#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ls8 n GLN 2 N 0.00 0.00 0.24 1.43 6.02 -1.26 -4.08 117.38 119.73 1ls8 n GLN 2 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 1ls8 n GLN 2 Cb 0.00 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.21 1ls8 n GLN 2 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1ls8 h GLU 3 N 0.00 -0.63 -0.93 -1.09 4.57 -2.01 -1.78 114.58 112.71 1ls8 h GLU 3 Ca 0.00 0.04 0.22 0.00 -1.18 0.00 0.00 59.36 58.45 1ls8 h GLU 3 Cb 0.00 0.14 -0.12 0.00 -0.16 0.00 0.00 28.75 28.61 1ls8 h GLU 3 CO 0.00 -0.42 0.47 0.28 -1.18 0.00 0.00 179.01 178.16 1ls8 h VAL 4 N -1.02 0.52 -0.22 0.32 2.07 -1.96 0.35 116.25 116.30 1ls8 h VAL 4 Ca -0.07 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 1ls8 h VAL 4 Cb 0.50 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1ls8 h VAL 4 CO 0.11 0.09 -0.09 0.24 0.02 0.00 0.00 177.57 177.93 1ls8 h MET 5 N 0.49 0.46 -0.48 1.57 2.86 -1.84 -0.84 114.93 117.15 1ls8 h MET 5 Ca 0.58 -0.19 0.08 0.00 -2.06 0.00 0.00 59.70 58.11 1ls8 h MET 5 Cb 1.09 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.67 1ls8 h MET 5 CO -0.50 0.72 0.08 -0.22 1.06 0.00 0.00 176.91 178.06 1ls8 h LYS 6 N 0.17 0.21 0.00 1.72 3.64 -0.27 -3.28 116.57 118.76 1ls8 h LYS 6 Ca 0.05 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 1ls8 h LYS 6 Cb 0.58 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1ls8 h LYS 6 CO 0.03 0.14 -0.32 -0.97 -2.27 0.00 0.00 179.45 176.06 1ls8 h ASN 7 N 0.21 0.00 0.00 4.20 -1.24 0.45 0.39 115.58 119.60 1ls8 h ASN 7 Ca 0.24 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.25 1ls8 h ASN 7 Cb 0.32 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.37 1ls8 h ASN 7 CO -0.32 0.32 0.00 0.18 -1.29 0.00 0.00 177.43 176.32 1ls8 n LEU 8 N -3.58 0.00 -1.05 0.34 4.77 -0.40 -4.08 117.00 113.01 1ls8 n LEU 8 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1ls8 n LEU 8 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1ls8 n LEU 8 CO 0.36 0.00 0.03 -1.54 -1.33 0.00 0.00 177.39 174.91 1ls8 n SER 9 N -0.89 0.18 0.00 -1.43 3.41 0.13 -4.28 113.62 110.73 1ls8 n SER 9 Ca 0.09 -0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1ls8 n SER 9 Cb 0.04 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1ls8 n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ls8 n LEU 10 N 1.02 0.00 0.00 1.04 -0.00 -1.26 -4.41 117.00 113.39 1ls8 n LEU 10 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 56.01 56.11 1ls8 n LEU 10 Cb 0.03 0.00 0.55 0.00 -0.00 0.00 0.00 43.42 44.00 1ls8 n LEU 10 CO 0.00 0.00 0.79 0.59 -0.00 0.00 0.00 177.39 178.77 1ls8 n ASN 11 N 0.00 0.00 -0.10 1.45 3.02 -1.26 -3.23 115.26 115.14 1ls8 n ASN 11 Ca 0.00 -0.39 -0.13 0.00 -0.03 0.00 0.00 54.58 54.03 1ls8 n ASN 11 Cb 0.00 -0.11 -0.09 0.00 -0.61 0.00 0.00 39.78 38.97 1ls8 n ASN 11 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1ls8 h PHE 12 N 0.00 -1.59 0.00 3.10 3.04 -1.77 0.28 116.94 119.99 1ls8 h PHE 12 Ca 0.00 0.07 -0.17 0.00 3.98 0.00 0.00 57.97 61.85 1ls8 h PHE 12 Cb 0.07 0.74 -0.03 0.00 2.56 0.00 0.00 35.95 39.28 1ls8 h PHE 12 CO 0.00 -0.48 -1.94 0.41 -2.02 0.00 0.00 178.31 174.29 1ls8 n GLY 13 N -1.37 -1.07 0.29 2.40 0.00 -1.25 -3.78 105.19 100.42 1ls8 n GLY 13 Ca -0.04 -0.34 0.15 0.00 0.00 0.00 0.00 46.02 45.79 1ls8 n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ls8 h LYS 14 N 0.00 0.00 -0.40 1.61 3.64 -1.51 0.52 116.57 120.43 1ls8 h LYS 14 Ca -0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1ls8 h LYS 14 Cb 1.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.39 1ls8 h LYS 14 CO 0.02 0.04 0.00 0.00 -2.27 0.00 0.00 179.45 177.24 1ls8 n ALA 15 N -2.27 2.38 -0.08 5.00 0.00 0.08 -4.05 120.51 121.56 1ls8 n ALA 15 Ca -0.03 -1.03 -0.01 0.00 0.00 0.00 0.00 53.44 52.37 1ls8 n ALA 15 Cb 0.13 -0.75 0.25 0.00 0.00 0.00 0.00 19.45 19.08 1ls8 n ALA 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ls8 h LEU 16 N 3.78 0.65 -2.04 0.00 5.85 -0.98 -2.97 115.31 119.60 1ls8 h LEU 16 Ca 0.00 -0.11 0.12 0.00 0.84 0.00 0.00 57.88 58.73 1ls8 h LEU 16 Cb 0.89 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1ls8 h LEU 16 CO 0.00 0.65 0.34 0.44 -0.34 0.00 0.00 178.44 179.54 1ls8 h ASP 17 N 0.68 0.00 0.12 1.25 3.32 -1.70 0.30 116.42 120.39 1ls8 h ASP 17 Ca 0.15 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1ls8 h ASP 17 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1ls8 h ASP 17 CO -0.00 0.00 -0.06 -0.33 -1.72 0.00 0.00 179.24 177.13 1ls8 h GLU 18 N 0.00 -0.15 -0.90 3.56 4.39 -1.78 -2.69 114.58 117.01 1ls8 h GLU 18 Ca 0.20 0.01 0.11 0.00 0.34 0.00 0.00 59.36 60.02 1ls8 h GLU 18 Cb 0.88 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.50 