0.27 2.61 -2.24 0.35 -4.92 114.28 109.90 1aoz n THR 69 Ca 0.00 -5.03 0.13 0.00 -2.27 0.00 0.00 64.05 56.89 1aoz n THR 69 Cb 0.00 -0.81 0.78 0.00 -2.10 0.00 0.00 70.33 68.20 1aoz n THR 69 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1aoz h PRO 70 N 2.97 0.00 0.00 -0.78 0.13 -1.79 -1.89 132.00 130.64 1aoz h PRO 70 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1aoz h PRO 70 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1aoz h PRO 70 CO 0.67 0.08 0.00 -2.67 -0.23 0.00 0.00 178.00 175.85 1aoz n TRP 71 N -3.75 0.00 -0.76 1.56 4.27 -1.26 -3.04 117.44 114.46 1aoz n TRP 71 Ca -0.02 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.67 1aoz n TRP 71 Cb 0.18 -0.49 0.26 0.00 -1.36 0.00 0.00 31.31 29.90 1aoz n TRP 71 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1aoz n ALA 72 N -1.49 2.91 0.16 -1.67 0.00 -0.71 -4.57 120.51 115.15 1aoz n ALA 72 Ca 0.03 -1.93 0.02 0.00 0.00 0.00 0.00 53.44 51.55 1aoz n ALA 72 Cb 0.12 -0.73 0.26 0.00 0.00 0.00 0.00 19.45 19.09 1aoz n ALA 72 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1aoz h ASP 73 N 2.34 0.00 -0.20 0.00 3.58 -1.70 -3.45 116.42 116.98 1aoz h ASP 73 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1aoz h ASP 73 Cb 1.34 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.39 1aoz h ASP 73 CO 0.20 0.50 0.00 0.61 -2.88 0.00 0.00 179.24 177.67 1aoz n GLY 74 N 0.14 0.80 3.12 -0.78 0.00 -1.26 -3.82 105.19 103.39 1aoz n GLY 74 Ca -0.01 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 1aoz n GLY 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1aoz s THR 75 N -2.20 2.48 0.31 2.61 -4.23 -1.26 -3.76 115.64 109.59 1aoz s THR 75 Ca 0.00 -1.41 -0.29 0.00 -1.18 0.00 0.00 61.69 58.81 1aoz s THR 75 Cb 0.00 -2.38 -0.12 0.00 1.34 0.00 0.00 72.50 71.34 1aoz s THR 75 CO 0.00 0.04 1.54 0.00 -0.54 0.00 0.00 174.62 175.66 1aoz n ALA 76 N 4.54 2.32 -0.62 3.99 0.00 -1.09 -1.59 120.51 128.06 1aoz n ALA 76 Ca -0.15 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1aoz n ALA 76 Cb 0.44 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.46 1aoz n ALA 76 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1aoz n SER 77 N 1.65 0.00 0.00 0.00 7.64 0.07 -4.74 113.62 118.24 1aoz n SER 77 Ca 0.07 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.93 1aoz n SER 77 Cb 0.37 -1.21 -0.00 0.00 -1.01 0.00 0.00 64.21 62.35 1aoz n SER 77 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1aoz n ILE 78 N -2.00 0.60 0.04 0.44 5.41 -0.70 -2.26 119.36 120.90 1aoz n ILE 78 Ca 0.00 0.24 -0.12 0.00 1.00 0.00 0.00 62.75 63.87 1aoz n ILE 78 Cb 0.00 -1.48 -0.13 0.00 -0.71 0.00 0.00 39.64 37.32 1aoz n ILE 78 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1aoz h SER 79 N -0.15 0.16 -5.32 4.38 4.64 -1.54 -1.47 113.55 114.24 1aoz h SER 79 Ca 0.00 -0.23 -0.12 0.00 -0.47 0.00 0.00 61.79 60.97 1aoz h SER 79 Cb 0.15 -0.05 -0.12 0.00 -0.31 0.00 0.00 62.40 62.07 1aoz h SER 79 CO 0.00 1.19 -0.36 0.00 -0.87 0.00 0.00 176.83 176.79 1aoz s GLN 80 N -2.64 1.22 0.35 4.77 -2.07 -1.20 -4.67 119.66 115.42 1aoz s GLN 80 Ca -0.05 -1.28 -0.25 0.00 -1.82 0.00 0.00 55.36 51.96 1aoz s GLN 80 Cb 0.08 0.37 -0.10 0.00 -1.09 0.00 0.00 33.01 32.27 1aoz s GLN 80 CO 0.83 -0.45 1.00 0.00 -1.32 0.00 0.00 175.29 175.36 1aoz s ALA 82 N -1.61 1.79 -0.15 0.00 0.00 -1.26 -4.69 121.76 115.85 1aoz s ALA 82 Ca 0.53 0.50 -0.22 0.00 0.00 0.00 0.00 51.96 52.77 1aoz s ALA 82 Cb -0.21 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 1aoz s ALA 82 CO 0.26 -2.35 0.68 0.42 0.00 0.00 0.00 175.76 174.78 1aoz s ILE 83 N -2.69 5.01 0.61 0.00 1.01 -1.05 -4.89 121.20 119.18 1aoz s ILE 83 Ca 0.65 1.34 -0.15 0.00 0.00 0.00 0.00 60.65 62.49 1aoz s ILE 83 Cb -0.21 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.22 1aoz s ILE 83 CO 0.56 0.14 1.06 0.20 0.00 0.00 0.00 174.94 176.91 1aoz s ASN 84 N 1.05 5.68 0.17 3.58 0.01 -1.26 -2.72 114.94 121.44 1aoz s ASN 84 Ca 0.33 1.82 -0.33 0.00 -0.71 0.00 0.00 52.86 53.96 1aoz s ASN 84 Cb -0.16 -2.53 -0.15 0.00 0.41 0.00 0.00 41.25 38.81 1aoz s ASN 84 CO 0.13 -1.24 1.27 -2.65 -1.51 0.00 0.00 177.10 173.10 1aoz n PRO 85 N -2.17 1.39 -0.93 -0.60 -0.02 -1.26 -2.00 135.00 129.41 1aoz n PRO 85 Ca 0.09 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1aoz n PRO 85 Cb 0.53 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1aoz n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aoz n GLY 86 N 2.24 0.77 3.82 -1.23 0.00 0.12 -5.01 105.19 105.90 1aoz n GLY 86 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1aoz n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aoz s GLU 87 N -0.07 2.74 -0.10 1.61 2.02 -0.85 -4.85 118.70 119.21 1aoz s GLU 87 Ca 0.00 -1.23 0.01 0.00 0.02 0.00 0.00 54.97 53.77 1aoz s GLU 87 Cb 0.00 -2.46 0.02 0.00 0.10 0.00 0.00 34.13 31.78 1aoz s GLU 87 CO 0.00 0.23 -0.13 0.99 0.02 0.00 0.00 175.26 176.37 1aoz s THR 88 N -2.25 1.33 0.04 3.63 2.01 -1.26 -1.06 115.64 118.08 1aoz s THR 88 Ca 0.37 -0.54 0.09 0.00 0.31 0.00 0.00 61.69 61.92 1aoz s THR 88 Cb -0.06 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 1aoz s THR 88 CO 0.25 0.41 -0.26 0.12 -0.69 0.00 0.00 174.62 174.45 1aoz s PHE 89 N 1.09 2.34 -0.24 4.92 5.36 -0.36 -4.93 117.98 126.15 1aoz s PHE 89 Ca -0.05 -0.41 -0.09 0.00 -0.96 0.00 0.00 56.93 55.42 1aoz s PHE 89 Cb -0.14 -1.41 -0.04 0.00 -0.34 0.00 0.00 43.02 41.08 1aoz s PHE 89 CO -0.02 0.12 0.13 -0.06 -1.46 0.00 0.00 175.22 173.93 1aoz s PHE 90 N -0.79 3.23 -0.32 10.12 0.08 -1.26 -1.09 117.98 127.95 1aoz s PHE 90 Ca 0.12 0.04 -0.08 0.00 0.12 0.00 0.00 56.93 57.13 1aoz s PHE 90 Cb -0.10 -2.26 0.02 0.00 -0.57 0.00 0.00 43.02 40.11 1aoz s PHE 90 CO 0.02 -0.07 0.11 0.71 -0.10 0.00 0.00 175.22 175.89 1aoz s TYR 91 N 1.25 3.19 -0.16 0.36 2.02 -0.28 -4.96 117.35 118.78 1aoz s TYR 91 Ca 0.06 -1.07 0.01 0.00 -0.37 0.00 0.00 57.07 55.70 1aoz s TYR 91 Cb -0.14 -2.30 0.02 0.00 -0.40 0.00 0.00 41.96 39.14 1aoz s TYR 91 CO 0.05 -0.62 -0.15 -0.80 -1.57 0.00 0.00 175.55 172.46 1aoz s ASN 92 N 1.49 2.82 0.21 2.29 0.01 -1.26 -1.32 114.94 119.18 1aoz s ASN 92 Ca 0.01 -0.54 -0.10 0.00 -0.71 0.00 0.00 52.86 51.52 1aoz s ASN 92 Cb -0.18 -1.26 -0.01 0.00 0.41 0.00 0.00 41.25 40.22 1aoz s ASN 92 CO 0.03 -0.05 0.37 0.72 -1.51 0.00 0.00 177.10 176.66 1aoz s PHE 93 N 1.43 0.45 0.09 2.20 -0.12 -0.77 -4.93 117.98 116.33 1aoz s PHE 93 Ca 0.05 -0.79 0.04 0.00 -0.05 0.00 0.00 56.93 56.17 1aoz s PHE 93 Cb -0.13 0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.24 1aoz s PHE 93 CO -0.11 -0.84 0.06 0.99 -0.05 0.00 0.00 175.22 175.27 1aoz s THR 94 N -4.01 4.40 -0.25 -4.49 2.01 -1.26 -0.86 115.64 111.18 1aoz s THR 94 Ca 0.22 -0.86 -0.08 0.00 0.31 0.00 0.00 61.69 61.29 1aoz s THR 94 Cb 0.02 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 1aoz s THR 94 CO 0.05 0.10 0.08 0.68 -0.69 0.00 0.00 174.62 174.84 1aoz s VAL 95 N -1.41 4.44 -0.08 3.82 -7.23 -0.77 -4.81 120.40 114.35 1aoz s VAL 95 Ca 0.29 -0.13 0.09 0.00 -1.81 0.00 0.00 61.98 60.41 1aoz s VAL 95 Cb -0.12 -3.07 -0.24 0.00 0.56 0.00 0.00 36.38 33.51 1aoz s VAL 95 CO 0.21 0.34 0.51 0.47 -0.31 0.00 0.00 175.10 176.31 1aoz n ASP 96 N 4.86 1.07 -3.87 4.85 8.00 -1.26 -0.66 116.55 129.53 1aoz n ASP 96 Ca -0.16 0.31 -0.11 0.00 0.71 0.00 0.00 54.79 55.54 1aoz n ASP 96 Cb 0.52 -0.12 -0.10 0.00 -0.02 0.00 0.00 41.12 41.39 1aoz n ASP 96 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1aoz s ASN 97 N -6.23 0.02 0.69 -2.24 4.22 -1.26 -4.48 114.94 105.66 1aoz s ASN 97 Ca -0.10 -0.16 -0.14 0.00 -2.14 0.00 0.00 52.86 50.32 1aoz s ASN 97 Cb 0.07 0.21 0.02 0.00 1.28 0.00 0.00 41.25 42.83 1aoz s ASN 97 CO 0.81 -0.32 1.12 -2.16 -2.04 0.00 0.00 177.10 174.50 1aoz s PRO 98 N -1.20 2.61 0.00 3.55 0.04 -1.26 -4.83 135.00 133.91 1aoz s PRO 98 Ca -0.13 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1aoz s PRO 98 Cb -0.07 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1aoz s PRO 98 CO 0.01 -1.40 0.00 0.41 0.04 0.00 0.00 177.00 176.06 1aoz n GLY 99 N -0.53 1.96 3.60 0.56 0.00 -0.65 -4.57 105.19 105.55 1aoz n GLY 99 Ca 0.10 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 1aoz n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aoz s THR 100 N -1.92 4.92 0.17 2.61 2.01 -1.26 -1.79 115.64 120.38 1aoz s THR 100 Ca 0.00 0.91 0.01 0.00 0.31 0.00 0.00 61.69 62.93 1aoz s THR 100 Cb 0.00 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.49 1aoz s THR 100 CO 0.00 -0.15 0.05 0.49 -0.69 0.00 0.00 174.62 174.32 1aoz n PHE 101 N 5.91 0.13 -3.83 4.92 3.72 -0.56 -4.30 117.46 123.45 1aoz n PHE 101 Ca -0.00 -1.04 -0.08 0.00 -0.05 0.00 0.00 57.45 56.28 1aoz n PHE 101 Cb 0.49 -0.02 0.01 0.00 -0.94 0.00 0.00 39.48 39.01 1aoz n PHE 101 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 1aoz s PHE 102 N -2.08 0.01 0.11 1.38 -0.71 -1.24 -2.56 117.98 112.89 1aoz s PHE 102 Ca 0.07 -0.59 0.03 0.00 -1.04 0.00 0.00 56.93 55.41 1aoz s PHE 102 Cb 0.00 0.78 -0.04 0.00 -1.21 0.00 0.00 43.02 42.56 1aoz s PHE 102 CO 0.05 -1.39 -0.09 1.52 -1.34 0.00 0.00 175.22 173.96 1aoz s TYR 103 N -2.84 1.07 0.17 3.49 -0.85 -0.09 -1.53 117.35 116.76 1aoz s TYR 103 Ca 0.14 -0.72 -0.23 0.00 -0.52 0.00 0.00 57.07 55.75 1aoz s TYR 103 Cb -0.05 -0.58 0.07 0.00 0.38 0.00 0.00 41.96 41.78 1aoz s TYR 103 CO 0.09 -0.01 0.63 -3.38 -1.52 0.00 0.00 175.55 171.36 1aoz s HIS 104 N -2.80 -0.48 0.37 -3.49 -3.43 -0.37 -1.81 115.29 103.27 1aoz s HIS 104 Ca 0.08 0.25 -0.27 0.00 -0.80 0.00 0.00 55.06 54.32 1aoz s HIS 104 Cb -0.01 0.58 -0.10 0.00 -1.43 0.00 0.00 32.58 31.63 1aoz s HIS 104 CO -0.01 -0.88 1.31 0.20 -2.00 0.00 0.00 174.74 173.36 1aoz s GLY 105 N -2.76 2.96 -0.37 -1.38 0.00 -0.13 -1.07 107.32 104.58 1aoz s GLY 105 Ca 0.03 1.26 0.13 0.00 0.00 0.00 0.00 44.72 46.13 1aoz s GLY 105 CO -0.10 1.88 1.02 1.57 0.00 0.00 0.00 173.10 177.48 1aoz n HIS 106 N 0.49 2.10 -3.68 1.90 -0.00 -1.23 -4.14 115.22 110.65 1aoz n HIS 106 Ca 0.02 -2.89 -0.18 0.00 0.46 0.00 0.00 57.72 55.12 1aoz n HIS 106 Cb 0.42 -0.25 -0.17 0.00 -0.12 0.00 0.00 29.99 29.87 1aoz n HIS 106 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 1aoz s LEU 107 N -3.32 0.20 0.00 0.27 2.96 -1.26 -2.66 118.68 114.87 1aoz s LEU 107 Ca 0.36 0.15 0.00 0.00 -0.22 0.00 0.00 54.13 54.42 1aoz s LEU 107 Cb 0.43 -0.00 0.00 0.00 0.50 0.00 0.00 46.19 47.12 1aoz s LEU 107 CO -0.05 -0.23 0.00 0.61 -1.32 0.00 0.00 176.35 175.35 1aoz n GLY 108 N 5.15 1.70 2.18 7.98 0.00 -1.26 -2.45 105.19 118.50 1aoz n GLY 108 Ca -0.07 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 1aoz n GLY 108 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1aoz n MET 109 N 4.80 2.56 0.07 1.61 2.81 -1.26 -4.66 117.12 123.04 1aoz n MET 109 Ca 0.00 -3.27 0.05 0.00 -1.81 0.00 0.00 57.70 52.68 1aoz n MET 109 Cb 0.00 -2.22 0.48 0.00 -0.71 0.00 0.00 33.22 30.78 1aoz n MET 109 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1aoz h GLN 110 N 1.62 0.40 -0.39 0.03 4.20 -1.81 -2.81 115.11 116.35 1aoz h GLN 110 Ca 0.57 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 59.16 1aoz h GLN 110 Cb 1.59 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 29.26 1aoz h GLN 110 CO 1.28 0.26 -0.14 0.07 -0.67 0.00 0.00 178.83 179.64 1aoz h ARG 111 N 0.41 0.70 0.00 1.46 0.11 -1.82 -1.95 114.38 113.29 1aoz h ARG 111 Ca 0.11 -0.23 -0.01 0.00 0.10 0.00 0.00 59.98 59.95 1aoz h ARG 111 Cb -0.03 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 30.99 1aoz h ARG 111 CO -0.02 0.81 -0.03 0.77 0.10 0.00 0.00 179.97 181.60 1aoz h SER 112 N 0.63 0.00 -0.10 0.08 0.02 -1.85 -1.41 113.55 110.92 1aoz h SER 112 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1aoz h SER 112 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1aoz h SER 112 CO 0.04 0.03 0.00 0.00 -1.14 0.00 0.00 176.83 175.76 1aoz n ALA 113 N -2.19 2.51 0.00 3.77 0.00 -0.73 -4.86 120.51 119.01 1aoz n ALA 113 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1aoz n ALA 113 Cb 0.13 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1aoz n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aoz n GLY 114 N 0.76 0.94 3.57 0.00 0.00 -0.53 -0.83 105.19 109.09 1aoz n GLY 114 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1aoz n GLY 114 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1aoz s LEU 115 N 0.00 3.60 0.22 0.99 2.96 -1.22 -4.69 118.68 120.55 1aoz s LEU 115 Ca 0.00 -1.81 -0.20 0.00 -0.22 0.00 0.00 54.13 51.90 1aoz s LEU 115 Cb 0.00 -2.57 0.04 0.00 0.50 0.00 0.00 46.19 44.15 1aoz s LEU 115 CO 0.00 -1.47 0.63 -0.72 -1.32 0.00 0.00 176.35 173.46 1aoz s TYR 116 N 5.07 -0.26 0.01 5.38 -0.85 -1.26 -0.96 117.35 124.48 1aoz s TYR 116 Ca 0.51 -0.10 -0.28 0.00 -0.52 0.00 0.00 57.07 56.68 1aoz s TYR 116 Cb 0.01 0.57 0.10 0.00 0.38 0.00 0.00 41.96 43.02 1aoz s TYR 116 CO -0.02 -1.03 1.26 0.20 -1.52 0.00 0.00 175.55 174.43 1aoz s GLY 117 N -2.86 -0.14 0.11 5.49 0.00 -0.75 -1.69 107.32 107.48 1aoz s GLY 117 Ca 0.08 0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.88 1aoz s GLY 117 CO -0.01 4.51 0.26 -0.56 0.00 0.00 0.00 173.10 177.30 1aoz s SER 118 N -3.65 6.37 -0.14 1.64 0.01 -1.26 -0.92 113.70 115.75 1aoz s SER 118 Ca 0.26 0.28 -0.04 0.00 1.31 0.00 0.00 55.95 57.77 1aoz s SER 118 Cb -0.00 -1.96 0.05 0.00 0.21 0.00 0.00 66.02 64.32 1aoz s SER 118 CO -0.00 0.10 0.06 -0.22 0.41 0.00 0.00 173.24 173.59 1aoz s LEU 119 N -2.82 0.55 -0.03 2.44 0.20 -1.06 -1.51 118.68 116.45 1aoz s LEU 119 Ca 0.36 -0.48 0.07 0.00 0.69 0.00 0.00 54.13 54.77 1aoz s LEU 119 Cb -0.12 -0.34 -0.02 0.00 -0.43 0.00 0.00 46.19 45.29 1aoz s LEU 119 CO 0.28 -0.30 -0.25 -0.63 -0.29 0.00 0.00 176.35 175.16 1aoz s ILE 120 N 2.05 2.00 -0.06 6.68 1.01 0.11 -1.50 121.20 131.49 1aoz s ILE 120 Ca 0.02 -1.07 0.05 0.00 0.00 0.00 0.00 60.65 59.65 1aoz s ILE 120 Cb -0.15 -1.67 -0.00 0.00 0.01 0.00 0.00 42.46 40.65 1aoz s ILE 120 CO -0.07 0.56 -0.22 -0.69 0.00 0.00 0.00 174.94 174.52 1aoz s VAL 121 N -0.48 1.83 0.36 2.92 1.01 -0.74 -1.47 120.40 123.83 1aoz s VAL 121 Ca 0.06 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 61.18 1aoz s VAL 121 Cb -0.11 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 1aoz s VAL 121 CO 0.00 0.51 0.50 -1.81 0.00 0.00 0.00 175.10 174.30 1aoz s ASP 122 N 0.06 5.91 0.86 3.32 1.01 -0.07 -1.64 116.67 126.12 1aoz s ASP 122 Ca -0.08 -0.19 -0.15 0.00 0.71 0.00 0.00 52.55 52.83 1aoz s ASP 122 Cb -0.14 -1.16 -0.05 0.00 1.01 0.00 0.00 42.92 42.58 1aoz s ASP 122 CO 0.04 -0.51 0.07 -0.81 0.21 0.00 0.00 175.17 174.18 1aoz n PRO 123 N -1.70 -0.02 -1.52 8.23 -0.04 -1.26 -0.84 135.00 137.84 1aoz n PRO 123 Ca 0.01 0.03 -0.41 0.00 -0.04 0.00 0.00 63.50 63.09 1aoz n PRO 123 Cb 0.58 -1.55 0.02 0.00 -0.04 0.00 0.00 33.50 32.51 1aoz n PRO 123 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1aoz n PRO 124 N -0.02 0.85 -1.68 0.54 -0.02 -1.26 -3.82 135.00 129.60 1aoz n PRO 124 Ca 0.05 0.31 -0.48 0.00 -2.02 0.00 0.00 63.50 61.37 1aoz n PRO 124 Cb 0.53 -1.78 -0.05 0.00 -0.02 0.00 0.00 33.50 32.18 1aoz n PRO 124 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1aoz n GLN 125 N 0.20 2.18 0.00 -0.52 7.27 -1.26 -1.01 117.38 124.24 1aoz n GLN 125 Ca 0.11 0.80 0.00 0.00 0.07 0.00 0.00 57.00 57.98 1aoz n GLN 125 Cb 0.41 -2.63 0.00 0.00 2.41 0.00 0.00 30.24 30.43 1aoz n GLN 125 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1aoz n GLY 126 N 4.27 2.70 3.90 1.69 0.00 -1.26 -5.04 105.19 111.45 1aoz n GLY 126 Ca 0.22 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 1aoz n GLY 126 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1aoz s LYS 127 N 0.00 2.82 0.23 1.61 2.20 -0.18 -5.09 119.74 121.33 1aoz s LYS 127 Ca 0.00 0.25 0.02 0.00 -0.36 0.00 0.00 55.97 55.88 1aoz s LYS 127 Cb 0.00 -2.12 -0.05 0.00 -1.51 0.00 0.00 37.83 34.15 1aoz s LYS 127 CO 0.00 -0.94 0.04 0.15 -0.36 0.00 0.00 175.35 174.24 1aoz s LYS 128 N -5.23 1.30 0.44 4.03 1.02 -1.26 -4.75 119.74 115.30 1aoz s LYS 128 Ca 0.57 -1.67 -0.23 0.00 0.02 0.00 0.00 55.97 54.66 1aoz s LYS 128 Cb -0.11 -0.36 -0.08 0.00 -0.52 0.00 0.00 37.83 36.77 1aoz s LYS 128 CO 0.49 -0.20 1.10 -2.00 -0.92 0.00 0.00 175.35 173.82 1aoz s GLU 129 N -3.95 3.90 0.38 1.68 2.56 -1.26 -4.95 118.70 117.06 1aoz s GLU 129 Ca 0.31 1.60 0.26 0.00 0.00 0.00 0.00 54.97 57.14 1aoz s GLU 129 Cb 0.07 -2.39 1.40 0.00 2.00 0.00 0.00 34.13 35.21 1aoz s GLU 129 CO 0.09 -0.39 1.79 -1.00 -0.56 0.00 0.00 175.26 175.20 1aoz h PRO 130 N 2.10 0.00 -6.04 4.30 0.13 -2.03 -3.43 132.00 127.04 1aoz h PRO 130 Ca -0.49 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.10 1aoz h PRO 130 Cb 1.23 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.14 1aoz h PRO 130 CO 0.61 0.00 -0.82 -0.59 -0.23 0.00 0.00 