#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ad1 s LYS 3 N 0.00 1.84 0.10 -0.78 -2.85 -1.26 -4.98 119.74 111.82 1ad1 s LYS 3 Ca 0.00 1.23 -0.30 0.00 -1.00 0.00 0.00 55.97 55.90 1ad1 s LYS 3 Cb 0.00 -1.84 -0.06 0.00 -2.06 0.00 0.00 37.83 33.87 1ad1 s LYS 3 CO 0.00 -1.95 0.99 0.99 0.10 0.00 0.00 175.35 175.48 1ad1 s THR 4 N -2.84 4.43 0.12 3.79 2.01 -1.26 -4.97 115.64 116.93 1ad1 s THR 4 Ca 0.63 1.98 -0.24 0.00 0.31 0.00 0.00 61.69 64.36 1ad1 s THR 4 Cb -0.19 -4.26 -0.07 0.00 0.01 0.00 0.00 72.50 67.99 1ad1 s THR 4 CO 0.57 0.28 0.74 -0.54 -0.69 0.00 0.00 174.62 174.98 1ad1 s LYS 5 N 0.12 4.50 -0.34 4.92 1.02 -0.44 -4.94 119.74 124.58 1ad1 s LYS 5 Ca 0.48 1.07 -0.11 0.00 0.02 0.00 0.00 55.97 57.44 1ad1 s LYS 5 Cb -0.24 -3.28 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 1ad1 s LYS 5 CO 0.30 0.51 0.20 0.42 -0.92 0.00 0.00 175.35 175.86 1ad1 s ILE 6 N -0.86 4.82 -0.35 2.17 -1.09 -1.26 -1.40 121.20 123.22 1ad1 s ILE 6 Ca 0.35 -0.49 -0.10 0.00 -2.23 0.00 0.00 60.65 58.18 1ad1 s ILE 6 Cb -0.22 -3.54 0.02 0.00 -1.58 0.00 0.00 42.46 37.14 1ad1 s ILE 6 CO 0.24 -0.05 0.18 -0.32 -1.23 0.00 0.00 174.94 173.76 1ad1 s MET 7 N 1.63 2.95 0.68 2.79 -2.45 -0.06 -0.48 119.30 124.36 1ad1 s MET 7 Ca 0.04 -0.99 -0.11 0.00 -1.25 0.00 0.00 55.69 53.38 1ad1 s MET 7 Cb -0.18 -3.66 -0.00 0.00 1.25 0.00 0.00 34.83 32.23 1ad1 s MET 7 CO 0.08 -0.62 1.07 0.20 1.05 0.00 0.00 175.02 176.79 1ad1 s GLY 8 N 1.56 1.64 -0.21 2.11 0.00 0.81 -1.44 107.32 111.79 1ad1 s GLY 8 Ca 0.02 -0.20 -0.05 0.00 0.00 0.00 0.00 44.72 44.50 1ad1 s GLY 8 CO 0.06 0.13 -0.01 -0.42 0.00 0.00 0.00 173.10 172.87 1ad1 s ILE 9 N -3.25 3.84 -0.47 0.90 1.01 -1.17 -0.76 121.20 121.31 1ad1 s ILE 9 Ca 0.57 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.91 1ad1 s ILE 9 Cb -0.11 -2.74 0.13 0.00 0.01 0.00 0.00 42.46 39.74 1ad1 s ILE 9 CO 0.53 0.42 0.23 -0.22 0.00 0.00 0.00 174.94 175.90 1ad1 s LEU 10 N 1.13 3.67 -0.19 2.97 2.96 0.10 -4.92 118.68 124.39 1ad1 s LEU 10 Ca 0.02 -2.74 -0.27 0.00 -0.22 0.00 0.00 54.13 50.93 1ad1 s LEU 10 Cb -0.14 -1.38 -0.01 0.00 0.50 0.00 0.00 46.19 45.16 1ad1 s LEU 10 CO 0.01 -0.26 0.91 0.21 -1.32 0.00 0.00 176.35 175.90 1ad1 s ASN 11 N 0.13 7.00 -0.14 3.68 3.84 -1.26 -2.36 114.94 125.83 1ad1 s ASN 11 Ca 0.16 1.24 0.16 0.00 0.21 0.00 0.00 52.86 54.64 1ad1 s ASN 11 Cb -0.25 -2.49 0.40 0.00 -0.55 0.00 0.00 41.25 38.37 1ad1 s ASN 11 CO -0.02 -0.51 1.29 1.33 -2.79 0.00 0.00 177.10 176.40 1ad1 n VAL 12 N 5.00 1.99 -2.45 -5.21 0.24 -0.16 -4.96 118.33 112.77 1ad1 n VAL 12 Ca 0.07 -1.92 -0.41 0.00 -2.04 0.00 0.00 64.34 60.04 1ad1 n VAL 12 Cb 0.48 -0.16 -0.04 0.00 -1.47 0.00 0.00 33.84 32.65 1ad1 n VAL 12 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1ad1 s THR 13 N -2.63 3.85 0.22 3.34 -4.23 -1.24 -4.85 115.64 110.11 1ad1 s THR 13 Ca 0.35 1.50 -0.12 0.00 -1.18 0.00 0.00 61.69 62.23 1ad1 s THR 13 Cb 0.29 -3.96 0.24 0.00 1.34 0.00 0.00 72.50 70.41 1ad1 s THR 13 CO 0.07 0.21 1.63 -0.65 -0.54 0.00 0.00 174.62 175.34 1ad1 h PRO 14 N 5.65 0.02 0.00 3.99 0.11 -1.94 -2.46 132.00 137.36 1ad1 h PRO 14 Ca -0.44 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 1ad1 h PRO 14 Cb 1.21 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1ad1 h PRO 14 CO 0.75 0.01 -0.22 0.38 -0.21 0.00 0.00 178.00 178.71 1ad1 h ASP 15 N 0.02 0.00 0.35 -2.05 2.03 -2.00 -2.75 116.42 112.02 1ad1 h ASP 15 Ca 0.32 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.62 1ad1 h ASP 15 Cb 0.50 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.00 1ad1 h ASP 15 CO -0.65 0.22 0.00 -1.54 -1.03 0.00 0.00 179.24 176.24 1ad1 n SER 16 N -3.91 0.00 -4.66 4.15 3.41 -0.93 -4.71 113.62 106.97 1ad1 n SER 16 Ca -0.02 0.30 -0.42 0.00 -0.26 0.00 0.00 58.87 58.48 1ad1 n SER 16 Cb 0.31 -0.40 -0.04 0.00 -0.26 0.00 0.00 64.21 63.83 1ad1 n SER 16 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1ad1 s PHE 17 N -2.79 3.40 0.00 7.33 0.40 -1.04 -5.01 117.98 120.26 1ad1 s PHE 17 Ca 0.09 1.27 0.00 0.00 -0.60 0.00 0.00 56.93 57.70 1ad1 s PHE 17 Cb 0.09 -3.06 0.00 0.00 0.51 0.00 0.00 43.02 40.56 1ad1 s PHE 17 CO 0.22 -0.29 0.91 -1.13 0.70 0.00 0.00 175.22 175.63 1ad1 n SER 18 N 5.47 0.00 -2.92 1.36 3.41 -1.26 -4.01 113.62 115.66 1ad1 n SER 18 Ca 0.06 0.91 -0.18 0.00 -0.26 0.00 0.00 58.87 59.39 1ad1 n SER 18 Cb 0.48 -0.41 -0.04 0.00 -0.26 0.00 0.00 64.21 63.98 1ad1 n SER 18 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ad1 n ASP 19 N -1.88 4.50 -1.27 4.04 8.00 -1.26 -4.52 116.55 124.16 1ad1 n ASP 19 Ca 0.00 -2.26 -0.15 0.00 0.71 0.00 0.00 54.79 53.10 1ad1 n ASP 19 Cb 0.00 -1.03 -0.06 0.00 -0.02 0.00 0.00 41.12 40.01 1ad1 n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ad1 n GLY 20 N 3.48 1.41 1.96 0.44 0.00 -1.26 -0.77 105.19 110.45 1ad1 n GLY 20 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1ad1 n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ad1 n GLY 21 N -0.14 0.46 0.37 -0.02 0.00 -1.26 -4.93 105.19 99.66 1ad1 n GLY 21 Ca -0.15 -0.51 0.08 0.00 0.00 0.00 0.00 46.02 45.44 1ad1 n GLY 21 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ad1 h LYS 22 N 0.56 0.90 -0.71 1.61 3.64 -1.32 -1.13 116.57 120.11 1ad1 h LYS 22 Ca 0.00 -0.05 -0.32 0.00 -1.27 0.00 0.00 60.65 59.01 1ad1 h LYS 22 Cb 0.00 -0.20 -0.19 0.00 -0.41 0.00 0.00 32.23 31.43 1ad1 h LYS 22 CO 0.00 0.60 0.32 1.19 -2.27 0.00 0.00 179.45 179.29 1ad1 n PHE 23 N -4.59 2.25 -3.14 1.91 3.72 -1.26 -4.80 117.46 111.55 1ad1 n PHE 23 Ca 0.18 -1.56 -0.45 0.00 -0.05 0.00 0.00 57.45 55.58 1ad1 n PHE 23 Cb 0.36 -0.72 -0.01 0.00 -0.94 0.00 0.00 39.48 38.18 1ad1 n PHE 23 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1ad1 s ASN 24 N -1.61 7.08 0.28 4.37 3.04 -0.43 -4.64 114.94 123.03 1ad1 s ASN 24 Ca 0.52 -3.07 -0.17 0.00 0.04 0.00 0.00 52.86 50.19 1ad1 s ASN 24 Cb 0.44 -2.31 0.02 0.00 -1.54 0.00 0.00 41.25 37.86 1ad1 s ASN 24 CO 0.08 -0.59 0.64 0.54 -3.04 0.00 0.00 177.10 174.73 1ad1 s ASN 25 N 2.28 -0.12 0.21 -4.21 2.20 -1.26 -5.07 114.94 108.97 1ad1 s ASN 25 Ca 0.34 -0.81 -0.09 0.00 -0.94 0.00 0.00 52.86 51.35 1ad1 s ASN 25 Cb -0.07 0.69 0.17 0.00 -2.00 0.00 0.00 41.25 40.04 1ad1 s ASN 25 CO -0.05 -1.32 1.83 0.58 -2.94 0.00 0.00 177.10 175.20 1ad1 h VAL 26 N 2.09 1.24 -0.49 3.54 2.07 -1.93 -2.53 116.25 120.23 1ad1 h VAL 26 Ca -0.23 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 66.66 1ad1 h VAL 26 Cb 1.25 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1ad1 h VAL 26 CO 0.30 0.26 0.09 -0.33 0.02 0.00 0.00 177.57 177.91 1ad1 h GLU 27 N 1.10 0.76 -0.22 1.57 4.39 -1.97 -0.70 114.58 119.51 1ad1 h GLU 27 Ca 0.28 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.74 1ad1 h GLU 27 Cb 0.02 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.56 1ad1 h GLU 27 CO -0.05 0.71 -0.17 0.77 -1.16 0.00 0.00 179.01 179.12 1ad1 h SER 28 N 0.73 0.53 -0.79 1.42 0.02 -1.79 -2.49 113.55 111.18 1ad1 h SER 28 Ca 0.16 -0.45 0.06 0.00 -0.84 0.00 0.00 61.79 60.71 1ad1 h SER 28 Cb 0.31 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 1ad1 h SER 28 CO 0.00 0.87 0.52 0.00 -1.14 0.00 0.00 176.83 177.08 1ad1 h ALA 29 N 0.68 1.60 -0.44 3.77 0.00 -1.16 -0.61 119.26 123.10 1ad1 h ALA 29 Ca 0.04 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1ad1 h ALA 29 Cb 0.70 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1ad1 h ALA 29 CO 0.04 0.29 -0.20 0.28 0.00 0.00 0.00 179.25 179.67 1ad1 h VAL 30 N 0.90 1.27 -0.41 0.00 2.07 -0.98 -0.42 116.25 118.67 1ad1 h VAL 30 Ca 0.33 -1.33 -0.04 0.00 0.82 0.00 0.00 66.70 66.48 1ad1 h VAL 30 Cb 0.18 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1ad1 h VAL 30 CO -0.11 0.45 0.08 0.74 0.02 0.00 0.00 177.57 178.75 1ad1 h THR 31 N 0.76 1.24 -0.23 2.57 2.02 -0.86 -1.65 112.91 116.75 1ad1 h THR 31 Ca 0.11 -0.84 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 1ad1 h THR 31 Cb 0.73 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1ad1 h THR 31 CO 0.06 0.29 0.12 0.03 0.37 0.00 0.00 175.52 176.39 1ad1 h ARG 32 N 0.53 0.33 -0.89 6.66 3.08 -0.94 -2.10 114.38 121.05 1ad1 h ARG 32 Ca 0.13 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1ad1 h ARG 32 Cb 0.35 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1ad1 h ARG 32 CO 0.00 0.31 0.48 0.28 -1.07 0.00 0.00 179.97 179.98 1ad1 h VAL 33 N 0.26 1.26 -0.73 2.04 2.07 -1.01 -1.01 116.25 119.12 1ad1 h VAL 33 Ca 0.08 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 1ad1 h VAL 33 Cb 0.08 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 29.88 1ad1 h VAL 33 CO -0.01 0.29 0.33 0.11 0.02 0.00 0.00 177.57 178.31 1ad1 h LYS 34 N 1.24 1.05 -0.27 1.57 1.57 -1.10 -0.64 116.57 120.00 1ad1 h LYS 34 Ca 0.31 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1ad1 h LYS 34 Cb 0.03 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1ad1 h LYS 34 CO -0.05 0.83 0.01 0.00 -0.57 0.00 0.00 179.45 179.67 1ad1 h ALA 35 N 1.32 0.37 -0.70 3.86 0.00 -0.72 -1.92 119.26 121.46 1ad1 h ALA 35 Ca 0.25 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1ad1 h ALA 35 Cb 0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1ad1 h ALA 35 CO -0.03 0.10 0.33 0.52 0.00 0.00 0.00 179.25 180.17 1ad1 h MET 36 N 0.27 1.00 -0.39 0.00 2.86 -0.85 -0.83 114.93 116.99 1ad1 