#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 0.20 1.43 6.02 -1.26 -4.26 117.38 119.51 1ls8 n GLN 2 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 1ls8 n GLN 2 Cb 0.00 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.19 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 -0.52 -0.93 -1.09 4.57 -1.99 -2.38 114.58 112.24 1ls8 h GLU 3 Ca 0.00 0.04 0.27 0.00 -1.18 0.00 0.00 59.36 58.48 1ls8 h GLU 3 Cb 0.00 0.12 -0.14 0.00 -0.16 0.00 0.00 28.75 28.56 1ls8 h GLU 3 CO 0.00 -0.21 0.36 0.28 -1.18 0.00 0.00 179.01 178.27 1ls8 h VAL 4 N -0.91 0.31 -0.25 0.32 2.07 -1.96 0.32 116.25 116.15 1ls8 h VAL 4 Ca -0.06 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1ls8 h VAL 4 Cb 0.55 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1ls8 h VAL 4 CO 0.09 0.05 0.06 0.24 0.02 0.00 0.00 177.57 178.03 1ls8 h MET 5 N 0.25 0.41 -0.14 1.57 2.86 -1.81 0.16 114.93 118.23 1ls8 h MET 5 Ca 0.62 -0.10 0.03 0.00 -2.06 0.00 0.00 59.70 58.19 1ls8 h MET 5 Cb 1.33 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.91 1ls8 h MET 5 CO -0.64 0.51 -0.03 -0.22 1.06 0.00 0.00 176.91 177.59 1ls8 h LYS 6 N 0.24 0.01 -0.54 1.72 1.63 -0.67 -3.34 116.57 115.62 1ls8 h LYS 6 Ca 0.08 -0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.76 1ls8 h LYS 6 Cb 0.28 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.89 1ls8 h LYS 6 CO 0.00 0.01 -0.11 -0.97 -3.45 0.00 0.00 179.45 174.92 1ls8 h ASN 7 N 0.01 1.04 0.00 4.20 -1.24 0.32 -1.65 115.58 118.26 1ls8 h ASN 7 Ca 0.07 -0.35 0.00 0.00 0.71 0.00 0.00 56.30 56.72 1ls8 h ASN 7 Cb 0.09 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 38.86 1ls8 h ASN 7 CO -0.13 1.15 0.08 0.18 -1.29 0.00 0.00 177.43 177.42 1ls8 n LEU 8 N -4.15 0.00 -2.43 0.34 4.77 0.49 -3.78 117.00 112.25 1ls8 n LEU 8 Ca 0.01 0.34 -0.12 0.00 -0.03 0.00 0.00 56.01 56.21 1ls8 n LEU 8 Cb 0.41 -0.34 -0.09 0.00 -2.33 0.00 0.00 43.42 41.07 1ls8 n LEU 8 CO 0.46 -0.34 1.59 -1.20 -1.33 0.00 0.00 177.39 176.56 1ls8 n SER 9 N -1.33 4.08 0.28 -1.43 7.64 -0.62 -4.53 113.62 117.70 1ls8 n SER 9 Ca 0.00 -2.21 -0.14 0.00 1.01 0.00 0.00 58.87 57.53 1ls8 n SER 9 Cb 0.08 -1.01 -0.07 0.00 -1.01 0.00 0.00 64.21 62.20 1ls8 n SER 9 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1ls8 h LEU 10 N 6.00 -0.61 0.00 -3.43 -0.00 -1.87 -3.36 115.31 112.04 1ls8 h LEU 10 Ca 0.24 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 1ls8 h LEU 10 Cb 0.81 0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.62 1ls8 h LEU 10 CO 0.62 -0.25 -0.79 0.59 -0.00 0.00 0.00 178.44 178.61 1ls8 n ASN 11 N -5.30 0.77 -0.17 -0.43 3.02 -1.26 -4.59 115.26 107.29 1ls8 n ASN 11 Ca -0.11 -0.82 0.14 0.00 -0.03 0.00 0.00 54.58 53.76 1ls8 n ASN 11 Cb 0.33 1.04 0.47 0.00 -0.61 0.00 0.00 39.78 41.01 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 0.56 0.00 3.10 