178.00 176.96 1aoz s PHE 131 N -3.65 1.72 -0.08 1.56 -0.12 -1.26 -5.13 117.98 111.01 1aoz s PHE 131 Ca -0.03 -0.41 -0.10 0.00 -0.05 0.00 0.00 56.93 56.34 1aoz s PHE 131 Cb 0.08 -0.96 -0.05 0.00 -0.63 0.00 0.00 43.02 41.46 1aoz s PHE 131 CO 0.24 0.17 0.25 -1.58 -0.05 0.00 0.00 175.22 174.25 1aoz s HIS 132 N -1.10 3.64 0.10 3.49 5.65 -1.26 -5.08 115.29 120.73 1aoz s HIS 132 Ca 0.06 0.71 -0.11 0.00 0.25 0.00 0.00 55.06 55.97 1aoz s HIS 132 Cb -0.10 -2.10 0.01 0.00 -1.18 0.00 0.00 32.58 29.21 1aoz s HIS 132 CO 0.04 0.67 0.26 1.52 -0.65 0.00 0.00 174.74 176.57 1aoz s TYR 133 N -0.95 0.05 -0.19 3.88 1.13 -1.26 -4.93 117.35 115.07 1aoz s TYR 133 Ca 0.18 -0.45 -0.01 0.00 -1.41 0.00 0.00 57.07 55.39 1aoz s TYR 133 Cb -0.14 0.04 -0.22 0.00 -1.10 0.00 0.00 41.96 40.54 1aoz s TYR 133 CO 0.08 -0.60 0.07 -0.25 -2.51 0.00 0.00 175.55 172.34 1aoz n ASP 134 N -0.11 1.92 -3.79 -0.18 8.00 0.06 -5.01 116.55 117.44 1aoz n ASP 134 Ca -0.15 0.04 -0.18 0.00 0.71 0.00 0.00 54.79 55.20 1aoz n ASP 134 Cb 0.63 -0.54 -0.09 0.00 -0.02 0.00 0.00 41.12 41.10 1aoz n ASP 134 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1aoz s GLY 135 N -6.03 2.11 0.01 0.44 0.00 -1.17 -5.06 107.32 97.62 1aoz s GLY 135 Ca -0.27 -1.83 0.01 0.00 0.00 0.00 0.00 44.72 42.63 1aoz s GLY 135 CO 0.69 -1.53 -0.04 1.85 0.00 0.00 0.00 173.10 174.07 1aoz s GLU 136 N -3.72 0.34 -0.07 2.90 2.12 -1.26 -1.28 118.70 117.72 1aoz s GLU 136 Ca 0.37 -0.35 0.02 0.00 0.36 0.00 0.00 54.97 55.37 1aoz s GLU 136 Cb 0.04 -0.22 0.01 0.00 0.26 0.00 0.00 34.13 34.23 1aoz s GLU 136 CO 0.20 0.05 -0.12 0.42 -0.54 0.00 0.00 175.26 175.27 1aoz s ILE 137 N -0.61 1.13 -0.12 -3.70 1.01 0.00 -4.92 121.20 114.00 1aoz s ILE 137 Ca -0.04 -0.46 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 1aoz s ILE 137 Cb -0.05 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.34 1aoz s ILE 137 CO -0.00 0.36 0.00 0.21 0.00 0.00 0.00 174.94 175.51 1aoz s ASN 138 N 0.82 5.22 -0.03 3.58 3.04 -1.26 -1.35 114.94 124.96 1aoz s ASN 138 Ca -0.11 0.08 -0.01 0.00 0.04 0.00 0.00 52.86 52.86 1aoz s ASN 138 Cb -0.15 -1.62 0.03 0.00 -1.54 0.00 0.00 41.25 37.97 1aoz s ASN 138 CO 0.02 0.30 0.03 -0.22 -3.04 0.00 0.00 177.10 174.20 1aoz s LEU 139 N -0.44 0.69 -0.18 3.21 2.96 -0.07 -4.96 118.68 119.90 1aoz s LEU 139 Ca 0.08 0.04 -0.03 0.00 -0.22 0.00 0.00 54.13 54.00 1aoz s LEU 139 Cb -0.12 -0.15 -0.01 0.00 0.50 0.00 0.00 46.19 46.41 1aoz s LEU 139 CO 0.02 -0.18 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.58 1aoz s LEU 140 N 1.56 2.88 -0.11 -0.68 2.96 -1.26 -1.55 118.68 122.48 1aoz s LEU 140 Ca -0.03 -0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 53.50 1aoz s LEU 140 Cb -0.13 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 1aoz s LEU 140 CO -0.03 0.07 0.09 -0.76 -1.32 0.00 0.00 176.35 174.40 1aoz s LEU 141 N 0.95 4.10 0.00 -0.68 1.43 -0.09 -1.02 118.68 123.37 1aoz s LEU 141 Ca -0.01 0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 53.38 1aoz s LEU 141 Cb -0.15 -1.98 0.03 0.00 0.03 0.00 0.00 46.19 44.12 1aoz s LEU 141 CO 0.00 0.39 0.47 -1.54 0.23 0.00 0.00 176.35 175.90 1aoz n SER 142 N 2.10 -1.34 -4.16 2.29 3.41 -0.93 -1.42 113.62 113.57 1aoz n SER 142 Ca -0.19 -2.25 -0.10 0.00 -0.26 0.00 0.00 58.87 56.07 1aoz n SER 142 Cb 0.54 2.32 -0.10 0.00 -0.26 0.00 0.00 64.21 66.72 1aoz n SER 142 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1aoz s ASP 143 N -2.52 0.97 -0.02 4.04 1.47 -1.26 -1.03 116.67 118.32 1aoz s ASP 143 Ca 0.16 -1.04 0.01 0.00 1.18 0.00 0.00 52.55 52.86 1aoz s ASP 143 Cb -0.02 0.13 0.01 0.00 -0.34 0.00 0.00 42.92 42.70 1aoz s ASP 143 CO 0.12 -0.52 -0.04 0.86 0.68 0.00 0.00 175.17 176.26 1aoz s TRP 144 N -3.72 0.53 0.10 2.11 -0.11 -0.13 -4.83 118.94 112.89 1aoz s TRP 144 Ca 0.13 -0.11 0.06 0.00 1.22 0.00 0.00 56.10 57.41 1aoz s TRP 144 Cb 0.06 -0.42 -0.04 0.00 -1.50 0.00 0.00 33.47 31.57 1aoz s TRP 144 CO -0.04 -0.08 -0.03 -1.58 -4.62 0.00 0.00 176.95 170.60 1aoz s TRP 145 N 0.34 2.90 -0.92 5.86 0.51 -1.26 -1.07 118.94 125.30 1aoz s TRP 145 Ca -0.04 -0.08 0.26 0.00 -2.12 0.00 0.00 56.10 54.13 1aoz s TRP 145 Cb -0.07 -1.49 0.70 0.00 -0.81 0.00 0.00 33.47 31.80 1aoz s TRP 145 CO -0.00 0.47 1.56 0.72 -0.51 0.00 0.00 176.95 179.19 1aoz n HIS 146 N 0.54 0.15 -3.15 -1.98 8.25 -1.26 -4.87 115.22 112.90 1aoz n HIS 146 Ca -0.11 0.04 -0.34 0.00 -0.26 0.00 0.00 57.72 57.05 1aoz n HIS 146 Cb 0.52 -0.43 -0.06 0.00 1.12 0.00 0.00 29.99 31.14 1aoz n HIS 146 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1aoz s GLN 147 N -3.03 4.09 0.34 -0.41 0.74 -1.26 -5.02 119.66 115.11 1aoz s GLN 147 Ca 0.11 0.72 -0.27 0.00 0.05 0.00 0.00 55.36 55.96 1aoz s GLN 147 Cb 0.17 -2.66 -0.12 0.00 1.10 0.00 0.00 33.01 31.49 1aoz s GLN 147 CO 0.65 0.29 1.19 0.45 -0.55 0.00 0.00 175.29 177.31 1aoz n SER 148 N 0.17 2.22 0.24 6.67 2.88 -1.26 -4.88 113.62 119.66 1aoz n SER 148 Ca 0.00 1.18 0.12 0.00 -1.33 0.00 0.00 58.87 58.85 1aoz n SER 148 Cb 0.52 -1.42 0.45 0.00 -0.75 0.00 0.00 64.21 63.01 1aoz n SER 148 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1aoz h ILE 149 N 2.27 0.27 0.01 2.46 5.03 -1.95 -0.49 117.51 125.12 1aoz h ILE 149 Ca -0.44 -0.96 -0.20 0.00 -0.12 0.00 0.00 64.86 63.14 1aoz h ILE 149 Cb 1.30 1.77 -0.02 0.00 -3.03 0.00 0.00 36.82 36.85 1aoz h ILE 149 CO 0.61 0.12 -0.90 0.45 -0.68 0.00 0.00 178.15 177.75 1aoz h HIS 150 N 0.00 0.21 0.02 1.37 3.86 -1.97 0.02 115.15 118.66 1aoz h HIS 150 Ca -0.00 -0.12 -0.24 0.00 -1.16 0.00 0.00 60.37 58.85 1aoz h HIS 150 Cb 0.76 -0.02 0.01 0.00 1.06 0.00 0.00 27.41 29.22 1aoz h HIS 150 CO 0.00 0.96 -1.00 0.87 0.86 0.00 0.00 177.93 179.63 1aoz h LYS 151 N 0.07 0.43 -0.55 2.45 1.57 -1.87 -2.84 116.57 115.83 1aoz h LYS 151 Ca -0.04 -0.49 0.05 0.00 -1.87 0.00 0.00 60.65 58.30 1aoz h LYS 151 Cb 1.55 0.15 -0.05 0.00 0.08 0.00 0.00 32.23 33.96 1aoz h LYS 151 CO 0.13 1.15 0.28 1.96 -0.57 0.00 0.00 179.45 182.40 1aoz h GLN 152 N 0.23 0.52 -0.64 3.15 4.20 -0.89 -0.17 115.11 121.49 1aoz h GLN 152 Ca -0.09 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1aoz h GLN 152 Cb 1.65 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 29.28 1aoz h GLN 152 CO 0.17 0.34 0.41 0.93 -0.67 0.00 0.00 178.83 180.02 1aoz h GLU 153 N 0.53 0.86 -0.10 1.46 5.08 -1.05 -1.53 114.58 119.83 1aoz h GLU 153 Ca 0.25 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1aoz h GLU 153 Cb 0.17 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1aoz h GLU 153 CO -0.18 0.58 -0.02 0.28 -1.00 0.00 0.00 179.01 178.68 1aoz h VAL 154 N 0.87 1.28 -0.61 3.13 2.07 -1.22 -3.07 116.25 118.71 1aoz h VAL 154 Ca 0.23 -0.91 0.03 0.00 0.82 0.00 0.00 66.70 66.87 1aoz h VAL 154 Cb -0.08 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1aoz h VAL 154 CO -0.05 0.26 0.40 1.23 0.02 0.00 0.00 177.57 179.43 1aoz h GLY 155 N -0.12 0.82 2.00 2.17 0.00 -0.81 0.80 103.07 107.93 1aoz h GLY 155 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1aoz h GLY 155 CO 0.01 0.25 0.00 1.04 0.00 0.00 0.00 176.54 177.84 1aoz n LEU 156 N -4.46 0.44 -0.94 3.11 4.77 -0.60 -0.80 117.00 118.53 1aoz n LEU 156 Ca 0.07 0.59 0.09 0.00 -0.03 0.00 0.00 56.01 56.72 1aoz n LEU 156 Cb 0.12 -0.50 0.27 0.00 -2.33 0.00 0.00 43.42 40.98 1aoz n LEU 156 CO 0.35 -0.34 0.72 -1.20 -1.33 0.00 0.00 177.39 175.58 1aoz n SER 157 N -1.96 3.97 -4.83 -1.43 7.64 0.25 -4.88 113.62 112.38 1aoz n SER 157 Ca 0.04 -3.00 -0.22 0.00 1.01 0.00 0.00 58.87 56.70 1aoz n SER 157 Cb 0.26 -0.55 -0.04 0.00 -1.01 0.00 0.00 64.21 62.87 1aoz n SER 157 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1aoz s SER 158 N -1.86 5.56 -0.13 6.43 0.01 -1.08 -5.05 113.70 117.57 1aoz s SER 158 Ca 0.43 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.46 1aoz s SER 158 Cb 0.34 -1.43 -0.01 0.00 0.21 0.00 0.00 66.02 65.13 1aoz s SER 158 CO 0.09 -0.03 -0.14 -0.54 0.41 0.00 0.00 173.24 173.02 1aoz s LYS 159 N -3.82 3.32 0.55 12.44 1.02 -1.26 -2.36 119.74 129.63 1aoz s LYS 159 Ca 0.33 -0.72 -0.21 0.00 0.02 0.00 0.00 55.97 55.39 1aoz s LYS 159 Cb -0.08 -2.61 -0.05 0.00 -0.52 0.00 0.00 37.83 34.57 1aoz s LYS 159 CO 0.25 0.16 1.18 -0.35 -0.92 0.00 0.00 175.35 175.67 1aoz n PRO 160 N 3.67 1.35 -1.95 -1.68 -0.04 -1.26 -5.08 135.00 130.00 1aoz n PRO 160 Ca -0.18 0.50 -0.37 0.00 -0.04 0.00 0.00 63.50 63.41 1aoz n PRO 160 Cb 0.52 -2.37 0.04 0.00 -0.04 0.00 0.00 33.50 31.65 1aoz n PRO 160 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1aoz s ILE 161 N -1.36 2.48 -0.32 0.52 2.07 -0.99 -5.00 121.20 118.59 1aoz s ILE 161 Ca 0.73 0.31 0.03 0.00 -1.41 0.00 0.00 60.65 60.30 1aoz s ILE 161 Cb -0.43 -3.13 0.08 0.00 0.13 0.00 0.00 42.46 39.11 1aoz s ILE 161 CO 0.49 -0.05 0.01 -0.13 -1.91 0.00 0.00 174.94 173.34 1aoz s ARG 162 N -3.23 1.82 0.54 3.50 0.52 0.02 -5.02 118.95 117.10 1aoz s ARG 162 Ca 0.77 -1.67 -0.20 0.00 -0.52 0.00 0.00 55.73 54.11 1aoz s ARG 162 Cb -0.33 -3.13 -0.06 0.00 0.52 0.00 0.00 34.95 31.95 1aoz s ARG 162 CO 0.36 -0.81 1.14 -0.46 0.02 0.00 0.00 175.30 175.55 1aoz s TRP 163 N 1.00 2.65 0.23 -0.53 -0.00 -1.26 -3.72 118.94 117.32 1aoz s TRP 163 Ca 0.03 1.54 0.32 0.00 -0.00 0.00 0.00 56.10 57.99 1aoz s TRP 163 Cb -0.20 -3.32 1.43 0.00 -0.00 0.00 0.00 33.47 31.38 1aoz s TRP 163 CO -0.06 -1.65 2.02 -0.84 -0.00 0.00 0.00 176.95 176.42 1aoz h ILE 164 N 1.21 0.21 0.00 5.86 3.07 -1.96 -3.49 117.51 122.41 1aoz h ILE 164 Ca -0.50 -0.58 0.00 0.00 1.55 0.00 0.00 64.86 65.33 1aoz h ILE 164 Cb 1.27 1.47 0.00 0.00 -0.27 0.00 0.00 36.82 39.29 1aoz h ILE 164 CO 0.57 0.07 0.00 0.61 -1.05 0.00 0.00 178.15 178.35 1aoz n GLY 165 N -0.20 -1.93 3.76 0.16 0.00 -1.26 -4.85 105.19 100.87 1aoz n GLY 165 Ca -0.00 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 44.13 1aoz n GLY 165 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aoz s GLU 166 N -2.11 3.47 0.89 1.61 0.41 -1.26 -4.99 118.70 116.72 1aoz s GLU 166 Ca 0.00 1.96 -0.11 0.00 -0.41 0.00 0.00 54.97 56.41 1aoz s GLU 166 Cb 0.00 -2.32 0.13 0.00 -1.78 0.00 0.00 34.13 30.16 1aoz s GLU 166 CO 0.00 -0.84 1.11 -1.25 -0.49 0.00 0.00 175.26 173.79 1aoz s PRO 167 N -2.82 1.23 0.04 0.39 0.04 -1.26 -4.96 135.00 127.66 1aoz s PRO 167 Ca 0.68 1.25 0.05 0.00 0.04 0.00 0.00 61.00 63.02 1aoz s PRO 167 Cb -0.33 -1.77 -0.24 0.00 0.04 0.00 0.00 34.50 32.20 1aoz s PRO 167 CO 0.40 -2.39 0.97 1.96 0.04 0.00 0.00 177.00 177.98 1aoz h GLN 168 N -1.68 0.08 -3.39 4.56 7.50 -1.48 -3.41 115.11 117.30 1aoz h GLN 168 Ca -0.46 -0.13 -0.17 0.00 0.50 0.00 0.00 58.65 58.39 1aoz h GLN 168 Cb 1.27 0.05 -0.24 0.00 0.05 0.00 0.00 27.48 28.60 1aoz h GLN 168 CO 0.47 0.89 -0.51 0.99 -1.50 0.00 0.00 178.83 179.18 1aoz s THR 169 N -2.65 0.03 -0.11 -0.54 2.01 -1.13 -4.60 115.64 108.65 1aoz s THR 169 Ca -0.04 -0.25 -0.12 0.00 0.31 0.00 0.00 61.69 61.59 1aoz s THR 169 Cb 0.08 -0.31 -0.05 0.00 0.01 0.00 0.00 72.50 72.23 1aoz s THR 169 CO 0.83 -0.14 0.29 -0.63 -0.69 0.00 0.00 174.62 174.28 1aoz s ILE 170 N -0.44 5.28 -0.20 1.82 -1.09 -1.26 -0.95 121.20 124.35 1aoz s ILE 170 Ca -0.05 0.55 -0.05 0.00 -2.23 0.00 0.00 60.65 58.86 1aoz s ILE 170 Cb -0.03 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.22 1aoz s ILE 170 CO 0.01 0.50 0.01 -0.76 -1.23 0.00 0.00 174.94 173.46 1aoz s LEU 171 N -0.32 3.29 -0.28 2.97 1.02 -0.20 -4.43 118.68 120.73 1aoz s LEU 171 Ca 0.18 -0.19 -0.06 0.00 0.02 0.00 0.00 54.13 54.08 1aoz s LEU 171 Cb -0.14 -1.84 0.01 0.00 0.02 0.00 0.00 46.19 44.25 1aoz s LEU 171 CO 0.06 0.06 0.05 -0.76 0.02 0.00 0.00 176.35 175.79 1aoz s LEU 172 N 1.00 3.69 -1.58 1.79 1.02 0.38 -2.19 118.68 122.79 1aoz s LEU 172 Ca 0.02 -0.73 -0.13 0.00 0.02 0.00 0.00 54.13 53.31 1aoz s LEU 172 Cb -0.14 -1.83 0.10 0.00 0.02 0.00 0.00 46.19 44.34 1aoz s LEU 172 CO 0.02 -0.17 0.77 0.59 0.02 0.00 0.00 176.35 177.57 1aoz n ASN 173 N 4.82 -3.05 0.00 2.29 3.02 -0.19 -1.91 115.26 120.23 1aoz n ASN 173 Ca -0.15 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 1aoz n ASN 173 Cb 0.48 -3.19 0.00 0.00 -0.61 0.00 0.00 39.78 36.46 1aoz n ASN 173 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1aoz n GLY 174 N -1.61 0.63 3.30 7.41 0.00 -1.26 -4.73 105.19 108.93 1aoz n GLY 174 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 1aoz n GLY 174 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aoz s ARG 175 N -0.04 1.25 0.10 1.61 0.52 -0.81 -4.68 118.95 116.91 1aoz s ARG 175 Ca 0.00 -1.15 -0.26 0.00 -0.52 0.00 0.00 55.73 53.80 1aoz s ARG 175 Cb 0.00 -1.52 0.08 0.00 0.52 0.00 0.00 34.95 34.03 1aoz s ARG 175 CO 0.00 0.36 1.08 0.20 0.02 0.00 0.00 175.30 176.97 1aoz s GLY 176 N -1.77 -0.22 -0.05 -3.53 0.00 -0.86 -0.47 107.32 100.43 1aoz s GLY 176 Ca 0.08 0.20 0.02 0.00 0.00 0.00 0.00 44.72 45.02 1aoz s GLY 176 CO 0.04 0.71 -0.11 1.20 0.00 0.00 0.00 173.10 174.94 1aoz s GLN 177 N -2.78 1.40 -0.09 2.90 1.11 -1.26 -3.95 119.66 116.99 1aoz s GLN 177 Ca 0.15 -0.36 -0.00 0.00 0.01 0.00 0.00 55.36 55.16 1aoz s GLN 177 Cb 0.00 -1.21 -0.03 0.00 -1.01 0.00 0.00 33.01 30.76 1aoz s GLN 177 CO 0.01 0.06 -0.07 0.12 0.01 0.00 0.00 175.29 175.41 1aoz s PHE 178 N 0.52 2.94 -0.11 0.91 5.36 -1.26 -4.70 117.98 121.64 1aoz s PHE 178 Ca -0.10 -0.12 0.00 0.00 -0.96 0.00 0.00 56.93 55.75 1aoz s PHE 178 Cb -0.13 -1.77 0.00 0.00 -0.34 0.00 0.00 43.02 40.77 1aoz s PHE 178 CO 0.02 0.19 0.00 -0.25 -1.46 0.00 0.00 175.22 173.73 1aoz n ASP 179 N 2.64 -5.29 -3.63 6.13 8.00 -1.26 -4.94 116.55 118.20 1aoz n ASP 179 Ca -0.18 0.03 -0.10 0.00 0.71 0.00 0.00 54.79 55.24 1aoz n ASP 179 Cb 0.53 -2.88 -0.04 0.00 -0.02 0.00 0.00 41.12 38.71 1aoz n ASP 179 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aoz s SER 181 N -2.82 1.74 0.00 0.00 0.15 0.46 -4.86 113.70 108.37 1aoz s SER 181 Ca 0.05 -0.27 0.24 0.00 0.70 0.00 0.00 55.95 56.67 1aoz s SER 181 Cb -0.00 -0.26 1.14 0.00 -1.71 0.00 0.00 66.02 65.19 1aoz s SER 181 CO -0.08 0.17 1.78 2.30 1.20 0.00 0.00 173.24 178.61 1aoz n ILE 182 N 2.84 0.29 -1.53 6.45 -5.35 -1.26 -2.62 119.36 118.18 1aoz n ILE 182 Ca -0.15 0.07 -0.05 0.00 -0.27 0.00 0.00 62.75 62.34 1aoz n ILE 182 Cb 0.55 -0.67 0.18 0.00 -1.74 0.00 0.00 39.64 37.96 1aoz n ILE 182 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1aoz n ALA 183 N -1.36 4.37 0.68 -1.28 0.00 -1.26 -4.75 120.51 116.91 1aoz n ALA 183 Ca 0.09 -3.24 0.07 0.00 0.00 0.00 0.00 53.44 50.36 1aoz n ALA 183 Cb 0.22 -0.68 0.36 0.00 0.00 0.00 0.00 19.45 19.34 1aoz n ALA 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aoz n ALA 184 N -1.09 1.82 0.87 0.00 0.00 -1.08 -3.32 120.51 117.72 1aoz n ALA 184 Ca 0.33 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.82 1aoz n ALA 184 Cb 0.97 -1.23 0.54 0.00 0.00 0.00 0.00 19.45 19.73 1aoz n ALA 184 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1aoz n LYS 185 N -1.26 0.02 0.00 0.00 2.85 -1.26 -2.59 118.16 115.92 1aoz n LYS 185 Ca 0.07 0.07 0.11 0.00 -1.05 0.00 0.00 58.31 57.52 1aoz n LYS 185 Cb 0.11 -1.50 0.05 0.00 -0.65 0.00 0.00 35.03 33.04 1aoz n LYS 185 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1aoz n TYR 186 N -1.49 0.00 -3.25 5.58 4.01 -1.21 -4.85 117.16 115.94 1aoz n TYR 186 Ca 0.06 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.77 1aoz n TYR 186 Cb 0.29 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.27 1aoz n TYR 186 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1aoz s ASP 187 N -2.31 -0.51 0.04 7.72 -1.08 -1.07 -5.02 116.67 114.44 1aoz s ASP 187 Ca 0.22 0.41 0.02 0.00 -0.52 0.00 0.00 52.55 52.68 1aoz s ASP 187 Cb 0.19 1.59 0.11 0.00 -1.46 0.00 0.00 42.92 43.35 1aoz s ASP 187 CO 0.48 -0.29 0.98 -1.20 0.52 0.00 0.00 175.17 175.65 1aoz n SER 188 N 5.39 0.05 0.02 -0.34 7.64 -1.26 -1.13 113.62 124.00 1aoz n SER 188 Ca -0.01 0.44 0.13 0.00 1.01 0.00 0.00 58.87 60.43 1aoz n SER 188 Cb 0.51 -0.44 0.44 0.00 -1.01 0.00 0.00 64.21 63.71 1aoz n SER 188 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1aoz n ASN 189 N -1.49 0.34 -4.87 6.43 5.03 -1.26 -4.84 115.26 114.59 1aoz n ASN 189 Ca -0.00 0.27 -0.34 0.00 0.87 0.00 0.00 54.58 55.38 1aoz n ASN 189 Cb 0.10 -0.27 -0.05 0.00 -1.02 0.00 0.00 39.78 38.54 1aoz n ASN 189 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1aoz s LEU 190 N -3.38 4.31 -0.18 3.41 1.43 -0.28 -5.08 118.68 118.91 1aoz s LEU 190 Ca 0.12 0.76 -0.17 0.00 -1.03 0.00 0.00 54.13 53.81 1aoz s LEU 190 Cb 0.17 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.23 1aoz s LEU 190 CO 0.61 0.12 0.45 -0.70 0.23 0.00 0.00 176.35 177.06 1aoz s GLU 191 N -2.15 4.22 0.24 1.70 2.56 -1.26 -4.93 118.70 119.08 1aoz s GLU 191 Ca 0.36 0.32 -0.30 0.00 0.00 0.00 0.00 54.97 55.35 1aoz s GLU 191 Cb -0.13 -3.52 -0.10 0.00 2.00 0.00 0.00 34.13 32.38 1aoz s GLU 191 CO 