h MET 36 Ca 0.08 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1ad1 h MET 36 Cb 0.40 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1ad1 h MET 36 CO 0.01 0.77 0.10 0.52 1.06 0.00 0.00 176.91 179.38 1ad1 h MET 37 N 0.99 0.62 -0.71 1.72 2.07 -1.03 -0.13 114.93 118.47 1ad1 h MET 37 Ca 0.24 -0.15 -0.02 0.00 -2.07 0.00 0.00 59.70 57.71 1ad1 h MET 37 Cb 0.11 -0.08 -0.03 0.00 -1.87 0.00 0.00 31.60 29.72 1ad1 h MET 37 CO -0.03 0.64 0.36 0.22 1.07 0.00 0.00 176.91 179.18 1ad1 h ASP 38 N 0.49 0.90 0.47 1.22 3.58 -0.89 -1.71 116.42 120.48 1ad1 h ASP 38 Ca 0.12 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1ad1 h ASP 38 Cb 0.30 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.12 1ad1 h ASP 38 CO 0.00 0.74 0.00 -0.62 -2.88 0.00 0.00 179.24 176.48 1ad1 n GLU 39 N -4.35 0.30 0.00 0.28 1.02 -0.36 -4.90 120.64 112.64 1ad1 n GLU 39 Ca 0.07 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1ad1 n GLU 39 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 1ad1 n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ad1 n GLY 40 N 0.72 1.32 3.76 0.62 0.00 -0.64 -3.92 105.19 107.04 1ad1 n GLY 40 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1ad1 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ad1 s ALA 41 N -2.00 3.52 -0.14 4.61 0.00 -0.10 -4.74 121.76 122.90 1ad1 s ALA 41 Ca 0.00 1.19 0.17 0.00 0.00 0.00 0.00 51.96 53.32 1ad1 s ALA 41 Cb 0.00 -3.48 -0.24 0.00 0.00 0.00 0.00 23.12 19.40 1ad1 s ALA 41 CO 0.00 -0.58 0.30 -0.25 0.00 0.00 0.00 175.76 175.23 1ad1 n ASP 42 N 1.58 0.29 -4.01 0.00 8.00 0.36 -4.69 116.55 118.10 1ad1 n ASP 42 Ca 0.03 0.14 -0.12 0.00 0.71 0.00 0.00 54.79 55.55 1ad1 n ASP 42 Cb 0.42 0.71 -0.12 0.00 -0.02 0.00 0.00 41.12 42.11 1ad1 n ASP 42 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ad1 s ILE 43 N -2.60 0.33 -0.18 0.53 1.01 -0.91 -1.25 121.20 118.13 1ad1 s ILE 43 Ca -0.08 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.73 1ad1 s ILE 43 Cb 0.07 -0.41 0.01 0.00 0.01 0.00 0.00 42.46 42.15 1ad1 s ILE 43 CO 0.83 -0.35 -0.17 -0.63 0.00 0.00 0.00 174.94 174.62 1ad1 s ILE 44 N -1.17 2.30 -0.46 2.92 -1.09 -0.04 -0.14 121.20 123.52 1ad1 s ILE 44 Ca -0.10 -0.86 -0.18 0.00 -2.23 0.00 0.00 60.65 57.28 1ad1 s ILE 44 Cb -0.08 -1.98 0.05 0.00 -1.58 0.00 0.00 42.46 38.86 1ad1 s ILE 44 CO -0.00 0.52 0.50 -0.62 -1.23 0.00 0.00 174.94 174.11 1ad1 s ASP 45 N 1.24 6.20 -0.17 3.58 2.15 0.06 -0.58 116.67 129.15 1ad1 s ASP 45 Ca 0.03 -0.90 -0.15 0.00 0.43 0.00 0.00 52.55 51.97 1ad1 s ASP 45 Cb -0.14 -2.24 -0.04 0.00 -0.30 0.00 0.00 42.92 40.20 1ad1 s ASP 45 CO -0.10 -0.72 0.35 -0.69 -0.17 0.00 0.00 175.17 173.84 1ad1 s VAL 46 N 2.23 5.26 -0.05 1.11 1.01 0.82 -0.72 120.40 130.05 1ad1 s VAL 46 Ca 0.12 0.64 -0.05 0.00 0.00 0.00 0.00 61.98 62.69 1ad1 s VAL 46 Cb -0.19 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.52 1ad1 s VAL 46 CO 0.12 0.34 0.14 -0.83 0.00 0.00 0.00 175.10 174.86 1ad1 s GLY 47 N 0.69 -0.10 0.00 4.51 0.00 -1.00 -0.01 107.32 111.42 1ad1 s GLY 47 Ca 0.18 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.33 1ad1 s GLY 47 CO 0.06 0.41 0.60 0.61 0.00 0.00 0.00 173.10 174.79 1ad1 n GLY 48 N 3.13 -0.26 3.08 0.20 0.00 -1.26 -0.99 105.19 109.10 1ad1 n GLY 48 Ca -0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 1ad1 n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ad1 s VAL 49 N -0.26 0.27 0.01 1.61 -7.23 -1.26 -4.58 120.40 108.96 1ad1 s VAL 49 Ca 0.00 -1.63 0.03 0.00 -1.81 0.00 0.00 61.98 58.58 1ad1 s VAL 49 Cb 0.00 -1.27 -0.01 0.00 0.56 0.00 0.00 36.38 35.66 1ad1 s VAL 49 CO 0.00 -0.87 -0.11 -0.55 -0.31 0.00 0.00 175.10 173.26 1ad1 s SER 50 N -2.61 1.26 -0.06 4.85 0.15 -1.26 -4.97 113.70 111.05 1ad1 s SER 50 Ca 0.03 -0.28 0.17 0.00 0.70 0.00 0.00 55.95 56.57 1ad1 s SER 50 Cb 0.04 -0.11 0.60 0.00 -1.71 0.00 0.00 66.02 64.84 1ad1 s SER 50 CO -0.07 0.07 1.49 0.35 1.20 0.00 0.00 173.24 176.28 1ad1 n THR 51 N 2.49 1.32 -2.37 6.45 -2.24 -1.26 -4.86 114.28 113.81 1ad1 n THR 51 Ca -0.15 -0.95 -0.40 0.00 -2.27 0.00 0.00 64.05 60.27 1ad1 n THR 51 Cb 0.56 0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 68.94 1ad1 n THR 51 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ad1 s ARG 52 N -1.58 4.55 0.32 -0.78 0.52 -1.26 -4.97 118.95 115.74 1ad1 s ARG 52 Ca 0.43 1.92 -0.29 0.00 -0.52 0.00 0.00 55.73 57.27 1ad1 s ARG 52 Cb 0.26 -3.14 -0.12 0.00 0.52 0.00 0.00 34.95 32.47 1ad1 s ARG 52 CO 0.24 0.09 1.54 -2.30 0.02 0.00 0.00 175.30 174.88 1ad1 n PRO 53 N 1.05 2.63 -0.63 3.54 -0.02 -1.26 -2.67 135.00 137.63 1ad1 n PRO 53 Ca -0.01 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1ad1 n PRO 53 Cb 0.44 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 1ad1 n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ad1 n GLY 54 N 1.56 0.73 3.96 -1.23 0.00 -1.26 -5.06 105.19 103.89 1ad1 n GLY 54 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 1ad1 n GLY 54 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ad1 s HIS 55 N -2.45 2.58 0.29 1.61 3.76 -1.09 -5.04 115.29 114.95 1ad1 s HIS 55 Ca 0.00 0.14 -0.29 0.00 -0.15 0.00 0.00 55.06 54.76 1ad1 s HIS 55 Cb 0.00 -3.05 -0.10 0.00 1.11 0.00 0.00 32.58 30.54 1ad1 s HIS 55 CO 0.00 -1.34 1.34 -2.00 -0.85 0.00 0.00 174.74 171.89 1ad1 s GLU 56 N -5.09 4.34 -0.34 1.40 2.12 -1.26 -5.00 118.70 114.86 1ad1 s GLU 56 Ca 0.61 2.22 -0.08 0.00 0.36 0.00 0.00 54.97 58.07 1ad1 s GLU 56 Cb -0.09 -3.10 0.03 0.00 0.26 0.00 0.00 34.13 31.23 1ad1 s GLU 56 CO 0.43 -0.25 0.14 -1.64 -0.54 0.00 0.00 175.26 173.40 1ad1 s MET 57 N -1.21 2.82 0.29 4.30 -1.94 -1.26 -4.79 119.30 117.50 1ad1 s MET 57 Ca 0.53 -1.06 0.09 0.00 -1.71 0.00 0.00 55.69 53.53 1ad1 s MET 57 Cb -0.40 -3.56 -0.04 0.00 2.01 0.00 0.00 34.83 32.84 1ad1 s MET 57 CO 0.49 -0.63 0.04 0.96 -0.01 0.00 0.00 175.02 175.87 1ad1 s ILE 58 N 1.49 3.38 0.77 2.53 -4.36 -1.26 -5.13 121.20 118.61 1ad1 s ILE 58 Ca 0.01 -1.83 -0.12 0.00 -0.26 0.00 0.00 60.65 58.45 1ad1 s ILE 58 Cb -0.19 -2.91 0.05 0.00 1.25 0.00 0.00 42.46 40.66 1ad1 s ILE 58 CO 0.04 -0.32 1.14 0.42 0.24 0.00 0.00 174.94 176.46 1ad1 s THR 59 N -2.35 2.72 0.19 8.37 -4.23 -1.26 -4.86 115.64 114.21 1ad1 s THR 59 Ca 0.33 0.23 -0.10 0.00 -1.18 0.00 0.00 61.69 60.98 1ad1 s THR 59 Cb -0.05 -3.20 0.09 0.00 1.34 0.00 0.00 72.50 70.68 1ad1 s THR 59 CO 0.21 -0.30 1.70 0.58 -0.54 0.00 0.00 174.62 176.26 1ad1 h VAL 60 N -0.92 1.26 -0.42 2.29 2.07 -2.00 0.07 116.25 118.60 1ad1 h VAL 60 Ca -0.46 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.09 1ad1 h VAL 60 Cb 1.29 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1ad1 h VAL 60 CO 0.64 0.36 0.25 -0.08 0.02 0.00 0.00 177.57 178.76 1ad1 h GLU 61 N 0.98 0.58 -0.18 1.57 4.81 -1.98 0.65 114.58 121.01 1ad1 h GLU 61 Ca 0.20 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1ad1 h GLU 61 Cb 0.38 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1ad1 h GLU 61 CO 0.00 0.45 0.09 1.49 -0.73 0.00 0.00 179.01 180.31 1ad1 h GLU 62 N 0.56 0.26 -0.54 1.92 4.57 -1.86 0.35 114.58 119.85 1ad1 h GLU 62 Ca 0.15 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.32 1ad1 h GLU 62 Cb 0.02 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.53 1ad1 h GLU 62 CO -0.03 0.30 0.32 1.49 -1.18 0.00 0.00 179.01 179.91 1ad1 h GLU 63 N 0.16 0.62 -0.80 1.92 4.81 -0.73 -0.63 114.58 119.93 1ad1 h GLU 63 Ca 0.06 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1ad1 h GLU 63 Cb 0.12 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 1ad1 h GLU 63 CO -0.01 0.41 0.53 -0.07 -0.73 0.00 0.00 179.01 179.14 1ad1 h LEU 64 N 0.64 0.87 -0.82 1.64 3.38 -0.57 -0.63 115.31 119.82 1ad1 h LEU 64 Ca 0.22 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.21 1ad1 h LEU 64 Cb 0.02 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 1ad1 h LEU 64 CO -0.10 0.61 0.52 0.78 0.09 0.00 0.00 178.44 180.35 1ad1 h ASN 65 N 1.02 0.87 -0.08 -0.43 2.35 0.58 -0.28 115.58 119.61 1ad1 h ASN 65 Ca 0.31 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.00 1ad1 h ASN 65 Cb -0.01 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.17 1ad1 h ASN 65 CO -0.08 0.60 -0.18 0.03 -1.65 0.00 0.00 177.43 176.14 1ad1 h ARG 66 N 1.02 0.27 0.06 0.81 3.08 -0.46 -3.40 114.38 115.76 1ad1 h ARG 66 Ca 0.33 -0.18 -0.21 0.00 0.07 0.00 0.00 59.98 59.99 1ad1 h ARG 66 Cb 0.01 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1ad1 h ARG 66 CO -0.12 0.78 -1.07 0.28 -1.07 0.00 0.00 179.97 178.78 1ad1 h VAL 67 N -0.20 1.17 -0.46 2.04 2.07 -1.06 -3.40 116.25 116.40 1ad1 h VAL 67 Ca 0.00 -2.34 0.09 0.00 0.82 0.00 0.00 66.70 65.28 1ad1 h VAL 67 Cb 0.78 2.74 -0.10 0.00 -1.52 0.00 0.00 31.29 33.19 1ad1 h VAL 67 CO 0.04 0.58 -0.23 -0.07 0.02 0.00 0.00 177.57 177.91 1ad1 h LEU 68 N -0.63 -0.79 -1.48 2.57 4.07 -1.27 0.36 115.31 118.14 1ad1 h LEU 68 Ca -0.25 0.18 -0.02 0.00 0.08 0.00 0.00 57.88 57.86 1ad1 h LEU 68 Cb 1.48 0.42 -0.02 0.00 1.08 0.00 0.00 40.66 43.63 1ad1 h LEU 68 CO -0.02 -0.25 0.09 -0.65 -1.08 0.00 0.00 178.44 176.53 1ad1 h PRO 69 N -0.13 0.44 -0.08 1.13 0.11 -1.77 -0.69 132.00 131.01 1ad1 h PRO 69 Ca 0.22 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 66.13 1ad1 h PRO 69 Cb 0.47 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.51 1ad1 h PRO 