3.04 -1.83 -0.34 116.94 121.46 1ls8 h PHE 12 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1ls8 h PHE 12 Cb 0.39 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.72 1ls8 h PHE 12 CO 0.00 0.22 0.00 0.41 -2.02 0.00 0.00 178.31 176.92 1ls8 n GLY 13 N -1.50 0.07 0.31 2.40 0.00 -1.26 -4.50 105.19 100.71 1ls8 n GLY 13 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.43 0.00 1.61 3.64 -1.70 -2.86 116.57 116.84 1ls8 h LYS 14 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1ls8 h LYS 14 Cb 0.09 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1ls8 h LYS 14 CO 0.00 -0.28 0.00 0.00 -2.27 0.00 0.00 179.45 176.90 1ls8 n ALA 15 N -2.70 2.35 -0.27 5.00 0.00 -0.18 -3.03 120.51 121.68 1ls8 n ALA 15 Ca -0.05 -0.14 0.05 0.00 0.00 0.00 0.00 53.44 53.29 1ls8 n ALA 15 Cb 0.31 -1.39 0.19 0.00 0.00 0.00 0.00 19.45 18.55 1ls8 n ALA 15 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ls8 h LEU 16 N 0.00 0.46 -1.38 0.00 -0.00 -1.73 -2.41 115.31 110.24 1ls8 h LEU 16 Ca 0.00 0.08 -0.04 0.00 -0.00 0.00 0.00 57.88 57.92 1ls8 h LEU 16 Cb 0.05 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 40.71 1ls8 h LEU 16 CO 0.00 0.22 -0.20 0.44 -0.00 0.00 0.00 178.44 178.89 1ls8 h ASP 17 N 0.58 0.00 0.01 -0.43 3.32 -1.73 0.26 116.42 118.43 1ls8 h ASP 17 Ca 0.41 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.46 1ls8 h ASP 17 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1ls8 h ASP 17 CO -0.34 0.20 -0.00 -0.33 -1.72 0.00 0.00 179.24 177.05 1ls8 h GLU 18 N 0.00 -0.01 -0.87 3.56 5.08 -1.66 -0.25 114.58 120.43 1ls8 h GLU 18 Ca -0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1ls8 h GLU 18 Cb 0.62 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 1ls8 h GLU 18 CO 0.03 0.62 0.57 0.00 -1.00 0.00 0.00 179.01 179.23 1ls8 h LYS 20 N 1.07 1.02 0.41 0.00 1.57 -0.50 -0.50 116.57 119.65 1ls8 h LYS 20 Ca 0.35 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1ls8 h LYS 20 Cb 0.05 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1ls8 h LYS 20 CO -0.11 0.96 -0.37 -0.22 -0.57 0.00 0.00 179.45 179.15 1ls8 h LYS 21 N 0.93 -0.74 -0.18 3.15 1.63 -0.25 -1.15 116.57 119.96 1ls8 h LYS 21 Ca 0.19 0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 60.02 1ls8 h LYS 21 Cb 0.44 0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.23 1ls8 h LYS 21 CO 0.01 -0.49 0.05 0.93 -3.45 0.00 0.00 179.45 176.50 1ls8 h GLU 22 N -0.76 0.25 -0.23 1.90 5.08 0.00 -2.07 114.58 118.75 1ls8 h GLU 22 Ca -0.05 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1ls8 h GLU 22 Cb 0.65 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1ls8 h GLU 22 CO -0.02 0.24 0.00 -1.33 -1.00 0.00 0.00 179.01 176.89 1ls8 n MET 23 N -4.43 2.04 -4.09 2.33 2.81 -0.23 -5.00 117.12 110.54 1ls8 n MET 23 Ca -0.00 -1.74 -0.44 0.00 -1.81 0.00 0.00 57.70 53.70 1ls8 