0.20 -0.02 1.39 -2.14 -0.56 0.00 0.00 175.26 174.13 1aoz s PRO 192 N 1.23 4.31 0.17 4.30 0.02 -1.26 -0.41 135.00 143.36 1aoz s PRO 192 Ca 0.22 2.22 -0.24 0.00 0.02 0.00 0.00 61.00 63.22 1aoz s PRO 192 Cb -0.15 -3.13 -0.08 0.00 0.02 0.00 0.00 34.50 31.16 1aoz s PRO 192 CO 0.09 -0.35 0.76 0.00 -0.33 0.00 0.00 177.00 177.17 1aoz s LYS 194 N -1.26 3.95 -0.27 0.00 1.02 -1.26 -5.00 119.74 116.92 1aoz s LYS 194 Ca 0.36 -0.32 -0.09 0.00 0.02 0.00 0.00 55.97 55.94 1aoz s LYS 194 Cb -0.22 -3.61 0.12 0.00 -0.52 0.00 0.00 37.83 33.60 1aoz s LYS 194 CO 0.25 -0.13 0.59 -0.51 -0.92 0.00 0.00 175.35 174.63 1aoz s LEU 195 N 1.59 -1.01 0.00 3.17 1.43 -1.26 -5.01 118.68 117.59 1aoz s LEU 195 Ca 0.07 1.42 0.29 0.00 -1.03 0.00 0.00 54.13 54.89 1aoz s LEU 195 Cb -0.15 2.05 1.31 0.00 0.03 0.00 0.00 46.19 49.43 1aoz s LEU 195 CO 0.09 -0.22 1.96 0.29 0.23 0.00 0.00 176.35 178.70 1aoz n LYS 196 N 5.42 0.13 -0.09 1.70 5.02 -1.26 -4.91 118.16 124.17 1aoz n LYS 196 Ca -0.11 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1aoz n LYS 196 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1aoz n LYS 196 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aoz n GLY 197 N 1.44 0.66 0.55 0.72 0.00 -1.26 -4.92 105.19 102.37 1aoz n GLY 197 Ca 0.09 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.20 1aoz n GLY 197 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1aoz n SER 198 N 0.00 2.09 -4.89 1.61 3.41 -1.26 -4.84 113.62 109.73 1aoz n SER 198 Ca 0.00 -1.54 -0.29 0.00 -0.26 0.00 0.00 58.87 56.78 1aoz n SER 198 Cb 0.00 0.29 0.02 0.00 -0.26 0.00 0.00 64.21 64.26 1aoz n SER 198 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1aoz s GLU 199 N -1.90 3.30 0.50 4.33 8.01 -1.26 -4.97 118.70 126.70 1aoz s GLU 199 Ca 0.18 0.36 0.24 0.00 0.01 0.00 0.00 54.97 55.76 1aoz s GLU 199 Cb 0.15 -2.20 1.31 0.00 -4.31 0.00 0.00 34.13 29.08 1aoz s GLU 199 CO 0.38 -0.57 2.04 0.66 0.01 0.00 0.00 175.26 177.77 1aoz h SER 200 N -0.18 0.00 -0.37 -0.19 4.64 -1.94 -1.99 113.55 113.52 1aoz h SER 200 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1aoz h SER 200 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1aoz h SER 200 CO 0.62 0.15 0.00 0.00 -0.87 0.00 0.00 176.83 176.73 1aoz s ALA 202 N -1.52 3.58 0.43 0.00 0.00 -0.75 -4.04 121.76 119.46 1aoz s ALA 202 Ca 0.38 1.27 -0.24 0.00 0.00 0.00 0.00 51.96 53.37 1aoz s ALA 202 Cb 0.23 -3.52 -0.10 0.00 0.00 0.00 0.00 23.12 19.72 1aoz s ALA 202 CO 0.32 -0.68 1.02 -0.35 0.00 0.00 0.00 175.76 176.07 1aoz n PRO 203 N 2.03 1.35 -2.79 0.00 -0.04 -1.26 -4.87 135.00 129.42 1aoz n PRO 203 Ca 0.05 0.49 -0.43 0.00 -0.04 0.00 0.00 63.50 63.57 1aoz n PRO 203 Cb 0.41 -2.07 -0.04 0.00 -0.04 0.00 0.00 33.50 31.76 1aoz n PRO 203 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1aoz s TYR 204 N -1.29 2.73 0.09 0.54 6.14 -1.26 -5.02 117.35 119.28 1aoz s TYR 204 Ca 0.64 -0.01 -0.29 0.00 0.64 0.00 0.00 57.07 58.05 1aoz s TYR 204 Cb -0.54 -4.18 -0.06 0.00 0.42 0.00 0.00 41.96 37.60 1aoz s TYR 204 CO 0.56 -1.44 0.91 0.42 0.64 0.00 0.00 175.55 176.63 1aoz s ILE 205 N 4.17 4.56 -0.17 3.14 1.09 -1.26 -4.73 121.20 128.00 1aoz s ILE 205 Ca 0.31 1.95 -0.26 0.00 -1.10 0.00 0.00 60.65 61.56 1aoz s ILE 205 Cb -0.12 -4.26 -0.01 0.00 -1.06 0.00 0.00 42.46 37.00 1aoz s ILE 205 CO 0.19 0.33 0.85 -0.36 -0.10 0.00 0.00 174.94 175.85 1aoz s PHE 206 N -0.02 3.42 -0.16 3.97 0.40 -0.91 -4.99 117.98 119.69 1aoz s PHE 206 Ca 0.44 1.28 -0.04 0.00 -0.60 0.00 0.00 56.93 58.01 1aoz s PHE 206 Cb -0.23 -3.03 -0.03 0.00 0.51 0.00 0.00 43.02 40.25 1aoz s PHE 206 CO 0.28 -0.25 -0.03 -1.01 0.70 0.00 0.00 175.22 174.92 1aoz s HIS 207 N 2.18 3.05 0.06 0.36 3.76 -1.26 -0.43 115.29 123.01 1aoz s HIS 207 Ca 0.39 -0.26 0.04 0.00 -0.15 0.00 0.00 55.06 55.08 1aoz s HIS 207 Cb -0.17 -1.97 -0.03 0.00 1.11 0.00 0.00 32.58 31.52 1aoz s HIS 207 CO 0.12 -0.02 -0.11 0.14 -0.85 0.00 0.00 174.74 174.03 1aoz s VAL 208 N 0.37 0.84 0.13 -0.90 -7.23 0.19 -4.94 120.40 108.86 1aoz s VAL 208 Ca -0.03 -1.24 -0.04 0.00 -1.81 0.00 0.00 61.98 58.86 1aoz s VAL 208 Cb -0.14 -0.90 -0.05 0.00 0.56 0.00 0.00 36.38 35.85 1aoz s VAL 208 CO 0.03 -0.33 0.35 -0.44 -0.31 0.00 0.00 175.10 174.40 1aoz s SER 209 N -1.74 6.46 0.62 4.85 0.01 -1.26 -0.77 113.70 121.87 1aoz s SER 209 Ca -0.05 0.53 -0.17 0.00 1.31 0.00 0.00 55.95 57.57 1aoz s SER 209 Cb -0.09 -2.07 -0.07 0.00 0.21 0.00 0.00 66.02 64.00 1aoz s SER 209 CO 0.01 0.07 0.51 -2.65 0.41 0.00 0.00 173.24 171.59 1aoz n PRO 210 N 0.08 0.44 -2.52 12.44 -0.02 -1.26 -3.84 135.00 140.32 1aoz n PRO 210 Ca -0.03 0.18 -0.13 0.00 -2.02 0.00 0.00 63.50 61.50 1aoz n PRO 210 Cb 0.52 -1.73 -0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1aoz n PRO 210 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1aoz n LYS 211 N -0.23 -2.36 -4.19 -0.52 0.00 -0.67 -4.97 118.16 105.21 1aoz n LYS 211 Ca 0.11 0.60 -0.24 0.00 0.00 0.00 0.00 58.31 58.78 1aoz n LYS 211 Cb 0.48 -5.21 -0.08 0.00 0.00 0.00 0.00 35.03 30.22 1aoz n LYS 211 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1aoz s LYS 212 N -5.12 2.21 -0.09 1.64 -0.14 -1.25 -4.89 119.74 112.10 1aoz s LYS 212 Ca 0.04 -1.76 0.02 0.00 -1.36 0.00 0.00 55.97 52.90 1aoz s LYS 212 Cb -0.02 -2.00 -0.02 0.00 -1.68 0.00 0.00 37.83 34.11 1aoz s LYS 212 CO 0.04 -0.00 -0.13 0.99 -0.76 0.00 0.00 175.35 175.49 1aoz s THR 213 N -2.54 3.09 0.01 2.17 2.01 -1.26 -0.94 115.64 118.17 1aoz s THR 213 Ca 0.39 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.77 1aoz s THR 213 Cb 0.02 -2.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.25 1aoz s THR 213 CO 0.22 0.56 -0.19 -0.31 -0.69 0.00 0.00 174.62 174.21 1aoz s TYR 214 N -0.18 1.64 -0.27 4.92 1.51 -0.25 -0.76 117.35 123.96 1aoz s TYR 214 Ca 0.00 -0.34 -0.15 0.00 -1.01 0.00 0.00 57.07 55.57 1aoz s TYR 214 Cb -0.13 -1.02 -0.03 0.00 -0.11 0.00 0.00 41.96 40.66 1aoz s TYR 214 CO 0.03 0.02 0.40 0.50 -1.11 0.00 0.00 175.55 175.39 1aoz s ARG 215 N -0.77 4.00 -0.31 -0.62 6.06 -0.41 -1.89 118.95 125.00 1aoz s ARG 215 Ca 0.07 0.06 -0.08 0.00 -2.50 0.00 0.00 55.73 53.28 1aoz s ARG 215 Cb -0.08 -3.67 0.01 0.00 0.06 0.00 0.00 34.95 31.28 1aoz s ARG 215 CO 0.00 -0.31 0.11 0.42 -2.50 0.00 0.00 175.30 173.02 1aoz s ILE 216 N 2.12 4.08 -0.13 4.11 1.01 0.10 -0.82 121.20 131.67 1aoz s ILE 216 Ca 0.16 -0.74 -0.17 0.00 0.00 0.00 0.00 60.65 59.90 1aoz s ILE 216 Cb -0.16 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 1aoz s ILE 216 CO 0.10 0.01 0.44 -0.13 0.00 0.00 0.00 174.94 175.36 1aoz s ARG 217 N 1.51 4.31 -0.07 2.79 0.52 -0.46 -1.34 118.95 126.21 1aoz s ARG 217 Ca 0.02 0.37 0.01 0.00 -0.52 0.00 0.00 55.73 55.61 1aoz s ARG 217 Cb -0.18 -3.45 0.02 0.00 0.52 0.00 0.00 34.95 31.87 1aoz s ARG 217 CO 0.03 0.15 -0.09 0.42 0.02 0.00 0.00 175.30 175.84 1aoz s ILE 218 N 0.68 0.92 0.04 1.52 1.01 -0.29 -0.89 121.20 124.19 1aoz s ILE 218 Ca 0.24 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.60 1aoz s ILE 218 Cb -0.15 -0.89 -0.02 0.00 0.01 0.00 0.00 42.46 41.41 1aoz s ILE 218 CO 0.09 0.32 -0.09 0.00 0.00 0.00 0.00 174.94 175.26 1aoz s ALA 219 N 1.02 0.70 -0.12 9.38 0.00 -0.59 -0.57 121.76 131.56 1aoz s ALA 219 Ca -0.09 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1aoz s ALA 219 Cb -0.15 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 22.98 1aoz s ALA 219 CO -0.00 0.04 -0.20 0.45 0.00 0.00 0.00 175.76 176.04 1aoz s SER 220 N -1.46 2.90 -0.22 0.00 0.15 -0.52 -0.91 113.70 113.65 1aoz s SER 220 Ca -0.07 -0.55 0.12 0.00 0.70 0.00 0.00 55.95 56.16 1aoz s SER 220 Cb -0.09 -1.33 0.44 0.00 -1.71 0.00 0.00 66.02 63.33 1aoz s SER 220 CO 0.01 0.07 1.19 0.41 1.20 0.00 0.00 173.24 176.12 1aoz n THR 221 N 4.03 2.00 -1.82 6.45 -1.04 -0.51 -0.97 114.28 122.42 1aoz n THR 221 Ca -0.20 -3.33 -0.39 0.00 -2.04 0.00 0.00 64.05 58.09 1aoz n THR 221 Cb 0.52 -0.29 0.03 0.00 -1.82 0.00 0.00 70.33 68.76 1aoz n THR 221 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1aoz s THR 222 N -3.44 2.14 0.17 12.58 -4.23 -1.24 -4.70 115.64 116.92 1aoz s THR 222 Ca 0.41 0.12 0.05 0.00 -1.18 0.00 0.00 61.69 61.09 1aoz s THR 222 Cb 0.38 -3.06 -0.15 0.00 1.34 0.00 0.00 72.50 71.01 1aoz s THR 222 CO -0.04 0.01 1.38 0.00 -0.54 0.00 0.00 174.62 175.43 1aoz h ALA 223 N 1.95 0.54 0.00 3.99 0.00 -1.88 -3.45 119.26 120.42 1aoz h ALA 223 Ca -0.51 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 53.64 1aoz h ALA 223 Cb 1.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1aoz h ALA 223 CO 0.59 1.00 -0.22 -0.11 0.00 0.00 0.00 179.25 180.51 1aoz n LEU 224 N -3.58 0.04 -4.77 0.00 7.94 -1.26 -0.97 117.00 114.40 1aoz n LEU 224 Ca -0.02 0.09 -0.40 0.00 -1.11 0.00 0.00 56.01 54.56 1aoz n LEU 224 Cb 0.82 0.05 -0.00 0.00 0.53 0.00 0.00 43.42 44.82 1aoz n LEU 224 CO 0.47 -0.45 1.05 0.00 -1.11 0.00 0.00 177.39 177.34 1aoz s ALA 225 N -2.00 3.40 -0.10 1.96 0.00 -1.26 -4.94 121.76 118.82 1aoz s ALA 225 Ca 0.00 1.41 -0.05 0.00 0.00 0.00 0.00 51.96 53.32 1aoz s ALA 225 Cb 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 1aoz s ALA 225 CO 0.00 -0.95 0.08 0.00 0.00 0.00 0.00 175.76 174.88 1aoz s ALA 226 N -1.18 3.61 0.21 0.00 0.00 -1.26 -4.32 121.76 118.82 1aoz s ALA 226 Ca 0.55 -0.72 0.07 0.00 0.00 0.00 0.00 51.96 51.86 1aoz s ALA 226 Cb -0.42 -1.74 -0.05 0.00 0.00 0.00 0.00 23.12 20.90 1aoz s ALA 226 CO 0.56 0.61 -0.12 -0.51 0.00 0.00 0.00 175.76 176.29 1aoz s LEU 227 N -0.98 2.53 -0.08 0.00 1.43 -0.49 -1.46 118.68 119.63 1aoz s LEU 227 Ca 0.14 -1.04 0.03 0.00 -1.03 0.00 0.00 54.13 52.23 1aoz s LEU 227 Cb -0.12 -0.61 0.01 0.00 0.03 0.00 0.00 46.19 45.50 1aoz s LEU 227 CO 0.03 -0.22 -0.16 0.21 0.23 0.00 0.00 176.35 176.44 1aoz s ASN 228 N -3.31 2.25 -0.19 2.29 3.84 0.15 -0.60 114.94 119.37 1aoz s ASN 228 Ca 0.23 -0.39 -0.01 0.00 0.21 0.00 0.00 52.86 52.89 1aoz s ASN 228 Cb 0.00 -1.04 0.00 0.00 -0.55 0.00 0.00 41.25 39.67 1aoz s ASN 228 CO 0.07 0.08 -0.12 0.12 -2.79 0.00 0.00 177.10 174.46 1aoz s PHE 229 N 0.55 2.87 -0.00 0.43 5.36 0.40 -1.01 117.98 126.56 1aoz s PHE 229 Ca -0.16 -1.21 0.00 0.00 -0.96 0.00 0.00 56.93 54.60 1aoz s PHE 229 Cb -0.17 -2.00 0.00 0.00 -0.34 0.00 0.00 43.02 40.52 1aoz s PHE 229 CO 0.06 -0.63 0.00 0.00 -1.46 0.00 0.00 175.22 173.19 1aoz s ALA 230 N 1.29 0.04 -0.13 11.12 0.00 -0.74 -1.45 121.76 131.89 1aoz s ALA 230 Ca 0.04 0.03 -0.04 0.00 0.00 0.00 0.00 51.96 51.98 1aoz s ALA 230 Cb -0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 1aoz s ALA 230 CO -0.06 -0.01 0.02 0.42 0.00 0.00 0.00 175.76 176.13 1aoz s ILE 231 N 0.14 4.46 0.33 0.00 1.01 -1.26 -1.57 121.20 124.32 1aoz s ILE 231 Ca -0.01 -0.17 -0.29 0.00 0.00 0.00 0.00 60.65 60.18 1aoz s ILE 231 Cb -0.02 -2.94 -0.11 0.00 0.01 0.00 0.00 42.46 39.40 1aoz s ILE 231 CO -0.00 0.54 1.54 -0.83 0.00 0.00 0.00 174.94 176.18 1aoz s GLY 232 N -0.24 2.54 -1.17 6.18 0.00 0.08 -2.81 107.32 111.89 1aoz s GLY 232 Ca 0.06 1.57 0.00 0.00 0.00 0.00 0.00 44.72 46.35 1aoz s GLY 232 CO 0.02 2.40 0.00 0.70 0.00 0.00 0.00 173.10 176.22 1aoz n ASN 233 N 1.31 -4.93 -4.05 1.64 4.13 -1.26 -4.72 115.26 107.37 1aoz n ASN 233 Ca 0.04 0.27 -0.27 0.00 1.68 0.00 0.00 54.58 56.31 1aoz n ASN 233 Cb 0.38 -3.82 -0.17 0.00 -1.54 0.00 0.00 39.78 34.64 1aoz n ASN 233 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1aoz s HIS 234 N -1.88 1.72 0.36 3.10 3.76 -1.12 -4.96 115.29 116.26 1aoz s HIS 234 Ca 0.00 -0.69 -0.27 0.00 -0.15 0.00 0.00 55.06 53.95 1aoz s HIS 234 Cb 0.00 -1.24 -0.09 0.00 1.11 0.00 0.00 32.58 32.36 1aoz s HIS 234 CO 0.00 -0.35 1.18 -0.65 -0.85 0.00 0.00 174.74 174.07 1aoz s GLN 235 N 0.73 4.26 -0.08 1.40 -1.52 -1.26 -4.63 119.66 118.56 1aoz s GLN 235 Ca -0.13 1.90 0.00 0.00 -1.95 0.00 0.00 55.36 55.18 1aoz s GLN 235 Cb -0.16 -2.88 -0.03 0.00 -0.22 0.00 0.00 33.01 29.73 1aoz s GLN 235 CO 0.03 -0.16 -0.05 -0.51 -0.25 0.00 0.00 175.29 174.35 1aoz s LEU 236 N -2.10 3.25 -0.21 2.90 1.43 -0.37 -4.59 118.68 118.99 1aoz s LEU 236 Ca 0.52 0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.61 1aoz s LEU 236 Cb -0.33 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1aoz s LEU 236 CO 0.42 0.36 -0.10 -0.22 0.23 0.00 0.00 176.35 177.04 1aoz s LEU 237 N -0.77 2.66 -0.10 1.79 2.96 -0.57 -1.37 118.68 123.28 1aoz s LEU 237 Ca 0.12 -0.51 -0.28 0.00 -0.22 0.00 0.00 54.13 53.23 1aoz s LEU 237 Cb -0.11 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 1aoz s LEU 237 CO 0.02 -0.02 0.95 -0.69 -1.32 0.00 0.00 176.35 175.28 1aoz s VAL 238 N 1.40 4.84 0.00 1.68 1.01 0.19 -0.99 120.40 128.53 1aoz s VAL 238 Ca 0.05 1.92 0.00 0.00 0.00 0.00 0.00 61.98 63.95 1aoz s VAL 238 Cb -0.14 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 31.98 1aoz s VAL 238 CO -0.07 0.05 0.00 1.33 0.00 0.00 0.00 175.10 176.42 1aoz n VAL 239 N 4.42 0.00 -3.87 2.92 0.24 -0.41 -3.57 118.33 118.06 1aoz n VAL 239 Ca 0.07 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.25 1aoz n VAL 239 Cb 0.49 0.38 -0.13 0.00 -1.47 0.00 0.00 33.84 33.11 1aoz n VAL 239 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1aoz s GLU 240 N -1.86 0.17 -0.02 7.34 2.12 -1.03 -2.39 118.70 123.02 1aoz s GLU 240 Ca 0.00 -0.09 -0.00 0.00 0.36 0.00 0.00 54.97 55.24 1aoz s GLU 240 Cb 0.00 0.07 0.03 0.00 0.26 0.00 0.00 34.13 34.49 1aoz s GLU 240 CO 0.00 -0.03 0.04 0.00 -0.54 0.00 0.00 175.26 174.73 1aoz s ALA 241 N -0.39 0.09 -1.73 6.30 0.00 0.53 -1.72 121.76 124.83 1aoz s ALA 241 Ca -0.05 0.31 -0.16 0.00 0.00 0.00 0.00 51.96 52.06 1aoz s ALA 241 Cb -0.03 -0.31 0.15 0.00 0.00 0.00 0.00 23.12 22.93 1aoz s ALA 241 CO 0.00 -0.17 0.56 -0.25 0.00 0.00 0.00 175.76 175.91 1aoz n ASP 242 N 4.35 -1.81 0.00 0.00 9.92 0.14 -0.55 116.55 128.60 1aoz n ASP 242 Ca -0.24 -1.15 0.00 0.00 -0.53 0.00 0.00 54.79 52.87 1aoz n ASP 242 Cb 0.50 -2.15 0.00 0.00 -0.64 0.00 0.00 41.12 38.83 1aoz n ASP 242 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1aoz n GLY 243 N -1.50 0.47 3.06 0.44 0.00 -1.26 -4.68 105.19 101.71 1aoz n GLY 243 Ca -0.00 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.29 1aoz n GLY 243 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1aoz s ASN 244 N -2.57 0.68 0.09 1.61 0.01 0.29 -4.64 114.94 110.42 1aoz s ASN 244 Ca 0.00 -0.65 -0.16 0.00 -0.71 0.00 0.00 52.86 51.33 1aoz s ASN 244 Cb 0.00 0.08 -0.07 0.00 0.41 0.00 0.00 41.25 41.68 1aoz s ASN 244 CO 0.00 -0.32 0.54 -0.31 -1.51 0.00 0.00 177.10 175.50 1aoz s TYR 245 N -2.03 3.71 0.35 2.20 2.02 -1.26 -0.35 117.35 122.00 1aoz s TYR 245 Ca -0.07 1.14 0.09 0.00 -0.37 0.00 0.00 57.07 57.86 1aoz s TYR 245 Cb -0.06 -2.41 -0.06 0.00 -0.40 0.00 0.00 41.96 39.04 1aoz s TYR 245 CO -0.02 0.53 0.01 0.14 -1.57 0.00 0.00 175.55 174.65 1aoz s VAL 246 N -1.25 2.54 -0.06 0.71 -7.23 -1.01 -2.28 120.40 111.82 1aoz s VAL 246 Ca 0.32 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 58.21 1aoz s VAL 246 Cb -0.17 -2.81 -0.05 0.00 0.56 0.00 0.00 36.38 33.91 1aoz s VAL 246 CO 0.18 -0.18 1.53 -1.58 -0.31 0.00 0.00 175.10 174.75 1aoz s GLN 247 N -3.72 4.21 0.45 4.82 0.74 -0.24 -4.24 119.66 121.68 1aoz s GLN 247 Ca 0.35 2.06 -0.24 0.00 0.05 0.00 0.00 55.36 57.58 1aoz s GLN 247 Cb 0.01 -3.84 -0.09 0.00 1.10 0.00 0.00 33.01 30.19 1aoz s GLN 247 CO 0.19 -0.76 1.12 -2.30 -0.55 0.00 0.00 175.29 172.99 1aoz n PRO 248 N 6.60 1.52 -3.51 1.67 -0.02 -1.25 -4.77 135.00 135.24 1aoz n PRO 248 Ca 0.16 0.55 -0.16 0.00 -2.02 0.00 0.00 63.50 62.02 1aoz n PRO 248 Cb 0.43 -2.22 -0.05 0.00 -0.02 0.00 0.00 33.50 31.64 1aoz n PRO 248 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1aoz s PHE 249 N -1.28 -0.61 0.11 6.00 -0.71 -1.23 -4.98 117.98 115.28 1aoz s PHE 249 Ca 0.65 0.90 -0.01 0.00 -1.04 0.00 0.00 56.93 57.43 1aoz s PHE 249 Cb -0.51 0.43 -0.04 0.00 -1.21 0.00 0.00 43.02 41.69 1aoz s PHE 249 CO 0.55 -0.66 0.28 0.71 -1.34 0.00 0.00 175.22 174.77 1aoz s TYR 250 N -1.82 3.50 0.21 3.49 2.02 -1.26 -0.64 117.35 122.85 1aoz s TYR 250 Ca -0.08 0.33 -0.15 0.00 -0.37 0.00 0.00 57.07 56.79 1aoz s TYR 250 Cb -0.00 -1.83 0.01 0.00 -0.40 0.00 0.00 41.96 39.74 1aoz s TYR 250 CO 0.04 0.52 0.48 -0.08 -1.57 0.00 0.00 175.55 174.94 1aoz s THR 251 N -1.61 0.03 -0.79 -0.71 -1.32 -0.47 -4.98 115.64 105.77 1aoz s THR 251 Ca 0.37 -1.05 0.24 0.00 -1.21 0.00 0.00 61.69 60.04 1aoz s THR 251 Cb -0.12 -1.80 -0.04 0.00 -1.51 0.00 0.00 72.50 69.03 1aoz s THR 251 CO 0.27 -0.12 1.23 -1.54 -2.21 0.00 0.00 174.62 172.26 1aoz n SER 252 N -0.34 0.62 -3.57 8.08 3.41 -1.26 -1.23 113.62 119.32 1aoz n SER 252 Ca -0.07 -0.21 -0.06 0.00 -0.26 0.00 0.00 58.87 58.27 1aoz n SER 252 Cb 0.62 0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 65.01 1aoz n SER 252 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1aoz s ASP 253 N -3.58 -0.20 0.12 4.04 1.47 -1.26 -4.60 116.67 112.66 1aoz s ASP 253 Ca 0.07 0.02 0.08 0.00 1.18 0.00 0.00 52.55 53.90 1aoz s ASP 253 Cb 0.15 0.20 -0.04 0.00 -0.34 0.00 0.00 42.92 42.90 1aoz s ASP 253 CO 0.75 -0.32 -0.19 0.27 0.68 0.00 0.00 175.17 176.36 1aoz s ILE 254 N -2.48 1.64 -0.07 2.11 -4.36 -0.53 -4.93 121.20 112.58 1aoz s ILE 254 Ca 0.08 -1.66 -0.09 0.00 -0.26 0.00 0.00 60.65 58.72 1aoz s ILE 254 Cb -0.01 -1.59 -0.05 0.00 1.25 0.00 0.00 42.46 42.06 1aoz s ILE 254 CO -0.06 -0.20 0.23 -1.81 0.24 0.00 0.00 174.94 173.34 1aoz s ASP 255 N -2.19 6.52 -0.03 4.36 1.01 -1.26 -0.46 116.67 124.62 1aoz s ASP 255 Ca 0.09 0.62 -0.01 0.00 0.71 0.00 0.00 52.55 53.96 1aoz s ASP 255 Cb -0.08 -2.12 0.03 0.00 1.01 0.00 0.00 42.92 41.75 1aoz s ASP 255 CO 0.05 0.37 0.05 -0.51 0.21 0.00 0.00 175.17 175.34 1aoz s ILE 256 N -1.07 -0.05 0.22 0.77 2.07 0.24 -4.99 121.20 118.39 1aoz s ILE 256 Ca 0.19 0.17 0.07 0.00 -1.41 0.00 0.00 60.65 59.67 1aoz s ILE 256 Cb -0.13 -0.11 -0.04 0.00 0.13 0.00 0.00 42.46 42.31 1aoz s ILE 256 CO 0.08 0.07 0.09 -0.31 -1.91 0.00 0.00 174.94 172.96 1aoz s TYR 257 N 0.91 2.96 0.10 3.50 2.02 -1.26 -1.40 117.35 124.18 1aoz s TYR 257 Ca -0.07 -0.12 -0.34 0.00 -0.37 0.00 0.00 57.07 56.16 1aoz s TYR 257 Cb -0.10 -1.37 -0.14 0.00 -0.40 0.00 0.00 41.96 39.95 1aoz s TYR 257 CO -0.03 0.54 1.63 0.45 -1.57 0.00 0.00 175.55 176.57 1aoz n SER 258 N -0.67 3.07 0.00 2.29 2.88 -1.26 -1.92 113.62 118.01 1aoz n SER 258 Ca -0.08 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 1aoz n SER 258 Cb 0.57 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 1aoz n SER 258 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1aoz n GLY 259 N 3.57 2.70 3.86 0.46 0.00 -0.14 -4.80 105.19 110.84 1aoz n GLY 259 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1aoz n GLY 259 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aoz s GLU 260 N -0.63 3.91 0.01 1.61 2.02 -0.81 -4.66 118.70 120.14 1aoz s GLU 260 Ca 0.00 0.52 0.02 0.00 0.02 0.00 0.00 54.97 55.53 1aoz s GLU 260 Cb 0.00 -2.48 -0.01 0.00 0.10 0.00 0.00 34.13 31.74 1aoz s GLU 260 CO 0.00 0.17 -0.06 -1.54 0.02 0.00 0.00 175.26 173.84 1aoz s SER 261 N -2.46 0.74 0.07 -0.19 1.04 -1.26 -1.43 113.70 110.21 1aoz s SER 261 Ca 0.52 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.75 1aoz s SER 261 Cb -0.10 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 1aoz s SER 261 CO 0.21 0.02 -0.05 -0.31 0.98 0.00 0.00 173.24 174.08 1aoz s TYR 262 N -0.40 0.70 -0.09 5.02 2.02 0.26 -0.68 117.35 124.18 1aoz s TYR 262 Ca -0.00 -0.96 0.02 0.00 -0.37 0.00 0.00 57.07 55.76 1aoz s TYR 262 Cb -0.04 -0.45 0.01 0.00 -0.40 0.00 0.00 41.96 41.09 1aoz s TYR 262 CO -0.00 -0.25 -0.13 -1.12 -1.57 0.00 0.00 175.55 172.48 1aoz s SER 263 N -2.89 2.19 0.03 2.29 0.01 -0.70 -1.14 113.70 113.49 1aoz s SER 263 Ca 0.08 -0.37 0.05 0.00 1.31 0.00 0.00 55.95 57.02 1aoz s SER 263 Cb 0.06 -0.97 -0.03 0.00 0.21 0.00 0.00 66.02 65.28 1aoz s SER 263 CO -0.07 0.01 -0.12 -0.69 0.41 0.00 0.00 173.24 172.79 1aoz s VAL 264 N 0.94 3.27 -0.00 3.43 1.01 -0.45 -1.28 120.40 127.32 1aoz s VAL 264 Ca -0.08 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 60.93 1aoz s VAL 264 Cb -0.15 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 1aoz s VAL 264 CO -0.00 0.35 -0.03 -0.76 0.00 0.00 0.00 175.10 174.65 1aoz s LEU 265 N -1.50 3.34 0.17 3.92 1.02 -0.17 -0.72 118.68 124.75 1aoz s LEU 265 Ca 0.16 -0.07 0.05 0.00 0.02 0.00 0.00 54.13 54.29 1aoz s LEU 265 Cb -0.11 -1.91 -0.05 0.00 0.02 0.00 0.00 46.19 44.15 1aoz s LEU 265 CO 0.07 0.28 -0.09 0.27 0.02 0.00 0.00 176.35 176.91 1aoz s ILE 266 N -1.04 1.22 -0.05 -0.59 -4.36 -0.79 -1.51 121.20 114.09 1aoz s ILE 266 Ca 0.18 -2.08 0.02 0.00 -0.26 0.00 0.00 60.65 58.51 1aoz s ILE 266 Cb -0.11 -1.96 0.02 0.00 1.25 0.00 0.00 42.46 41.65 1aoz s ILE 266 CO 0.09 -0.65 -0.07 -0.89 0.24 0.00 0.00 174.94 173.65 1aoz s THR 267 N -3.30 0.72 -1.48 8.37 2.01 -1.26 -1.09 115.64 119.62 1aoz s THR 267 Ca 0.20 -0.25 -0.08 0.00 0.31 0.00 0.00 61.69 61.86 1aoz s THR 267 Cb 0.03 -0.70 0.02 0.00 0.01 0.00 0.00 72.50 71.85 1aoz s THR 267 CO 0.03 0.26 2.64 0.35 -0.69 0.00 0.00 174.62 177.21 1aoz n THR 268 N 3.85 4.69 -0.89 -0.82 -2.24 -0.12 -4.57 114.28 114.18 1aoz n THR 268 Ca -0.24 -3.42 -0.15 0.00 -2.27 0.00 0.00 64.05 57.97 1aoz n THR 268 Cb 0.52 -2.37 0.20 0.00 -2.10 0.00 0.00 70.33 66.58 1aoz n THR 268 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1aoz n ASP 269 N 2.89 4.01 -4.06 3.42 5.75 -1.26 -1.67 116.55 125.63 1aoz n ASP 269 Ca 0.69 -3.28 -0.17 0.00 -0.01 0.00 0.00 54.79 52.02 1aoz n ASP 269 Cb 0.25 -0.77 0.02 0.00 -1.03 0.00 0.00 41.12 39.59 1aoz n ASP 269 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1aoz n GLN 270 N -0.61 0.84 -1.63 0.11 1.13 -1.26 -5.03 117.38 110.92 1aoz n GLN 270 Ca 0.46 -2.39 -0.44 0.00 -1.94 0.00 0.00 57.00 52.69 1aoz n GLN 270 Cb 1.44 0.11 -0.04 0.00 0.11 0.00 0.00 30.24 31.86 1aoz n GLN 270 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1aoz n ASN 271 N -2.11 3.65 0.00 1.08 2.85 -1.26 -4.87 115.26 114.61 1aoz n ASN 271 Ca 0.03 0.68 0.12 0.00 -0.11 0.00 0.00 54.58 55.30 1aoz n ASN 271 Cb 0.44 -1.49 0.60 0.00 1.24 0.00 0.00 39.78 40.57 1aoz n ASN 271 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1aoz n PRO 272 N 7.78 0.29 -0.26 1.20 -0.02 -1.26 -2.99 135.00 139.75 1aoz n PRO 272 Ca 0.25 0.06 0.09 0.00 -2.02 0.00 0.00 63.50 61.88 1aoz n PRO 272 Cb 0.39 -1.50 0.25 0.00 -0.02 0.00 0.00 33.50 32.62 1aoz n PRO 272 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1aoz n SER 273 N -1.32 2.88 -4.17 2.55 7.64 -1.26 -4.83 113.62 115.11 1aoz n SER 273 Ca 0.11 -1.98 -0.11 0.00 1.01 0.00 0.00 58.87 57.90 1aoz n SER 273 Cb 0.21 -0.34 -0.10 0.00 -1.01 0.00 0.00 64.21 62.97 1aoz n SER 273 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1aoz s GLU 274 N -1.33 0.85 0.22 1.43 -1.05 -1.16 -5.02 118.70 112.64 1aoz s GLU 274 Ca 0.37 -1.35 0.04 0.00 -0.15 0.00 0.00 54.97 53.88 1aoz s GLU 274 Cb 0.19 -0.18 -0.03 0.00 -0.44 0.00 0.00 34.13 33.67 1aoz s GLU 274 CO 0.26 -0.04 0.34 -0.80 0.95 0.00 0.00 175.26 175.97 1aoz s ASN 275 N -3.05 6.31 0.16 0.83 0.01 -1.26 -4.41 114.94 113.52 1aoz s ASN 275 Ca 0.13 0.09 0.06 0.00 -0.71 0.00 0.00 52.86 52.43 1aoz s ASN 275 Cb 0.06 -1.86 -0.04 0.00 0.41 0.00 0.00 41.25 39.81 1aoz s ASN 275 CO -0.04 -0.04 -0.14 -0.31 -1.51 0.00 0.00 177.10 175.06 1aoz s TYR 276 N -1.92 1.51 0.19 2.20 2.02 -0.38 -4.14 117.35 116.83 1aoz s TYR 276 Ca 0.34 -0.60 -0.21 0.00 -0.37 0.00 0.00 57.07 56.24 1aoz s TYR 276 Cb -0.10 -0.75 -0.08 0.00 -0.40 0.00 0.00 41.96 40.63 1aoz s TYR 276 CO 0.29 0.22 0.72 -1.58 -1.57 0.00 0.00 175.55 173.62 1aoz s TRP 277 N -2.65 3.72 -0.16 2.71 0.23 -1.26 -0.43 118.94 121.11 1aoz s TRP 277 Ca 0.16 1.42 0.00 0.00 -2.03 0.00 0.00 56.10 55.65 1aoz s TRP 277 Cb -0.02 -2.63 0.00 0.00 0.03 0.00 0.00 33.47 30.85 1aoz s TRP 277 CO 0.04 0.41 -0.16 0.08 0.96 0.00 0.00 176.95 178.27 1aoz s VAL 278 N -1.39 2.52 -0.12 4.03 1.01 -0.60 -0.74 120.40 125.10 1aoz s VAL 278 Ca 0.40 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1aoz s VAL 278 Cb -0.18 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.15 1aoz s VAL 278 CO 0.22 0.52 -0.20 -0.55 0.00 0.00 0.00 175.10 175.08 1aoz s SER 279 N 0.94 2.85 -0.33 3.32 0.15 -0.61 -2.08 113.70 117.95 1aoz s SER 279 Ca -0.03 -0.53 0.04 0.00 0.70 0.00 0.00 55.95 56.13 1aoz s SER 279 Cb -0.15 -1.31 0.10 0.00 -1.71 0.00 0.00 66.02 62.95 1aoz s SER 279 CO -0.03 0.08 0.04 -0.69 1.20 0.00 0.00 173.24 173.84 1aoz s VAL 280 N 0.71 2.24 0.09 4.45 1.01 -0.26 -1.80 120.40 126.84 1aoz s VAL 280 Ca -0.11 -2.26 0.04 0.00 0.00 0.00 0.00 61.98 59.65 1aoz s VAL 280 Cb -0.16 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1aoz s VAL 280 CO 0.02 -0.55 0.04 -0.83 0.00 0.00 0.00 175.10 173.78 1aoz s GLY 281 N 0.94 1.97 0.25 4.51 0.00 -0.18 -0.89 107.32 113.92 1aoz s GLY 281 Ca 0.09 -1.07 -0.30 0.00 0.00 0.00 0.00 44.72 43.45 1aoz s GLY 281 CO -0.08 -1.05 0.97 -1.59 0.00 0.00 0.00 173.10 171.35 1aoz s THR 282 N -1.35 3.98 0.28 0.90 2.01 -1.26 0.32 115.64 120.52 1aoz s THR 282 Ca 0.28 1.98 0.04 0.00 0.31 0.00 0.00 61.69 64.30 1aoz s THR 282 Cb -0.12 -4.26 -0.03 0.00 0.01 0.00 0.00 72.50 68.10 1aoz s THR 282 CO 0.20 0.46 0.22 -0.13 -0.69 0.00 0.00 174.62 174.68 1aoz s ARG 283 N -1.26 1.54 0.00 4.92 0.52 -0.53 -4.76 118.95 119.38 1aoz s ARG 283 Ca 0.42 -1.87 0.00 0.00 -0.52 0.00 0.00 55.73 53.76 1aoz s ARG 283 Cb -0.27 0.28 0.00 0.00 0.52 0.00 0.00 34.95 35.48 1aoz s ARG 283 CO 0.33 -0.54 0.00 0.00 0.02 0.00 0.00 175.30 175.11 1aoz n ALA 284 N -0.49 0.00 -3.31 2.13 0.00 -0.54 -3.98 120.51 114.32 1aoz n ALA 284 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.35 1aoz n ALA 284 Cb 0.64 -0.12 -0.08 0.00 0.00 0.00 0.00 19.45 19.88 1aoz n ALA 284 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1aoz s ARG 285 N -0.11 0.75 -0.03 0.00 0.52 -1.26 -4.73 118.95 114.09 1aoz s ARG 285 Ca 0.00 -0.03 -0.30 0.00 -0.52 0.00 0.00 55.73 54.88 1aoz s ARG 285 Cb 0.00 0.34 -0.07 0.00 0.52 0.00 0.00 34.95 35.74 1aoz s ARG 285 CO 0.00 -0.21 1.77 -1.58 0.02 0.00 0.00 175.30 175.30 1aoz s HIS 286 N -1.19 1.73 0.24 -0.53 5.65 -1.26 -4.85 115.29 115.08 1aoz s HIS 286 Ca -0.12 -0.02 -0.30 0.00 0.25 0.00 0.00 55.06 54.87 1aoz s HIS 286 Cb -0.04 -4.03 -0.09 0.00 -1.18 0.00 0.00 32.58 27.24 1aoz s HIS 286 CO 0.05 -4.43 1.22 -2.14 -0.65 0.00 0.00 174.74 168.80 1aoz s PRO 287 N 4.23 4.48 0.00 2.88 0.02 -1.26 -4.90 135.00 140.44 1aoz s PRO 287 Ca 0.79 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.78 1aoz s PRO 287 Cb -0.36 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 30.97 1aoz s PRO 287 CO 0.34 -0.07 0.58 -1.71 -0.33 0.00 0.00 177.00 175.81 1aoz n ASN 288 N 1.86 0.64 -4.27 2.53 4.05 -1.26 -5.06 115.26 113.75 1aoz n ASN 288 Ca 0.02 -1.28 -0.32 0.00 0.45 0.00 0.00 54.58 53.45 1aoz n ASN 288 Cb 0.44 0.00 -0.16 0.00 1.23 0.00 0.00 39.78 41.29 1aoz n ASN 288 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1aoz s THR 289 N -0.28 2.41 0.70 -0.44 2.01 -1.26 -5.00 115.64 113.78 1aoz s THR 289 Ca 0.00 -0.89 -0.16 0.00 0.31 0.00 0.00 61.69 60.95 1aoz s THR 289 Cb 0.00 -1.96 -0.03 0.00 0.01 0.00 0.00 72.50 70.52 1aoz s THR 289 CO 0.00 0.54 0.73 -2.65 -0.69 0.00 0.00 174.62 172.55 1aoz n PRO 290 N 3.60 0.45 -2.23 4.92 -0.02 -1.26 -4.81 135.00 135.64 1aoz n PRO 290 Ca -0.19 0.20 -0.33 0.00 -2.02 0.00 0.00 63.50 61.16 1aoz n PRO 290 Cb 0.53 -1.99 -0.01 0.00 -0.02 0.00 0.00 33.50 32.01 1aoz n PRO 290 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1aoz s PRO 291 N -2.90 3.50 0.12 0.52 0.04 -1.26 -4.48 135.00 130.53 1aoz s PRO 291 Ca 0.70 1.28 -0.30 0.00 0.04 0.00 0.00 61.00 62.71 1aoz s PRO 291 Cb -0.36 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.06 1aoz s PRO 291 CO 0.54 -0.67 1.11 0.20 0.04 0.00 0.00 177.00 178.21 1aoz s GLY 292 N -2.46 2.72 0.06 0.56 0.00 -0.06 -4.89 107.32 103.25 1aoz s GLY 292 Ca 0.65 0.78 0.05 0.00 0.00 0.00 0.00 44.72 46.20 1aoz s GLY 292 CO 0.30 1.77 -0.14 1.08 0.00 0.00 0.00 173.10 176.12 1aoz s LEU 293 N 0.28 2.24 0.00 0.66 1.43 -1.26 -1.11 118.68 120.91 1aoz s LEU 293 Ca 0.53 -0.55 -0.06 0.00 -1.03 0.00 0.00 54.13 53.01 1aoz s LEU 293 Cb -0.28 -0.52 0.02 0.00 0.03 0.00 0.00 46.19 45.45 1aoz s LEU 293 CO 0.32 -0.05 0.41 1.07 0.23 0.00 0.00 176.35 178.34 1aoz n THR 294 N 1.52 0.00 -4.84 5.49 5.66 -0.88 -4.88 114.28 116.35 1aoz n THR 294 Ca -0.20 -0.77 -0.30 0.00 -3.05 0.00 0.00 64.05 59.72 1aoz n THR 294 Cb 0.54 0.62 -0.14 0.00 -1.55 0.00 0.00 70.33 69.81 1aoz n THR 294 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1aoz s LEU 295 N 0.00 2.32 -0.45 1.09 1.43 -1.26 -1.56 118.68 120.25 1aoz s LEU 295 Ca 0.12 -0.52 -0.16 0.00 -1.03 0.00 0.00 54.13 52.54 1aoz s LEU 295 Cb -0.02 -1.37 0.04 0.00 0.03 0.00 0.00 46.19 44.87 1aoz s LEU 295 CO 0.09 0.26 0.42 -0.22 0.23 0.00 0.00 176.35 177.14 1aoz s LEU 296 N -1.27 5.17 -0.47 1.79 2.96 0.43 -2.14 118.68 125.15 1aoz s LEU 296 Ca 0.13 -0.96 -0.18 0.00 -0.22 0.00 0.00 54.13 52.89 1aoz s LEU 296 Cb -0.10 -2.28 0.05 0.00 0.50 0.00 0.00 46.19 44.36 1aoz s LEU 296 CO 0.03 -0.62 0.52 0.21 -1.32 0.00 0.00 176.35 175.17 1aoz s ASN 297 N 2.15 6.20 -0.41 3.68 3.04 0.43 -1.25 114.94 128.78 1aoz s ASN 297 Ca 0.08 -0.89 -0.29 0.00 0.04 0.00 0.00 52.86 51.81 1aoz s ASN 297 Cb -0.20 -2.25 0.01 0.00 -1.54 0.00 0.00 41.25 37.27 1aoz s ASN 297 CO 0.10 -0.74 1.37 -0.31 -3.04 0.00 0.00 177.10 174.49 1aoz s TYR 298 N 2.28 2.47 0.30 0.43 1.51 -1.26 -0.64 117.35 122.44 1aoz s TYR 298 Ca 0.12 0.70 -0.29 0.00 -1.01 0.00 0.00 57.07 56.59 1aoz s TYR 298 Cb -0.19 -4.28 -0.10 0.00 -0.11 0.00 0.00 41.96 37.28 1aoz s TYR 298 CO 0.12 -1.88 1.29 -0.51 -1.11 0.00 0.00 175.55 173.45 1aoz s LEU 299 N 5.22 4.44 -0.06 -1.29 1.43 0.05 -1.45 118.68 127.03 1aoz s LEU 299 Ca 0.59 2.58 0.14 0.00 -1.03 0.00 0.00 54.13 56.42 1aoz s LEU 299 Cb -0.13 -3.64 0.50 0.00 0.03 0.00 0.00 46.19 42.95 1aoz s LEU 299 CO 0.32 -0.49 1.39 -0.81 0.23 0.00 0.00 176.35 176.99 1aoz n PRO 300 N 1.23 2.73 -1.86 1.29 -0.04 -1.26 -4.55 135.00 132.54 1aoz n PRO 300 Ca 0.01 -2.00 -0.41 0.00 -0.04 0.00 0.00 63.50 61.06 1aoz n PRO 300 Cb 0.42 -1.62 -0.00 0.00 -0.04 0.00 0.00 33.50 32.26 1aoz n PRO 300 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1aoz s ASN 301 N -0.85 6.36 0.36 3.54 0.01 -0.53 -4.89 114.94 118.94 1aoz s ASN 301 Ca 0.36 2.97 -0.28 0.00 -0.71 0.00 0.00 52.86 55.20 1aoz s ASN 301 Cb 0.22 -2.66 -0.11 0.00 0.41 0.00 0.00 41.25 39.10 1aoz s ASN 301 CO 0.20 -0.85 1.45 -0.24 -1.51 0.00 0.00 177.10 176.14 1aoz n SER 302 N 0.43 3.54 0.24 -1.22 2.88 -1.26 -4.82 113.62 113.42 1aoz n SER 302 Ca 0.01 1.22 0.16 0.00 -1.33 0.00 0.00 58.87 58.94 1aoz n SER 302 Cb 0.40 -1.59 0.71 0.00 -0.75 0.00 0.00 64.21 62.98 1aoz n SER 302 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1aoz h VAL 303 N 2.87 0.00 -0.10 2.46 3.04 -1.95 -1.59 116.25 120.98 1aoz h VAL 303 Ca -0.49 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 64.85 1aoz h VAL 303 Cb 1.25 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 31.79 1aoz h VAL 303 CO 0.65 0.00 0.00 -1.54 -1.01 0.00 0.00 177.57 175.67 1aoz n SER 304 N -2.84 0.80 -4.50 3.17 3.41 -1.26 -4.61 113.62 107.80 1aoz n SER 304 Ca 0.00 -1.65 -0.43 0.00 -0.26 0.00 0.00 58.87 56.53 1aoz n SER 304 Cb 0.24 -0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 64.09 1aoz n SER 304 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1aoz s LYS 305 N -1.88 3.23 0.51 4.33 2.20 -0.60 -5.01 119.74 122.52 1aoz s LYS 305 Ca 0.26 -0.50 -0.18 0.00 -0.36 0.00 0.00 55.97 55.19 1aoz s LYS 305 Cb 0.13 -4.13 -0.08 0.00 -1.51 0.00 0.00 37.83 32.24 1aoz s LYS 305 CO 0.20 -1.66 1.00 -0.51 -0.36 0.00 0.00 175.35 174.03 1aoz s LEU 306 N 4.10 3.70 0.68 5.43 1.02 -1.26 -4.37 118.68 127.96 1aoz s LEU 306 Ca 0.27 1.71 -0.17 0.00 0.02 0.00 0.00 54.13 55.96 1aoz s LEU 306 Cb -0.14 -4.53 0.01 0.00 0.02 0.00 0.00 46.19 41.55 1aoz s LEU 306 CO 0.15 -0.70 1.24 -2.84 0.02 0.00 0.00 176.35 174.22 1aoz s PRO 307 N -3.75 2.44 0.34 1.29 0.02 -1.26 -4.76 135.00 129.32 1aoz s PRO 307 Ca 0.62 1.89 0.12 0.00 0.02 0.00 0.00 61.00 63.65 1aoz s PRO 307 Cb -0.12 -1.85 0.61 0.00 0.02 0.00 0.00 34.50 33.16 1aoz s PRO 307 CO 0.27 -1.64 1.76 1.79 -0.33 0.00 0.00 177.00 178.85 1aoz h THR 308 N 0.23 1.31 -2.31 0.99 1.35 -1.95 -3.44 112.91 109.09 1aoz h THR 308 Ca -0.49 -1.54 -0.50 0.00 -0.55 0.00 0.00 66.41 63.33 1aoz h THR 308 Cb 1.31 1.83 -0.03 0.00 -1.73 0.00 0.00 68.15 69.54 1aoz h THR 308 CO 0.52 0.44 -0.47 -0.44 -0.25 0.00 0.00 175.52 175.31 1aoz s SER 309 N -6.89 6.06 1.04 5.36 0.01 -1.26 -5.12 113.70 112.90 1aoz s SER 309 Ca -0.02 -0.01 -0.15 0.00 1.31 0.00 0.00 55.95 57.08 1aoz s SER 309 Cb 0.14 -1.72 0.11 0.00 0.21 0.00 0.00 66.02 64.75 1aoz s SER 309 CO 0.73 -0.03 0.40 -2.65 0.41 0.00 0.00 173.24 172.11 1aoz n PRO 310 N -1.10 -1.10 -1.68 12.44 -0.02 -1.26 -4.93 135.00 137.36 1aoz n PRO 310 Ca -0.08 -0.29 -0.39 0.00 -2.02 0.00 0.00 63.50 60.72 1aoz n PRO 310 Cb 0.56 -1.89 0.04 0.00 -0.02 0.00 0.00 33.50 32.20 1aoz n PRO 310 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1aoz n PRO 311 N -2.52 1.40 -1.68 0.52 -0.02 -1.26 -4.89 135.00 126.55 1aoz n PRO 311 Ca 0.04 0.52 -0.45 0.00 -2.02 0.00 0.00 63.50 61.59 1aoz n PRO 311 Cb 0.57 -2.35 -0.04 0.00 -0.02 0.00 0.00 33.50 31.66 1aoz n PRO 311 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1aoz n PRO 312 N -0.77 2.30 -2.09 0.52 -0.04 -1.26 -4.90 135.00 128.76 1aoz n PRO 312 Ca 0.11 0.83 -0.42 0.00 -0.04 0.00 0.00 63.50 63.98 1aoz n PRO 312 Cb 