1ls8 h GLU 18 CO -0.00 0.18 0.58 0.00 -1.16 0.00 0.00 179.01 178.61 1ls8 h LYS 20 N 0.86 0.16 -0.14 0.00 1.57 -0.56 -0.08 116.57 118.38 1ls8 h LYS 20 Ca 0.42 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 59.05 1ls8 h LYS 20 Cb 0.46 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1ls8 h LYS 20 CO -0.19 0.36 -0.39 -0.22 -0.57 0.00 0.00 179.45 178.45 1ls8 h LYS 21 N -0.08 0.30 -0.03 3.15 3.11 -0.96 -0.17 116.57 121.89 1ls8 h LYS 21 Ca 0.03 -0.14 -0.07 0.00 -2.81 0.00 0.00 60.65 57.66 1ls8 h LYS 21 Cb 0.28 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.51 1ls8 h LYS 21 CO 0.00 0.65 -0.27 0.93 -2.81 0.00 0.00 179.45 177.94 1ls8 h GLU 22 N 0.25 0.23 0.00 1.90 4.39 -0.60 -3.31 114.58 117.45 1ls8 h GLU 22 Ca 0.03 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1ls8 h GLU 22 Cb 0.80 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1ls8 h GLU 22 CO 0.06 0.90 -0.43 -1.33 -1.16 0.00 0.00 179.01 177.05 1ls8 n MET 23 N -4.48 0.10 -3.05 2.33 2.81 -0.05 -4.99 117.12 109.78 1ls8 n MET 23 Ca -0.09 0.04 -0.11 0.00 -1.81 0.00 0.00 57.70 55.72 1ls8 n MET 23 Cb 0.50 -1.57 0.01 0.00 -0.71 0.00 0.00 33.22 31.45 1ls8 n MET 23 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1ls8 n THR 24 N -1.72 -9.43 -1.85 2.03 -1.04 -0.23 -5.06 114.28 96.99 1ls8 n THR 24 Ca 0.05 0.45 0.00 0.00 -2.04 0.00 0.00 64.05 62.51 1ls8 n THR 24 Cb 0.37 -6.43 0.00 0.00 -1.82 0.00 0.00 70.33 62.45 1ls8 n THR 24 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1ls8 n LEU 25 N -0.79 0.00 -4.11 -4.42 4.77 -0.31 -5.03 117.00 107.11 1ls8 n LEU 25 Ca 0.03 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.93 1ls8 n LEU 25 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1ls8 n LEU 25 CO 0.51 -0.05 -0.33 0.42 -1.33 0.00 0.00 177.39 176.61 1ls8 s THR 26 N 1.64 0.17 -0.32 -5.08 -4.23 -1.26 -4.99 115.64 101.57 1ls8 s THR 26 Ca 0.00 -1.84 -0.01 0.00 -1.18 0.00 0.00 61.69 58.66 1ls8 s THR 26 Cb 0.00 -1.71 0.21 0.00 1.34 0.00 0.00 72.50 72.34 1ls8 s THR 26 CO 0.00 -0.79 2.03 -0.67 -0.54 0.00 0.00 174.62 174.65 1ls8 n ASP 27 N 0.03 6.48 -0.02 3.99 2.03 -1.26 -3.20 116.55 124.61 1ls8 n ASP 27 Ca -0.11 -3.07 0.02 0.00 0.52 0.00 0.00 54.79 52.15 1ls8 n ASP 27 Cb 0.62 -1.06 -0.07 0.00 -0.72 0.00 0.00 41.12 39.88 1ls8 n ASP 27 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ls8 n ALA 28 N 0.36 2.17 0.17 -1.67 0.00 -1.26 -4.65 120.51 115.62 1ls8 n ALA 28 Ca 0.30 -0.35 0.01 0.00 0.00 0.00 0.00 53.44 53.41 1ls8 n ALA 28 Cb 0.58 -0.21 0.30 0.00 0.00 0.00 0.00 19.45 20.12 1ls8 n ALA 28 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1ls8 h ILE 29 N 0.00 1.30 -0.82 0.00 -0.00 -1.97 -1.10 117.51 114.93 1ls8 h ILE 29 Ca -0.08 -1.53 0.12 0.00 -0.00 0.00 0.00 64.86 63.38 1ls8 h ILE 29 Cb 0.80 1.83 -0.08 0.00 -0.00 0.00 0.00 36.82 39.37 1ls8 h ILE 29 CO 0.00 0.43 0.43 -1.13 -0.00 0.00 0.00 178.15 177.89 1ls8 h ASN 30 N 0.00 0.54 -0.01 2.16 -0.73 -1.83 -1.93 115.58 113.79 1ls8 h ASN 30 Ca -0.00 0.08 -0.11 0.00 1.87 0.00 0.00 56.30 58.13 1ls8 h ASN 30 Cb 0.79 -0.02 0.01 0.00 0.27 0.00 0.00 38.32 39.38 1ls8 h ASN 30 CO 0.06 0.27 -0.44 -0.08 -0.37 0.00 0.00 177.43 176.86 1ls8 h GLU 31 N 0.66 0.32 -0.67 6.67 4.57 -1.80 -3.37 114.58 120.96 1ls8 h GLU 31 Ca 0.43 -0.33 0.18 0.00 -1.18 0.00 0.00 59.36 58.45 1ls8 h GLU 31 Cb 0.53 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.18 1ls8 h GLU 31 CO -0.32 1.01 0.47 0.22 -1.18 0.00 0.00 179.01 179.21 1ls8 h ASP 32 N -0.24 0.10 0.45 1.04 3.58 -0.43 0.15 116.42 121.06 1ls8 h ASP 32 Ca -0.05 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1ls8 h ASP 32 Cb 1.16 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.19 1ls8 h ASP 32 CO 0.09 0.05 0.00 -0.26 -2.88 0.00 0.00 179.24 176.24 1ls8 h PHE 33 N 0.11 0.00 -2.74 0.28 -1.00 -1.61 -3.44 116.94 108.54 1ls8 h PHE 33 Ca 0.32 0.00 -0.59 0.00 2.81 0.00 0.00 57.97 60.51 1ls8 h PHE 33 Cb 1.12 0.00 -0.16 0.00 3.61 0.00 0.00 35.95 40.52 1ls8 h PHE 33 CO -0.00 0.00 -0.78 -0.47 -1.61 0.00 0.00 178.31 175.45 1ls8 s TYR 34 N -3.86 2.15 -0.62 -0.55 5.04 0.54 -4.88 117.35 115.16 1ls8 s TYR 34 Ca -0.02 -0.39 -0.03 0.00 -2.44 0.00 0.00 57.07 54.19 1ls8 s TYR 34 Cb 0.11 -0.99 0.00 0.00 0.35 0.00 0.00 41.96 41.43 1ls8 s TYR 34 CO 0.44 0.55 0.43 -1.71 -1.34 0.00 0.00 175.55 173.93 1ls8 n ASN 35 N -0.20 -3.34 0.00 4.32 5.15 -1.26 -4.87 115.26 115.06 1ls8 n ASN 35 Ca -0.09 -0.73 0.00 0.00 -0.60 0.00 0.00 54.58 53.16 1ls8 n ASN 35 Cb 0.58 -1.13 0.00 0.00 -0.53 0.00 0.00 39.78 38.71 1ls8 n ASN 35 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1ls8 n PHE 36 N -2.24 0.00 0.00 1.20 3.01 -1.26 -4.97 117.46 113.20 1ls8 n PHE 36 Ca -0.22 