69 CO -0.55 0.39 -0.48 0.28 -0.21 0.00 0.00 178.00 177.44 1ad1 h VAL 70 N 0.44 1.39 0.02 3.15 2.07 -1.60 -2.79 116.25 118.93 1ad1 h VAL 70 Ca 0.11 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.78 1ad1 h VAL 70 Cb 0.14 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1ad1 h VAL 70 CO -0.01 0.55 -0.04 0.58 0.02 0.00 0.00 177.57 178.67 1ad1 h VAL 71 N 0.01 0.90 -0.90 2.57 2.07 -0.72 -2.56 116.25 117.63 1ad1 h VAL 71 Ca -0.04 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.60 1ad1 h VAL 71 Cb 1.14 0.90 -0.08 0.00 -1.52 0.00 0.00 31.29 31.73 1ad1 h VAL 71 CO 0.10 0.00 0.53 -0.08 0.02 0.00 0.00 177.57 178.13 1ad1 h GLU 72 N -0.08 0.80 0.00 1.57 4.81 -1.17 0.11 114.58 120.61 1ad1 h GLU 72 Ca 0.01 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.10 1ad1 h GLU 72 Cb 0.09 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1ad1 h GLU 72 CO -0.03 0.53 -0.42 0.00 -0.73 0.00 0.00 179.01 178.36 1ad1 h ALA 73 N 1.51 1.24 0.00 2.92 0.00 -1.24 -3.33 119.26 120.35 1ad1 h ALA 73 Ca 0.45 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ad1 h ALA 73 Cb 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ad1 h ALA 73 CO -0.28 0.53 -1.00 0.44 0.00 0.00 0.00 179.25 178.93 1ad1 n ILE 74 N -3.94 0.00 0.33 0.00 -5.35 -0.93 -4.58 119.36 104.89 1ad1 n ILE 74 Ca -0.02 -0.25 0.22 0.00 -0.27 0.00 0.00 62.75 62.43 1ad1 n ILE 74 Cb 0.46 0.64 1.18 0.00 -1.74 0.00 0.00 39.64 40.18 1ad1 n ILE 74 CO 0.00 0.00 0.00 1.62 -1.76 0.00 0.00 176.55 176.41 1ad1 h VAL 75 N 0.00 0.09 0.00 7.28 3.04 -0.91 -0.61 116.25 125.14 1ad1 h VAL 75 Ca 0.00 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1ad1 h VAL 75 Cb 0.39 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 1ad1 h VAL 75 CO 0.00 0.00 -0.13 1.23 -1.01 0.00 0.00 177.57 177.66 1ad1 h GLY 76 N 0.01 0.00 -1.62 3.17 0.00 -1.81 -3.47 103.07 99.35 1ad1 h GLY 76 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 1ad1 h GLY 76 CO 0.00 0.00 0.36 -1.36 0.00 0.00 0.00 176.54 175.54 1ad1 s PHE 77 N -3.17 2.33 -1.43 5.60 0.08 -0.24 -4.91 117.98 116.25 1ad1 s PHE 77 Ca 0.08 1.59 -0.11 0.00 0.12 0.00 0.00 56.93 58.61 1ad1 s PHE 77 Cb 0.09 -3.26 0.06 0.00 -0.57 0.00 0.00 43.02 39.33 1ad1 s PHE 77 CO 0.65 -2.10 2.30 -3.47 -0.10 0.00 0.00 175.22 172.50 1ad1 n ASP 78 N -2.85 5.55 -3.62 1.36 2.03 -1.26 -4.77 116.55 112.99 1ad1 n ASP 78 Ca 0.11 -2.89 -0.16 0.00 0.52 0.00 0.00 54.79 52.38 1ad1 n ASP 78 Cb 0.52 -1.56 -0.07 0.00 -0.72 0.00 0.00 41.12 39.28 1ad1 n ASP 78 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ad1 s VAL 79 N 1.84 0.03 0.37 5.18 0.11 -1.26 -5.06 120.40 121.60 1ad1 s VAL 79 Ca 0.50 -0.21 -0.19 0.00 -2.93 0.00 0.00 61.98 59.16 1ad1 s VAL 79 Cb 0.14 -0.85 -0.10 0.00 -1.53 0.00 0.00 36.38 34.04 1ad1 s VAL 79 CO -0.06 -0.11 0.85 -0.54 -3.33 0.00 0.00 175.10 171.90 1ad1 s LYS 80 N -1.39 4.16 -0.14 1.54 1.02 -0.38 -4.94 119.74 119.61 1ad1 s LYS 80 Ca -0.11 0.93 0.00 0.00 0.02 0.00 0.00 55.97 56.81 1ad1 s LYS 80 Cb -0.02 -2.36 -0.01 0.00 -0.52 0.00 0.00 37.83 34.92 1ad1 s LYS 80 CO 0.06 0.09 -0.15 0.42 -0.92 0.00 0.00 175.35 174.86 1ad1 s ILE 81 N -2.03 2.77 0.08 2.17 -1.09 -1.26 -0.86 121.20 120.98 1ad1 s ILE 81 Ca 0.57 -0.74 0.08 0.00 -2.23 0.00 0.00 60.65 58.33 1ad1 s ILE 81 Cb -0.11 -2.16 -0.04 0.00 -1.58 0.00 0.00 42.46 38.58 1ad1 s ILE 81 CO 0.16 0.52 -0.19 -0.55 -1.23 0.00 0.00 174.94 173.65 1ad1 s SER 82 N 0.65 3.79 -0.11 3.58 0.15 0.25 -0.44 113.70 121.58 1ad1 s SER 82 Ca -0.08 -0.50 0.02 0.00 0.70 0.00 0.00 55.95 56.08 1ad1 s SER 82 Cb -0.16 -0.55 0.02 0.00 -1.71 0.00 0.00 66.02 63.62 1ad1 s SER 82 CO 0.02 0.22 -0.15 -0.69 1.20 0.00 0.00 173.24 173.84 1ad1 s VAL 83 N -1.02 1.49 -0.78 4.45 1.01 -0.20 -0.13 120.40 125.22 1ad1 s VAL 83 Ca 0.16 -0.63 -0.26 0.00 0.00 0.00 0.00 61.98 61.24 1ad1 s VAL 83 Cb -0.10 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 34.94 1ad1 s VAL 83 CO 0.07 0.44 1.39 -1.81 0.00 0.00 0.00 175.10 175.19 1ad1 s ASP 84 N 1.03 6.11 -0.05 3.32 1.01 0.98 -0.33 116.67 128.74 1ad1 s ASP 84 Ca -0.06 -0.57 -0.16 0.00 0.71 0.00 0.00 52.55 52.48 1ad1 s ASP 84 Cb -0.15 -2.56 0.03 0.00 1.01 0.00 0.00 42.92 41.26 1ad1 s ASP 84 CO -0.02 -1.86 0.37 0.28 0.21 0.00 0.00 175.17 174.15 1ad1 s THR 85 N 6.04 0.04 -0.46 -1.27 -1.32 -0.74 -4.35 115.64 113.57 1ad1 s THR 85 Ca 0.41 -0.30 0.05 0.00 -1.21 0.00 0.00 61.69 60.64 1ad1 s THR 85 Cb -0.07 -0.64 0.14 0.00 -1.51 0.00 0.00 72.50 70.43 1ad1 s THR 85 CO 0.10 -0.17 1.10 2.22 -2.21 0.00 0.00 174.62 175.67 1ad1 n PHE 86 N 1.65 0.21 -4.20 9.09 1.16 -1.26 -3.76 117.46 120.35 1ad1 n PHE 86 Ca -0.19 -0.47 -0.34 0.00 -1.87 0.00 0.00 57.45 54.58 1ad1 n PHE 86 Cb 0.56 -0.04 -0.15 0.00 -1.61 0.00 0.00 39.48 38.25 1ad1 n PHE 86 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 1ad1 s ARG 87 N -0.97 3.18 0.48 3.97 0.52 -1.26 -4.02 118.95 120.85 1ad1 s ARG 87 Ca 0.11 -0.74 0.18 0.00 -0.52 0.00 0.00 55.73 54.76 1ad1 s ARG 87 Cb 0.06 -2.72 1.19 0.00 0.52 0.00 0.00 34.95 34.00 1ad1 s ARG 87 CO 0.08 -0.13 2.01 0.66 0.02 0.00 0.00 175.30 177.94 1ad1 h SER 88 N 7.77 0.20 -0.18 0.23 4.64 -1.92 -1.28 113.55 122.99 1ad1 h SER 88 Ca -0.40 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.82 1ad1 h SER 88 Cb 1.16 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1ad1 h SER 88 CO 0.60 0.12 -0.23 -0.33 -0.87 0.00 0.00 176.83 176.12 1ad1 h GLU 89 N 0.22 0.64 -0.16 4.77 5.08 -1.97 0.37 114.58 123.52 1ad1 h GLU 89 Ca 0.23 -0.25 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 1ad1 h GLU 89 Cb 0.64 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1ad1 h GLU 89 CO -0.04 0.81 -0.41 0.28 -1.00 0.00 0.00 179.01 178.65 1ad1 h VAL 90 N 0.56 1.35 -0.08 3.13 2.07 -1.64 -2.99 116.25 118.64 1ad1 h VAL 90 Ca 0.08 -1.67 0.03 0.00 0.82 0.00 0.00 66.70 65.95 1ad1 h VAL 90 Cb 0.69 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.43 1ad1 h VAL 90 CO 0.05 0.51 -0.07 0.00 0.02 0.00 0.00 177.57 178.08 1ad1 h ALA 91 N 0.55 -0.00 -0.49 1.67 0.00 -0.90 -2.51 119.26 117.58 1ad1 h ALA 91 Ca -0.01 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1ad1 h ALA 91 Cb 1.02 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1ad1 h ALA 91 CO 0.09 -0.54 0.29 1.49 0.00 0.00 0.00 179.25 180.58 1ad1 h GLU 92 N -0.09 0.55 -0.52 0.00 4.81 -0.33 0.10 114.58 119.10 1ad1 h GLU 92 Ca 0.06 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1ad1 h GLU 92 Cb 0.17 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 1ad1 h GLU 92 CO -0.14 0.37 0.29 0.00 -0.73 0.00 0.00 179.01 178.80 1ad1 h ALA 93 N 1.22 0.67 -0.52 2.92 0.00 -1.42 -0.42 119.26 121.71 1ad1 h ALA 93 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1ad1 h ALA 93 Cb 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1ad1 h ALA 93 CO -0.10 -0.02 -0.10 0.00 0.00 0.00 0.00 179.25 179.03 1ad1 h LEU 95 N 0.87 0.77 -1.70 0.00 3.38 -0.32 -1.40 115.31 116.91 1ad1 h LEU 95 Ca 0.14 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1ad1 h LEU 95 Cb 0.65 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1ad1 h LEU 95 CO 0.04 0.79 -0.16 0.11 0.09 0.00 0.00 178.44 179.32 1ad1 h LYS 96 N 0.78 0.00 -0.00 1.13 1.57 -0.86 0.32 116.57 119.50 1ad1 h LYS 96 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1ad1 h LYS 96 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1ad1 h LYS 96 CO 0.01 0.16 -0.02 1.28 -0.57 0.00 0.00 179.45 180.30 1ad1 n LEU 97 N -4.29 0.25 0.00 2.94 4.77 -0.56 -4.93 117.00 115.17 1ad1 n LEU 97 Ca -0.02 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1ad1 n LEU 97 Cb 0.23 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1ad1 n LEU 97 CO 0.36 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1ad1 n GLY 98 N 1.14 0.84 3.77 -0.72 0.00 0.10 -4.92 105.19 105.39 1ad1 n GLY 98 Ca 0.19 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1ad1 n GLY 98 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ad1 s VAL 99 N -2.00 3.30 -0.18 1.61 -7.23 -0.99 -4.90 120.40 110.01 1ad1 s VAL 99 Ca 0.00 0.50 0.09 0.00 -1.81 0.00 0.00 61.98 60.76 1ad1 s VAL 99 Cb 0.00 -3.00 -0.22 0.00 0.56 0.00 0.00 36.38 33.71 1ad1 s VAL 99 CO 0.00 -0.48 0.13 0.47 -0.31 0.00 0.00 175.10 174.92 1ad1 n ASP 100 N -3.03 1.07 -4.09 4.85 8.00 0.42 -4.76 116.55 119.01 1ad1 n ASP 100 Ca 0.10 0.07 -0.19 0.00 0.71 0.00 0.00 54.79 55.47 1ad1 n ASP 100 Cb 0.53 0.11 -0.14 0.00 -0.02 0.00 0.00 41.12 41.60 1ad1 n ASP 100 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ad1 s ILE 101 N -2.53 0.90 -0.24 0.53 1.01 -0.36 -2.06 121.20 118.45 1ad1 s ILE 101 Ca -0.18 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 59.67 1ad1 s ILE 101 Cb 0.07 -0.81 0.02 0.00 0.01 0.00 0.00 42.46 41.75 1ad1 s ILE 101 CO 0.75 0.04 -0.06 -0.63 0.00 0.00 0.00 174.94 175.04 1ad1 s ILE 102 N -0.67 2.95 -0.70 2.92 -1.09 -0.62 -1.03 121.20 122.96 1ad1 s ILE 102 Ca 0.01 -0.94 -0.17 0.00 -2.23 0.00 0.00 60.65 57.32 1ad1 s ILE 102 Cb -0.06 -2.47 0.15 0.00 -1.58 0.00 0.00 42.46 38.50 1ad1 s ILE 102 CO 0.01 0.24 0.73 0.21 -1.23 0.00 0.00 174.94 174.89 1ad1 s ASN 103 N 1.35 6.43 -0.61 3.58 3.84 0.55 -1.09 114.94 128.99 1ad1 s ASN 103 Ca 0.01 -2.00 -0.21 0.00 0.21 0.00 0.00 52.86 50.87 1ad1 s ASN 103 Cb -0.16 -2.26 0.08 0.00 -0.55 0.00 0.00 