0.44 -2.63 -0.03 0.00 -0.04 0.00 0.00 33.50 31.25 1aoz n PRO 312 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1aoz s GLN 313 N 1.37 4.25 0.24 0.54 2.00 -1.26 -4.90 119.66 121.90 1aoz s GLN 313 Ca 0.80 2.14 -0.30 0.00 -2.00 0.00 0.00 55.36 56.00 1aoz s GLN 313 Cb -0.64 -3.52 -0.10 0.00 0.80 0.00 0.00 33.01 29.56 1aoz s GLN 313 CO 0.38 -0.62 1.40 0.99 -0.50 0.00 0.00 175.29 176.94 1aoz s THR 314 N 2.25 2.78 0.55 -0.34 2.01 -1.26 -4.97 115.64 116.66 1aoz s THR 314 Ca 0.68 0.66 -0.20 0.00 0.31 0.00 0.00 61.69 63.15 1aoz s THR 314 Cb -0.36 -3.42 -0.07 0.00 0.01 0.00 0.00 72.50 68.65 1aoz s THR 314 CO 0.29 0.11 0.81 -2.65 -0.69 0.00 0.00 174.62 172.50 1aoz n PRO 315 N 2.28 0.85 -1.68 4.92 -0.02 -1.26 -4.85 135.00 135.23 1aoz n PRO 315 Ca 0.06 0.32 -0.56 0.00 -2.02 0.00 0.00 63.50 61.31 1aoz n PRO 315 Cb 0.41 -1.96 -0.07 0.00 -0.02 0.00 0.00 33.50 31.86 1aoz n PRO 315 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aoz n ALA 316 N -1.44 0.12 -0.37 3.55 0.00 -1.26 -4.85 120.51 116.26 1aoz n ALA 316 Ca 0.12 0.32 0.38 0.00 0.00 0.00 0.00 53.44 54.26 1aoz n ALA 316 Cb 0.45 -2.30 0.75 0.00 0.00 0.00 0.00 19.45 18.35 1aoz n ALA 316 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1aoz h TRP 317 N 8.08 0.00 -0.31 0.00 5.08 -1.89 -1.88 115.95 125.04 1aoz h TRP 317 Ca -0.44 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.53 1aoz h TRP 317 Cb 1.31 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.47 1aoz h TRP 317 CO 0.81 0.00 0.00 -0.40 -1.28 0.00 0.00 178.44 177.57 1aoz n ASP 318 N -4.03 3.62 -4.46 0.11 5.75 -1.26 -1.46 116.55 114.82 1aoz n ASP 318 Ca 0.28 -2.64 -0.44 0.00 -0.01 0.00 0.00 54.79 51.98 1aoz n ASP 318 Cb 1.40 -0.44 -0.00 0.00 -1.03 0.00 0.00 41.12 41.05 1aoz n ASP 318 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1aoz s ASP 319 N -1.55 7.07 0.46 -1.12 -1.08 -0.71 -4.75 116.67 114.99 1aoz s ASP 319 Ca 0.36 -2.99 0.21 0.00 -0.52 0.00 0.00 52.55 49.61 1aoz s ASP 319 Cb 0.27 -2.39 1.12 0.00 -1.46 0.00 0.00 42.92 40.46 1aoz s ASP 319 CO 0.12 -0.73 1.96 -0.26 0.52 0.00 0.00 175.17 176.78 1aoz h PHE 320 N 7.20 0.00 -0.69 -5.34 0.04 -1.87 -2.09 116.94 114.18 1aoz h PHE 320 Ca 0.30 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.01 1aoz h PHE 320 Cb 0.88 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.00 1aoz h PHE 320 CO 1.08 0.21 0.21 -0.44 -0.60 0.00 0.00 178.31 178.77 1aoz h ASP 321 N 0.00 0.99 -0.09 2.17 3.32 -1.99 0.15 116.42 120.97 1aoz h ASP 321 Ca -0.00 -0.18 -0.13 0.00 0.02 0.00 0.00 57.03 56.74 1aoz h ASP 321 Cb 0.48 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1aoz h ASP 321 CO 0.03 0.93 -0.36 -0.09 -1.72 0.00 0.00 179.24 178.02 1aoz h ARG 322 N 1.02 0.59 -0.45 3.56 2.43 -1.79 -1.36 114.38 118.37 1aoz h ARG 322 Ca 0.22 -0.28 -0.11 0.00 -0.81 0.00 0.00 59.98 59.00 1aoz h ARG 322 Cb 0.30 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1aoz h ARG 322 CO -0.01 0.87 -0.13 0.77 -1.51 0.00 0.00 179.97 179.96 1aoz h SER 323 N 0.50 0.90 0.03 -3.80 0.02 -0.94 -2.55 113.55 107.71 1aoz h SER 323 Ca 0.05 -0.37 -0.11 0.00 -0.84 0.00 0.00 61.79 60.52 1aoz h SER 323 Cb 0.86 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1aoz h SER 323 CO 0.07 1.07 -0.33 0.11 -1.14 0.00 0.00 176.83 176.61 1aoz h LYS 324 N 0.73 0.43 -0.68 3.45 1.57 -0.60 -1.42 116.57 120.05 1aoz h LYS 324 Ca 0.11 -0.19 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1aoz h LYS 324 Cb 0.68 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.95 1aoz h LYS 324 CO 0.05 0.72 0.45 -0.97 -0.57 0.00 0.00 179.45 179.13 1aoz h ASN 325 N 0.37 0.75 0.33 0.86 -0.00 -1.00 0.28 115.58 117.17 1aoz h ASN 325 Ca 0.04 -0.02 -0.02 0.00 -0.00 0.00 0.00 56.30 56.31 1aoz h ASN 325 Cb 0.77 -0.18 0.00 0.00 -0.00 0.00 0.00 38.32 38.91 1aoz h ASN 325 CO 0.06 0.53 -0.16 0.15 -0.00 0.00 0.00 177.43 178.01 1aoz h PHE 326 N 0.88 -0.41 -0.91 0.67 3.57 -1.11 -3.33 116.94 116.29 1aoz h PHE 326 Ca 0.26 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.91 1aoz h PHE 326 Cb -0.04 0.14 -0.07 0.00 2.79 0.00 0.00 35.95 38.76 1aoz h PHE 326 CO -0.00 -0.26 0.59 1.15 -2.23 0.00 0.00 178.31 177.56 1aoz h THR 327 N -1.01 0.77 0.00 4.41 2.02 -1.08 -1.72 112.91 116.31 1aoz h THR 327 Ca -0.05 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1aoz h THR 327 Cb 0.34 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1aoz h THR 327 CO 0.07 0.11 -0.03 1.88 0.37 0.00 0.00 175.52 177.93 1aoz h TYR 328 N 0.63 0.00 0.00 3.16 -1.99 -1.11 -3.04 116.97 114.61 1aoz h TYR 328 Ca 0.47 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.20 1aoz h TYR 328 Cb 0.87 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.60 1aoz h TYR 328 CO -0.00 0.03 0.00 -2.13 -0.00 0.00 0.00 178.16 176.06 1aoz n ARG 329 N -3.12 0.51 -3.02 4.88 0.63 -0.65 -4.78 116.66 111.12 1aoz n ARG 329 Ca 0.02 0.04 -0.41 0.00 -0.92 0.00 0.00 57.85 56.58 1aoz n ARG 329 Cb 0.44 -1.50 -0.06 0.00 0.45 0.00 0.00 32.46 31.80 1aoz n ARG 329 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1aoz s ILE 330 N -2.33 4.88 0.15 5.15 1.01 -1.15 -5.01 121.20 123.91 1aoz s ILE 330 Ca 0.28 1.12 0.06 0.00 0.00 0.00 0.00 60.65 62.11 1aoz s ILE 330 Cb 0.16 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 1aoz s ILE 330 CO 0.32 -0.13 -0.12 0.42 0.00 0.00 0.00 174.94 175.43 1aoz s THR 331 N 2.74 1.33 0.45 2.92 -4.23 -1.26 -4.40 115.64 113.19 1aoz s THR 331 Ca 0.29 -1.99 -0.24 0.00 -1.18 0.00 0.00 61.69 58.58 1aoz s THR 331 Cb -0.15 -1.79 -0.07 0.00 1.34 0.00 0.00 72.50 71.83 1aoz s THR 331 CO 0.11 -0.62 1.21 0.00 -0.54 0.00 0.00 174.62 174.78 1aoz s ALA 332 N -2.90 3.04 0.46 3.99 0.00 0.09 -1.08 121.76 125.38 1aoz s ALA 332 Ca 0.15 1.04 -0.25 0.00 0.00 0.00 0.00 51.96 52.90 1aoz s ALA 332 Cb -0.00 -3.42 -0.08 0.00 0.00 0.00 0.00 23.12 19.62 1aoz s ALA 332 CO 0.03 -0.74 1.41 0.00 0.00 0.00 0.00 175.76 176.45 1aoz n ALA 333 N -0.33 1.90 -1.68 0.00 0.00 -0.96 -3.92 120.51 115.52 1aoz n ALA 333 Ca 0.06 0.23 -0.50 0.00 0.00 0.00 0.00 53.44 53.24 1aoz n ALA 333 Cb 0.47 -2.38 -0.05 0.00 0.00 0.00 0.00 19.45 17.49 1aoz n ALA 333 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1aoz n MET 334 N -0.30 1.98 0.00 0.00 1.56 -1.26 -1.10 117.12 118.00 1aoz n MET 334 Ca 0.06 0.72 0.00 0.00 -0.27 0.00 0.00 57.70 58.21 1aoz n MET 334 Cb 0.42 -2.56 0.00 0.00 2.15 0.00 0.00 33.22 33.22 1aoz n MET 334 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1aoz n GLY 335 N 4.47 0.65 3.81 -5.12 0.00 -1.26 -5.10 105.19 102.64 1aoz n GLY 335 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 1aoz n GLY 335 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1aoz s SER 336 N -2.08 5.04 0.26 1.61 0.01 -0.26 -5.00 113.70 113.29 1aoz s SER 336 Ca 0.00 1.58 -0.31 0.00 1.31 0.00 0.00 55.95 58.53 1aoz s SER 336 Cb 0.00 -2.40 -0.12 0.00 0.21 0.00 0.00 66.02 63.71 1aoz s SER 336 CO 0.00 -1.66 1.61 -2.65 0.41 0.00 0.00 173.24 170.96 1aoz n PRO 337 N -3.26 2.65 -3.76 12.44 -0.02 -1.26 -5.01 135.00 136.78 1aoz n PRO 337 Ca 0.08 0.95 -0.32 0.00 -2.02 0.00 0.00 63.50 62.19 1aoz n PRO 337 Cb 0.54 -2.74 -0.05 0.00 -0.02 0.00 0.00 33.50 31.24 1aoz n PRO 337 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1aoz s LYS 338 N -0.05 3.56 0.93 -0.52 1.02 -1.26 -4.95 119.74 118.46 1aoz s LYS 338 Ca 0.67 -0.20 -0.10 0.00 0.02 0.00 0.00 55.97 56.36 1aoz s LYS 338 Cb -0.52 -2.93 0.15 0.00 -0.52 0.00 0.00 37.83 34.02 1aoz s LYS 338 CO 0.44 0.53 1.14 -1.25 -0.92 0.00 0.00 175.35 175.30 1aoz s PRO 339 N -2.53 0.90 0.51 -1.68 0.04 -1.26 -5.01 135.00 125.97 1aoz s PRO 339 Ca 0.38 1.54 -0.22 0.00 0.04 0.00 0.00 61.00 62.73 1aoz s PRO 339 Cb -0.13 -1.72 -0.07 0.00 0.04 0.00 0.00 34.50 32.63 1aoz s PRO 339 CO 0.25 -2.71 1.14 -2.30 0.04 0.00 0.00 177.00 173.43 1aoz n PRO 340 N -4.29 1.44 0.09 0.56 -0.02 -1.26 -4.98 135.00 126.54 1aoz n PRO 340 Ca 0.12 0.53 -0.21 0.00 -2.02 0.00 0.00 63.50 61.92 1aoz n PRO 340 Cb 0.52 -2.29 -0.15 0.00 -0.02 0.00 0.00 33.50 31.56 1aoz n PRO 340 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1aoz h VAL 341 N 1.33 1.12 -2.70 -1.45 -1.51 -1.97 -3.46 116.25 107.62 1aoz h VAL 341 Ca -0.48 -2.69 -0.54 0.00 -1.23 0.00 0.00 66.70 61.76 1aoz h VAL 341 Cb 1.33 2.82 -0.02 0.00 -2.13 0.00 0.00 31.29 33.29 1aoz h VAL 341 CO 0.56 0.84 -0.41 -1.59 -1.23 0.00 0.00 177.57 175.73 1aoz s LYS 342 N -2.60 3.47 0.30 5.19 0.00 -1.26 -5.12 119.74 119.72 1aoz s LYS 342 Ca -0.11 -0.48 0.08 0.00 0.00 0.00 0.00 55.97 55.45 1aoz s LYS 342 Cb 0.06 -2.92 -0.03 0.00 0.00 0.00 0.00 37.83 34.94 1aoz s LYS 342 CO 0.87 0.48 0.20 -0.59 0.00 0.00 0.00 175.35 176.31 1aoz s PHE 343 N -1.78 2.92 -0.05 1.78 -0.71 -1.26 -4.92 117.98 113.96 1aoz s PHE 343 Ca 0.36 -0.24 0.08 0.00 -1.04 0.00 0.00 56.93 56.10 1aoz s PHE 343 Cb -0.11 -1.57 -0.13 0.00 -1.21 0.00 0.00 43.02 40.00 1aoz s PHE 343 CO 0.29 0.37 0.20 0.09 -1.34 0.00 0.00 175.22 174.83 1aoz n ASN 344 N -1.22 2.79 -3.75 1.98 4.13 0.01 -4.98 115.26 114.22 1aoz n ASN 344 Ca -0.05 -0.07 -0.13 0.00 1.68 0.00 0.00 54.58 56.01 1aoz n ASN 344 Cb 0.59 1.34 -0.10 0.00 -1.54 0.00 0.00 39.78 40.08 1aoz n ASN 344 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1aoz s ARG 345 N -2.50 0.52 -0.05 3.52 6.06 -0.73 -4.96 118.95 120.82 1aoz s ARG 345 Ca -0.02 0.23 0.01 0.00 -2.50 0.00 0.00 55.73 53.44 1aoz s ARG 345 Cb 0.05 0.24 0.02 0.00 0.06 0.00 0.00 34.95 35.33 1aoz s ARG 345 CO 0.35 -0.10 -0.04 0.50 -2.50 0.00 0.00 175.30 173.51 1aoz s ARG 346 N -0.41 0.81 0.06 5.12 3.52 -1.26 -0.41 118.95 126.38 1aoz s ARG 346 Ca -0.05 -0.07 0.09 0.00 -0.13 0.00 0.00 55.73 55.57 1aoz s ARG 346 Cb -0.03 -0.89 -0.03 0.00 -1.56 0.00 0.00 34.95 32.44 1aoz s ARG 346 CO 0.02 -0.13 -0.25 0.42 -0.81 0.00 0.00 175.30 174.55 1aoz s ILE 347 N 1.13 2.06 -0.14 4.11 1.01 -0.34 -4.94 121.20 124.09 1aoz s ILE 347 Ca -0.08 -1.41 0.02 0.00 0.00 0.00 0.00 60.65 59.19 1aoz s ILE 347 Cb -0.14 -1.77 0.01 0.00 0.01 0.00 0.00 42.46 40.56 1aoz s ILE 347 CO -0.01 0.29 -0.20 -0.36 0.00 0.00 0.00 174.94 174.66 1aoz s PHE 348 N -0.84 2.69 -0.19 3.97 0.40 -0.43 -1.25 117.98 122.32 1aoz s PHE 348 Ca 0.11 -1.26 0.00 0.00 -0.60 0.00 0.00 56.93 55.19 1aoz s PHE 348 Cb -0.10 -1.83 0.04 0.00 0.51 0.00 0.00 43.02 41.65 1aoz s PHE 348 CO 0.03 -0.57 -0.09 -0.51 0.70 0.00 0.00 175.22 174.78 1aoz s LEU 349 N 0.79 2.14 -0.16 -0.37 1.43 -0.70 -3.69 118.68 118.12 1aoz s LEU 349 Ca -0.07 -0.86 -0.18 0.00 -1.03 0.00 0.00 54.13 51.99 1aoz s LEU 349 Cb -0.16 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.88 1aoz s LEU 349 CO -0.01 -0.16 0.50 -0.22 0.23 0.00 0.00 176.35 176.68 1aoz s LEU 350 N 1.46 4.21 -0.39 1.79 2.96 -1.26 -0.81 118.68 126.64 1aoz s LEU 350 Ca -0.01 0.74 -0.15 0.00 -0.22 0.00 0.00 54.13 54.49 1aoz s LEU 350 Cb -0.16 -2.70 0.01 0.00 0.50 0.00 0.00 46.19 43.84 1aoz s LEU 350 CO -0.08 -0.09 0.29 0.20 -1.32 0.00 0.00 176.35 175.35 1aoz s ASN 351 N 0.89 6.10 0.08 3.68 0.02 0.10 -1.71 114.94 124.10 1aoz s ASN 351 Ca 0.25 -0.75 0.04 0.00 -1.02 0.00 0.00 52.86 51.38 1aoz s ASN 351 Cb -0.15 -2.16 -0.03 0.00 0.02 0.00 0.00 41.25 38.93 1aoz s ASN 351 CO 0.10 -0.40 -0.11 0.42 0.02 0.00 0.00 177.10 177.13 1aoz s THR 352 N 1.72 0.93 -0.05 1.60 -4.23 -0.74 -3.63 115.64 111.25 1aoz s THR 352 Ca 0.06 -1.40 -0.15 0.00 -1.18 0.00 0.00 61.69 59.01 1aoz s THR 352 Cb -0.18 -1.10 -0.05 0.00 1.34 0.00 0.00 72.50 72.50 1aoz s THR 352 CO 0.10 -0.40 0.41 -1.58 -0.54 0.00 0.00 174.62 172.61 1aoz s GLN 353 N -2.15 4.05 0.23 3.99 0.74 -1.26 -0.89 119.66 124.36 1aoz s GLN 353 Ca -0.00 0.38 0.00 0.00 0.05 0.00 0.00 55.36 55.79 1aoz s GLN 353 Cb -0.07 -3.29 -0.05 0.00 1.10 0.00 0.00 33.01 30.70 1aoz s GLN 353 CO 0.01 0.52 0.10 -0.80 -0.55 0.00 0.00 175.29 174.58 1aoz s ASN 354 N -0.52 0.76 -0.34 6.67 -0.87 0.11 -4.25 114.94 116.49 1aoz s ASN 354 Ca 0.23 -1.37 0.01 0.00 -1.57 0.00 0.00 52.86 50.16 1aoz s ASN 354 Cb -0.16 0.25 0.10 0.00 -0.02 0.00 0.00 41.25 41.43 1aoz s ASN 354 CO 0.11 -0.77 0.10 -0.69 -2.57 0.00 0.00 177.10 173.29 1aoz s VAL 355 N -3.92 1.42 -0.24 1.60 1.01 -1.26 -0.24 120.40 118.78 1aoz s VAL 355 Ca 0.37 -1.86 -0.08 0.00 0.00 0.00 0.00 61.98 60.41 1aoz s VAL 355 Cb 0.07 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1aoz s VAL 355 CO 0.12 -0.67 0.10 -0.63 0.00 0.00 0.00 175.10 174.02 1aoz s ILE 356 N 1.22 4.77 -1.65 2.22 1.01 0.19 -4.59 121.20 124.38 1aoz s ILE 356 Ca 0.11 -0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.62 1aoz s ILE 356 Cb -0.19 -3.22 0.11 0.00 0.01 0.00 0.00 42.46 39.17 1aoz s ILE 356 CO -0.17 0.35 0.47 -3.20 0.00 0.00 0.00 174.94 172.39 1aoz n ASN 357 N 4.50 -1.27 0.00 3.58 5.15 -1.26 -0.65 115.26 125.31 1aoz n ASN 357 Ca -0.16 -1.14 0.00 0.00 -0.60 0.00 0.00 54.58 52.69 1aoz n ASN 357 Cb 0.52 -2.24 0.00 0.00 -0.53 0.00 0.00 39.78 37.53 1aoz n ASN 357 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1aoz n GLY 358 N -1.73 2.89 3.77 8.20 0.00 -1.26 -5.03 105.19 112.02 1aoz n GLY 358 Ca -0.09 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 1aoz n GLY 358 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aoz s TYR 359 N -1.97 3.93 -0.13 1.61 2.02 0.18 -4.88 117.35 118.10 1aoz s TYR 359 Ca 0.00 1.78 -0.24 0.00 -0.37 0.00 0.00 57.07 58.23 1aoz s TYR 359 Cb 0.00 -2.88 -0.02 0.00 -0.40 0.00 0.00 41.96 38.66 1aoz s TYR 359 CO 0.00 0.46 0.77 0.08 -1.57 0.00 0.00 175.55 175.29 1aoz s VAL 360 N -1.21 4.95 0.17 0.71 1.01 -1.26 0.58 120.40 125.35 1aoz s VAL 360 Ca 0.40 1.53 0.02 0.00 0.00 0.00 0.00 61.98 63.93 1aoz s VAL 360 Cb -0.24 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 1aoz s VAL 360 CO 0.29 0.12 -0.01 -0.54 0.00 0.00 0.00 175.10 174.96 1aoz s LYS 361 N 1.60 1.10 -0.08 2.72 -0.14 0.67 -4.89 119.74 120.72 1aoz s LYS 361 Ca 0.37 -1.52 -0.03 0.00 -1.36 0.00 0.00 55.97 53.43 1aoz s LYS 361 Cb -0.17 -0.29 -0.04 0.00 -1.68 0.00 0.00 37.83 35.66 1aoz s LYS 361 CO 0.15 -0.12 0.08 -1.58 -0.76 0.00 0.00 175.35 173.12 1aoz s TRP 362 N -3.64 3.36 0.14 3.18 0.52 -0.20 0.04 118.94 122.34 1aoz s TRP 362 Ca 0.23 0.32 0.07 0.00 0.02 0.00 0.00 56.10 56.74 1aoz s TRP 362 Cb 0.06 -1.83 -0.04 0.00 -1.15 0.00 0.00 33.47 30.51 1aoz s TRP 362 CO 0.03 0.59 -0.15 0.00 0.02 0.00 0.00 176.95 177.45 1aoz s ALA 363 N -1.03 1.64 -0.18 0.98 0.00 -0.07 -3.95 121.76 119.16 1aoz s ALA 363 Ca 0.17 -1.36 0.01 0.00 0.00 0.00 0.00 51.96 50.78 1aoz s ALA 363 Cb -0.12 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 22.93 1aoz s ALA 363 CO 0.06 0.13 -0.17 0.42 0.00 0.00 0.00 175.76 176.21 1aoz s ILE 364 N -2.16 1.91 -1.68 0.00 -1.09 -0.29 -1.79 121.20 116.10 1aoz s ILE 364 Ca 0.11 -0.94 -0.12 0.00 -2.23 0.00 0.00 60.65 57.47 1aoz s ILE 364 Cb -0.05 -1.79 0.11 0.00 -1.58 0.00 0.00 42.46 39.15 1aoz s ILE 364 CO 0.04 0.43 0.41 0.59 -1.23 0.00 0.00 174.94 175.17 1aoz n ASN 365 N 4.65 -0.97 -0.83 3.58 3.02 -0.69 -1.54 115.26 122.47 1aoz n ASN 365 Ca -0.19 -1.19 -0.11 0.00 -0.03 0.00 0.00 54.58 53.07 1aoz n ASN 365 Cb 0.49 -1.99 -0.05 0.00 -0.61 0.00 0.00 39.78 37.62 1aoz n ASN 365 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1aoz n ASP 366 N -2.71 -4.86 -4.25 6.41 9.92 -1.26 -4.86 116.55 114.94 1aoz n ASP 366 Ca -0.09 0.27 -0.33 0.00 -0.53 0.00 0.00 54.79 54.10 1aoz n ASP 366 Cb 0.57 -3.31 -0.15 0.00 -0.64 0.00 0.00 41.12 37.59 1aoz n ASP 366 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1aoz s VAL 367 N -2.22 2.64 -0.25 2.53 1.01 -0.59 -1.17 120.40 122.36 1aoz s VAL 367 Ca 0.00 -0.77 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 1aoz s VAL 367 Cb 0.00 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1aoz s VAL 367 CO 0.00 0.51 0.14 -0.55 0.00 0.00 0.00 175.10 175.20 1aoz s SER 368 N 0.89 5.83 0.10 3.32 0.15 0.23 -1.14 113.70 123.08 1aoz s SER 368 Ca -0.04 -0.00 -0.31 0.00 0.70 0.00 0.00 55.95 56.30 1aoz s SER 368 Cb -0.15 -2.06 -0.07 0.00 -1.71 0.00 0.00 66.02 62.03 1aoz s SER 368 CO -0.01 0.01 1.37 -0.22 1.20 0.00 0.00 173.24 175.59 1aoz s LEU 369 N 1.36 4.37 -0.21 3.45 2.96 -1.04 -0.82 118.68 128.74 1aoz s LEU 369 Ca 0.07 2.27 0.01 0.00 -0.22 0.00 0.00 54.13 56.26 1aoz s LEU 369 Cb -0.15 -3.58 0.05 0.00 0.50 0.00 0.00 46.19 43.01 1aoz s LEU 369 CO 0.06 -0.64 -0.10 0.00 -1.32 0.00 0.00 176.35 174.36 1aoz s ALA 370 N 1.23 2.04 0.25 5.97 0.00 -0.19 -4.26 121.76 126.79 1aoz s ALA 370 Ca 0.64 -1.