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.24 1ls8 n PHE 36 Cb 0.49 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.91 1ls8 n PHE 36 CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 1ls8 n TRP 37 N -0.97 0.00 -4.02 1.38 7.02 -1.26 -5.06 117.44 114.53 1ls8 n TRP 37 Ca 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.37 1ls8 n TRP 37 Cb 0.00 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 28.84 1ls8 n TRP 37 CO 0.00 0.00 0.00 -1.59 -2.02 0.00 0.00 177.69 174.08 1ls8 s LYS 38 N 0.00 1.69 0.00 -0.99 -2.85 -1.26 -5.06 119.74 111.27 1ls8 s LYS 38 Ca 0.00 -1.42 0.28 0.00 -1.00 0.00 0.00 55.97 53.83 1ls8 s LYS 38 Cb 0.00 0.47 1.41 0.00 -2.06 0.00 0.00 37.83 37.64 1ls8 s LYS 38 CO 0.00 -0.71 1.96 -0.85 0.10 0.00 0.00 175.35 175.85 1ls8 n GLU 39 N -0.44 0.39 -2.58 1.78 0.28 -1.26 -2.98 120.64 115.82 1ls8 n GLU 39 Ca -0.01 0.02 -0.11 0.00 -0.16 0.00 0.00 57.16 56.90 1ls8 n GLU 39 Cb 0.62 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 32.02 1ls8 n GLU 39 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ls8 n GLY 40 N 1.10 3.19 2.73 -1.84 0.00 -1.26 -4.99 105.19 104.12 1ls8 n GLY 40 Ca 0.13 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.18 1ls8 n GLY 40 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ls8 s TYR 41 N -3.54 1.81 -0.48 1.61 6.14 -1.16 -5.09 117.35 116.64 1ls8 s TYR 41 Ca 0.35 -1.94 -0.29 0.00 0.64 0.00 0.00 57.07 55.83 1ls8 s TYR 41 Cb 0.39 -1.77 0.02 0.00 0.42 0.00 0.00 41.96 41.01 1ls8 s TYR 41 CO -0.02 -0.86 1.27 -2.00 0.64 0.00 0.00 175.55 174.58 1ls8 s GLU 42 N 1.29 3.58 0.29 4.97 2.12 -1.26 -4.74 118.70 124.95 1ls8 s GLU 42 Ca 0.12 0.62 -0.30 0.00 0.36 0.00 0.00 54.97 55.77 1ls8 s GLU 42 Cb -0.19 -3.99 -0.12 0.00 0.26 0.00 0.00 34.13 30.09 1ls8 s GLU 42 CO -0.18 -1.57 1.59 -0.89 -0.54 0.00 0.00 175.26 173.67 1ls8 n ILE 43 N 6.91 1.01 0.08 -3.70 5.41 -1.26 -4.95 119.36 122.86 1ls8 n ILE 43 Ca 0.13 -0.25 -0.15 0.00 1.00 0.00 0.00 62.75 63.48 1ls8 n ILE 43 Cb 0.49 -1.93 -0.14 0.00 -0.71 0.00 0.00 39.64 37.35 1ls8 n ILE 43 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1ls8 h LYS 44 N 4.77 0.21 -6.55 0.38 1.57 -2.02 -3.45 116.57 111.48 1ls8 h LYS 44 Ca -0.47 -0.36 -0.54 0.00 -1.87 0.00 0.00 60.65 57.41 1ls8 h LYS 44 Cb 1.23 0.13 0.05 0.00 0.08 0.00 0.00 32.23 33.72 1ls8 h LYS 44 CO 0.79 1.12 1.00 0.09 -0.57 0.00 0.00 179.45 181.89 1ls8 n ASN 45 N -3.46 3.78 -0.01 0.86 4.13 -1.26 -4.90 115.26 114.42 1ls8 n ASN 45 Ca -0.10 1.04 0.08 0.00 1.68 0.00 0.00 54.58 57.27 1ls8 n ASN 45 Cb 1.02 -1.52 -0.11 0.00 -1.54 0.00 0.00 39.78 37.63 1ls8 n ASN 45 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1ls8 n ARG 46 N 4.56 0.88 0.22 3.52 5.12 -1.26 -4.59 116.66 125.11 1ls8 n ARG 46 Ca 0.17 -0.10 0.09 0.00 -1.93 0.00 0.00 57.85 56.08 1ls8 n ARG 46 Cb 0.34 -1.32 0.47 0.00 -1.16 0.00 0.00 32.46 30.79 1ls8 n ARG 46 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1ls8 h GLU 47 N 0.00 0.00 0.00 5.56 5.08 -1.99 -3.02 114.58 120.21 1ls8 h GLU 47 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ls8 h GLU 47 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1ls8 h GLU 47 CO 0.00 0.26 0.00 2.41 -1.00 0.00 0.00 179.01 180.68 1ls8 n THR 48 N -3.51 0.00 0.60 1.13 -1.04 -1.26 -2.25 114.28 107.94 1ls8 n THR 48 Ca -0.00 1.45 0.11 0.00 -2.04 0.00 0.00 64.05 63.57 1ls8 n THR 48 Cb 0.42 -2.33 0.45 0.00 -1.82 0.00 0.00 70.33 67.05 1ls8 n THR 48 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ls8 n GLY 49 N -0.96 -1.33 0.18 3.41 0.00 -1.24 -0.77 105.19 104.48 1ls8 n GLY 49 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 1ls8 n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ls8 h ALA 51 N 1.33 0.25 -0.91 0.00 0.00 -0.49 -2.77 119.26 116.66 1ls8 h ALA 51 Ca 0.22 -0.73 0.02 0.00 0.00 0.00 0.00 54.91 54.41 1ls8 h ALA 51 Cb 0.26 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1ls8 h ALA 51 CO -0.27 0.79 0.60 0.82 0.00 0.00 0.00 179.25 181.20 1ls8 h ILE 52 N 0.25 1.21 0.47 0.00 2.04 -0.99 0.13 117.51 120.62 1ls8 h ILE 52 Ca -0.11 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 1ls8 h ILE 52 Cb 1.68 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 1ls8 h ILE 52 CO 0.18 0.22 -0.31 -0.03 0.00 0.00 0.00 178.15 178.22 1ls8 h MET 53 N 1.21 -0.72 -0.88 2.37 4.05 -1.38 -2.50 114.93 117.08 1ls8 h MET 53 Ca 0.34 0.05 0.22 0.00 -0.28 0.00 0.00 59.70 60.03 1ls8 h MET 53 Cb -0.10 0.16 -0.06 0.00 -0.80 0.00 0.00 31.60 30.81 1ls8 h MET 53 CO -0.09 -0.48 0.60 0.00 0.23 0.00 0.00 176.91 177.17 1ls8 h LEU 55 N 0.26 -0.68 -0.63 0.00 3.38 -0.83 -2.66 115.31 114.15 1ls8 h LEU 55 Ca 0.45 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.34 1ls8 h LEU 55 Cb 