41.25 38.35 1ad1 s ASN 103 CO -0.04 -0.88 0.83 -0.62 -2.79 0.00 0.00 177.10 173.60 1ad1 s ASP 104 N 3.16 6.20 0.00 -4.21 -1.08 -0.67 -1.80 116.67 118.27 1ad1 s ASP 104 Ca 0.14 -1.08 0.00 0.00 -0.52 0.00 0.00 52.55 51.10 1ad1 s ASP 104 Cb -0.18 -2.36 0.02 0.00 -1.46 0.00 0.00 42.92 38.93 1ad1 s ASP 104 CO -0.01 -1.24 0.95 0.00 0.52 0.00 0.00 175.17 175.39 1ad1 n GLN 105 N 7.01 0.00 -0.01 4.34 6.02 -1.26 -1.12 117.38 132.36 1ad1 n GLN 105 Ca -0.06 0.43 0.05 0.00 -0.01 0.00 0.00 57.00 57.42 1ad1 n GLN 105 Cb 0.45 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 30.25 1ad1 n GLN 105 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1ad1 n TRP 106 N -1.44 0.02 -3.56 1.08 7.02 -1.26 -4.51 117.44 114.79 1ad1 n TRP 106 Ca 0.00 -0.03 -0.26 0.00 -1.02 0.00 0.00 57.50 56.20 1ad1 n TRP 106 Cb 0.00 -0.00 0.04 0.00 -2.42 0.00 0.00 31.31 28.94 1ad1 n TRP 106 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ad1 n ALA 107 N 0.55 -1.20 -0.92 6.99 0.00 -0.27 -1.07 120.51 124.59 1ad1 n ALA 107 Ca 0.06 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1ad1 n ALA 107 Cb 0.26 -4.56 0.00 0.00 0.00 0.00 0.00 19.45 15.15 1ad1 n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ad1 n GLY 108 N -1.71 0.58 0.17 0.00 0.00 -1.26 -4.85 105.19 98.11 1ad1 n GLY 108 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.05 1ad1 n GLY 108 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ad1 h LEU 109 N 0.00 0.00 0.07 0.99 3.38 -1.48 -3.05 115.31 115.22 1ad1 h LEU 109 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1ad1 h LEU 109 Cb 0.11 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.88 1ad1 h LEU 109 CO 0.00 0.45 -0.58 0.22 0.09 0.00 0.00 178.44 178.61 1ad1 h TYR 110 N 0.00 0.45 -2.98 1.13 5.03 -1.85 -3.43 116.97 115.32 1ad1 h TYR 110 Ca -0.00 -0.30 -0.52 0.00 2.58 0.00 0.00 58.73 60.49 1ad1 h TYR 110 Cb 1.11 -0.03 -0.40 0.00 1.55 0.00 0.00 36.73 38.95 1ad1 h TYR 110 CO 0.00 1.18 -0.77 0.34 -1.32 0.00 0.00 178.16 177.60 1ad1 s ASP 111 N -6.74 3.22 0.39 -2.11 2.15 -1.22 -5.01 116.67 107.35 1ad1 s ASP 111 Ca -0.14 -1.10 0.28 0.00 0.43 0.00 0.00 52.55 52.02 1ad1 s ASP 111 Cb 0.01 -0.44 1.35 0.00 -0.30 0.00 0.00 42.92 43.54 1ad1 s ASP 111 CO 0.80 -0.39 1.85 -0.74 -0.17 0.00 0.00 175.17 176.51 1ad1 h HIS 112 N 8.34 0.00 0.00 -5.34 -0.00 -1.82 -2.24 115.15 114.09 1ad1 h HIS 112 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.20 1ad1 h HIS 112 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.47 1ad1 h HIS 112 CO 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 177.93 178.19 1ad1 h ARG 113 N 0.00 0.00 -1.00 5.26 3.08 -1.95 -3.10 114.38 116.67 1ad1 h ARG 113 Ca 0.00 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.26 1ad1 h ARG 113 Cb 0.21 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.15 1ad1 h ARG 113 CO 0.00 0.00 0.61 1.98 -1.07 0.00 0.00 179.97 181.49 1ad1 h MET 114 N 0.00 0.65 0.29 0.04 4.05 -1.75 -0.46 114.93 117.75 1ad1 h MET 114 Ca 0.00 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 1ad1 h MET 114 Cb 0.34 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.00 1ad1 h MET 114 CO 0.00 0.43 -0.14 0.74 0.23 0.00 0.00 176.91 178.17 1ad1 h PHE 115 N 0.67 -0.37 -0.05 1.39 0.04 -1.79 -0.36 116.94 116.47 1ad1 h PHE 115 Ca 0.59 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 61.27 1ad1 h PHE 115 Cb 1.04 0.12 -0.01 0.00 2.20 0.00 0.00 35.95 39.30 1ad1 h PHE 115 CO -0.00 -0.12 -0.30 -0.56 -0.60 0.00 0.00 178.31 176.72 1ad1 h GLN 116 N -0.57 0.10 0.00 1.51 3.07 -1.66 -1.61 115.11 115.95 1ad1 h GLN 116 Ca -0.04 -0.03 -0.00 0.00 0.09 0.00 0.00 58.65 58.67 1ad1 h GLN 116 Cb 0.41 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.97 1ad1 h GLN 116 CO 0.07 0.39 -0.00 0.28 0.09 0.00 0.00 178.83 179.66 1ad1 h VAL 117 N 0.09 1.20 -0.66 1.86 2.07 -0.85 0.12 116.25 120.07 1ad1 h VAL 117 Ca 0.01 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 1ad1 h VAL 117 Cb 0.58 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 1ad1 h VAL 117 CO 0.04 0.15 0.33 0.58 0.02 0.00 0.00 177.57 178.70 1ad1 h VAL 118 N -0.25 1.22 -0.48 2.57 2.07 -0.95 -2.73 116.25 117.69 1ad1 h VAL 118 Ca -0.00 -0.59 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 1ad1 h VAL 118 Cb 0.25 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1ad1 h VAL 118 CO 0.00 0.25 0.01 0.00 0.02 0.00 0.00 177.57 177.85 1ad1 h ALA 119 N 1.16 1.12 -0.17 1.67 0.00 -1.20 -1.63 119.26 120.21 1ad1 h ALA 119 Ca 0.23 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1ad1 h ALA 119 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1ad1 h ALA 119 CO -0.03 0.57 0.11 -0.22 0.00 0.00 0.00 179.25 179.68 1ad1 h LYS 120 N 0.74 0.15 -0.63 0.00 3.64 -0.45 -1.37 116.57 118.64 1ad1 h LYS 120 Ca 0.15 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1ad1 h LYS 120 Cb 0.44 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1ad1 h LYS 120 CO 0.02 0.10 0.00 0.66 -2.27 0.00 0.00 179.45 177.95 1ad1 n TYR 121 N -4.51 0.92 -3.77 1.91 4.01 -0.98 -4.96 117.16 109.78 1ad1 n TYR 121 Ca 0.00 -0.52 -0.29 0.00 -0.16 0.00 0.00 57.90 56.93 1ad1 n TYR 121 Cb 0.14 -0.04 0.02 0.00 -0.31 0.00 0.00 39.34 39.15 1ad1 n TYR 121 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1ad1 n ASP 122 N 1.31 -4.66 -4.11 7.72 8.00 -0.52 -4.97 116.55 119.32 1ad1 n ASP 122 Ca 0.22 -0.69 -0.14 0.00 0.71 0.00 0.00 54.79 54.89 1ad1 n ASP 122 Cb 0.61 -3.74 0.05 0.00 -0.02 0.00 0.00 41.12 38.02 1ad1 n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ad1 n ALA 123 N -4.38 0.82 -2.77 2.24 0.00 -0.65 -5.03 120.51 110.74 1ad1 n ALA 123 Ca 0.03 -1.52 -0.24 0.00 0.00 0.00 0.00 53.44 51.71 1ad1 n ALA 123 Cb 0.53 0.40 -0.05 0.00 0.00 0.00 0.00 19.45 20.32 1ad1 n ALA 123 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ad1 s GLU 124 N -3.96 2.77 0.00 0.00 2.02 -0.88 -4.74 118.70 113.92 1ad1 s GLU 124 Ca 0.45 -1.06 0.02 0.00 0.02 0.00 0.00 54.97 54.40 1ad1 s GLU 124 Cb -0.03 -2.51 -0.01 0.00 0.10 0.00 0.00 34.13 31.68 1ad1 s GLU 124 CO 0.29 0.43 -0.06 -1.50 0.02 0.00 0.00 175.26 174.44 1ad1 s ILE 125 N -2.00 0.43 -0.19 -1.63 2.07 -0.42 -1.59 121.20 117.87 1ad1 s ILE 125 Ca 0.31 -0.36 -0.05 0.00 -1.41 0.00 0.00 60.65 59.14 1ad1 s ILE 125 Cb -0.08 -0.39 -0.03 0.00 0.13 0.00 0.00 42.46 42.09 1ad1 s ILE 125 CO 0.23 0.03 -0.00 -0.69 -1.91 0.00 0.00 174.94 172.60 1ad1 s VAL 126 N -0.33 4.01 -0.34 4.00 1.01 -0.25 -0.61 120.40 127.88 1ad1 s VAL 126 Ca -0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 1ad1 s VAL 126 Cb -0.03 -2.80 0.03 0.00 0.00 0.00 0.00 36.38 33.58 1ad1 s VAL 126 CO -0.00 0.45 0.14 -0.76 0.00 0.00 0.00 175.10 174.93 1ad1 s LEU 127 N 0.79 4.38 -0.09 3.92 1.43 0.54 -1.67 118.68 127.98 1ad1 s LEU 127 Ca 0.00 -0.99 -0.12 0.00 -1.03 0.00 0.00 54.13 52.00 1ad1 s LEU 127 Cb -0.14 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 1ad1 s LEU 127 CO 0.02 -0.32 0.27 -0.32 0.23 0.00 0.00 176.35 176.23 1ad1 s MET 128 N 1.48 3.85 0.02 1.70 1.75 -1.08 -1.35 119.30 125.67 1ad1 s MET 128 Ca 0.01 0.11 -0.30 0.00 -1.25 0.00 0.00 55.69 54.25 1ad1 s MET 128 Cb -0.19 -3.27 -0.05 0.00 2.84 0.00 0.00 34.83 34.16 1ad1 s MET 128 CO 0.04 0.58 1.18 -1.58 -0.65 0.00 0.00 175.02 174.59 1ad1 s HIS 129 N -0.58 3.38 0.28 4.11 2.46 -0.13 -3.79 115.29 121.02 1ad1 s HIS 129 Ca 0.18 1.31 -0.12 0.00 0.47 0.00 0.00 55.06 56.90 1ad1 s HIS 129 Cb -0.14 -3.39 0.00 0.00 -0.13 0.00 0.00 32.58 28.93 1ad1 s HIS 129 CO 0.07 -1.16 0.53 1.21 -2.47 0.00 0.00 174.74 172.92 1ad1 s ASN 130 N 1.20 0.09 0.34 9.88 3.84 -1.26 -4.03 114.94 124.99 1ad1 s ASN 130 Ca 0.57 -1.03 0.00 0.00 0.21 0.00 0.00 52.86 52.61 1ad1 s ASN 130 Cb -0.27 0.64 0.00 0.00 -0.55 0.00 0.00 41.25 41.07 1ad1 s ASN 130 CO 0.27 -1.24 0.00 0.61 -2.79 0.00 0.00 177.10 173.95 1ad1 n GLY 131 N -0.43 -1.90 3.67 1.21 0.00 -1.26 -4.93 105.19 101.55 1ad1 n GLY 131 Ca -0.02 -1.16 -0.24 0.00 0.00 0.00 0.00 46.02 44.60 1ad1 n GLY 131 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ad1 n ASN 132 N -4.21 -4.90 0.30 1.61 4.05 -1.26 -4.89 115.26 105.96 1ad1 n ASN 132 Ca 0.01 -0.64 0.18 0.00 0.45 0.00 0.00 54.58 54.58 1ad1 n ASN 132 Cb 0.65 -4.66 0.95 0.00 1.23 0.00 0.00 39.78 37.95 1ad1 n ASN 132 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 1ad1 h GLY 133 N -2.36 0.00 -3.46 8.20 0.00 -1.92 -1.91 103.07 101.62 1ad1 h GLY 133 Ca -0.58 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.42 1ad1 h GLY 133 CO 0.58 0.00 0.42 -2.01 0.00 0.00 0.00 176.54 175.53 1ad1 n ASN 134 N -3.35 3.80 -4.72 0.19 5.15 -1.26 -4.96 115.26 110.10 1ad1 n ASN 134 Ca -0.02 -3.16 -0.36 0.00 -0.60 0.00 0.00 54.58 50.44 1ad1 n ASN 134 Cb 0.16 -0.74 0.09 0.00 -0.53 0.00 0.00 39.78 38.75 1ad1 n ASN 134 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ad1 s ARG 135 N -2.54 2.26 0.00 1.20 1.70 -0.72 -4.96 118.95 115.89 1ad1 s ARG 135 Ca 0.44 1.94 0.12 0.00 -0.47 0.00 0.00 55.73 57.76 1ad1 s ARG 135 Cb 0.37 -1.83 -0.01 0.00 -0.57 0.00 0.00 34.95 32.91 1ad1 s ARG 135 CO 0.09 -1.79 0.68 -0.40 -1.08 0.00 0.00 175.30 172.81 1ad1 n ASP 136 N -2.37 1.27 -4.91 -2.89 5.75 -1.26 -5.01 116.55 107.12 1ad1 n ASP 136 Ca 0.15 -1.13 -0.20 0.00 -0.01 0.00 0.00 54.79 53.59 1ad1 n ASP 136 Cb 0.49 0.52 -0.02 