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.04 1aoz s ALA 370 Cb -0.36 -1.32 -0.09 0.00 0.00 0.00 0.00 23.12 21.35 1aoz s ALA 370 CO 0.30 -0.89 1.16 -0.51 0.00 0.00 0.00 175.76 175.82 1aoz s LEU 371 N 1.37 4.50 0.61 0.00 1.43 -1.26 -4.47 118.68 120.86 1aoz s LEU 371 Ca -0.02 2.30 -0.12 0.00 -1.03 0.00 0.00 54.13 55.26 1aoz s LEU 371 Cb -0.17 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 1aoz s LEU 371 CO -0.08 -0.27 1.03 -2.16 0.23 0.00 0.00 176.35 175.10 1aoz s PRO 372 N -1.03 3.54 0.52 1.29 0.04 -1.26 -4.97 135.00 133.13 1aoz s PRO 372 Ca 0.48 0.85 0.34 0.00 0.04 0.00 0.00 61.00 62.71 1aoz s PRO 372 Cb -0.33 -2.07 1.49 0.00 0.04 0.00 0.00 34.50 33.62 1aoz s PRO 372 CO 0.41 -0.61 2.00 -1.00 0.04 0.00 0.00 177.00 177.83 1aoz h PRO 373 N -0.09 0.00 -5.68 0.56 0.13 -1.94 -3.43 132.00 121.55 1aoz h PRO 373 Ca -0.45 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.10 1aoz h PRO 373 Cb 1.19 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.24 1aoz h PRO 373 CO 0.61 0.00 -0.14 0.99 -0.23 0.00 0.00 178.00 179.22 1aoz s THR 374 N -3.69 5.19 0.05 1.56 2.01 -1.26 -4.15 115.64 115.35 1aoz s THR 374 Ca 0.00 0.91 -0.30 0.00 0.31 0.00 0.00 61.69 62.61 1aoz s THR 374 Cb 0.10 -3.80 -0.08 0.00 0.01 0.00 0.00 72.50 68.72 1aoz s THR 374 CO 0.48 0.31 1.74 -2.16 -0.69 0.00 0.00 174.62 174.30 1aoz s PRO 375 N 0.78 4.17 0.24 4.92 0.04 -1.26 -4.85 135.00 139.04 1aoz s PRO 375 Ca 0.25 2.40 -0.05 0.00 0.04 0.00 0.00 61.00 63.63 1aoz s PRO 375 Cb -0.15 -3.77 0.46 0.00 0.04 0.00 0.00 34.50 31.08 1aoz s PRO 375 CO 0.10 -0.81 1.68 1.88 0.04 0.00 0.00 177.00 179.89 1aoz h TYR 376 N 8.98 0.24 -0.48 0.56 0.05 -1.37 -1.10 116.97 123.86 1aoz h TYR 376 Ca -0.44 0.04 0.04 0.00 0.05 0.00 0.00 58.73 58.42 1aoz h TYR 376 Cb 1.21 0.01 -0.04 0.00 1.01 0.00 0.00 36.73 38.91 1aoz h TYR 376 CO 0.83 -0.10 0.25 1.25 -1.05 0.00 0.00 178.16 179.34 1aoz h LEU 377 N 0.25 0.37 -0.40 3.88 5.85 -1.54 0.53 115.31 124.24 1aoz h LEU 377 Ca 0.41 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 59.10 1aoz h LEU 377 Cb 0.71 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1aoz h LEU 377 CO -0.52 0.26 0.03 1.23 -0.34 0.00 0.00 178.44 179.09 1aoz h GLY 378 N 0.49 0.74 0.80 3.75 0.00 -1.72 -1.58 103.07 105.56 1aoz h GLY 378 Ca 0.21 -0.52 0.04 0.00 0.00 0.00 0.00 47.33 47.06 1aoz h GLY 378 CO -0.13 0.48 0.49 0.00 0.00 0.00 0.00 176.54 177.37 1aoz h ALA 379 N 0.90 1.05 0.13 3.60 0.00 -0.59 -0.69 119.26 123.65 1aoz h ALA 379 Ca 0.12 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.73 1aoz h ALA 379 Cb 0.43 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1aoz h ALA 379 CO 0.01 0.26 -1.23 0.52 0.00 0.00 0.00 179.25 178.81 1aoz h MET 380 N 0.92 0.32 -0.73 0.00 2.07 -0.87 0.17 114.93 116.80 1aoz h MET 380 Ca 0.33 -0.51 -0.06 0.00 -2.07 0.00 0.00 59.70 57.39 1aoz h MET 380 Cb 0.08 0.19 -0.03 0.00 -1.87 0.00 0.00 31.60 29.97 1aoz h MET 380 CO -0.14 1.23 0.24 -0.22 1.07 0.00 0.00 176.91 179.09 1aoz h LYS 381 N 0.10 1.12 -0.55 1.72 3.64 -0.91 -2.87 116.57 118.83 1aoz h LYS 381 Ca -0.14 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1aoz h LYS 381 Cb 1.94 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.59 1aoz h LYS 381 CO 0.21 0.95 0.00 0.66 -2.27 0.00 0.00 179.45 179.00 1aoz n TYR 382 N -4.26 0.74 -3.77 1.91 4.01 -0.30 -4.95 117.16 110.54 1aoz n TYR 382 Ca 0.06 -0.37 -0.24 0.00 -0.16 0.00 0.00 57.90 57.19 1aoz n TYR 382 Cb 0.22 -0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.28 1aoz n TYR 382 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1aoz n ASN 383 N 1.12 -2.00 -4.50 7.72 5.15 -0.92 -4.92 115.26 116.91 1aoz n ASN 383 Ca 0.18 -0.82 -0.43 0.00 -0.60 0.00 0.00 54.58 52.92 1aoz n ASN 383 Cb 0.47 -3.95 -0.02 0.00 -0.53 0.00 0.00 39.78 35.74 1aoz n ASN 383 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1aoz s LEU 384 N -6.85 4.36 0.00 1.20 1.43 -0.00 -4.87 118.68 113.95 1aoz s LEU 384 Ca 0.16 -1.89 0.00 0.00 -1.03 0.00 0.00 54.13 51.37 1aoz s LEU 384 Cb -0.08 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.66 1aoz s LEU 384 CO 0.82 -1.23 0.61 0.18 0.23 0.00 0.00 176.35 176.97 1aoz n LEU 385 N 7.53 0.59 0.00 1.79 4.77 -1.26 -2.77 117.00 127.64 1aoz n LEU 385 Ca 0.30 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1aoz n LEU 385 Cb 0.49 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1aoz n LEU 385 CO 0.59 0.15 0.21 1.41 -1.33 0.00 0.00 177.39 178.41 1aoz n HIS 386 N -0.15 0.00 0.12 -1.77 8.25 -1.26 -4.76 115.22 115.65 1aoz n HIS 386 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1aoz n HIS 386 Cb 0.15 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.29 1aoz n HIS 386 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1aoz h ALA 387 N 0.00 0.63 -2.94 -1.41 0.00 -1.94 -3.47 119.26 110.14 1aoz h ALA 387 Ca 0.00 -0.59 -0.08 0.00 0.00 0.00 0.00 54.91 54.24 1aoz h ALA 387 Cb 0.02 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1aoz h ALA 387 CO 0.00 0.81 0.05 -0.59 0.00 0.00 0.00 179.25 179.52 1aoz s PHE 388 N -3.01 0.37 -0.17 0.00 -0.71 -1.26 -4.79 117.98 108.40 1aoz s PHE 388 Ca 0.02 -0.82 -0.29 0.00 -1.04 0.00 0.00 56.93 54.80 1aoz s PHE 388 Cb 0.09 0.42 -0.01 0.00 -1.21 0.00 0.00 43.02 42.31 1aoz s PHE 388 CO 0.76 -1.26 1.26 0.34 -1.34 0.00 0.00 175.22 174.98 1aoz s ASP 389 N -3.07 6.93 0.48 1.98 2.15 -1.26 -4.92 116.67 118.97 1aoz s ASP 389 Ca 0.20 1.66 0.27 0.00 0.43 0.00 0.00 52.55 55.11 1aoz s ASP 389 Cb -0.03 -2.54 0.75 0.00 -0.30 0.00 0.00 42.92 40.80 1aoz s ASP 389 CO 0.12 -0.78 1.76 1.56 -0.17 0.00 0.00 175.17 177.66 1aoz h GLN 390 N 8.25 0.00 -6.36 4.34 1.08 -1.93 -3.40 115.11 117.10 1aoz h GLN 390 Ca -0.26 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.40 1aoz h GLN 390 Cb 1.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.53 1aoz h GLN 390 CO 0.97 0.00 0.92 -0.80 -0.95 0.00 0.00 178.83 178.97 1aoz s ASN 391 N -6.01 6.76 0.05 1.46 0.01 -1.26 -4.95 114.94 111.00 1aoz s ASN 391 Ca 0.05 2.20 -0.33 0.00 -0.71 0.00 0.00 52.86 54.07 1aoz s ASN 391 Cb 0.07 -2.56 -0.12 0.00 0.41 0.00 0.00 41.25 39.05 1aoz s ASN 391 CO 0.62 -0.80 1.78 -0.81 -1.51 0.00 0.00 177.10 176.39 1aoz n PRO 392 N 5.77 2.37 -1.57 -0.60 -0.04 -1.26 -4.72 135.00 134.94 1aoz n PRO 392 Ca 0.14 0.86 -0.36 0.00 -0.04 0.00 0.00 63.50 64.11 1aoz n PRO 392 Cb 0.43 -2.70 0.08 0.00 -0.04 0.00 0.00 33.50 31.27 1aoz n PRO 392 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1aoz s PRO 393 N 2.77 2.30 0.16 0.54 0.04 -1.26 -4.92 135.00 134.63 1aoz s PRO 393 Ca 0.85 1.95 -0.31 0.00 0.04 0.00 0.00 61.00 63.53 1aoz s PRO 393 Cb -0.62 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 31.99 1aoz s PRO 393 CO 0.43 -1.76 1.62 -1.25 0.04 0.00 0.00 177.00 176.08 1aoz s PRO 394 N -3.62 4.19 0.00 0.56 0.04 -1.26 -4.91 135.00 130.00 1aoz s PRO 394 Ca 0.79 2.42 0.22 0.00 0.04 0.00 0.00 61.00 64.47 1aoz s PRO 394 Cb -0.34 -3.23 0.50 0.00 0.04 0.00 0.00 34.50 31.47 1aoz s PRO 394 CO 0.43 -0.67 1.44 0.39 0.04 0.00 0.00 177.00 178.63 1aoz n GLU 395 N 4.30 2.44 -3.70 4.56 1.02 -1.26 -4.91 120.64 123.10 1aoz n GLU 395 Ca 0.15 -2.20 -0.12 0.00 -0.02 0.00 0.00 57.16 54.97 1aoz n GLU 395 Cb 0.38 -1.51 -0.07 0.00 -0.02 0.00 0.00 31.44 30.23 1aoz n GLU 395 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1aoz s VAL 396 N -1.44 0.07 0.34 2.62 1.01 -1.24 -1.32 120.40 120.44 1aoz s VAL 396 Ca 0.40 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.89 1aoz s VAL 396 Cb 0.22 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1aoz s VAL 396 CO 0.31 -0.31 0.21 0.72 0.00 0.00 0.00 175.10 176.02 1aoz s PHE 397 N -2.63 2.80 0.29 5.22 -0.71 -1.26 -4.98 117.98 116.71 1aoz s PHE 397 Ca -0.04 -0.34 -0.29 0.00 -1.04 0.00 0.00 56.93 55.21 1aoz s PHE 397 Cb -0.01 -1.70 -0.10 0.00 -1.21 0.00 0.00 43.02 40.01 1aoz s PHE 397 CO -0.04 0.28 1.15 -2.14 -1.34 0.00 0.00 175.22 173.13 1aoz s PRO 398 N -3.91 4.56 0.00 1.99 0.02 -1.26 -4.94 135.00 131.47 1aoz s PRO 398 Ca 0.39 1.90 0.24 0.00 0.02 0.00 0.00 61.00 63.55 1aoz s PRO 398 Cb -0.04 -3.15 1.29 0.00 0.02 0.00 0.00 34.50 32.62 1aoz s PRO 398 CO 0.24 0.11 1.80 -0.85 -0.33 0.00 0.00 177.00 177.97 1aoz n GLU 399 N 1.07 0.50 -0.17 5.54 0.28 -1.26 -1.27 120.64 125.34 1aoz n GLU 399 Ca -0.01 0.04 0.10 0.00 -0.16 0.00 0.00 57.16 57.13 1aoz n GLU 399 Cb 0.44 -1.50 0.27 0.00 1.43 0.00 0.00 31.44 32.08 1aoz n GLU 399 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1aoz n ASP 400 N -1.18 2.61 -4.71 -1.84 5.75 -1.26 -4.91 116.55 111.02 1aoz n ASP 400 Ca 0.14 -1.90 -0.42 0.00 -0.01 0.00 0.00 54.79 52.60 1aoz n ASP 400 Cb 0.15 -0.23 -0.03 0.00 -1.03 0.00 0.00 41.12 39.98 1aoz n ASP 400 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1aoz s TYR 401 N -1.54 3.54 -0.43 2.11 5.04 -0.39 -4.99 117.35 120.68 1aoz s TYR 401 Ca 0.35 1.49 -0.17 0.00 -2.44 0.00 0.00 57.07 56.30 1aoz s TYR 401 Cb 0.19 -3.28 0.03 0.00 0.35 0.00 0.00 41.96 39.26 1aoz s TYR 401 CO 0.27 -0.69 0.41 0.34 -1.34 0.00 0.00 175.55 174.54 1aoz s ASP 402 N 1.04 6.17 0.00 4.32 2.15 -1.26 -4.94 116.67 124.15 1aoz s ASP 402 Ca 0.56 -0.87 0.22 0.00 0.43 0.00 0.00 52.55 52.88 1aoz s ASP 402 Cb -0.25 -2.21 1.11 0.00 -0.30 0.00 0.00 42.92 41.27 1aoz s ASP 402 CO 0.28 -0.59 1.69 2.30 -0.17 0.00 0.00 175.17 178.69 1aoz n ILE 403 N 5.34 0.30 0.83 4.11 -5.35 -1.26 -3.25 119.36 120.07 1aoz n ILE 403 Ca -0.09 0.08 0.11 0.00 -0.27 0.00 0.00 62.75 62.58 1aoz n ILE 403 Cb 0.46 -0.72 0.29 0.00 -1.74 0.00 0.00 39.64 37.93 1aoz n ILE 403 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1aoz n ASP 404 N -1.26 2.52 -4.12 7.28 8.00 -1.26 -0.62 116.55 127.09 1aoz n ASP 404 Ca 0.11 -1.85 -0.13 0.00 0.71 0.00 0.00 54.79 53.62 1aoz n ASP 404 Cb 0.16 -0.16 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 1aoz n ASP 404 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1aoz s THR 405 N -1.68 0.71 0.60 -3.53 2.01 -1.20 -4.79 115.64 107.75 1aoz s THR 405 Ca 0.35 -1.37 -0.18 0.00 0.31 0.00 0.00 61.69 60.79 1aoz s THR 405 Cb 0.20 -1.01 -0.07 0.00 0.01 0.00 0.00 72.50 71.63 1aoz s THR 405 CO 0.29 -0.49 0.67 -2.65 -0.69 0.00 0.00 174.62 171.75 1aoz n PRO 406 N 0.98 0.61 -0.66 4.92 -0.02 -1.26 -4.53 135.00 135.03 1aoz n PRO 406 Ca -0.19 0.24 -0.31 0.00 -2.02 0.00 0.00 63.50 61.22 1aoz n PRO 406 Cb 0.56 -1.87 0.17 0.00 -0.02 0.00 0.00 33.50 32.35 1aoz n PRO 406 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1aoz n PRO 407 N -0.45 -0.66 -0.02 0.52 -0.02 -1.26 -4.95 135.00 128.17 1aoz n PRO 407 Ca 0.12 -0.13 0.07 0.00 -2.02 0.00 0.00 63.50 61.55 1aoz n PRO 407 Cb 0.48 -2.30 -0.16 0.00 -0.02 0.00 0.00 33.50 31.50 1aoz n PRO 407 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1aoz n THR 408 N -4.27 0.29 -0.88 3.45 -2.24 -1.26 -4.98 114.28 104.39 1aoz n THR 408 Ca 0.11 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1aoz n THR 408 Cb 0.52 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1aoz n THR 408 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1aoz n ASN 409 N -2.38 -2.80 -0.35 3.42 3.02 -1.26 -4.88 115.26 110.03 1aoz n ASN 409 Ca -0.09 0.00 0.25 0.00 -0.03 0.00 0.00 54.58 54.71 1aoz n ASN 409 Cb 0.67 -1.93 0.52 0.00 -0.61 0.00 0.00 39.78 38.44 1aoz n ASN 409 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1aoz h GLU 410 N 0.76 0.33 0.00 3.52 4.81 -1.96 -2.69 114.58 119.35 1aoz h GLU 410 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1aoz h GLU 410 Cb 0.34 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1aoz h GLU 410 CO 0.00 0.22 -0.00 1.63 -0.73 0.00 0.00 179.01 180.13 1aoz n LYS 411 N -4.71 2.60 -2.25 1.92 5.02 -1.26 -5.05 118.16 114.43 1aoz n LYS 411 Ca 0.28 -1.47 -0.42 0.00 -2.02 0.00 0.00 58.31 54.68 1aoz n LYS 411 Cb 0.99 -0.98 -0.03 0.00 -0.02 0.00 0.00 35.03 34.99 1aoz n LYS 411 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1aoz s THR 412 N -1.02 3.87 0.21 -0.18 2.01 -1.02 -4.96 115.64 114.54 1aoz s THR 412 Ca 0.02 1.17 0.11 0.00 0.31 0.00 0.00 61.69 63.30 1aoz s THR 412 Cb 0.02 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 1aoz s THR 412 CO 0.00 -0.04 -0.17 0.00 -0.69 0.00 0.00 174.62 173.72 1aoz s ARG 413 N 2.93 1.77 0.07 4.92 1.70 -0.31 -4.91 118.95 125.12 1aoz s ARG 413 Ca 0.63 -1.47 -0.10 0.00 -0.47 0.00 0.00 55.73 54.32 1aoz s ARG 413 Cb -0.29 -1.96 -0.06 0.00 -0.57 0.00 0.00 34.95 32.08 1aoz s ARG 413 CO 0.24 0.40 0.39 0.42 -1.08 0.00 0.00 175.30 175.67 1aoz s ILE 414 N -1.86 5.10 0.36 4.99 1.01 -1.26 -0.60 121.20 128.94 1aoz s ILE 414 Ca 0.24 0.44 -0.11 0.00 0.00 0.00 0.00 60.65 61.22 1aoz s ILE 414 Cb -0.08 -3.64 0.04 0.00 0.01 0.00 0.00 42.46 38.80 1aoz s ILE 414 CO 0.13 0.29 0.68 0.61 0.00 0.00 0.00 174.94 176.65 1aoz n GLY 415 N 0.92 1.30 1.91 6.18 0.00 -0.00 -4.81 105.19 110.69 1aoz n GLY 415 Ca -0.08 -1.33 -0.04 0.00 0.00 0.00 0.00 46.02 44.57 1aoz n GLY 415 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1aoz n ASN 416 N -1.53 -1.07 -4.90 1.61 2.04 -1.26 -1.03 115.26 109.12 1aoz n ASN 416 Ca -0.06 -2.11 -0.28 0.00 -0.44 0.00 0.00 54.58 51.68 1aoz n ASN 416 Cb 0.56 0.44 0.07 0.00 -2.53 0.00 0.00 39.78 38.32 1aoz n ASN 416 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 1aoz s GLY 417 N -1.20 1.62 -0.04 4.83 0.00 -1.26 -4.03 107.32 107.23 1aoz s GLY 417 Ca 0.07 -0.64 0.04 0.00 0.00 0.00 0.00 44.72 44.19 1aoz s GLY 417 CO -0.07 -0.21 -0.18 0.14 0.00 0.00 0.00 173.10 172.78 1aoz s VAL 418 N -3.42 1.49 0.16 1.40 1.01 -1.26 -4.61 120.40 115.17 1aoz s VAL 418 Ca 0.60 -0.75 -0.28 0.00 0.00 0.00 0.00 61.98 61.55 1aoz s VAL 418 Cb -0.11 -1.28 -0.07 0.00 0.00 0.00 0.00 36.38 34.92 1aoz s VAL 418 CO 0.48 0.43 0.89 -0.31 0.00 0.00 0.00 175.10 176.59 1aoz s TYR 419 N 0.01 3.89 -0.05 5.22 1.51 -0.35 -4.52 117.35 123.05 1aoz s TYR 419 Ca -0.04 1.77 0.05 0.00 -1.01 0.00 0.00 57.07 57.85 1aoz s TYR 419 Cb -0.12 -2.94 -0.01 0.00 -0.11 0.00 0.00 41.96 38.79 1aoz s TYR 419 CO 0.02 0.37 -0.21 -0.65 -1.11 0.00 0.00 175.55 173.97 1aoz s GLN 420 N -0.68 2.22 0.31 -0.62 -0.21 -1.26 -0.80 119.66 118.62 1aoz s GLN 420 Ca 0.41 -0.76 0.08 0.00 0.02 0.00 0.00 55.36 55.12 1aoz s GLN 420 Cb -0.24 -1.88 -0.06 0.00 1.00 0.00 0.00 33.01 31.83 1aoz s GLN 420 CO 0.29 0.29 -0.09 -0.06 -2.12 0.00 0.00 175.29 173.61 1aoz s PHE 421 N -0.01 2.18 0.06 0.91 0.08 0.33 -4.95 117.98 116.58 1aoz s PHE 421 Ca -0.05 -0.58 -0.05 0.00 0.12 0.00 0.00 56.93 56.37 1aoz s PHE 421 Cb -0.13 -1.22 -0.05 0.00 -0.57 0.00 0.00 43.02 41.05 1aoz s PHE 421 CO 0.03 0.45 0.30 0.15 -0.10 0.00 0.00 175.22 176.05 1aoz s LYS 422 N -3.66 3.57 0.03 0.44 -0.14 -1.26 -3.79 119.74 114.94 1aoz s LYS 422 Ca 0.31 -0.14 -0.30 0.00 -1.36 0.00 0.00 55.97 54.47 1aoz s LYS 422 Cb 0.02 -3.00 -0.08 0.00 -1.68 0.00 0.00 37.83 33.10 1aoz s LYS 422 CO 0.14 0.58 1.75 -1.50 -0.76 0.00 0.00 175.35 175.56 1aoz s ILE 423 N -1.46 3.13 0.00 2.17 1.10 -1.26 -1.18 121.20 123.70 1aoz s ILE 423 Ca 0.33 0.39 0.00 0.00 -0.51 0.00 0.00 60.65 60.86 1aoz s ILE 423 Cb -0.13 -3.25 0.00 0.00 0.15 0.00 0.00 42.46 39.23 1aoz s ILE 423 CO 0.21 -0.02 0.00 0.61 -2.11 0.00 0.00 174.94 173.63 1aoz n GLY 424 N 4.19 0.30 3.76 1.50 0.00 -0.07 -5.00 105.19 109.87 1aoz n GLY 424 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1aoz n GLY 424 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aoz s GLU 425 N -0.87 4.26 -0.20 1.61 2.02 -0.32 -4.69 118.70 120.50 1aoz s GLU 425 Ca 0.00 2.33 -0.18 0.00 0.02 0.00 0.00 54.97 57.14 1aoz s GLU 425 Cb 0.00 -3.07 -0.03 0.00 0.10 0.00 0.00 34.13 31.13 1aoz s GLU 425 CO 0.00 -0.38 0.50 0.08 0.02 0.00 0.00 175.26 175.48 1aoz s VAL 426 N -0.55 5.13 -0.04 2.63 1.01 -1.26 -1.01 120.40 126.31 1aoz s VAL 426 Ca 0.55 0.91 0.07 0.00 0.00 0.00 0.00 61.98 63.51 1aoz s VAL 426 Cb -0.42 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 1aoz s VAL 426 CO 0.50 0.20 -0.25 -0.69 0.00 0.00 0.00 175.10 174.85 1aoz s VAL 427 N 1.53 2.04 -0.01 2.92 1.01 -0.52 -0.81 120.40 126.56 1aoz s VAL 427 Ca 0.23 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1aoz s VAL 427 Cb -0.15 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1aoz s VAL 427 CO 0.09 0.57 -0.08 -1.81 0.00 0.00 0.00 175.10 173.88 1aoz s ASP 428 N -0.36 4.56 -0.11 3.32 1.11 0.45 -1.16 116.67 124.49 1aoz s ASP 428 Ca 0.02 -0.14 -0.00 0.00 0.18 0.00 0.00 52.55 52.62 1aoz s ASP 428 Cb -0.12 -1.06 0.02 0.00 1.07 0.00 0.00 42.92 42.83 1aoz s ASP 428 CO 0.02 0.30 -0.09 -0.69 1.18 0.00 0.00 175.17 175.89 1aoz s VAL 429 N -0.94 1.08 -0.27 -1.27 1.01 -0.18 -1.20 120.40 118.62 1aoz s VAL 429 Ca 0.16 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.71 1aoz s VAL 429 Cb -0.11 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 1aoz s VAL 429 CO 0.06 0.37 0.13 -0.63 0.00 0.00 0.00 175.10 175.03 1aoz s ILE 430 N 1.57 4.70 -0.26 2.22 -1.09 -0.38 -1.29 121.20 126.68 1aoz s ILE 430 Ca 0.03 -0.12 -0.11 0.00 -2.23 0.00 0.00 60.65 58.22 1aoz s ILE 430 Cb -0.13 -3.26 -0.05 0.00 -1.58 0.00 0.00 42.46 37.44 1aoz s ILE 