1.33 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 1ls8 h LEU 55 CO -0.12 -0.42 0.00 0.28 0.09 0.00 0.00 178.44 178.27 1ls8 h SER 56 N -0.94 1.06 -0.25 -0.43 0.02 -0.61 0.00 113.55 112.39 1ls8 h SER 56 Ca -0.08 -0.30 0.05 0.00 -0.84 0.00 0.00 61.79 60.62 1ls8 h SER 56 Cb 0.62 -0.28 -0.08 0.00 0.14 0.00 0.00 62.40 62.80 1ls8 h SER 56 CO 0.14 1.10 -0.46 0.74 -1.14 0.00 0.00 176.83 177.20 1ls8 h THR 57 N 0.98 0.09 -0.85 -2.27 2.02 -0.78 0.14 112.91 112.25 1ls8 h THR 57 Ca 0.17 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.36 1ls8 h THR 57 Cb 0.56 0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 1ls8 h THR 57 CO 0.03 0.00 0.56 0.50 0.37 0.00 0.00 175.52 176.98 1ls8 h LYS 58 N -0.45 1.12 0.00 6.66 1.63 -0.95 -0.03 116.57 124.55 1ls8 h LYS 58 Ca 0.09 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1ls8 h LYS 58 Cb 0.62 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1ls8 h LYS 58 CO -0.49 0.75 0.00 1.28 -3.45 0.00 0.00 179.45 177.54 1ls8 n LEU 59 N -4.49 0.00 -0.30 5.20 4.77 -0.10 -4.82 117.00 117.27 1ls8 n LEU 59 Ca 0.09 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.03 1ls8 n LEU 59 Cb 0.02 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1ls8 n LEU 59 CO 0.37 0.00 -0.04 0.59 -1.33 0.00 0.00 177.39 176.98 1ls8 n ASN 60 N -0.60 -5.64 0.19 -1.43 5.03 -0.03 -4.83 115.26 107.95 1ls8 n ASN 60 Ca 0.03 0.10 0.07 0.00 0.87 0.00 0.00 54.58 55.64 1ls8 n ASN 60 Cb 0.01 -3.48 0.34 0.00 -1.02 0.00 0.00 39.78 35.64 1ls8 n ASN 60 CO 0.00 0.00 0.00 -0.03 -1.83 0.00 0.00 177.26 175.40 1ls8 h MET 61 N 0.07 0.00 -6.40 3.52 4.05 -0.93 -3.44 114.93 111.79 1ls8 h MET 61 Ca -0.08 0.00 -0.69 0.00 -0.28 0.00 0.00 59.70 58.65 1ls8 h MET 61 Cb 0.98 0.00 -0.25 0.00 -0.80 0.00 0.00 31.60 31.52 1ls8 h MET 61 CO 0.12 0.34 -0.80 -0.51 0.23 0.00 0.00 176.91 176.28 1ls8 s LEU 62 N -6.92 2.55 0.90 3.39 1.43 -1.23 -1.06 118.68 117.73 1ls8 s LEU 62 Ca 0.01 -0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 52.72 1ls8 s LEU 62 Cb 0.10 -1.50 0.13 0.00 0.03 0.00 0.00 46.19 44.96 1ls8 s LEU 62 CO 0.68 0.34 1.11 -1.81 0.23 0.00 0.00 176.35 176.89 1ls8 s ASP 63 N -0.70 3.58 0.00 2.29 1.01 0.55 -4.79 116.67 118.60 1ls8 s ASP 63 Ca 0.11 1.22 0.24 0.00 0.71 0.00 0.00 52.55 54.83 1ls8 s ASP 63 Cb -0.10 -1.88 1.33 0.00 1.01 0.00 0.00 42.92 43.28 1ls8 s ASP 63 CO 0.00 -2.53 1.81 -0.81 0.21 0.00 0.00 175.17 173.85 1ls8 n PRO 64 N -3.79 0.54 -0.03 8.23 -0.04 -1.26 -1.17 135.00 137.48 1ls8 n PRO 64 Ca 0.06 0.03 -0.12 0.00 -0.04 0.00 0.00 63.50 63.44 1ls8 n PRO 64 Cb 0.57 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 1ls8 n PRO 64 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ls8 h GLU 65 N 0.00 -0.04 0.00 0.54 4.39 -2.05 -3.49 114.58 113.93 1ls8 h GLU 65 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ls8 h GLU 65 Cb 0.12 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1ls8 h GLU 65 CO 0.00 0.64 0.00 0.41 -1.16 0.00 0.00 179.01 178.90 1ls8 n GLY 66 N 1.11 1.04 3.59 -3.84 0.00 -0.32 -5.14 105.19 101.62 1ls8 n GLY 66 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 1ls8 n GLY 66 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ls8 s ASN 67 N -0.75 2.04 0.21 1.61 0.01 -1.26 -4.47 114.94 112.33 1ls8 s ASN 67 Ca 0.00 1.68 -0.23 0.00 -0.71 0.00 0.00 52.86 53.60 1ls8 s ASN 67 Cb 0.00 -2.33 -0.08 0.00 0.41 0.00 0.00 41.25 39.24 1ls8 s ASN 67 CO 0.00 -3.57 0.77 -0.22 -1.51 0.00 0.00 177.10 172.57 1ls8 s LEU 68 N -6.83 4.45 -0.26 0.60 2.96 -1.26 -0.33 118.68 118.01 1ls8 s LEU 68 Ca 0.67 1.57 -0.29 0.00 -0.22 0.00 0.00 54.13 55.86 1ls8 s LEU 68 Cb -0.23 -3.50 0.01 0.00 0.50 0.00 0.00 46.19 42.97 1ls8 s LEU 68 CO 0.61 0.10 1.05 -2.28 -1.32 0.00 0.00 176.35 174.52 1ls8 s HIS 69 N -1.37 3.27 0.15 5.38 2.46 -0.22 -4.86 115.29 120.11 1ls8 s HIS 69 Ca 0.40 1.38 -0.17 0.00 0.47 0.00 0.00 55.06 57.14 1ls8 s HIS 69 Cb -0.20 -3.40 0.06 0.00 -0.13 0.00 0.00 32.58 28.91 1ls8 s HIS 69 CO 0.24 -0.59 1.69 1.12 -2.47 0.00 0.00 174.74 174.73 1ls8 h HIS 70 N 7.66 -0.11 -0.01 3.88 2.07 -1.95 -1.69 115.15 125.00 1ls8 h HIS 70 Ca -0.20 0.03 -0.25 0.00 -2.85 0.00 0.00 60.37 57.10 1ls8 h HIS 70 Cb 1.06 0.10 0.02 0.00 2.57 0.00 0.00 27.41 31.16 1ls8 h HIS 70 CO 0.78 -0.11 -0.97 0.78 -3.07 0.00 0.00 177.93 175.34 1ls8 h GLY 71 N 0.04 0.76 0.93 6.13 0.00 -1.97 -0.57 103.07 108.40 1ls8 h GLY 71 Ca 0.16 -1.30 -0.06 0.00 0.00 0.00 0.00 47.33 46.13 1ls8 h GLY 71 CO -0.32 1.15 -0.00 3.43 0.00 0.00 0.00 176.54 180.80 1ls8 h ASN 72 N 0.35 0.65 0.52 0.19 2.35 -1.89 -1.11 115.58 116.64 1ls8 h ASN 72 Ca -0.12 -0.31 -0.09 0.00 -0.55 0.00 0.00 56.30 55.23 1ls8 h ASN 72 Cb 1.63 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.81 