0.00 -1.03 0.00 0.00 41.12 41.07 1ad1 n ASP 136 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1ad1 s GLU 137 N -1.57 2.88 -0.05 0.11 -1.05 -1.26 -5.05 118.70 112.70 1ad1 s GLU 137 Ca 0.09 -1.19 -0.33 0.00 -0.15 0.00 0.00 54.97 53.39 1ad1 s GLU 137 Cb 0.09 -2.61 -0.11 0.00 -0.44 0.00 0.00 34.13 31.06 1ad1 s GLU 137 CO 0.31 0.08 1.89 -2.30 0.95 0.00 0.00 175.26 176.20 1ad1 n PRO 138 N -1.48 2.34 -0.30 -4.83 -0.02 -1.26 -4.81 135.00 124.63 1ad1 n PRO 138 Ca -0.01 0.86 0.11 0.00 -2.02 0.00 0.00 63.50 62.44 1ad1 n PRO 138 Cb 0.59 -2.73 0.25 0.00 -0.02 0.00 0.00 33.50 31.59 1ad1 n PRO 138 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1ad1 h VAL 139 N 5.44 0.20 -0.03 -1.45 3.04 -1.96 0.18 116.25 121.66 1ad1 h VAL 139 Ca -0.49 -0.03 -0.09 0.00 -1.01 0.00 0.00 66.70 65.08 1ad1 h VAL 139 Cb 1.26 0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.63 1ad1 h VAL 139 CO 0.95 0.02 -0.40 0.58 -1.01 0.00 0.00 177.57 177.70 1ad1 h VAL 140 N 0.09 1.29 -0.10 1.51 2.07 -1.92 0.22 116.25 119.42 1ad1 h VAL 140 Ca 0.52 -1.40 -0.08 0.00 0.82 0.00 0.00 66.70 66.57 1ad1 h VAL 140 Cb 1.03 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 1ad1 h VAL 140 CO -0.77 0.40 -0.24 -0.33 0.02 0.00 0.00 177.57 176.65 1ad1 h GLU 141 N 0.05 0.33 0.01 1.57 5.08 -1.10 -1.05 114.58 119.48 1ad1 h GLU 141 Ca 0.00 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1ad1 h GLU 141 Cb 0.73 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1ad1 h GLU 141 CO 0.05 0.84 -0.07 1.49 -1.00 0.00 0.00 179.01 180.33 1ad1 h GLU 142 N -0.12 -0.12 -0.52 2.33 4.22 -0.94 0.10 114.58 119.53 1ad1 h GLU 142 Ca -0.00 0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.50 1ad1 h GLU 142 Cb 0.85 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.08 1ad1 h GLU 142 CO 0.05 -0.08 0.25 1.98 -2.18 0.00 0.00 179.01 179.03 1ad1 h MET 143 N -0.12 0.46 -0.38 1.92 4.05 -0.58 0.34 114.93 120.61 1ad1 h MET 143 Ca 0.02 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.35 1ad1 h MET 143 Cb 0.15 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.83 1ad1 h MET 143 CO -0.06 0.31 -0.01 -0.07 0.23 0.00 0.00 176.91 177.31 1ad1 h LEU 144 N 0.48 0.67 -0.04 3.39 3.38 -0.89 0.01 115.31 122.32 1ad1 h LEU 144 Ca 0.24 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1ad1 h LEU 144 Cb 0.18 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1ad1 h LEU 144 CO -0.18 0.82 -0.03 0.74 0.09 0.00 0.00 178.44 179.87 1ad1 h THR 145 N 0.51 0.90 0.58 0.22 2.02 -0.32 -0.24 112.91 116.58 1ad1 h THR 145 Ca 0.11 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.26 1ad1 h THR 145 Cb 0.48 0.90 0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1ad1 h THR 145 CO 0.02 0.00 -0.28 -1.28 0.37 0.00 0.00 175.52 174.35 1ad1 h SER 146 N -0.04 -0.66 -0.68 4.18 0.87 -0.91 -2.09 113.55 114.21 1ad1 h SER 146 Ca 0.03 -0.04 0.06 0.00 -1.23 0.00 0.00 61.79 60.61 1ad1 h SER 146 Cb 0.08 0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.17 1ad1 h SER 146 CO -0.06 -0.34 0.45 -0.07 -0.53 0.00 0.00 176.83 176.28 1ad1 h LEU 147 N -1.00 0.62 -0.56 2.23 3.38 -0.99 -0.03 115.31 118.96 1ad1 h LEU 147 Ca -0.08 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.73 1ad1 h LEU 147 Cb 0.66 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1ad1 h LEU 147 CO 0.13 0.41 -0.62 -0.07 0.09 0.00 0.00 178.44 178.38 1ad1 h LEU 148 N 0.71 0.41 -0.36 1.67 3.38 -1.04 0.12 115.31 120.20 1ad1 h LEU 148 Ca 0.29 -0.24 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 1ad1 h LEU 148 Cb 0.24 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1ad1 h LEU 148 CO -0.09 0.93 -0.31 0.00 0.09 0.00 0.00 178.44 179.06 1ad1 h ALA 149 N 1.08 0.52 -0.40 1.53 0.00 -0.56 -1.26 119.26 120.17 1ad1 h ALA 149 Ca -0.01 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 1ad1 h ALA 149 Cb 1.15 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1ad1 h ALA 149 CO 0.10 0.56 -0.20 1.96 0.00 0.00 0.00 179.25 181.67 1ad1 h GLN 150 N 0.64 0.84 -0.71 0.00 1.08 -0.93 -1.87 115.11 114.15 1ad1 h GLN 150 Ca 0.06 -0.37 -0.02 0.00 -1.45 0.00 0.00 58.65 56.88 1ad1 h GLN 150 Cb 0.89 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.26 1ad1 h GLN 150 CO 0.08 1.01 0.37 0.00 -0.95 0.00 0.00 178.83 179.34 1ad1 h ALA 151 N 0.81 1.32 -0.66 3.87 0.00 -0.72 -0.17 119.26 123.71 1ad1 h ALA 151 Ca 0.09 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1ad1 h ALA 151 Cb 0.76 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1ad1 h ALA 151 CO 0.06 0.55 0.20 1.25 0.00 0.00 0.00 179.25 181.31 1ad1 h HIS 152 N 1.00 1.05 -0.65 0.00 -0.00 -0.95 0.20 115.15 115.80 1ad1 h HIS 152 Ca 0.25 -0.10 -0.06 0.00 -0.00 0.00 0.00 60.37 60.47 1ad1 h HIS 152 Cb 0.05 -0.31 -0.03 0.00 -0.00 0.00 0.00 27.41 27.13 1ad1 h HIS 152 CO 0.01 0.84 0.18 1.96 -0.00 0.00 0.00 177.93 180.91 1ad1 h GLN 153 N 0.98 1.01 -0.65 5.26 1.08 -0.51 -0.83 115.11 121.45 1ad1 h GLN 153 Ca 0.22 -0.21 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 1ad1 h GLN 153 Cb 0.28 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.54 1ad1 h GLN 153 CO -0.01 0.88 0.14 0.00 -0.95 0.00 0.00 178.83 178.89 1ad1 h ALA 154 N 1.23 0.87 -0.31 3.87 0.00 0.05 -2.31 119.26 122.65 1ad1 h ALA 154 Ca 0.21 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1ad1 h ALA 154 Cb 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1ad1 h ALA 154 CO -0.00 0.60 -0.32 0.87 0.00 0.00 0.00 179.25 180.40 1ad1 h LYS 155 N 0.98 0.67 -0.95 0.00 1.57 -0.67 -1.37 116.57 116.80 1ad1 h LYS 155 Ca 0.20 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1ad1 h LYS 155 Cb 0.39 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.65 1ad1 h LYS 155 CO 0.01 0.90 0.60 0.82 -0.57 0.00 0.00 179.45 181.21 1ad1 h ILE 156 N 0.57 1.25 0.00 1.86 2.04 -0.84 0.63 117.51 123.01 1ad1 h ILE 156 Ca 0.06 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1ad1 h ILE 156 Cb 0.83 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1ad1 h ILE 156 CO 0.07 0.25 0.00 0.00 0.00 0.00 0.00 178.15 178.47 1ad1 n ALA 157 N -2.39 1.74 0.00 1.87 0.00 -0.90 -4.85 120.51 115.98 1ad1 n ALA 157 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1ad1 n ALA 157 Cb 0.03 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1ad1 n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ad1 n GLY 158 N 0.01 1.03 3.66 0.00 0.00 0.21 -4.79 105.19 105.32 1ad1 n GLY 158 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1ad1 n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ad1 s ILE 159 N -2.00 4.95 0.48 -0.61 1.01 -0.54 -4.95 121.20 119.54 1ad1 s ILE 159 Ca 0.00 1.39 -0.24 0.00 0.00 0.00 0.00 60.65 61.80 1ad1 s ILE 159 Cb 0.00 -4.04 -0.07 0.00 0.01 0.00 0.00 42.46 38.36 1ad1 s ILE 159 CO 0.00 0.06 1.41 -2.65 0.00 0.00 0.00 174.94 173.76 1ad1 n PRO 160 N 5.23 2.09 -0.35 2.79 -0.02 -1.26 -4.05 135.00 139.43 1ad1 n PRO 160 Ca 0.02 0.75 0.11 0.00 -2.02 0.00 0.00 63.50 62.35 1ad1 n PRO 160 Cb 0.49 -2.61 0.29 0.00 -0.02 0.00 0.00 33.50 31.65 1ad1 n PRO 160 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1ad1 h SER 161 N 2.05 0.84 0.00 2.55 0.02 -1.95 0.14 113.55 117.20 1ad1 h SER 161 Ca -0.51 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1ad1 h SER 161 Cb 1.28 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1ad1 h SER 161 CO 0.60 0.37 0.00 -0.46 -1.14 0.00 0.00 176.83 176.20 1ad1 n ASN 162 N -4.69 0.00 -0.01 3.07 0.23 -1.26 -2.33 115.26 110.26 1ad1 n ASN 162 Ca 0.21 -1.26 0.01 0.00 -0.53 0.00 0.00 54.58 53.02 1ad1 n ASN 162 Cb 0.48 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.20 1ad1 n ASN 162 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1ad1 n LYS 163 N -0.74 2.68 -3.87 -3.83 5.02 0.46 -4.85 118.16 113.02 1ad1 n LYS 163 Ca 0.10 -1.61 -0.35 0.00 -2.02 0.00 0.00 58.31 54.43 1ad1 n LYS 163 Cb 0.04 -1.05 -0.13 0.00 -0.02 0.00 0.00 35.03 33.88 1ad1 n LYS 163 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ad1 s ILE 164 N -1.21 3.09 0.16 -0.18 1.01 -0.99 -1.30 121.20 121.79 1ad1 s ILE 164 Ca 0.04 -1.55 -0.05 0.00 0.00 0.00 0.00 60.65 59.10 1ad1 s ILE 164 Cb 0.04 -2.87 -0.06 0.00 0.01 0.00 0.00 42.46 39.58 1ad1 s ILE 164 CO 0.00 -0.26 0.40 0.26 0.00 0.00 0.00 174.94 175.35 1ad1 s TRP 165 N 1.23 3.47 -0.06 3.97 0.52 0.22 -3.58 118.94 124.72 1ad1 s TRP 165 Ca -0.01 0.57 0.05 0.00 0.02 0.00 0.00 56.10 56.72 1ad1 s TRP 165 Cb -0.20 -2.02 -0.02 0.00 -1.15 0.00 0.00 33.47 30.08 1ad1 s TRP 165 CO -0.02 0.40 -0.21 -0.51 0.02 0.00 0.00 176.95 176.64 1ad1 s LEU 166 N -2.77 2.35 -0.11 2.99 1.43 -0.23 -0.34 118.68 121.99 1ad1 s LEU 166 Ca 0.42 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1ad1 s LEU 166 Cb -0.12 -1.45 0.02 0.00 0.03 0.00 0.00 46.19 44.67 1ad1 s LEU 166 CO 0.25 0.28 -0.09 -0.62 0.23 0.00 0.00 176.35 176.40 1ad1 s ASP 167 N -0.37 2.17 0.36 2.29 -1.08 -0.46 -0.29 116.67 119.30 1ad1 s ASP 167 Ca 0.03 -0.32 0.20 0.00 -0.52 0.00 0.00 52.55 51.93 1ad1 s ASP 167 Cb -0.12 -0.88 1.07 0.00 -1.46 0.00 0.00 42.92 41.52 1ad1 s ASP 167 CO 0.02 -0.08 1.56 1.55 0.52 0.00 0.00 175.17 178.73 1ad1 h PRO 168 N 7.95 0.00 -3.40 4.34 0.13 -1.87 -0.32 132.00 138.83 1ad1 h PRO 168 Ca -0.31 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.63 1ad1 h PRO 168 