430 CO -0.07 0.25 0.21 -0.76 -1.23 0.00 0.00 174.94 173.33 1aoz s LEU 431 N 1.66 4.06 -0.18 2.97 1.43 -0.27 -1.72 118.68 126.62 1aoz s LEU 431 Ca 0.06 0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.23 1aoz s LEU 431 Cb -0.16 -2.16 -0.00 0.00 0.03 0.00 0.00 46.19 43.89 1aoz s LEU 431 CO 0.07 -0.03 -0.10 -1.58 0.23 0.00 0.00 176.35 174.94 1aoz s GLN 432 N 1.54 3.30 0.49 1.70 2.00 0.01 -1.88 119.66 126.81 1aoz s GLN 432 Ca 0.09 -0.69 -0.04 0.00 -2.00 0.00 0.00 55.36 52.72 1aoz s GLN 432 Cb -0.15 -2.79 -0.02 0.00 0.80 0.00 0.00 33.01 30.85 1aoz s GLN 432 CO 0.09 -0.07 0.77 1.21 -0.50 0.00 0.00 175.29 176.79 1aoz s ASN 433 N 1.07 6.03 0.37 6.67 3.84 0.31 -0.72 114.94 132.51 1aoz s ASN 433 Ca 0.00 0.71 -0.08 0.00 0.21 0.00 0.00 52.86 53.70 1aoz s ASN 433 Cb -0.15 -1.97 0.03 0.00 -0.55 0.00 0.00 41.25 38.62 1aoz s ASN 433 CO -0.02 -0.69 0.63 0.00 -2.79 0.00 0.00 177.10 174.23 1aoz s ALA 434 N -2.72 0.12 0.39 1.71 0.00 -1.24 -4.42 121.76 115.59 1aoz s ALA 434 Ca 0.48 -1.20 -0.25 0.00 0.00 0.00 0.00 51.96 51.00 1aoz s ALA 434 Cb -0.10 0.93 -0.09 0.00 0.00 0.00 0.00 23.12 23.86 1aoz s ALA 434 CO 0.43 -0.88 1.07 1.21 0.00 0.00 0.00 175.76 177.58 1aoz s ASN 435 N -3.17 6.77 0.35 0.00 2.47 0.21 -4.61 114.94 116.95 1aoz s ASN 435 Ca 0.24 2.09 0.00 0.00 0.42 0.00 0.00 52.86 55.61 1aoz s ASN 435 Cb -0.03 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 1aoz s ASN 435 CO 0.17 -0.49 0.00 0.23 -3.72 0.00 0.00 177.10 173.29 1aoz n MET 436 N 0.04 0.89 0.04 0.43 2.81 0.37 -4.61 117.12 117.09 1aoz n MET 436 Ca 0.04 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.87 1aoz n MET 436 Cb 0.49 0.00 0.11 0.00 -0.71 0.00 0.00 33.22 33.11 1aoz n MET 436 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1aoz h MET 437 N 0.00 0.43 -6.99 0.03 2.86 -1.88 -3.38 114.93 105.99 1aoz h MET 437 Ca 0.00 -0.25 -0.49 0.00 -2.06 0.00 0.00 59.70 56.90 1aoz h MET 437 Cb 0.00 0.02 0.03 0.00 0.06 0.00 0.00 31.60 31.72 1aoz h MET 437 CO 0.00 0.84 0.43 0.21 1.06 0.00 0.00 176.91 179.45 1aoz s LYS 438 N -4.00 3.98 0.29 1.72 2.20 -1.26 -4.78 119.74 117.89 1aoz s LYS 438 Ca -0.06 1.57 -0.29 0.00 -0.36 0.00 0.00 55.97 56.82 1aoz s LYS 438 Cb 0.12 -2.43 -0.10 0.00 -1.51 0.00 0.00 37.83 33.91 1aoz s LYS 438 CO 0.82 -0.31 1.19 -1.21 -0.36 0.00 0.00 175.35 175.48 1aoz s GLU 439 N -2.67 4.51 -1.30 4.03 2.02 -1.26 -3.63 118.70 120.40 1aoz s GLU 439 Ca 0.61 1.98 -0.05 0.00 0.02 0.00 0.00 54.97 57.53 1aoz s GLU 439 Cb -0.23 -3.14 0.01 0.00 0.10 0.00 0.00 34.13 30.87 1aoz s GLU 439 CO 0.28 0.02 1.06 -1.71 0.02 0.00 0.00 175.26 174.93 1aoz n ASN 440 N 1.13 -4.01 -3.85 -0.19 5.15 -1.26 -5.03 115.26 107.19 1aoz n ASN 440 Ca -0.00 -0.61 -0.16 0.00 -0.60 0.00 0.00 54.58 53.21 1aoz n ASN 440 Cb 0.43 -4.92 -0.15 0.00 -0.53 0.00 0.00 39.78 34.61 1aoz n ASN 440 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1aoz s LEU 441 N -6.85 1.45 -0.08 1.20 2.96 -1.24 -5.07 118.68 111.05 1aoz s LEU 441 Ca 0.30 -0.03 -0.08 0.00 -0.22 0.00 0.00 54.13 54.10 1aoz s LEU 441 Cb -0.13 -0.19 0.02 0.00 0.50 0.00 0.00 46.19 46.39 1aoz s LEU 441 CO 0.74 -0.06 0.22 -0.55 -1.32 0.00 0.00 176.35 175.39 1aoz s SER 442 N 0.65 -0.22 0.47 3.68 0.15 -1.26 -0.48 113.70 116.69 1aoz s SER 442 Ca -0.06 0.43 0.05 0.00 0.70 0.00 0.00 55.95 57.06 1aoz s SER 442 Cb -0.09 0.45 -0.03 0.00 -1.71 0.00 0.00 66.02 64.64 1aoz s SER 442 CO -0.01 -0.09 0.15 -1.61 1.20 0.00 0.00 173.24 172.88 1aoz s GLU 443 N 0.06 2.19 0.39 5.44 2.02 -1.26 -4.55 118.70 122.98 1aoz s GLU 443 Ca -0.01 -2.08 -0.11 0.00 0.02 0.00 0.00 54.97 52.80 1aoz s GLU 443 Cb -0.02 -1.83 -0.07 0.00 0.10 0.00 0.00 34.13 32.32 1aoz s GLU 443 CO 0.00 -0.28 0.76 0.95 0.02 0.00 0.00 175.26 176.71 1aoz s THR 444 N -2.73 4.78 -0.10 3.63 -4.23 -1.26 -3.99 115.64 111.74 1aoz s THR 444 Ca 0.28 0.65 -0.04 0.00 -1.18 0.00 0.00 61.69 61.40 1aoz s THR 444 Cb 0.03 -3.72 0.05 0.00 1.34 0.00 0.00 72.50 70.20 1aoz s THR 444 CO 0.16 -0.47 0.20 -1.00 -0.54 0.00 0.00 174.62 172.96 1aoz s HIS 445 N -2.31 -0.26 0.08 3.99 3.76 -1.17 -4.98 115.29 114.39 1aoz s HIS 445 Ca 0.51 0.72 -0.28 0.00 -0.15 0.00 0.00 55.06 55.86 1aoz s HIS 445 Cb -0.10 -0.14 -0.05 0.00 1.11 0.00 0.00 32.58 33.40 1aoz s HIS 445 CO 0.29 -0.28 0.89 -1.25 -0.85 0.00 0.00 174.74 173.55 1aoz s PRO 446 N 2.05 4.61 -0.06 8.40 0.04 -1.26 -1.96 135.00 146.83 1aoz s PRO 446 Ca -0.01 1.31 0.05 0.00 0.04 0.00 0.00 61.00 62.39 1aoz s PRO 446 Cb -0.12 -3.38 -0.02 0.00 0.04 0.00 0.00 34.50 31.02 1aoz s PRO 446 CO -0.07 0.21 -0.19 -1.58 0.04 0.00 0.00 177.00 175.41 1aoz s TRP 447 N 0.09 2.57 -0.04 0.56 0.52 0.60 0.20 118.94 123.45 1aoz s TRP 447 Ca 0.44 -0.41 0.02 0.00 0.02 0.00 0.00 56.10 56.17 1aoz s TRP 447 Cb -0.22 -1.62 0.01 0.00 -1.15 0.00 0.00 33.47 30.49 1aoz s TRP 447 CO 0.27 -0.01 -0.08 -1.58 0.02 0.00 0.00 176.95 175.57 1aoz s HIS 448 N -0.43 0.99 -0.14 -1.98 5.65 0.32 -0.99 115.29 118.71 1aoz s HIS 448 Ca 0.05 -0.29 -0.06 0.00 0.25 0.00 0.00 55.06 55.01 1aoz s HIS 448 Cb -0.12 -0.75 -0.04 0.00 -1.18 0.00 0.00 32.58 30.49 1aoz s HIS 448 CO 0.02 -0.16 0.09 -1.17 -0.65 0.00 0.00 174.74 172.87 1aoz s LEU 449 N 0.49 4.07 0.29 8.88 0.20 -0.88 -1.76 118.68 129.98 1aoz s LEU 449 Ca -0.08 0.28 -0.15 0.00 0.69 0.00 0.00 54.13 54.88 1aoz s LEU 449 Cb -0.12 -2.00 -0.09 0.00 -0.43 0.00 0.00 46.19 43.56 1aoz s LEU 449 CO 0.01 0.32 0.70 -1.00 -0.29 0.00 0.00 176.35 176.09 1aoz s HIS 450 N -0.49 3.42 -0.58 5.38 3.76 -0.12 -4.27 115.29 122.39 1aoz s HIS 450 Ca 0.11 1.18 0.00 0.00 -0.15 0.00 0.00 55.06 56.20 1aoz s HIS 450 Cb -0.12 -2.50 0.00 0.00 1.11 0.00 0.00 32.58 31.07 1aoz s HIS 450 CO 0.02 0.16 0.00 0.41 -0.85 0.00 0.00 174.74 174.48 1aoz n GLY 451 N -0.16 0.70 3.42 -2.22 0.00 -1.26 -4.72 105.19 100.95 1aoz n GLY 451 Ca 0.02 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 1aoz n GLY 451 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1aoz s HIS 452 N -1.87 -0.47 0.02 1.61 4.02 -1.26 -4.84 115.29 112.50 1aoz s HIS 452 Ca 0.00 0.24 0.06 0.00 1.02 0.00 0.00 55.06 56.37 1aoz s HIS 452 Cb 0.00 0.51 -0.03 0.00 -1.02 0.00 0.00 32.58 32.04 1aoz s HIS 452 CO 0.00 -0.84 -0.15 -0.51 1.02 0.00 0.00 174.74 174.26 1aoz s ASP 453 N -2.76 4.02 0.29 1.40 1.01 -1.26 -4.72 116.67 114.64 1aoz s ASP 453 Ca 0.02 -0.34 0.10 0.00 0.71 0.00 0.00 52.55 53.04 1aoz s ASP 453 Cb -0.01 -0.75 -0.06 0.00 1.01 0.00 0.00 42.92 43.12 1aoz s ASP 453 CO -0.12 0.27 -0.13 0.72 0.21 0.00 0.00 175.17 176.11 1aoz s PHE 454 N -0.93 2.17 -0.07 4.23 -0.12 -0.31 -4.73 117.98 118.23 1aoz s PHE 454 Ca 0.15 -0.49 -0.15 0.00 -0.05 0.00 0.00 56.93 56.39 1aoz s PHE 454 Cb -0.11 -1.10 -0.05 0.00 -0.63 0.00 0.00 43.02 41.13 1aoz s PHE 454 CO 0.05 0.54 0.39 -1.58 -0.05 0.00 0.00 175.22 174.58 1aoz s TRP 455 N -2.70 3.61 -0.61 3.49 0.51 -0.18 -0.96 118.94 122.10 1aoz s TRP 455 Ca 0.29 0.87 -0.20 0.00 -2.12 0.00 0.00 56.10 54.94 1aoz s TRP 455 Cb -0.00 -2.35 0.09 0.00 -0.81 0.00 0.00 33.47 30.39 1aoz s TRP 455 CO 0.14 0.44 0.79 0.08 -0.51 0.00 0.00 176.95 177.89 1aoz s VAL 456 N -0.32 4.65 0.28 4.03 1.01 -0.07 -2.06 120.40 127.93 1aoz s VAL 456 Ca 0.22 -0.73 0.09 0.00 0.00 0.00 0.00 61.98 61.56 1aoz s VAL 456 Cb -0.15 -4.54 -0.00 0.00 0.00 0.00 0.00 36.38 31.68 1aoz s VAL 456 CO 0.10 -1.21 1.65 -0.07 0.00 0.00 0.00 175.10 175.57 1aoz h LEU 457 N 10.43 0.11 0.00 3.92 4.07 -1.30 -3.39 115.31 129.15 1aoz h LEU 457 Ca -0.29 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.61 1aoz h LEU 457 Cb 1.08 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.79 1aoz h LEU 457 CO 1.12 0.63 0.00 0.61 -1.08 0.00 0.00 178.44 179.72 1aoz n GLY 458 N 0.06 -0.16 3.01 0.83 0.00 -1.15 -1.19 105.19 106.60 1aoz n GLY 458 Ca -0.02 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 1aoz n GLY 458 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aoz s TYR 459 N -2.00 0.41 0.30 1.61 1.51 -1.26 -0.64 117.35 117.27 1aoz s TYR 459 Ca 0.00 -0.54 -0.18 0.00 -1.01 0.00 0.00 57.07 55.34 1aoz s TYR 459 Cb 0.00 -0.27 0.02 0.00 -0.11 0.00 0.00 41.96 41.60 1aoz s TYR 459 CO 0.00 -0.16 0.67 0.20 -1.11 0.00 0.00 175.55 175.15 1aoz s GLY 460 N -1.57 0.19 0.13 0.71 0.00 -0.57 -4.98 107.32 101.23 1aoz s GLY 460 Ca -0.13 -0.56 0.03 0.00 0.00 0.00 0.00 44.72 44.06 1aoz s GLY 460 CO -0.01 -0.28 0.21 0.99 0.00 0.00 0.00 173.10 174.01 1aoz s ASP 461 N -2.98 6.01 0.43 1.64 1.11 -1.26 -0.67 116.67 120.95 1aoz s ASP 461 Ca 0.15 0.08 0.00 0.00 0.18 0.00 0.00 52.55 52.96 1aoz s ASP 461 Cb -0.05 -1.73 0.00 0.00 1.07 0.00 0.00 42.92 42.21 1aoz s ASP 461 CO 0.09 0.09 0.00 0.61 1.18 0.00 0.00 175.17 177.14 1aoz n GLY 462 N -0.24 -0.09 3.77 0.21 0.00 0.32 -4.76 105.19 104.41 1aoz n GLY 462 Ca -0.07 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 1aoz n GLY 462 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1aoz s LYS 463 N 0.00 4.18 0.32 1.61 2.20 -1.26 -3.89 119.74 122.89 1aoz s LYS 463 Ca 0.00 0.47 -0.29 0.00 -0.36 0.00 0.00 55.97 55.79 1aoz s LYS 463 Cb 0.00 -3.34 -0.11 0.00 -1.51 0.00 0.00 37.83 32.88 1aoz s LYS 463 CO 0.00 0.41 1.45 0.12 -0.36 0.00 0.00 175.35 176.97 1aoz s PHE 464 N -0.20 2.84 0.08 4.03 5.36 -1.26 -5.01 117.98 123.82 1aoz s PHE 464 Ca 0.25 1.13 -0.04 0.00 -0.96 0.00 0.00 56.93 57.31 1aoz s PHE 464 Cb -0.16 -3.90 -0.03 0.00 -0.34 0.00 0.00 43.02 38.59 1aoz s PHE 464 CO 0.12 -2.73 0.06 -1.54 -1.46 0.00 0.00 175.22 169.67 1aoz s SER 465 N 0.00 0.33 0.58 6.13 1.04 -1.26 -5.03 113.70 115.50 1aoz s SER 465 Ca 0.55 -0.93 0.30 0.00 0.48 0.00 0.00 55.95 56.36 1aoz s SER 465 Cb -0.44 0.27 1.38 0.00 0.10 0.00 0.00 66.02 67.33 1aoz s SER 465 CO 0.53 -0.68 1.74 0.00 0.98 0.00 0.00 173.24 175.82 1aoz h ALA 466 N 2.96 2.57 0.00 5.32 0.00 -2.03 0.13 119.26 128.20 1aoz h ALA 466 Ca -0.34 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1aoz h ALA 466 Cb 1.17 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1aoz h ALA 466 CO 0.61 -1.12 -0.14 0.93 0.00 0.00 0.00 179.25 179.53 1aoz h GLU 467 N 0.00 0.00 -0.00 0.00 5.08 -1.99 -2.44 114.58 115.22 1aoz h GLU 467 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1aoz h GLU 467 Cb 1.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.07 1aoz h GLU 467 CO -0.00 0.14 -0.10 0.39 -1.00 0.00 0.00 179.01 178.44 1aoz n GLU 468 N -3.69 0.66 0.00 2.33 -0.58 0.46 -4.21 120.64 115.61 1aoz n GLU 468 Ca -0.02 -0.21 -0.10 0.00 -0.42 0.00 0.00 57.16 56.42 1aoz n GLU 468 Cb 0.26 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.59 1aoz n GLU 468 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1aoz h GLU 469 N 0.50 -0.05 0.00 3.49 4.57 -1.58 -1.56 114.58 119.96 1aoz h GLU 469 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1aoz h GLU 469 Cb 0.35 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1aoz h GLU 469 CO 0.00 -0.03 0.00 -1.13 -1.18 0.00 0.00 179.01 176.67 1aoz n SER 470 N -5.18 0.00 0.03 1.04 3.41 -1.26 -1.71 113.62 109.95 1aoz n SER 470 Ca -0.04 0.31 0.12 0.00 -0.26 0.00 0.00 58.87 58.99 1aoz n SER 470 Cb 0.11 -0.34 0.11 0.00 -0.26 0.00 0.00 64.21 63.83 1aoz n SER 470 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1aoz n SER 471 N -1.34 0.63 -4.73 4.04 3.41 -0.59 -4.92 113.62 110.13 1aoz n SER 471 Ca 0.01 -0.17 -0.42 0.00 -0.26 0.00 0.00 58.87 58.03 1aoz n SER 471 Cb 0.03 0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 1aoz n SER 471 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1aoz s LEU 472 N -3.74 4.38 -0.35 1.04 1.43 -0.69 -4.93 118.68 115.82 1aoz s LEU 472 Ca 0.06 2.49 -0.27 0.00 -1.03 0.00 0.00 54.13 55.38 1aoz s LEU 472 Cb 0.15 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.78 1aoz s LEU 472 CO 0.76 -0.69 1.00 0.21 0.23 0.00 0.00 176.35 177.86 1aoz s ASN 473 N 0.82 6.80 0.00 2.29 2.47 -0.34 -4.88 114.94 122.10 1aoz s ASN 473 Ca 0.64 0.82 0.06 0.00 0.42 0.00 0.00 52.86 54.79 1aoz s ASN 473 Cb -0.40 -2.50 0.04 0.00 -1.45 0.00 0.00 41.25 36.94 1aoz s ASN 473 CO 0.35 -0.87 0.67 0.18 -3.72 0.00 0.00 177.10 173.71 1aoz n LEU 474 N 6.84 1.46 -0.06 3.21 4.77 -1.26 -4.38 117.00 127.57 1aoz n LEU 474 Ca 0.10 -1.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.04 1aoz n LEU 474 Cb 0.48 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.55 1aoz n LEU 474 CO 0.59 0.31 -0.34 1.17 -1.33 0.00 0.00 177.39 177.79 1aoz n LYS 475 N 0.30 0.38 -0.37 3.23 4.81 -1.26 -4.51 118.16 120.74 1aoz n LYS 475 Ca 0.03 0.42 0.08 0.00 -0.87 0.00 0.00 58.31 57.96 1aoz n LYS 475 Cb 0.14 -1.47 0.24 0.00 0.02 0.00 0.00 35.03 33.96 1aoz n LYS 475 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1aoz n ASN 476 N -4.16 3.70 -4.78 3.14 4.13 -1.26 -4.84 115.26 111.18 1aoz n ASN 476 Ca -0.07 -2.38 -0.41 0.00 1.68 0.00 0.00 54.58 53.41 1aoz n ASN 476 Cb 0.26 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 38.08 1aoz n ASN 476 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1aoz n PRO 477 N 0.47 2.66 -2.25 3.52 -0.04 -1.26 -0.73 135.00 137.37 1aoz n PRO 477 Ca 0.18 0.93 -0.38 0.00 -0.04 0.00 0.00 63.50 64.20 1aoz n PRO 477 Cb 0.67 -2.67 -0.01 0.00 -0.04 0.00 0.00 33.50 31.45 1aoz n PRO 477 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1aoz s PRO 478 N -2.13 3.93 -0.21 0.54 0.04 -1.26 -4.00 135.00 131.90 1aoz s PRO 478 Ca 0.54 1.85 -0.20 0.00 0.04 0.00 0.00 61.00 63.23 1aoz s PRO 478 Cb -0.47 -2.58 -0.03 0.00 0.04 0.00 0.00 34.50 31.46 1aoz s PRO 478 CO 0.63 -0.43 0.58 -0.51 0.04 0.00 0.00 177.00 177.31 1aoz s LEU 479 N -2.69 4.12 0.33 -3.56 1.43 -1.26 -0.89 118.68 116.17 1aoz s LEU 479 Ca 0.60 0.73 0.06 0.00 -1.03 0.00 0.00 54.13 54.48 1aoz s LEU 479 Cb -0.31 -2.80 -0.03 0.00 0.03 0.00 0.00 46.19 43.08 1aoz s LEU 479 CO 0.38 -0.26 0.23 -0.13 0.23 0.00 0.00 176.35 176.81 1aoz s ARG 480 N 1.94 1.73 -0.00 1.70 1.81 -0.14 -4.72 118.95 121.28 1aoz s ARG 480 Ca 0.26 -2.01 0.01 0.00 -1.72 0.00 0.00 55.73 52.27 1aoz s ARG 480 Cb -0.16 0.13 -0.01 0.00 -0.45 0.00 0.00 34.95 34.46 1aoz s ARG 480 CO 0.10 -0.59 0.01 0.27 -0.68 0.00 0.00 175.30 174.41 1aoz n ASN 481 N -1.36 4.86 -4.29 0.23 0.23 -1.26 -1.16 115.26 112.51 1aoz n ASN 481 Ca 0.04 0.00 -0.30 0.00 -0.53 0.00 0.00 54.58 53.79 1aoz n ASN 481 Cb 0.63 0.93 -0.16 0.00 -2.08 0.00 0.00 39.78 39.11 1aoz n ASN 481 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1aoz s THR 482 N -2.04 1.99 0.03 5.53 2.01 -1.26 -2.07 115.64 119.83 1aoz s THR 482 Ca -0.00 -1.07 -0.01 0.00 0.31 0.00 0.00 61.69 60.92 1aoz s THR 482 Cb 0.00 -1.65 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 1aoz s THR 482 CO 0.02 0.56 -0.02 0.54 -0.69 0.00 0.00 174.62 175.04 1aoz s VAL 483 N -0.52 0.14 0.13 3.82 0.11 -0.16 -4.95 120.40 118.97 1aoz s VAL 483 Ca 0.08 -1.15 0.05 0.00 -2.93 0.00 0.00 61.98 58.03 1aoz s VAL 483 Cb -0.10 -0.63 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 1aoz s VAL 483 CO -0.00 -0.63 0.04 -0.69 -3.33 0.00 0.00 175.10 170.49 1aoz s VAL 484 N -2.17 4.12 -0.10 2.04 1.01 -1.26 -0.29 120.40 123.75 1aoz s VAL 484 Ca -0.09 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 60.79 1aoz s VAL 484 Cb -0.05 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 1aoz s VAL 484 CO -0.03 0.00 -0.11 0.27 0.00 0.00 0.00 175.10 175.23 1aoz s ILE 485 N -1.54 3.34 0.60 2.22 -4.36 -0.83 -4.81 121.20 115.82 1aoz s ILE 485 Ca 0.28 -0.59 -0.06 0.00 -0.26 0.00 0.00 60.65 60.01 1aoz s ILE 485 Cb -0.11 -2.38 0.01 0.00 1.25 0.00 0.00 42.46 41.24 1aoz s ILE 485 CO 0.20 0.56 0.92 -0.36 0.24 0.00 0.00 174.94 176.50 1aoz s PHE 486 N -0.24 3.25 -0.16 1.37 0.08 -1.26 -3.02 117.98 118.01 1aoz s PHE 486 Ca 0.02 0.68 -0.36 0.00 0.12 0.00 0.00 56.93 57.39 1aoz s PHE 486 Cb -0.13 -2.78 -0.17 0.00 -0.57 0.00 0.00 43.02 39.37 1aoz s PHE 486 CO 0.03 -0.87 1.08 -2.30 -0.10 0.00 0.00 175.22 173.06 1aoz n PRO 487 N -2.63 0.00 -3.01 0.24 -0.02 -1.26 -1.92 135.00 126.40 1aoz n PRO 487 Ca 0.05 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.35 1aoz n PRO 487 Cb 0.58 -1.28 -0.01 0.00 -0.02 0.00 0.00 33.50 32.76 1aoz n PRO 487 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1aoz n TYR 488 N 2.08 -1.68 -4.50 6.00 4.01 -1.26 -4.82 117.16 116.98 1aoz n TYR 488 Ca 0.21 0.27 -0.22 0.00 -0.16 0.00 0.00 57.90 58.00 1aoz n TYR 488 Cb 0.02 -2.55 -0.05 0.00 -0.31 0.00 0.00 39.34 36.45 1aoz n TYR 488 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1aoz n GLY 489 N -0.96 3.72 3.32 2.72 0.00 -0.81 -0.52 105.19 112.65 1aoz n GLY 489 Ca -0.05 -2.28 -0.17 0.00 0.00 0.00 0.00 46.02 43.52 1aoz n GLY 489 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1aoz s TRP 490 N -2.33 1.57 -0.04 1.61 1.48 0.15 -0.53 118.94 120.86 1aoz s TRP 490 Ca 0.02 -0.64 -0.02 0.00 -1.06 0.00 0.00 56.10 54.40 