1ls8 h ASN 72 CO 0.19 0.80 -0.42 0.00 -1.65 0.00 0.00 177.43 176.36 1ls8 h ALA 73 N 0.87 1.20 0.10 -0.83 0.00 -1.35 -2.29 119.26 116.96 1ls8 h ALA 73 Ca 0.11 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ls8 h ALA 73 Cb 0.47 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ls8 h ALA 73 CO 0.02 0.52 -0.10 1.98 0.00 0.00 0.00 179.25 181.67 1ls8 h MET 74 N 0.00 -0.22 -0.53 0.00 1.85 -0.83 -3.10 114.93 112.10 1ls8 h MET 74 Ca -0.00 0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.10 1ls8 h MET 74 Cb 0.79 0.05 -0.03 0.00 0.43 0.00 0.00 31.60 32.84 1ls8 h MET 74 CO 0.05 -0.15 0.31 0.93 -0.40 0.00 0.00 176.91 177.66 1ls8 h GLU 75 N -0.23 0.72 -0.34 0.39 5.08 -0.67 0.17 114.58 119.70 1ls8 h GLU 75 Ca 0.01 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1ls8 h GLU 75 Cb 0.22 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1ls8 h GLU 75 CO -0.04 0.52 0.18 0.35 -1.00 0.00 0.00 179.01 179.02 1ls8 h PHE 76 N 0.73 0.46 0.01 4.33 3.57 -1.39 -3.01 116.94 121.64 1ls8 h PHE 76 Ca 0.19 -0.00 -0.33 0.00 3.53 0.00 0.00 57.97 61.36 1ls8 h PHE 76 Cb -0.01 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.53 1ls8 h PHE 76 CO 0.00 0.33 -1.97 0.00 -2.23 0.00 0.00 178.31 174.45 1ls8 n ALA 77 N -2.48 1.44 0.31 2.41 0.00 -0.43 -4.14 120.51 117.61 1ls8 n ALA 77 Ca 0.02 -0.93 0.19 0.00 0.00 0.00 0.00 53.44 52.72 1ls8 n ALA 77 Cb 0.11 -0.61 0.91 0.00 0.00 0.00 0.00 19.45 19.86 1ls8 n ALA 77 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1ls8 h LYS 78 N 0.01 0.00 -0.20 0.00 5.09 -0.60 -2.53 116.57 118.33 1ls8 h LYS 78 Ca -0.39 0.00 0.02 0.00 0.09 0.00 0.00 60.65 60.37 1ls8 h LYS 78 Cb 2.08 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 34.38 1ls8 h LYS 78 CO 0.06 0.00 -0.12 -0.22 -2.09 0.00 0.00 179.45 177.08 1ls8 h LYS 79 N 0.00 -0.00 -0.00 0.07 1.63 -1.69 0.36 116.57 116.93 1ls8 h LYS 79 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1ls8 h LYS 79 Cb 0.26 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 1ls8 h LYS 79 CO 0.00 -0.00 -0.15 1.58 -3.45 0.00 0.00 179.45 177.42 1ls8 n HIS 80 N -3.46 0.00 -1.46 1.91 -0.00 -1.24 -4.96 115.22 106.01 1ls8 n HIS 80 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1ls8 n HIS 80 Cb 0.05 -0.18 0.00 0.00 -0.12 0.00 0.00 29.99 29.75 1ls8 n HIS 80 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ls8 n GLY 81 N 1.31 -0.32 3.12 1.57 0.00 0.11 -5.05 105.19 105.94 1ls8 n GLY 81 Ca 0.13 -0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 1ls8 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ls8 n ALA 82 N -0.92 -3.19 -1.74 4.61 0.00 -0.96 -5.00 120.51 113.31 1ls8 n ALA 82 Ca 0.00 -1.58 -0.30 0.00 0.00 0.00 0.00 53.44 51.55 1ls8 n ALA 82 Cb 0.43 -1.27 0.05 0.00 0.00 0.00 0.00 19.45 18.66 1ls8 n ALA 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ls8 s ASP 83 N -2.67 5.41 0.20 0.00 1.11 -1.26 -4.97 116.67 114.49 1ls8 s ASP 83 Ca 0.54 1.34 0.05 0.00 0.18 0.00 0.00 52.55 54.66 1ls8 s ASP 83 Cb -0.10 -2.21 0.11 0.00 1.07 0.00 0.00 42.92 41.80 1ls8 s ASP 83 CO 0.45 -1.39 1.46 1.05 1.18 0.00 0.00 175.17 177.92 1ls8 h GLU 84 N -0.68 0.15 0.33 8.23 4.11 -2.00 -3.07 114.58 121.64 1ls8 h GLU 84 Ca -0.45 -0.14 -0.02 0.00 0.07 0.00 0.00 59.36 58.82 1ls8 h GLU 84 Cb 1.23 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1ls8 h GLU 84 CO 0.61 0.85 -0.16 1.15 0.07 0.00 0.00 179.01 181.52 1ls8 h THR 85 N 0.09 0.00 -0.55 -1.06 2.02 -1.99 -3.31 112.91 108.11 1ls8 h THR 85 Ca -0.02 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 66.71 1ls8 h THR 85 Cb 1.35 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1ls8 h THR 85 CO 0.11 0.00 -0.05 -0.03 0.37 0.00 0.00 175.52 175.92 1ls8 h MET 86 N -0.79 1.00 -0.20 6.66 1.85 -1.96 0.11 114.93 121.60 1ls8 h MET 86 Ca -0.05 -0.34 -0.05 0.00 -0.61 0.00 0.00 59.70 58.65 1ls8 h MET 86 Cb 0.34 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.28 1ls8 h MET 86 CO 0.07 1.02 -0.10 0.00 -0.40 0.00 0.00 176.91 177.51 1ls8 h ALA 87 N 0.94 1.45 0.05 0.39 0.00 -1.74 -1.22 119.26 119.13 1ls8 h ALA 87 Ca 0.15 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1ls8 h ALA 87 Cb 0.60 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1ls8 h ALA 87 CO 0.04 0.38 -0.34 0.37 0.00 0.00 0.00 179.25 179.71 1ls8 h GLN 88 N 0.31 0.15 -0.92 0.00 -0.00 -1.30 -3.24 115.11 110.10 1ls8 h GLN 88 Ca 0.06 -0.22 0.02 0.00 -0.00 0.00 0.00 58.65 58.51 1ls8 h GLN 88 Cb 0.37 0.08 -0.05 0.00 0.00 0.00 0.00 27.48 27.88 1ls8 h GLN 88 CO 0.02 1.06 0.61 1.96 0.00 0.00 0.00 178.83 182.48 1ls8 h GLN 89 N -0.66 1.18 -0.02 1.69 4.20 -0.75 -1.15 115.11 119.61 1ls8 h GLN 89 Ca -0.05 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1ls8 