Cb 1.14 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.34 1ad1 h PRO 168 CO 0.43 0.00 -0.34 0.41 -0.23 0.00 0.00 178.00 178.28 1ad1 n GLY 169 N -1.27 0.21 3.73 1.56 0.00 -1.26 -4.36 105.19 103.80 1ad1 n GLY 169 Ca -0.01 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1ad1 n GLY 169 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ad1 s ILE 170 N -3.16 2.62 0.00 -0.61 -1.09 -1.26 -1.70 121.20 116.00 1ad1 s ILE 170 Ca 0.26 0.48 0.00 0.00 -2.23 0.00 0.00 60.65 59.16 1ad1 s ILE 170 Cb -0.12 -3.31 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 1ad1 s ILE 170 CO 0.36 0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.73 1ad1 n GLY 171 N 2.98 0.33 3.01 6.18 0.00 -1.26 -4.85 105.19 111.56 1ad1 n GLY 171 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1ad1 n GLY 171 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ad1 s PHE 172 N -2.03 1.80 -1.17 1.61 0.40 -0.69 -4.85 117.98 113.06 1ad1 s PHE 172 Ca 0.00 -0.86 -0.04 0.00 -0.60 0.00 0.00 56.93 55.42 1ad1 s PHE 172 Cb 0.00 -1.34 0.03 0.00 0.51 0.00 0.00 43.02 42.22 1ad1 s PHE 172 CO 0.00 -0.48 0.25 0.00 0.70 0.00 0.00 175.22 175.69 1ad1 n ALA 173 N 4.42 -0.92 -3.20 5.36 0.00 -1.26 -4.69 120.51 120.21 1ad1 n ALA 173 Ca -0.18 0.11 -0.18 0.00 0.00 0.00 0.00 53.44 53.19 1ad1 n ALA 173 Cb 0.51 -2.21 -0.15 0.00 0.00 0.00 0.00 19.45 17.60 1ad1 n ALA 173 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ad1 s LYS 174 N -5.49 0.58 0.84 0.00 1.02 -1.26 -4.30 119.74 111.12 1ad1 s LYS 174 Ca 0.19 -0.13 -0.12 0.00 0.02 0.00 0.00 55.97 55.93 1ad1 s LYS 174 Cb -0.10 -0.59 0.09 0.00 -0.52 0.00 0.00 37.83 36.71 1ad1 s LYS 174 CO 0.24 0.02 1.11 0.95 -0.92 0.00 0.00 175.35 176.74 1ad1 s THR 175 N 0.40 2.72 0.43 2.17 -4.23 -1.26 -4.78 115.64 111.08 1ad1 s THR 175 Ca -0.05 0.23 0.10 0.00 -1.18 0.00 0.00 61.69 60.80 1ad1 s THR 175 Cb -0.08 -2.97 0.29 0.00 1.34 0.00 0.00 72.50 71.08 1ad1 s THR 175 CO -0.00 -0.31 2.03 0.03 -0.54 0.00 0.00 174.62 175.83 1ad1 h ARG 176 N -1.23 0.45 0.07 3.99 3.08 -2.01 0.36 114.38 119.10 1ad1 h ARG 176 Ca -0.48 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.54 1ad1 h ARG 176 Cb 1.29 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1ad1 h ARG 176 CO 0.60 0.30 -0.04 -0.97 -1.07 0.00 0.00 179.97 178.79 1ad1 h ASN 177 N 0.47 -0.08 -0.45 7.04 -0.00 -1.99 -1.97 115.58 118.59 1ad1 h ASN 177 Ca 0.20 -0.29 -0.01 0.00 -0.00 0.00 0.00 56.30 56.20 1ad1 h ASN 177 Cb 0.21 0.02 -0.02 0.00 -0.00 0.00 0.00 38.32 38.52 1ad1 h ASN 177 CO -0.05 0.25 0.25 -0.33 -0.00 0.00 0.00 177.43 177.55 1ad1 h GLU 178 N -0.43 0.65 -0.04 6.67 5.08 -1.58 -1.77 114.58 123.16 1ad1 h GLU 178 Ca -0.01 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.12 1ad1 h GLU 178 Cb 0.37 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1ad1 h GLU 178 CO 0.02 0.49 -0.71 0.93 -1.00 0.00 0.00 179.01 178.74 1ad1 h GLU 179 N 0.66 0.21 -0.58 2.33 5.08 -0.94 -1.76 114.58 119.59 1ad1 h GLU 179 Ca 0.17 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1ad1 h GLU 179 Cb 0.04 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1ad1 h GLU 179 CO -0.03 0.83 0.15 0.00 -1.00 0.00 0.00 179.01 178.96 1ad1 h ALA 180 N 1.12 0.76 -0.11 3.43 0.00 -0.77 -0.84 119.26 122.85 1ad1 h ALA 180 Ca -0.02 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ad1 h ALA 180 Cb 1.26 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1ad1 h ALA 180 CO 0.11 0.46 0.05 1.49 0.00 0.00 0.00 179.25 181.36 1ad1 h GLU 181 N 0.82 0.16 -0.58 0.00 4.57 -1.27 -2.34 114.58 115.94 1ad1 h GLU 181 Ca 0.18 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 1ad1 h GLU 181 Cb 0.34 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.87 1ad1 h GLU 181 CO 0.00 0.22 0.34 0.28 -1.18 0.00 0.00 179.01 178.67 1ad1 h VAL 182 N 0.05 1.18 0.00 0.32 2.07 -1.12 -2.30 116.25 116.45 1ad1 h VAL 182 Ca 0.04 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1ad1 h VAL 182 Cb 0.12 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1ad1 h VAL 182 CO -0.00 0.18 -0.02 0.24 0.02 0.00 0.00 177.57 177.99 1ad1 h MET 183 N 0.78 0.00 0.00 1.57 2.86 -1.07 -2.09 114.93 116.98 1ad1 h MET 183 Ca 0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1ad1 h MET 183 Cb -0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1ad1 h MET 183 CO -0.04 0.02 -0.53 0.00 1.06 0.00 0.00 176.91 177.43 1ad1 n ALA 184 N -2.11 2.88 -1.89 6.32 0.00 -0.89 -4.26 120.51 120.56 1ad1 n ALA 184 Ca -0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 53.44 53.19 1ad1 n ALA 184 Cb 0.26 -1.21 0.13 0.00 0.00 0.00 0.00 19.45 18.63 1ad1 n ALA 184 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ad1 n ARG 185 N -2.06 1.90 0.26 0.00 1.74 -0.80 -4.78 116.66 112.93 1ad1 n ARG 185 Ca 0.04 -3.37 0.10 0.00 -0.77 0.00 0.00 57.85 53.85 1ad1 n ARG 185 Cb 0.43 -1.58 0.70 0.00 -1.02 0.00 0.00 32.46 30.99 1ad1 n ARG 185 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1ad1 h LEU 186 N 1.39 0.00 -1.20 0.55 3.38 -1.71 -1.66 115.31 116.05 1ad1 h LEU 186 Ca 0.06 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1ad1 h LEU 186 Cb 1.27 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.97 1ad1 h LEU 186 CO 0.21 0.05 0.55 -2.24 0.09 0.00 0.00 178.44 177.10 1ad1 h ASP 187 N 0.00 0.89 -0.20 -0.43 2.03 -1.86 -0.04 116.42 116.80 1ad1 h ASP 187 Ca -0.00 -0.01 -0.10 0.00 -0.73 0.00 0.00 57.03 56.19 1ad1 h ASP 187 Cb 0.09 -0.20 -0.02 0.00 -0.83 0.00 0.00 39.33 38.37 1ad1 h ASP 187 CO 0.01 0.61 -0.19 -0.33 -1.03 0.00 0.00 179.24 178.30 1ad1 h GLU 188 N 1.03 0.64 -0.25 4.15 5.08 -1.69 0.59 114.58 124.14 1ad1 h GLU 188 Ca 0.34 -0.23 -0.17 0.00 -1.00 0.00 0.00 59.36 58.30 1ad1 h GLU 188 Cb 0.05 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1ad1 h GLU 188 CO -0.10 0.79 -0.50 1.25 -1.00 0.00 0.00 179.01 179.45 1ad1 h LEU 189 N 0.57 0.87 -1.44 1.33 5.85 -1.39 -2.94 115.31 118.15 1ad1 h LEU 189 Ca 0.09 -0.54 -0.05 0.00 0.84 0.00 0.00 57.88 58.21 1ad1 h LEU 189 Cb 0.64 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1ad1 h LEU 189 CO 0.05 1.25 -0.21 0.58 -0.34 0.00 0.00 178.44 179.76 1ad1 h VAL 190 N 0.52 1.19 0.00 1.05 2.07 -0.76 -2.72 116.25 117.59 1ad1 h VAL 190 Ca 0.01 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1ad1 h VAL 190 Cb 1.11 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1ad1 h VAL 190 CO 0.11 0.25 0.00 0.00 0.02 0.00 0.00 177.57 177.96 1ad1 h ALA 191 N 1.70 1.00 0.00 1.67 0.00 -0.69 -2.27 119.26 120.66 1ad1 h ALA 191 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ad1 h ALA 191 Cb 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ad1 h ALA 191 CO 0.03 0.00 -0.05 1.79 0.00 0.00 0.00 179.25 181.02 1ad1 h THR 192 N 0.00 0.17 -0.01 0.00 1.35 -1.51 -3.46 112.91 109.44 1ad1 h THR 192 Ca 0.00 -0.47 -0.01 0.00 -0.55 0.00 0.00 66.41 65.39 1ad1 h THR 192 Cb 0.24 1.39 -0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1ad1 h THR 192 CO 0.00 0.05 -0.01 -0.62 -0.25 0.00 0.00 175.52 174.69 1ad1 n GLU 193 N -3.23 -0.08 -3.71 4.72 1.02 -0.86 -5.04 120.64 113.46 1ad1 n GLU 193 Ca -0.01 0.18 -0.36 0.00 -0.02 0.00 0.00 57.16 56.95 1ad1 n GLU 193 Cb 0.25 -3.39 -0.06 0.00 -0.02 0.00 0.00 31.44 28.23 1ad1 n GLU 193 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1ad1 s TYR 194 N -1.98 3.63 0.34 -0.32 2.02 -1.26 -4.87 117.35 114.92 1ad1 s TYR 194 Ca 0.00 0.70 -0.29 0.00 -0.37 0.00 0.00 57.07 57.12 1ad1 s TYR 194 Cb 0.00 -2.08 -0.11 0.00 -0.40 0.00 0.00 41.96 39.38 1ad1 s TYR 194 CO 0.00 0.66 1.45 -1.25 -1.57 0.00 0.00 175.55 174.84 1ad1 s PRO 195 N -1.33 4.19 -0.15 -1.71 0.04 -1.23 -4.74 135.00 130.07 1ad1 s PRO 195 Ca 0.23 2.46 -0.06 0.00 0.04 0.00 0.00 61.00 63.67 1ad1 s PRO 195 Cb -0.14 -3.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 1ad1 s PRO 195 CO 0.11 -0.45 0.04 0.08 0.04 0.00 0.00 177.00 176.83 1ad1 s VAL 196 N -0.90 4.62 -0.22 -0.36 1.01 -1.26 -1.07 120.40 122.22 1ad1 s VAL 196 Ca 0.54 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 62.35 1ad1 s VAL 196 Cb -0.45 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 1ad1 s VAL 196 CO 0.57 0.51 0.04 -0.22 0.00 0.00 0.00 175.10 176.00 1ad1 s LEU 197 N -0.03 3.40 -0.19 3.92 2.96 0.61 -0.42 118.68 128.93 1ad1 s LEU 197 Ca 0.05 -0.18 -0.08 0.00 -0.22 0.00 0.00 54.13 53.70 1ad1 s LEU 197 Cb -0.12 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 1ad1 s LEU 197 CO 0.01 0.02 0.08 -0.22 -1.32 0.00 0.00 176.35 174.92 1ad1 s LEU 198 N 1.28 3.92 -0.38 -0.68 2.96 -0.41 -4.18 118.68 121.18 1ad1 s LEU 198 Ca 0.04 0.12 0.01 0.00 -0.22 0.00 0.00 54.13 54.08 1ad1 s LEU 198 Cb -0.15 -2.00 0.13 0.00 0.50 0.00 0.00 46.19 44.68 1ad1 s LEU 198 CO 0.02 0.18 0.21 0.00 -1.32 0.00 0.00 176.35 175.44 1ad1 s ALA 199 N 0.36 1.44 -0.05 5.97 0.00 -1.26 -1.32 121.76 126.89 1ad1 s ALA 199 Ca 0.04 -2.09 0.02 0.00 0.00 0.00 0.00 51.96 49.94 1ad1 s ALA 199 Cb -0.12 -1.