1aoz s TRP 490 Cb 0.00 -0.75 0.02 0.00 -1.16 0.00 0.00 33.47 31.58 1aoz s TRP 490 CO 0.02 0.27 0.10 0.99 -4.06 0.00 0.00 176.95 174.26 1aoz s THR 491 N -3.09 -0.03 -0.08 0.66 2.01 -0.79 -1.52 115.64 112.81 1aoz s THR 491 Ca 0.21 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.34 1aoz s THR 491 Cb 0.00 -0.16 -0.01 0.00 0.01 0.00 0.00 72.50 72.34 1aoz s THR 491 CO 0.05 0.04 -0.20 0.00 -0.69 0.00 0.00 174.62 173.82 1aoz s ALA 492 N 0.58 2.37 0.13 7.40 0.00 0.18 -1.12 121.76 131.30 1aoz s ALA 492 Ca -0.04 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 50.97 1aoz s ALA 492 Cb -0.06 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1aoz s ALA 492 CO -0.02 0.39 -0.11 0.96 0.00 0.00 0.00 175.76 176.98 1aoz s ILE 493 N -0.09 1.12 0.03 0.00 -4.36 -0.41 -0.95 121.20 116.53 1aoz s ILE 493 Ca -0.04 -1.86 0.04 0.00 -0.26 0.00 0.00 60.65 58.53 1aoz s ILE 493 Cb -0.14 -1.63 -0.02 0.00 1.25 0.00 0.00 42.46 41.92 1aoz s ILE 493 CO 0.04 -0.63 -0.12 -0.60 0.24 0.00 0.00 174.94 173.87 1aoz s ARG 494 N -3.24 0.87 0.11 0.37 3.52 -0.87 -1.01 118.95 118.70 1aoz s ARG 494 Ca 0.11 -0.65 -0.22 0.00 -0.13 0.00 0.00 55.73 54.84 1aoz s ARG 494 Cb -0.01 -0.84 0.06 0.00 -1.56 0.00 0.00 34.95 32.60 1aoz s ARG 494 CO 0.01 0.21 0.55 -0.59 -0.81 0.00 0.00 175.30 174.66 1aoz s PHE 495 N -0.74 -0.45 -0.21 5.12 -0.71 -0.31 -1.02 117.98 119.66 1aoz s PHE 495 Ca 0.01 0.32 -0.11 0.00 -1.04 0.00 0.00 56.93 56.11 1aoz s PHE 495 Cb -0.07 0.44 -0.05 0.00 -1.21 0.00 0.00 43.02 42.13 1aoz s PHE 495 CO 0.01 -0.76 0.17 0.08 -1.34 0.00 0.00 175.22 173.38 1aoz s VAL 496 N -3.29 5.37 -1.40 -2.49 1.01 -1.26 -1.44 120.40 116.89 1aoz s VAL 496 Ca -0.01 0.25 -0.15 0.00 0.00 0.00 0.00 61.98 62.07 1aoz s VAL 496 Cb -0.00 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.89 1aoz s VAL 496 CO -0.09 0.38 2.20 0.00 0.00 0.00 0.00 175.10 177.60 1aoz n ALA 497 N 3.91 5.36 -1.22 5.51 0.00 -0.18 -4.65 120.51 129.24 1aoz n ALA 497 Ca -0.15 -3.83 -0.02 0.00 0.00 0.00 0.00 53.44 49.44 1aoz n ALA 497 Cb 0.52 -3.55 0.23 0.00 0.00 0.00 0.00 19.45 16.65 1aoz n ALA 497 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1aoz n ASP 498 N 6.23 3.40 -3.55 0.00 5.68 -1.26 -0.89 116.55 126.16 1aoz n ASP 498 Ca 0.52 -3.42 -0.29 0.00 -0.50 0.00 0.00 54.79 51.09 1aoz n ASP 498 Cb 0.39 -0.64 -0.13 0.00 -1.14 0.00 0.00 41.12 39.60 1aoz n ASP 498 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1aoz s ASN 499 N -2.02 3.35 0.06 -1.12 2.47 -1.26 -4.97 114.94 111.45 1aoz s ASN 499 Ca 0.46 -1.94 -0.36 0.00 0.42 0.00 0.00 52.86 51.44 1aoz s ASN 499 Cb 0.40 -0.53 -0.16 0.00 -1.45 0.00 0.00 41.25 39.51 1aoz s ASN 499 CO 0.06 -0.35 1.44 -2.65 -3.72 0.00 0.00 177.10 171.88 1aoz n PRO 500 N 4.40 1.37 -0.68 0.43 -0.02 -1.26 -4.81 135.00 134.43 1aoz n PRO 500 Ca 0.05 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1aoz n PRO 500 Cb 0.39 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1aoz n PRO 500 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aoz n GLY 501 N 2.90 0.46 3.08 -1.23 0.00 -0.69 -4.63 105.19 105.08 1aoz n GLY 501 Ca 0.19 -1.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 1aoz n GLY 501 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aoz s VAL 502 N -1.62 2.05 -0.06 1.61 1.01 -1.26 -2.39 120.40 119.72 1aoz s VAL 502 Ca 0.00 -1.28 0.05 0.00 0.00 0.00 0.00 61.98 60.76 1aoz s VAL 502 Cb 0.00 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 1aoz s VAL 502 CO 0.00 0.22 -0.23 0.26 0.00 0.00 0.00 175.10 175.35 1aoz s TRP 503 N 1.22 2.50 0.27 5.22 0.52 0.54 -4.58 118.94 124.63 1aoz s TRP 503 Ca -0.03 -0.68 -0.28 0.00 0.02 0.00 0.00 56.10 55.13 1aoz s TRP 503 Cb -0.17 -1.63 -0.09 0.00 -1.15 0.00 0.00 33.47 30.43 1aoz s TRP 503 CO -0.09 -0.19 0.94 0.00 0.02 0.00 0.00 176.95 177.64 1aoz s ALA 504 N -0.15 3.29 -0.14 0.98 0.00 -1.26 -0.78 121.76 123.69 1aoz s ALA 504 Ca -0.03 0.58 -0.01 0.00 0.00 0.00 0.00 51.96 52.50 1aoz s ALA 504 Cb -0.14 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 19.82 1aoz s ALA 504 CO 0.04 0.20 -0.06 0.12 0.00 0.00 0.00 175.76 176.05 1aoz s PHE 505 N -1.35 1.58 0.14 0.00 5.36 -0.98 -0.95 117.98 121.79 1aoz s PHE 505 Ca 0.45 -0.92 -0.11 0.00 -0.96 0.00 0.00 56.93 55.38 1aoz s PHE 505 Cb -0.23 -1.27 0.00 0.00 -0.34 0.00 0.00 43.02 41.18 1aoz s PHE 505 CO 0.29 -0.57 0.30 -3.38 -1.46 0.00 0.00 175.22 170.40 1aoz s HIS 506 N 1.67 0.19 0.20 10.12 -3.43 -0.72 -0.93 115.29 122.39 1aoz s HIS 506 Ca 0.03 -0.56 -0.30 0.00 -0.80 0.00 0.00 55.06 53.42 1aoz s HIS 506 Cb -0.14 0.04 -0.09 0.00 -1.43 0.00 0.00 32.58 30.95 1aoz s HIS 506 CO -0.08 -0.69 1.34 0.00 -2.00 0.00 0.00 174.74 173.32 1aoz n HIS 508 N 2.68 0.68 -3.12 0.00 -0.00 0.13 -4.46 115.22 111.14 1aoz n HIS 508 Ca 0.07 -0.27 -0.41 0.00 0.46 0.00 0.00 57.72 57.57 1aoz n HIS 508 Cb 0.42 -0.15 -0.07 0.00 -0.12 0.00 0.00 29.99 30.08 1aoz n HIS 508 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1aoz s ILE 509 N -1.67 4.96 0.21 3.57 1.01 -1.26 -4.81 121.20 123.20 1aoz s ILE 509 Ca 0.23 0.93 -0.10 0.00 0.00 0.00 0.00 60.65 61.71 1aoz s ILE 509 Cb 0.15 -3.97 0.14 0.00 0.01 0.00 0.00 42.46 38.79 1aoz s ILE 509 CO 0.11 -0.08 1.85 -0.08 0.00 0.00 0.00 174.94 176.74 1aoz h GLU 510 N 8.09 0.84 -0.63 2.79 4.57 -1.33 -1.85 114.58 127.07 1aoz h GLU 510 Ca -0.27 -0.05 0.13 0.00 -1.18 0.00 0.00 59.36 57.99 1aoz h GLU 510 Cb 1.12 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 29.48 1aoz h GLU 510 CO 0.79 0.56 0.43 -1.00 -1.18 0.00 0.00 179.01 178.60 1aoz h PRO 511 N 0.87 0.26 -0.07 0.92 0.13 -1.95 -1.10 132.00 131.06 1aoz h PRO 511 Ca 0.28 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 65.35 1aoz h PRO 511 Cb 0.01 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.08 1aoz h PRO 511 CO -0.10 0.17 -0.14 0.45 -0.23 0.00 0.00 178.00 178.15 1aoz h HIS 512 N 0.27 0.28 -0.78 1.56 3.86 -1.71 -1.22 115.15 117.41 1aoz h HIS 512 Ca 0.30 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.39 1aoz h HIS 512 Cb 0.81 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 29.19 1aoz h HIS 512 CO -0.00 0.73 0.42 1.25 0.86 0.00 0.00 177.93 181.18 1aoz h LEU 513 N -0.26 0.98 -1.45 2.43 5.85 -1.18 -0.72 115.31 120.97 1aoz h LEU 513 Ca 0.00 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.66 1aoz h LEU 513 Cb 0.71 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 1aoz h LEU 513 CO 0.03 0.80 0.41 -0.74 -0.34 0.00 0.00 178.44 178.61 1aoz h HIS 514 N 1.08 0.69 -0.26 1.25 2.76 -0.96 -1.95 115.15 117.75 1aoz h HIS 514 Ca 0.27 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 1aoz h HIS 514 Cb 0.05 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 28.78 1aoz h HIS 514 CO 0.00 0.39 0.00 -1.33 -1.30 0.00 0.00 177.93 175.70 1aoz n MET 515 N -4.47 2.21 0.00 5.26 2.81 -0.48 -4.90 117.12 117.55 1aoz n MET 515 Ca 0.08 -1.19 0.00 0.00 -1.81 0.00 0.00 57.70 54.78 1aoz n MET 515 Cb 0.16 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 1aoz n MET 515 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1aoz n GLY 516 N 0.55 0.39 3.51 3.03 0.00 -0.73 -1.03 105.19 110.91 1aoz n GLY 516 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1aoz n GLY 516 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1aoz n MET 517 N -1.65 1.79 -3.61 1.61 0.00 -0.39 -2.50 117.12 112.37 1aoz n MET 517 Ca 0.00 -2.49 -0.02 0.00 -0.00 0.00 0.00 57.70 55.20 1aoz n MET 517 Cb 0.00 -3.60 -0.01 0.00 0.00 0.00 0.00 33.22 29.61 1aoz n MET 517 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1aoz s GLY 518 N 5.97 -0.33 0.40 -5.12 0.00 -1.26 -2.19 107.32 104.79 1aoz s GLY 518 Ca 0.65 1.37 0.04 0.00 0.00 0.00 0.00 44.72 46.77 1aoz s GLY 518 CO 0.13 0.41 0.06 -1.34 0.00 0.00 0.00 173.10 172.36 1aoz s VAL 519 N -2.31 1.12 -0.08 1.40 -7.23 -0.11 -4.43 120.40 108.75 1aoz s VAL 519 Ca 0.12 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.32 1aoz s VAL 519 Cb 0.01 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.40 1aoz s VAL 519 CO -0.04 0.00 -0.21 -0.69 -0.31 0.00 0.00 175.10 173.85 1aoz s VAL 520 N -3.10 1.78 -0.06 1.32 1.01 -1.26 -2.33 120.40 117.76 1aoz s VAL 520 Ca 0.26 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1aoz s VAL 520 Cb 0.05 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 1aoz s VAL 520 CO 0.13 0.50 -0.12 -0.36 0.00 0.00 0.00 175.10 175.25 1aoz s PHE 521 N 0.35 2.79 0.03 5.22 0.08 0.04 -1.22 117.98 125.26 1aoz s PHE 521 Ca -0.15 -0.14 0.04 0.00 0.12 0.00 0.00 56.93 56.80 1aoz s PHE 521 Cb -0.17 -1.68 -0.02 0.00 -0.57 0.00 0.00 43.02 40.59 1aoz s PHE 521 CO 0.07 0.20 -0.11 0.00 -0.10 0.00 0.00 175.22 175.27 1aoz s ALA 522 N -0.65 0.94 -0.12 5.36 0.00 0.02 -0.34 121.76 126.96 1aoz s ALA 522 Ca 0.10 -0.68 -0.12 0.00 0.00 0.00 0.00 51.96 51.25 1aoz s ALA 522 Cb -0.11 -0.14 0.03 0.00 0.00 0.00 0.00 23.12 22.90 1aoz s ALA 522 CO 0.01 0.17 0.35 -1.83 0.00 0.00 0.00 175.76 174.45 1aoz s GLU 523 N -0.95 0.42 -1.65 0.00 -1.05 -1.01 -0.51 118.70 113.95 1aoz s GLU 523 Ca 0.00 0.45 -0.15 0.00 -0.15 0.00 0.00 54.97 55.12 1aoz s GLU 523 Cb -0.07 0.20 0.13 0.00 -0.44 0.00 0.00 34.13 33.95 1aoz s GLU 523 CO 0.01 -0.06 0.72 0.41 0.95 0.00 0.00 175.26 177.30 1aoz n GLY 524 N 2.81 -0.41 0.29 -3.83 0.00 -1.25 -1.70 105.19 101.10 1aoz n GLY 524 Ca -0.13 0.14 0.17 0.00 0.00 0.00 0.00 46.02 46.19 1aoz n GLY 524 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1aoz h VAL 525 N -1.58 0.29 -0.31 1.61 2.07 -1.92 -0.97 116.25 115.43 1aoz h VAL 525 Ca -0.60 -0.34 0.09 0.00 0.82 0.00 0.00 66.70 66.68 1aoz h VAL 525 Cb 1.38 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1aoz h VAL 525 CO 0.75 0.05 0.32 -0.33 0.02 0.00 0.00 177.57 178.38 1aoz h GLU 526 N 0.00 0.00 -0.39 1.57 3.07 -1.92 -1.49 114.58 115.42 1aoz h GLU 526 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1aoz h GLU 526 Cb 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1aoz h GLU 526 CO 0.01 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.25 1aoz n LYS 527 N -3.82 2.37 -2.59 2.33 5.02 -0.37 -4.94 118.16 116.17 1aoz n LYS 527 Ca 0.05 -2.08 -0.41 0.00 -2.02 0.00 0.00 58.31 53.85 1aoz n LYS 527 Cb 0.47 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.95 1aoz n LYS 527 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1aoz s VAL 528 N -1.49 3.93 0.00 -0.18 1.01 -0.56 -5.03 120.40 118.08 1aoz s VAL 528 Ca 0.38 1.76 0.00 0.00 0.00 0.00 0.00 61.98 64.12 1aoz s VAL 528 Cb 0.22 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1aoz s VAL 528 CO 0.30 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.36 1aoz n GLY 529 N 1.79 1.20 3.75 4.51 0.00 -1.26 -5.01 105.19 110.17 1aoz n GLY 529 Ca 0.01 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 1aoz n GLY 529 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1aoz s ARG 530 N 1.21 4.42 -0.15 1.61 3.52 -1.26 -5.01 118.95 123.29 1aoz s ARG 530 Ca 0.00 2.06 -0.05 0.00 -0.13 0.00 0.00 55.73 57.61 1aoz s ARG 530 Cb 0.00 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 30.20 1aoz s ARG 530 CO 0.00 -0.15 0.04 0.42 -0.81 0.00 0.00 175.30 174.79 1aoz s ILE 531 N -0.48 4.57 0.16 4.11 1.01 -1.26 -5.02 121.20 124.29 1aoz s ILE 531 Ca 0.52 -0.13 -0.34 0.00 0.00 0.00 0.00 60.65 60.71 1aoz s ILE 531 Cb -0.37 -3.01 -0.16 0.00 0.01 0.00 0.00 42.46 38.94 1aoz s ILE 531 CO 0.43 0.52 1.24 -2.65 0.00 0.00 0.00 174.94 174.49 1aoz n PRO 532 N 3.00 1.28 -0.34 2.79 -0.02 -1.26 -4.88 135.00 135.58 1aoz n PRO 532 Ca -0.18 0.46 0.21 0.00 -2.02 0.00 0.00 63.50 61.97 1aoz n PRO 532 Cb 0.53 -2.02 0.43 0.00 -0.02 0.00 0.00 33.50 32.43 1aoz n PRO 532 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1aoz h THR 533 N 2.89 0.43 -0.04 3.45 2.02 -1.99 0.11 112.91 119.77 1aoz h THR 533 Ca -0.44 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 66.52 1aoz h THR 533 Cb 1.33 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1aoz h THR 533 CO 0.73 0.08 -0.27 0.11 0.37 0.00 0.00 175.52 176.55 1aoz h LYS 534 N 0.46 0.08 0.00 6.66 1.57 -1.97 -0.60 116.57 122.77 1aoz h LYS 534 Ca 0.68 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.44 1aoz h LYS 534 Cb 1.46 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.76 1aoz h LYS 534 CO -0.52 0.34 0.00 0.00 -0.57 0.00 0.00 179.45 178.70 1aoz n ALA 535 N -2.48 1.88 -0.05 3.86 0.00 0.38 -3.43 120.51 120.67 1aoz n ALA 535 Ca -0.02 0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.47 1aoz n ALA 535 Cb 0.34 -1.41 -0.15 0.00 0.00 0.00 0.00 19.45 18.23 1aoz n ALA 535 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1aoz n LEU 536 N -2.15 0.00 -2.76 0.00 7.99 -0.39 -1.87 117.00 117.82 1aoz n LEU 536 Ca 0.04 0.00 -0.20 0.00 -0.01 0.00 0.00 56.01 55.84 1aoz n LEU 536 Cb 0.29 0.21 -0.06 0.00 -0.11 0.00 0.00 43.42 43.74 1aoz n LEU 536 CO 0.23 0.21 2.13 0.00 -1.51 0.00 0.00 177.39 178.44 1aoz n ALA 537 N -2.42 5.36 -3.75 -1.18 0.00 -0.37 -2.67 120.51 115.48 1aoz n ALA 537 Ca -0.16 -2.01 -0.08 0.00 0.00 0.00 0.00 53.44 51.19 1aoz n ALA 537 Cb 0.79 -2.78 -0.00 0.00 0.00 0.00 0.00 19.45 17.46 1aoz n ALA 537 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aoz n GLY 539 N -0.49 1.99 0.17 0.00 0.00 -1.26 -1.95 105.19 103.65 1aoz n GLY 539 Ca -0.06 -0.36 0.07 0.00 0.00 0.00 0.00 46.02 45.67 1aoz n GLY 539 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1aoz h GLY 540 N 0.00 0.00 0.79 -0.02 0.00 -1.92 -2.86 103.07 99.07 1aoz h GLY 540 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1aoz h GLY 540 CO 0.00 0.00 -0.03 -0.91 0.00 0.00 0.00 176.54 175.60 1aoz h THR 541 N 0.00 1.08 -0.29 4.70 1.35 -1.79 -1.55 112.91 116.42 1aoz h THR 541 Ca -0.01 -0.47 -0.06 0.00 -0.55 0.00 0.00 66.41 65.33 1aoz h THR 541 Cb 1.22 1.39 -0.02 0.00 -1.73 0.00 0.00 68.15 69.02 1aoz h THR 541 CO 0.04 0.12 -0.08 0.00 -0.25 0.00 0.00 175.52 175.34 1aoz h ALA 542 N 0.64 1.33 0.10 6.62 0.00 -1.16 -0.65 119.26 126.14 1aoz h ALA 542 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1aoz h ALA 542 Cb 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1aoz h ALA 542 CO 0.01 0.45 -0.10 -0.22 0.00 0.00 0.00 179.25 179.40 1aoz h LYS 543 N 0.44 -0.21 -0.05 0.00 1.63 -1.30 0.04 116.57 117.12 1aoz h LYS 543 Ca 0.09 0.01 -0.23 0.00 -0.85 0.00 0.00 60.65 59.68 1aoz h LYS 543 Cb 0.42 0.05 0.01 0.00 -0.60 0.00 0.00 32.23 32.10 1aoz h LYS 543 CO 0.02 -0.14 -0.88 0.66 -3.45 0.00 0.00 179.45 175.66 1aoz h SER 544 N -0.21 0.70 1.38 4.20 4.64 -1.16 -3.34 113.55 119.76 1aoz h SER 544 Ca 0.00 -0.52 -0.11 0.00 -0.47 0.00 0.00 61.79 60.70 1aoz h SER 544 Cb 0.21 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1aoz h SER 544 CO -0.03 1.30 -0.53 -0.07 -0.87 0.00 0.00 176.83 176.64 1aoz h LEU 545 N 0.35 0.00 -8.87 5.97 4.07 -1.07 -3.42 115.31 112.34 1aoz h LEU 545 Ca -0.07 0.00 -0.59 0.00 0.08 0.00 0.00 57.88 57.29 1aoz h LEU 545 Cb 1.51 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 43.16 1aoz h LEU 545 CO 0.16 0.53 0.56 -0.63 -1.08 0.00 0.00 178.44 177.98 1aoz s ILE 546 N -3.01 4.65 -0.50 1.22 1.01 -0.01 -4.97 121.20 119.59 1aoz s ILE 546 Ca 0.03 1.24 -0.28 0.00 0.00 0.00 0.00 60.65 61.64 1aoz s ILE 546 Cb 0.08 -4.28 0.03 0.00 0.01 0.00 0.00 42.46 38.30 1aoz s ILE 546 CO 0.74 -0.44 1.09 0.21 0.00 0.00 0.00 174.94 176.55 1aoz s ASN 547 N 1.77 6.54 -0.42 3.58 2.47 -1.26 -4.88 114.94 122.74 1aoz s ASN 547 Ca 0.37 0.25 0.06 0.00 0.42 0.00 0.00 52.86 53.97 1aoz s ASN 547 Cb -0.13 -2.52 0.22 0.00 -1.45 0.00 0.00 41.25 37.37 1aoz s ASN 547 CO 0.16 -1.26 0.52 -3.20 -3.72 0.00 0.00 177.10 169.61 1aoz n ASN 548 N 7.80 -0.65 -3.97 -4.21 5.15 -1.26 -5.13 115.26 112.99 1aoz n ASN 548 Ca 0.09 -2.68 -0.30 0.00 -0.60 0.00 0.00 54.58 51.09 1aoz n ASN 548 Cb 0.49 -0.16 0.23 0.00 -0.53 0.00 0.00 39.78 39.81 1aoz n ASN 548 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1aoz s PRO 549 N -0.44 -0.82 -0.16 1.20 0.04 -1.26 -5.07 135.00 128.48 1aoz s PRO 549 Ca 0.34 -0.02 -0.04 0.00 0.04 0.00 0.00 61.00 61.32 1aoz s PRO 549 Cb 0.13 -1.64 0.08 0.00 0.04 0.00 0.00 34.50 33.11 1aoz s PRO 549 CO -0.15 -3.46 0.25 -1.59 0.04 0.00 0.00 177.00 172.09 1aoz s LYS 550 N -5.39 0.17 0.00 4.56 -2.85 -1.26 -4.94 119.74 110.03 1aoz s LYS 550 Ca 0.70 0.50 0.00 0.00 -1.00 0.00 0.00 55.97 56.18 1aoz s LYS 550 Cb -0.10 -0.55 0.00 0.00 -2.06 0.00 0.00 37.83 35.12 1aoz s LYS 550 CO 0.56 -0.46 0.00 -1.71 0.10 0.00 0.00 175.35 173.84 1aoz n ASN 551 N 5.34 -3.72 0.00 0.03 5.15 -1.26 -5.36 115.26 115.44 1aoz n ASN 551 Ca -0.05 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.93 1aoz n ASN 551 Cb 0.50 -1.61 0.00 0.00 -0.53 0.00 0.00 39.78 38.13 1aoz n ASN 551 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01