h GLN 89 Cb 1.21 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 28.73 1ls8 h GLN 89 CO 0.06 0.78 0.02 -0.07 -0.67 0.00 0.00 178.83 178.96 1ls8 h LEU 90 N 1.22 0.00 0.13 1.46 4.07 -1.29 0.38 115.31 121.28 1ls8 h LEU 90 Ca 0.35 0.00 -0.28 0.00 0.08 0.00 0.00 57.88 58.03 1ls8 h LEU 90 Cb -0.09 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.66 1ls8 h LEU 90 CO -0.09 0.00 -1.26 0.40 -1.08 0.00 0.00 178.44 176.41 1ls8 h ILE 91 N 0.00 1.48 0.01 1.22 2.04 -1.26 -3.30 117.51 117.70 1ls8 h ILE 91 Ca 0.01 -3.05 -0.34 0.00 1.00 0.00 0.00 64.86 62.48 1ls8 h ILE 91 Cb 0.06 2.94 -0.06 0.00 -0.74 0.00 0.00 36.82 39.02 1ls8 h ILE 91 CO -0.00 0.89 -2.13 -0.67 0.00 0.00 0.00 178.15 176.24 1ls8 n ASP 92 N -3.53 0.56 -0.09 1.72 2.03 -0.01 -1.31 116.55 115.91 1ls8 n ASP 92 Ca -0.09 0.15 -0.12 0.00 0.52 0.00 0.00 54.79 55.26 1ls8 n ASP 92 Cb 1.03 0.42 -0.07 0.00 -0.72 0.00 0.00 41.12 41.78 1ls8 n ASP 92 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1ls8 h ILE 93 N 0.00 0.08 -0.15 5.18 2.04 -0.57 -0.24 117.51 123.85 1ls8 h ILE 93 Ca -0.45 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.46 1ls8 h ILE 93 Cb 2.13 0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 38.24 1ls8 h ILE 93 CO 0.04 0.00 -0.15 0.58 0.00 0.00 0.00 178.15 178.62 1ls8 h VAL 94 N -0.40 0.59 -0.56 1.67 2.07 -1.63 -0.19 116.25 117.80 1ls8 h VAL 94 Ca 0.10 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.72 1ls8 h VAL 94 Cb 0.61 0.59 -0.08 0.00 -1.52 0.00 0.00 31.29 30.89 1ls8 h VAL 94 CO -0.54 0.00 0.13 -0.74 0.02 0.00 0.00 177.57 176.45 1ls8 h HIS 95 N -0.17 0.22 -0.53 1.57 6.17 -0.86 0.22 115.15 121.76 1ls8 h HIS 95 Ca 0.10 0.03 -0.11 0.00 0.71 0.00 0.00 60.37 61.11 1ls8 h HIS 95 Cb 0.32 -0.01 -0.02 0.00 2.52 0.00 0.00 27.41 30.22 1ls8 h HIS 95 CO -0.28 -0.00 -0.08 0.78 0.71 0.00 0.00 177.93 179.06 1ls8 h GLY 96 N 0.27 1.06 0.91 5.26 0.00 -0.61 -2.65 103.07 107.32 1ls8 h GLY 96 Ca 0.29 -0.82 -0.15 0.00 0.00 0.00 0.00 47.33 46.65 1ls8 h GLY 96 CO -0.36 0.75 -0.50 0.00 0.00 0.00 0.00 176.54 176.43 1ls8 h GLU 98 N 0.19 0.00 0.00 0.00 5.08 -0.61 0.14 114.58 119.38 1ls8 h GLU 98 Ca -0.03 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1ls8 h GLU 98 Cb 1.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1ls8 h GLU 98 CO 0.11 0.01 -0.24 -0.22 -1.00 0.00 0.00 179.01 177.66 1ls8 h LYS 99 N 0.00 0.00 -0.36 2.33 3.11 -1.41 -3.39 116.57 116.85 1ls8 h LYS 99 Ca -0.00 0.00 0.04 0.00 -2.81 0.00 0.00 60.65 57.88 1ls8 h LYS 99 Cb 0.06 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.25 1ls8 h LYS 99 CO 0.00 0.76 0.14 1.03 -2.81 0.00 0.00 179.45 178.57 1ls8 h SER 100 N -1.00 0.16 -3.29 4.20 0.87 -0.26 -3.38 113.55 110.85 1ls8 h SER 100 Ca -0.06 0.04 -0.57 0.00 -1.23 0.00 0.00 61.79 59.96 1ls8 h SER 100 Cb 0.84 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.75 1ls8 h SER 100 CO -0.04 0.13 0.85 -0.89 -0.53 0.00 0.00 176.83 176.35 1ls8 s THR 101 N -6.16 4.51 0.71 2.23 2.01 0.41 -5.04 115.64 114.31 1ls8 s THR 101 Ca -0.13 1.75 -0.12 0.00 0.31 0.00 0.00 61.69 63.50 1ls8 s THR 101 Cb 0.12 -4.40 0.17 0.00 0.01 0.00 0.00 72.50 68.40 1ls8 s THR 101 CO 0.71 -0.45 0.77 -0.81 -0.69 0.00 0.00 174.62 174.15 1ls8 n PRO 102 N 6.83 -1.62 -2.30 4.92 -0.04 -1.26 -4.76 135.00 136.77 1ls8 n PRO 102 Ca 0.12 -1.21 -0.43 0.00 -0.04 0.00 0.00 63.50 61.94 1ls8 n PRO 102 Cb 0.47 -0.96 -0.02 0.00 -0.04 0.00 0.00 33.50 32.95 1ls8 n PRO 102 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ls8 s ALA 103 N -3.49 3.49 0.29 0.55 0.00 -1.26 -4.91 121.76 116.43 1ls8 s ALA 103 Ca 0.47 0.42 -0.16 0.00 0.00 0.00 0.00 51.96 52.68 1ls8 s ALA 103 Cb -0.03 -3.73 -0.09 0.00 0.00 0.00 0.00 23.12 19.27 1ls8 s ALA 103 CO 0.34 -1.54 0.72 1.21 0.00 0.00 0.00 175.76 176.50 1ls8 s ASN 104 N 2.86 6.83 0.00 0.00 2.47 -1.26 -4.97 114.94 120.88 1ls8 s ASN 104 Ca 0.61 1.30 0.00 0.00 0.42 0.00 0.00 52.86 55.19 1ls8 s ASN 104 Cb -0.22 -2.38 0.00 0.00 -1.45 0.00 0.00 41.25 37.20 1ls8 s ASN 104 CO 0.22 -0.14 0.41 -0.67 -3.72 0.00 0.00 177.10 173.19 1ls8 n ASP 105 N -0.10 0.29 -3.70 -4.21 2.03 -1.26 -4.35 116.55 105.26 1ls8 n ASP 105 Ca 0.02 -1.10 -0.19 0.00 0.52 0.00 0.00 54.79 54.03 1ls8 n ASP 105 Cb 0.53 -0.15 -0.18 0.00 -0.72 0.00 0.00 41.12 40.60 1ls8 n ASP 105 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ls8 s ASP 106 N -0.92 1.00 0.51 1.67 -1.08 -1.26 -5.03 116.67 111.56 1ls8 s ASP 106 Ca 0.00 0.06 0.29 0.00 -0.52 0.00 0.00 52.55 52.38 1ls8 s ASP 106 Cb 0.00 -0.16 1.40 0.00 -1.46 0.00 0.00 42.92 42.71 1ls8 s ASP 106 CO 0.00 -0.22 1.85 0.50 0.52 0.00 0.00 175.17 177.82 1ls8 h LYS 107 N 8.23 0.10 0.20 4.34 1.63 -1.99 0.11 116.57 129.17 1ls8 h