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 1ad1 s ALA 199 CO -0.00 -2.03 0.07 0.25 0.00 0.00 0.00 175.76 174.05 1ad1 n THR 200 N 3.99 0.00 -1.09 0.00 -2.24 -1.26 -4.38 114.28 109.30 1ad1 n THR 200 Ca 0.08 -0.27 -0.49 0.00 -2.27 0.00 0.00 64.05 61.11 1ad1 n THR 200 Cb 0.37 0.75 -0.09 0.00 -2.10 0.00 0.00 70.33 69.25 1ad1 n THR 200 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1ad1 n SER 201 N -1.29 0.68 0.00 3.42 2.88 -1.26 -1.40 113.62 116.65 1ad1 n SER 201 Ca 0.00 0.63 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 1ad1 n SER 201 Cb 0.04 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 1ad1 n SER 201 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ad1 n ARG 202 N 5.32 -1.24 -1.53 -1.46 1.74 -1.26 -4.90 116.66 113.33 1ad1 n ARG 202 Ca 0.39 0.31 -0.29 0.00 -0.77 0.00 0.00 57.85 57.49 1ad1 n ARG 202 Cb -0.04 -4.70 0.17 0.00 -1.02 0.00 0.00 32.46 26.88 1ad1 n ARG 202 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1ad1 s LYS 203 N -1.55 0.47 0.31 5.56 1.02 -0.49 -4.68 119.74 120.37 1ad1 s LYS 203 Ca 0.00 0.03 0.07 0.00 0.02 0.00 0.00 55.97 56.09 1ad1 s LYS 203 Cb 0.00 -1.78 0.77 0.00 -0.52 0.00 0.00 37.83 36.30 1ad1 s LYS 203 CO 0.00 -2.60 1.78 -0.09 -0.92 0.00 0.00 175.35 173.51 1ad1 h ARG 204 N -1.79 0.71 -0.64 1.68 2.43 -1.94 0.30 114.38 115.14 1ad1 h ARG 204 Ca -0.48 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 58.70 1ad1 h ARG 204 Cb 1.30 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.64 1ad1 h ARG 204 CO 0.49 0.47 0.37 0.35 -1.51 0.00 0.00 179.97 180.15 1ad1 h PHE 205 N 0.73 0.69 -0.01 2.20 3.57 -1.92 0.25 116.94 122.45 1ad1 h PHE 205 Ca 0.58 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.93 1ad1 h PHE 205 Cb 0.95 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1ad1 h PHE 205 CO -0.00 0.36 -0.79 1.79 -2.23 0.00 0.00 178.31 177.43 1ad1 h THR 206 N 0.71 1.49 -0.83 4.41 1.35 -1.45 -2.94 112.91 115.64 1ad1 h THR 206 Ca 0.28 -2.49 -0.01 0.00 -0.55 0.00 0.00 66.41 63.64 1ad1 h THR 206 Cb 0.11 2.36 -0.04 0.00 -1.73 0.00 0.00 68.15 68.85 1ad1 h THR 206 CO -0.15 0.72 0.49 0.50 -0.25 0.00 0.00 175.52 176.84 1ad1 h LYS 207 N 0.09 1.14 -0.11 4.72 3.64 -0.02 -2.24 116.57 123.78 1ad1 h LYS 207 Ca -0.03 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1ad1 h LYS 207 Cb 1.38 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1ad1 h LYS 207 CO 0.11 0.81 0.00 0.39 -2.27 0.00 0.00 179.45 178.49 1ad1 n GLU 208 N -4.43 1.35 0.00 1.90 1.02 0.77 -2.73 120.64 118.51 1ad1 n GLU 208 Ca 0.08 -0.53 0.12 0.00 -0.02 0.00 0.00 57.16 56.81 1ad1 n GLU 208 Cb 0.06 -1.24 0.18 0.00 -0.02 0.00 0.00 31.44 30.43 1ad1 n GLU 208 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1ad1 n MET 209 N -0.17 0.40 -3.64 3.49 2.81 -0.84 -4.89 117.12 114.28 1ad1 n MET 209 Ca 0.10 -0.27 -0.27 0.00 -1.81 0.00 0.00 57.70 55.45 1ad1 n MET 209 Cb 0.16 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.15 1ad1 n MET 209 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1ad1 s MET 210 N -2.79 3.52 0.00 0.03 -1.94 -1.11 -5.02 119.30 112.00 1ad1 s MET 210 Ca 0.15 -0.33 0.18 0.00 -1.71 0.00 0.00 55.69 53.98 1ad1 s MET 210 Cb 0.18 -2.80 0.54 0.00 2.01 0.00 0.00 34.83 34.75 1ad1 s MET 210 CO 0.66 0.36 1.42 0.41 -0.01 0.00 0.00 175.02 177.87 1ad1 n GLY 211 N -0.86 0.83 3.42 -0.03 0.00 -1.26 -4.92 105.19 102.37 1ad1 n GLY 211 Ca -0.05 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.38 1ad1 n GLY 211 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ad1 s TYR 212 N -1.58 -0.34 0.20 1.61 1.13 -1.26 -5.13 117.35 111.98 1ad1 s TYR 212 Ca 0.32 0.07 -0.31 0.00 -1.41 0.00 0.00 57.07 55.73 1ad1 s TYR 212 Cb 0.17 0.44 -0.10 0.00 -1.10 0.00 0.00 41.96 41.37 1ad1 s TYR 212 CO 0.24 -0.83 1.53 0.34 -2.51 0.00 0.00 175.55 174.32 1ad1 s ASP 213 N -2.80 6.59 0.26 -0.18 -1.08 -1.26 -4.99 116.67 113.22 1ad1 s ASP 213 Ca 0.03 2.65 0.07 0.00 -0.52 0.00 0.00 52.55 54.78 1ad1 s ASP 213 Cb -0.00 -2.61 -0.06 0.00 -1.46 0.00 0.00 42.92 38.80 1ad1 s ASP 213 CO -0.10 -0.79 -0.07 0.42 0.52 0.00 0.00 175.17 175.15 1ad1 s THR 214 N 0.71 1.63 0.48 1.71 -4.23 -1.26 -5.14 115.64 109.54 1ad1 s THR 214 Ca 0.66 -2.14 -0.05 0.00 -1.18 0.00 0.00 61.69 58.98 1ad1 s THR 214 Cb -0.43 -2.38 -0.03 0.00 1.34 0.00 0.00 72.50 70.99 1ad1 s THR 214 CO 0.36 -0.35 0.79 0.42 -0.54 0.00 0.00 174.62 175.30 1ad1 s THR 215 N -3.03 4.86 0.26 3.99 -4.23 -1.26 -4.97 115.64 111.26 1ad1 s THR 215 Ca 0.28 0.18 -0.02 0.00 -1.18 0.00 0.00 61.69 60.96 1ad1 s THR 215 Cb 0.03 -3.85 0.25 0.00 1.34 0.00 0.00 72.50 70.27 1ad1 s THR 215 CO 0.11 -0.83 1.70 -0.65 -0.54 0.00 0.00 174.62 174.41 1ad1 h PRO 216 N 0.21 0.36 -0.33 3.99 0.11 -2.01 -1.96 132.00 132.38 1ad1 h PRO 216 Ca -0.47 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.64 1ad1 h PRO 216 Cb 1.21 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1ad1 h PRO 216 CO 0.62 0.24 0.22 -0.24 -0.21 0.00 0.00 178.00 178.62 1ad1 h VAL 217 N 0.37 1.03 0.00 3.15 3.04 -1.97 -1.65 116.25 120.22 1ad1 h VAL 217 Ca 0.47 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 66.04 1ad1 h VAL 217 Cb 0.81 0.65 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 1ad1 h VAL 217 CO -0.49 0.06 0.00 -0.62 -1.01 0.00 0.00 177.57 175.51 1ad1 n GLU 218 N -4.49 0.51 -0.24 4.17 1.02 -0.74 -2.20 120.64 118.68 1ad1 n GLU 218 Ca 0.03 0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.31 1ad1 n GLU 218 Cb 0.13 -1.50 0.25 0.00 -0.02 0.00 0.00 31.44 30.30 1ad1 n GLU 218 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ad1 n ARG 219 N -1.07 2.55 -0.26 3.49 1.74 -0.62 -4.53 116.66 117.95 1ad1 n ARG 219 Ca 0.13 -2.36 -0.05 0.00 -0.77 0.00 0.00 57.85 54.80 1ad1 n ARG 219 Cb 0.08 -1.53 0.10 0.00 -1.02 0.00 0.00 32.46 30.09 1ad1 n ARG 219 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1ad1 h ASP 220 N 4.40 1.04 -0.29 0.55 3.32 -1.60 -1.87 116.42 121.97 1ad1 h ASP 220 Ca 0.00 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 56.78 1ad1 h ASP 220 Cb 0.98 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 1ad1 h ASP 220 CO 0.00 0.92 -0.26 -0.33 -1.72 0.00 0.00 179.24 177.85 1ad1 h GLU 221 N 1.11 0.68 0.00 3.56 3.07 -1.85 -0.71 114.58 120.44 1ad1 h GLU 221 Ca 0.26 -0.35 -0.06 0.00 -0.50 0.00 0.00 59.36 58.70 1ad1 h GLU 221 Cb 0.20 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 1ad1 h GLU 221 CO -0.02 0.96 -0.30 -0.39 -1.40 0.00 0.00 179.01 177.86 1ad1 h VAL 222 N 0.42 0.83 -0.27 3.13 -1.51 -1.86 -1.09 116.25 115.89 1ad1 h VAL 222 Ca 0.05 -1.22 -0.06 0.00 -1.23 0.00 0.00 66.70 64.24 1ad1 h VAL 222 Cb 0.82 1.75 -0.01 0.00 -2.13 0.00 0.00 31.29 31.72 1ad1 h VAL 222 CO 0.07 0.30 -0.07 0.74 -1.23 0.00 0.00 177.57 177.37 1ad1 h THR 223 N 0.00 1.28 -0.63 7.19 2.02 -1.09 -2.05 112.91 119.64 1ad1 h THR 223 Ca -0.00 -1.09 0.01 0.00 0.77 0.00 0.00 66.41 66.10 1ad1 h THR 223 Cb 0.72 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 1ad1 h THR 223 CO 0.04 0.35 0.41 0.00 0.37 0.00 0.00 175.52 176.69 1ad1 h ALA 224 N 0.77 1.58 -0.31 6.16 0.00 -0.69 -0.19 119.26 126.58 1ad1 h ALA 224 Ca 0.07 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1ad1 h ALA 224 Cb 0.55 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1ad1 h ALA 224 CO 0.03 0.39 0.20 0.00 0.00 0.00 0.00 179.25 179.86 1ad1 h ALA 225 N 1.62 0.39 -0.08 0.00 0.00 -0.89 0.14 119.26 120.43 1ad1 h ALA 225 Ca 0.23 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1ad1 h ALA 225 Cb -0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1ad1 h ALA 225 CO -0.05 -0.15 -0.14 1.79 0.00 0.00 0.00 179.25 180.69 1ad1 h THR 226 N 0.41 1.15 0.22 0.00 1.35 -0.54 -0.42 112.91 115.07 1ad1 h THR 226 Ca 0.11 -0.66 -0.01 0.00 -0.55 0.00 0.00 66.41 65.30 1ad1 h THR 226 Cb -0.04 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1ad1 h THR 226 CO -0.03 0.20 -0.11 0.74 -0.25 0.00 0.00 175.52 176.07 1ad1 h THR 227 N 0.12 0.85 -0.18 6.82 2.02 -0.02 0.85 112.91 123.36 1ad1 h THR 227 Ca 0.02 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 1ad1 h THR 227 Cb 0.32 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1ad1 h THR 227 CO 0.02 0.09 0.11 0.00 0.37 0.00 0.00 175.52 176.11 1ad1 h ALA 228 N 0.22 0.23 -0.26 6.16 0.00 -0.72 -0.18 119.26 124.72 1ad1 h ALA 228 Ca -0.03 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1ad1 h ALA 228 Cb 0.38 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1ad1 h ALA 228 CO 0.05 -0.26 0.05 -0.92 0.00 0.00 0.00 179.25 178.17 1ad1 h TYR 229 N 0.22 0.09 -0.71 0.00 3.20 -1.09 -0.62 116.97 118.06 1ad1 h TYR 229 Ca 0.07 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 1ad1 h TYR 229 Cb 0.02 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 1ad1 h TYR 229 CO -0.05 0.02 0.44 0.78 -1.64 0.00 0.00 178.16 177.71 1ad1 h GLY 230 N 0.15 1.02 1.00 1.82 0.00 -0.53 -0.86 103.07 105.67 1ad1 h GLY 230 Ca 0.12 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 1ad1 h GLY 230 CO -0.15 0.40 0.21 -2.22 0.00 0.00 0.00 176.54 174.78 1ad1 h ILE 231 N 0.96 1.24 -0.59 2.60 2.04 -0.69 -0.94 117.51 122.12 1ad1 h ILE 231 Ca 0.25 -0.79 0.06 0.00 1.00 0.00 0.00 64.86 65.39 1ad1 h ILE 231 Cb -0.05 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1ad1 h ILE 231 CO -0.05 0.30 0.39 0.24 0.00 0.00 0.00 178.15 179.03 1ad1 h MET 232 N 0.85 0.55 0.00 2.37 2.86 -0.52 0.70 114.93 121.74 1ad1 h MET 232 Ca 0.20 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1ad1 h MET 232 Cb 0.26 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1ad1 h MET 232 CO -0.01 0.36 -0.03 1.63 1.06 0.00 0.00 176.91 179.92 1ad1 n LYS 233 N -4.47 0.07 0.00 1.72 4.76 -0.38 -4.94 118.16 114.92 1ad1 n LYS 233 Ca 0.08 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 1ad1 n LYS 233 Cb 0.24 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 1ad1 n LYS 233 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ad1 n GLY 234 N 1.45 1.13 3.76 0.72 0.00 0.24 -4.61 105.19 107.88 1ad1 n GLY 234 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1ad1 n GLY 234 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ad1 s VAL 235 N -2.00 2.73 -1.29 1.61 -7.23 -0.48 -4.76 120.40 108.98 1ad1 s VAL 235 Ca 0.00 0.53 0.23 0.00 -1.81 0.00 0.00 61.98 60.93 1ad1 s VAL 235 Cb 0.00 -3.26 -0.05 0.00 0.56 0.00 0.00 36.38 33.63 1ad1 s VAL 235 CO 0.00 -0.03 1.17 0.54 -0.31 0.00 0.00 175.10 176.48 1ad1 n ARG 236 N -0.85 0.33 -3.47 4.82 5.12 0.44 -4.58 116.66 118.48 1ad1 n ARG 236 Ca 0.09 -0.25 -0.12 0.00 -1.93 0.00 0.00 57.85 55.65 1ad1 n ARG 236 Cb 0.47 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 30.25 1ad1 n ARG 236 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ad1 s ALA 237 N -2.84 -1.72 -0.01 7.54 0.00 -1.03 -1.33 121.76 122.37 1ad1 s ALA 237 Ca 0.13 0.86 0.02 0.00 0.00 0.00 0.00 51.96 52.97 1ad1 s ALA 237 Cb 0.17 0.48 0.00 0.00 0.00 0.00 0.00 23.12 23.78 1ad1 s ALA 237 CO 0.72 -0.64 -0.05 0.14 0.00 0.00 0.00 175.76 175.93 1ad1 s VAL 238 N -2.93 0.44 -0.35 0.00 -7.23 -0.49 -1.28 120.40 108.55 1ad1 s VAL 238 Ca -0.00 -0.20 -0.12 0.00 -1.81 0.00 0.00 61.98 59.85 1ad1 s VAL 238 Cb -0.01 -0.40 -0.00 0.00 0.56 0.00 0.00 36.38 36.53 1ad1 s VAL 238 CO -0.07 0.14 0.23 -0.60 -0.31 0.00 0.00 175.10 174.50 1ad1 s ARG 239 N 0.13 3.27 0.06 4.82 3.52 -0.43 -0.88 118.95 129.45 1ad1 s ARG 239 Ca -0.01 -0.79 0.01 0.00 -0.13 0.00 0.00 55.73 54.81 1ad1 s ARG 239 Cb -0.05 -3.79 -0.04 0.00 -1.56 0.00 0.00 34.95 29.52 1ad1 s ARG 239 CO -0.00 -0.53 -0.05 0.14 -0.81 0.00 0.00 175.30 174.04 1ad1 s VAL 240 N 1.67 0.44 -0.10 7.11 -7.23 -0.52 -4.14 120.40 117.62 1ad1 s VAL 240 Ca 0.05 -1.64 -0.20 0.00 -1.81 0.00 0.00 61.98 58.39 1ad1 s VAL 240 Cb -0.18 -1.29 -0.27 0.00 0.56 0.00 0.00 36.38 35.20 1ad1 s VAL 240 CO 0.09 -0.79 0.64 0.45 -0.31 0.00 0.00 175.10 175.18 1ad1 h HIS 241 N 3.47 0.38 -2.16 2.82 3.86 -1.90 -3.10 115.15 118.52 1ad1 h HIS 241 Ca -0.35 -0.28 -0.68 0.00 -1.16 0.00 0.00 60.37 57.91 1ad1 h HIS 241 Cb 1.17 -0.02 -0.16 0.00 1.06 0.00 0.00 27.41 29.46 1ad1 h HIS 241 CO 0.59 1.41 1.01 1.21 0.86 0.00 0.00 177.93 183.01 1ad1 s ASN 242 N -6.91 6.66 0.08 2.45 3.84 -1.26 -4.81 114.94 114.99 1ad1 s ASN 242 Ca -0.19 -2.06 -0.26 0.00 0.21 0.00 0.00 52.86 50.56 1ad1 s ASN 242 Cb 0.03 -2.43 -0.16 0.00 -0.55 0.00 0.00 41.25 38.14 1ad1 s ASN 242 CO 0.76 -1.10 1.67 0.58 -2.79 0.00 0.00 177.10 176.22 1ad1 h VAL 243 N 5.86 0.81 -0.21 -5.21 2.07 -1.93 -2.99 116.25 114.65 1ad1 h VAL 243 Ca 0.19 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.67 1ad1 h VAL 243 Cb 1.00 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1ad1 h VAL 243 CO 1.17 0.02 0.02 -0.08 0.02 0.00 0.00 177.57 178.72 1ad1 h GLU 244 N -0.31 0.09 -0.06 1.57 4.81 -1.90 0.35 114.58 119.13 1ad1 h GLU 244 Ca -0.03 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1ad1 h GLU 244 Cb 0.24 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1ad1 h GLU 244 CO 0.05 0.06 -0.15 1.25 -0.73 0.00 0.00 179.01 179.48 1ad1 h LEU 245 N 0.09 -0.45 -0.81 1.64 5.85 -1.90 -1.15 115.31 118.58 1ad1 h LEU 245 Ca 0.10 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.79 1ad1 h LEU 245 Cb 0.11 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1ad1 h LEU 245 CO -0.15 -0.20 -0.23 0.78 -0.34 0.00 0.00 178.44 178.30 1ad1 h ASN 246 N -0.22 0.65 -0.04 1.25 2.35 -1.37 -0.41 115.58 117.79 1ad1 h ASN 246 Ca 0.07 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.59 1ad1 h ASN 246 Cb 0.32 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 1ad1 h ASN 246 CO -0.19 0.87 0.02 0.00 -1.65 0.00 0.00 177.43 176.48 1ad1 h ALA 247 N 1.18 0.05 -0.46 -0.83 0.00 0.05 0.12 119.26 119.37 1ad1 h ALA 247 Ca 0.08 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1ad1 h ALA 247 Cb 0.69 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1ad1 h ALA 247 CO 0.05 -0.40 -0.09 0.87 0.00 0.00 0.00 179.25 179.68 1ad1 h LYS 248 N -0.05 0.88 -0.18 0.00 1.57 -1.17 -1.82 116.57 115.81 1ad1 h LYS 248 Ca 0.01 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 1ad1 h LYS 248 Cb 0.11 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1ad1 h LYS 248 CO -0.00 0.97 0.04 1.25 -0.57 0.00 0.00 179.45 181.14 1ad1 h LEU 249 N 0.72 0.28 -1.75 2.94 5.85 -1.00 -2.53 115.31 119.82 1ad1 h LEU 249 Ca 0.12 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1ad1 h LEU 249 Cb 0.63 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1ad1 h LEU 249 CO 0.04 0.45 0.03 0.00 -0.34 0.00 0.00 178.44 178.62 1ad1 h ALA 250 N 0.84 1.80 -0.69 1.25 0.00 -0.71 -0.52 119.26 121.23 1ad1 h ALA 250 Ca 0.06 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1ad1 h ALA 250 Cb 0.28 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1ad1 h ALA 250 CO 0.00 0.16 0.15 -0.22 0.00 0.00 0.00 179.25 179.34 1ad1 h LYS 251 N 0.19 1.12 0.04 0.00 3.64 -1.06 0.71 116.57 121.20 1ad1 h LYS 251 Ca 0.05 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1ad1 h LYS 251 Cb 0.08 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1ad1 h LYS 251 CO -0.00 0.99 -0.02 0.78 -2.27 0.00 0.00 179.45 178.93 1ad1 h GLY 252 N 1.07 -0.06 1.00 5.01 0.00 -0.74 -1.65 103.07 107.71 1ad1 h GLY 252 Ca 0.22 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 1ad1 h GLY 252 CO 0.01 -0.02 0.34 -2.22 0.00 0.00 0.00 176.54 174.65 1ad1 h ILE 253 N -0.40 1.22 -0.62 2.60 1.08 -1.01 -1.20 117.51 119.19 1ad1 h ILE 253 Ca -0.01 -0.60 0.03 0.00 -0.39 0.00 0.00 64.86 63.89 1ad1 h ILE 253 Cb 0.37 0.37 -0.04 0.00 -3.07 0.00 0.00 36.82 34.45 1ad1 h ILE 253 CO 0.01 0.25 0.38 0.44 -0.69 0.00 0.00 178.15 178.54 1ad1 h ASP 254 N 0.94 0.62 0.02 1.72 3.32 -0.86 -0.77 116.42 121.42 1ad1 h ASP 254 Ca 0.24 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 1ad1 h ASP 254 Cb 0.09 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1ad1 h ASP 254 CO -0.03 0.43 -0.01 0.15 -1.72 0.00 0.00 179.24 178.06 1ad1 h PHE 255 N 0.75 -0.03 -0.84 4.55 3.04 -0.88 -1.77 116.94 121.76 1ad1 h PHE 255 Ca 0.25 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.18 1ad1 h PHE 255 Cb 0.02 0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.50 1ad1 h PHE 255 CO -0.05 -0.01 0.45 -0.07 -2.02 0.00 0.00 178.31 176.60 1ad1 h LEU 256 N -0.03 1.05 -0.34 0.59 3.38 -0.80 0.74 115.31 119.90 1ad1 h LEU 256 Ca -0.00 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1ad1 h LEU 256 Cb 0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1ad1 h LEU 256 CO 0.00 0.86 -0.18 0.11 0.09 0.00 0.00 178.44 179.32 1ad1 h LYS 257 N 1.17 0.72 -0.27 1.13 1.57 -1.09 -1.60 116.57 118.19 1ad1 h LYS 257 Ca 0.29 -0.32 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1ad1 h LYS 257 Cb 0.05 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1ad1 h LYS 257 CO -0.04 0.93 -0.03 1.49 -0.57 0.00 0.00 179.45 181.22 1ad1 h GLU 258 N 0.49 0.51 -0.81 3.15 4.57 -1.17 -0.14 114.58 121.18 1ad1 h GLU 258 Ca 0.07 -0.18 0.09 0.00 -1.18 0.00 0.00 59.36 58.16 1ad1 h GLU 258 Cb 0.72 -0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.21 1ad1 h GLU 258 CO 0.05 0.69 0.46 -0.97 -1.18 0.00 0.00 179.01 178.07 1ad1 h ASN 259 N 0.28 0.67 -0.31 1.04 -1.24 -0.83 0.69 115.58 115.87 1ad1 h ASN 259 Ca 0.07 0.04 -0.03 0.00 0.71 0.00 0.00 56.30 57.10 1ad1 h ASN 259 Cb 0.48 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.43 1ad1 h ASN 259 CO 0.02 0.39 0.08 -0.08 -1.29 0.00 0.00 177.43 176.56 1ad1 h GLU 260 N 0.79 0.50 -0.23 6.67 4.81 -0.94 -1.61 114.58 124.58 1ad1 h GLU 260 Ca 0.38 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 1ad1 h GLU 260 Cb 0.32 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1ad1 h GLU 260 CO -0.23 0.56 0.04 -0.97 -0.73 0.00 0.00 179.01 177.67 1ad1 h ASN 261 N 0.35 0.36 -0.68 1.04 -0.73 -0.44 -2.66 115.58 112.82 1ad1 h ASN 261 Ca 0.10 -0.26 0.10 0.00 1.87 0.00 0.00 56.30 58.11 1ad1 h ASN 261 Cb 0.28 -0.10 -0.08 0.00 0.27 0.00 0.00 38.32 38.70 1ad1 h ASN 261 CO 0.00 0.53 0.29 0.00 -0.37 0.00 0.00 177.43 177.88 1ad1 h ALA 262 N 0.84 0.92 -0.02 1.57 0.00 -0.84 -1.38 119.26 120.36 1ad1 h ALA 262 Ca 0.07 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ad1 h ALA 262 Cb 0.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ad1 h ALA 262 CO 0.00 -0.14 0.00 0.54 0.00 0.00 0.00 179.25 179.65 1ad1 n ARG 263 N -4.95 1.11 0.00 0.00 1.74 -0.61 -2.97 116.66 110.98 1ad1 n ARG 263 Ca 0.11 -0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1ad1 n ARG 263 Cb 0.31 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 1ad1 n ARG 263 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1ad1 n HIS 264 N -0.64 0.00 -0.04 -1.55 8.25 -0.74 -5.06 115.22 115.44 1ad1 n HIS 264 Ca 0.15 -0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1ad1 n HIS 264 Cb 0.11 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.20 1ad1 n HIS 264 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07