LYS 107 Ca -0.19 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.60 1ls8 h LYS 107 Cb 1.12 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 1ls8 h LYS 107 CO 0.22 0.06 -0.09 0.00 -3.45 0.00 0.00 179.45 176.19 1ls8 h ILE 109 N -0.69 1.23 0.39 0.00 5.03 -1.52 0.13 117.51 122.08 1ls8 h ILE 109 Ca -0.03 -1.06 -0.02 0.00 -0.12 0.00 0.00 64.86 63.63 1ls8 h ILE 109 Cb 0.49 1.43 0.00 0.00 -3.03 0.00 0.00 36.82 35.71 1ls8 h ILE 109 CO 0.04 0.32 -0.19 -0.25 -0.68 0.00 0.00 178.15 177.39 1ls8 h TRP 110 N 0.17 -0.49 0.21 1.37 7.01 -1.03 -1.98 115.95 121.21 1ls8 h TRP 110 Ca 0.03 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.03 1ls8 h TRP 110 Cb 0.54 0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.73 1ls8 h TRP 110 CO 0.01 -0.29 -0.34 1.15 -2.79 0.00 0.00 178.44 176.18 1ls8 h THR 111 N -0.56 0.29 -0.86 2.65 2.02 -0.01 -2.62 112.91 113.82 1ls8 h THR 111 Ca -0.05 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.27 1ls8 h THR 111 Cb 0.42 0.29 -0.15 0.00 -1.74 0.00 0.00 68.15 66.98 1ls8 h THR 111 CO 0.09 0.00 -0.33 -0.07 0.37 0.00 0.00 175.52 175.58 1ls8 h LEU 112 N -0.62 -1.19 -0.42 2.58 -0.00 -0.79 0.32 115.31 115.19 1ls8 h LEU 112 Ca 0.01 0.28 0.06 0.00 -0.00 0.00 0.00 57.88 58.23 1ls8 h LEU 112 Cb 0.61 0.65 -0.06 0.00 -0.00 0.00 0.00 40.66 41.87 1ls8 h LEU 112 CO -0.14 -0.29 0.10 1.23 -0.00 0.00 0.00 178.44 179.33 1ls8 h GLY 113 N -0.04 0.51 1.04 0.83 0.00 -0.99 -0.68 103.07 103.74 1ls8 h GLY 113 Ca 0.34 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.60 1ls8 h GLY 113 CO -0.89 -0.03 0.37 -2.08 0.00 0.00 0.00 176.54 173.91 1ls8 h VAL 114 N 0.23 1.26 -0.18 4.60 2.07 -0.88 -3.06 116.25 120.29 1ls8 h VAL 114 Ca 0.20 -0.77 -0.10 0.00 0.82 0.00 0.00 66.70 66.85 1ls8 h VAL 114 Cb 0.24 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1ls8 h VAL 114 CO -0.26 0.32 -0.34 0.00 0.02 0.00 0.00 177.57 177.32 1ls8 h ALA 115 N 1.20 1.10 -0.06 1.67 0.00 0.57 -0.44 119.26 123.31 1ls8 h ALA 115 Ca 0.28 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1ls8 h ALA 115 Cb 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ls8 h ALA 115 CO -0.03 0.57 -0.13 1.15 0.00 0.00 0.00 179.25 180.81 1ls8 h THR 116 N 0.32 1.43 -0.71 0.00 2.02 -1.13 -3.08 112.91 111.76 1ls8 h THR 116 Ca 0.04 -1.46 0.01 0.00 0.77 0.00 0.00 66.41 65.77 1ls8 h THR 116 Cb 0.75 2.25 -0.04 0.00 -1.74 0.00 0.00 68.15 69.37 1ls8 h THR 116 CO 0.06 0.40 0.47 0.00 0.37 0.00 0.00 175.52 176.82 1ls8 h PHE 118 N 0.94 -0.93 0.00 0.00 3.57 -1.07 -1.86 116.94 117.59 1ls8 h PHE 118 Ca 0.26 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.72 1ls8 h PHE 118 Cb -0.08 0.41 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1ls8 h PHE 118 CO -0.00 -0.42 -0.34 0.87 -2.23 0.00 0.00 178.31 176.19 1ls8 h LYS 119 N -0.47 0.00 -0.39 1.11 1.79 -1.34 -1.87 116.57 115.40 1ls8 h LYS 119 Ca 0.07 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.52 1ls8 h LYS 119 Cb 0.57 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.20 1ls8 h LYS 119 CO -0.29 0.34 0.18 0.00 -1.08 0.00 0.00 179.45 178.59 1ls8 h ALA 120 N 1.66 0.50 0.24 3.86 0.00 -0.74 -0.91 119.26 123.86 1ls8 h ALA 120 Ca -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1ls8 h ALA 120 Cb 0.61 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ls8 h ALA 120 CO 0.04 0.08 -0.11 0.93 0.00 0.00 0.00 179.25 180.19 1ls8 h GLU 121 N 0.49 -0.31 -0.05 0.00 4.39 -1.10 -2.19 114.58 115.81 1ls8 h GLU 121 Ca 0.13 0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.87 1ls8 h GLU 121 Cb 0.14 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1ls8 h GLU 121 CO -0.01 -0.18 0.05 0.82 -1.16 0.00 0.00 179.01 178.53 1ls8 h ILE 122 N -0.35 0.63 0.22 3.13 1.08 -1.08 -0.21 117.51 120.91 1ls8 h ILE 122 Ca -0.03 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.43 1ls8 h ILE 122 Cb 0.27 0.96 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 1ls8 h ILE 122 CO 0.05 0.00 -0.10 -0.74 -0.69 0.00 0.00 178.15 176.67 1ls8 h HIS 123 N 0.00 -0.27 -0.29 1.37 2.76 -0.99 -1.95 115.15 115.79 1ls8 h HIS 123 Ca 0.03 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1ls8 h HIS 123 Cb 0.13 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.17 1ls8 h HIS 123 CO 0.00 0.03 0.14 1.57 -1.30 0.00 0.00 177.93 178.37 1ls8 h LYS 124 N -0.99 0.40 0.00 5.26 2.10 -0.86 -0.33 116.57 122.14 1ls8 h LYS 124 Ca -0.03 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1ls8 h LYS 124 Cb 0.42 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 1ls8 h LYS 124 CO 0.05 0.31 0.00 1.28 -2.00 0.00 0.00 179.45 179.09 1ls8 n LEU 125 N -4.44 0.38 -0.54 7.07 4.77 -0.14 -4.87 117.00 119.23 1ls8 n LEU 125 Ca 0.01 0.61 -0.07 0.00 -0.03 0.00 0.00 56.01 56.53 1ls8 n LEU 125 Cb 0.11 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.59 1ls8 n LEU 125 CO 0.36 -0.52 -0.07 -3.20 -1.33 0.00 0.00 177.39 172.63 1ls8 n ASN 126 N -1.94 -4.82 -1.60 -1.43 5.15 -0.13 -4.89 115.26 105.59 1ls8 n ASN 126 Ca 0.02 0.18 -0.08 0.00 -0.60 0.00 0.00 54.58 54.10 1ls8 n ASN 126 Cb 0.16 -2.94 0.02 0.00 -0.53 0.00 0.00 39.78 36.49 1ls8 n ASN 126 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1ls8 n TRP 127 N -2.47 0.75 -3.74 1.20 8.01 -0.75 -4.73 117.44 115.71 1ls8 n TRP 127 Ca -0.07 -1.33 -0.29 0.00 -1.31 0.00 0.00 57.50 54.50 1ls8 n TRP 127 Cb 0.39 -0.66 -0.12 0.00 -2.01 0.00 0.00 31.31 28.91 1ls8 n TRP 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1ls8 s ALA 128 N -0.87 2.63 1.07 6.99 0.00 -1.25 -4.90 121.76 125.43 1ls8 s ALA 128 Ca 0.15 -2.99 -0.13 0.00 0.00 0.00 0.00 51.96 48.99 1ls8 s ALA 128 Cb 0.12 -1.95 0.18 0.00 0.00 0.00 0.00 23.12 21.47 1ls8 s ALA 128 CO 0.00 -2.05 0.87 -0.35 0.00 0.00 0.00 175.76 174.24 1ls8 n PRO 129 N 2.97 -1.57 0.01 0.00 -0.04 -1.26 -5.06 135.00 130.04 1ls8 n PRO 129 Ca 0.14 -1.37 -0.03 0.00 -0.04 0.00 0.00 63.50 62.21 1ls8 n PRO 129 Cb 0.36 -1.05 -0.01 0.00 -0.04 0.00 0.00 33.50 32.77 1ls8 n PRO 129 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ls8 n SER 130 N -3.90 0.94 0.42 3.54 7.64 -1.26 -4.81 113.62 116.19 1ls8 n SER 130 Ca 0.11 0.13 -0.16 0.00 1.01 0.00 0.00 58.87 59.96 1ls8 n SER 130 Cb 0.41 -0.32 -0.08 0.00 -1.01 0.00 0.00 64.21 63.22 1ls8 n SER 130 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1ls8 h MET 131 N -0.18 -1.03 -5.78 1.43 2.86 -2.07 -3.44 114.93 106.73 1ls8 h MET 131 Ca -0.04 0.07 -0.54 0.00 -2.06 0.00 0.00 59.70 57.13 1ls8 h MET 131 Cb 0.51 0.23 -0.00 0.00 0.06 0.00 0.00 31.60 32.40 1ls8 h MET 131 CO -0.03 -0.69 1.56 -0.25 1.06 0.00 0.00 176.91 178.57 1ls8 n ASP 132 N -5.21 2.59 -4.60 1.22 9.92 -1.26 -4.91 116.55 114.30 1ls8 n ASP 132 Ca -0.13 -0.10 -0.50 0.00 -0.53 0.00 0.00 54.79 53.53 1ls8 n ASP 132 Cb 0.42 -1.51 -0.05 0.00 -0.64 0.00 0.00 41.12 39.34 1ls8 n ASP 132 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1ls8 n VAL 133 N 7.80 0.15 -0.03 2.53 0.24 -1.26 -4.76 118.33 123.01 1ls8 n VAL 133 Ca 0.36 -0.04 -0.08 0.00 -2.04 0.00 0.00 64.34 62.54 1ls8 n VAL 133 Cb 0.45 -0.97 -0.14 0.00 -1.47 0.00 0.00 33.84 31.72 1ls8 n VAL 133 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ls8 n ALA 134 N 2.52 1.53 -2.68 2.33 0.00 -1.26 -4.73 120.51 118.22 1ls8 n ALA 134 Ca 0.17 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1ls8 n ALA 134 Cb 0.22 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1ls8 n ALA 134 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ls8 n VAL 135 N -3.00 0.00 -0.96 0.00 0.31 -1.26 -4.56 118.33 108.86 1ls8 n VAL 135 Ca -0.18 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.85 1ls8 n VAL 135 Cb 1.05 -0.04 0.24 0.00 -0.91 0.00 0.00 33.84 34.18 1ls8 n VAL 135 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1ls8 s GLY 136 N -0.04 1.55 0.00 2.92 0.00 -1.26 -4.84 107.32 105.65 1ls8 s GLY 136 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.87 1ls8 s GLY 136 CO 0.00 0.03 0.00 -1.84 0.00 0.00 0.00 173.10 171.29 1ls8 n GLU 137 N -4.86 2.12 -1.68 2.90 0.28 -1.26 -4.90 120.64 113.25 1ls8 n GLU 137 Ca 0.12 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 57.04 1ls8 n GLU 137 Cb 0.59 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.47 1ls8 n GLU 137 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1ls8 n ILE 138 N -0.24 -1.06 -1.69 3.84 2.08 -1.26 -4.83 119.36 116.22 1ls8 n ILE 138 Ca 0.00 0.08 -0.42 0.00 0.56 0.00 0.00 62.75 62.97 1ls8 n ILE 138 Cb 0.00 -1.11 -0.03 0.00 -0.75 0.00 0.00 39.64 37.75 1ls8 n ILE 138 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 1ls8 s LEU 139 N -0.64 4.42 -0.21 1.39 -0.00 -1.26 -4.97 118.68 117.42 1ls8 s LEU 139 Ca 0.08 2.69 -0.14 0.00 -0.00 0.00 0.00 54.13 56.77 1ls8 s LEU 139 Cb -0.01 -3.54 0.06 0.00 -0.00 0.00 0.00 46.19 42.70 1ls8 s LEU 139 CO 0.18 -1.04 0.52 0.00 -0.00 0.00 0.00 176.35 176.01 1ls8 s ALA 140 N 3.97 -1.34 0.00 1.48 0.00 -1.26 -5.11 121.76 119.50 1ls8 s ALA 140 Ca 0.86 1.73 0.00 0.00 0.00 0.00 0.00 51.96 54.55 1ls8 s ALA 140 Cb -0.44 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 21.66 1ls8 s ALA 140 CO 0.40 -0.29 0.00 -1.91 0.00 0.00 0.00 175.76 173.96 1ls8 n GLU 141 N 3.75 0.00 -0.13 0.00 4.07 -1.26 -5.17 120.64 121.90 1ls8 n GLU 141 Ca -0.19 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.91 1ls8 n GLU 141 Cb 0.56 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.94 1ls8 n GLU 141 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40