n MET 23 Cb 0.14 -1.26 0.01 0.00 -0.71 0.00 0.00 33.22 31.40 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 0.58 -2.65 -2.07 2.03 -1.04 -0.74 -4.97 114.28 105.42 1ls8 n THR 24 Ca 0.10 -0.61 -0.28 0.00 -2.04 0.00 0.00 64.05 61.23 1ls8 n THR 24 Cb 0.38 -2.23 0.12 0.00 -1.82 0.00 0.00 70.33 66.78 1ls8 n THR 24 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1ls8 s LEU 25 N -7.42 2.72 0.51 -4.42 1.43 -0.51 -5.03 118.68 105.95 1ls8 s LEU 25 Ca 0.43 0.38 0.08 0.00 -1.03 0.00 0.00 54.13 53.99 1ls8 s LEU 25 Cb -0.23 -2.73 0.05 0.00 0.03 0.00 0.00 46.19 43.30 1ls8 s LEU 25 CO 0.97 -2.11 0.61 0.42 0.23 0.00 0.00 176.35 176.47 1ls8 s THR 26 N -3.55 2.29 -1.45 5.49 -4.23 -1.26 -4.89 115.64 108.03 1ls8 s THR 26 Ca 0.66 -1.15 0.16 0.00 -1.18 0.00 0.00 61.69 60.18 1ls8 s THR 26 Cb -0.08 -2.44 0.40 0.00 1.34 0.00 0.00 72.50 71.73 1ls8 s THR 26 CO 0.49 0.00 1.32 -0.67 -0.54 0.00 0.00 174.62 175.22 1ls8 n ASP 27 N -1.96 3.22 0.07 3.99 2.03 -1.26 -4.21 116.55 118.42 1ls8 n ASP 27 Ca 0.09 -1.96 0.12 0.00 0.52 0.00 0.00 54.79 53.56 1ls8 n ASP 27 Cb 0.62 -0.29 0.12 0.00 -0.72 0.00 0.00 41.12 40.84 1ls8 n ASP 27 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ls8 h ALA 28 N 2.99 0.55 0.00 -1.67 0.00 -2.02 -3.14 119.26 115.97 1ls8 h ALA 28 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ls8 h ALA 28 Cb 0.82 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1ls8 h ALA 28 CO 0.00 0.00 -0.01 -0.84 0.00 0.00 0.00 179.25 178.40 1ls8 h ILE 29 N 0.00 0.10 -0.13 0.00 3.07 -1.99 -1.43 117.51 117.12 1ls8 h ILE 29 Ca 0.00 -0.11 -0.02 0.00 1.55 0.00 0.00 64.86 66.28 1ls8 h ILE 29 Cb 0.81 1.10 -0.01 0.00 -0.27 0.00 0.00 36.82 38.45 1ls8 h ILE 29 CO 0.00 0.01 0.00 -1.13 -1.05 0.00 0.00 178.15 175.98 1ls8 h ASN 30 N 0.00 0.17 -0.04 2.16 -0.73 -1.85 -1.46 115.58 113.83 1ls8 h ASN 30 Ca -0.00 -0.02 -0.18 0.00 1.87 0.00 0.00 56.30 57.98 1ls8 h ASN 30 Cb 0.10 -0.04 0.01 0.00 0.27 0.00 0.00 38.32 38.66 1ls8 h ASN 30 CO 0.00 0.20 -0.67 -0.08 -0.37 0.00 0.00 177.43 176.52 1ls8 h GLU 31 N 0.19 0.52 -0.71 6.67 4.81 -1.49 -3.22 114.58 121.34 1ls8 h GLU 31 Ca 0.05 -0.51 0.02 0.00 -0.13 0.00 0.00 59.36 58.79 1ls8 h GLU 31 Cb 0.13 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1ls8 h GLU 31 CO 0.00 1.14 0.46 0.22 -0.73 0.00 0.00 179.01 180.10 1ls8 h ASP 32 N 0.09 0.77 -0.17 1.04 1.82 -1.01 -1.19 116.42 117.77 1ls8 h ASP 32 Ca -0.07 -0.01 -0.12 0.00 -0.39 0.00 0.00 57.03 56.44 1ls8 h ASP 32 Cb 1.35 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 41.17 1ls8 h ASP 32 CO 0.13 0.54 -0.29 -0.26 -1.61 0.00 0.00 179.24 177.75 1ls8 h PHE 33 N 0.91 0.76 -1.62 0.28 -1.00 -1.47 -3.40 116.94 111.40 1ls8 h PHE 33 Ca 0.27 -0.19 -0.44 0.00 2.81 0.00 0.00 57.97 60.43 1ls8 h PHE 33 Cb -0.04 -0.18 -0.04 0.00 3.61 0.00 0.00 35.95 39.31 1ls8 h PHE 33 CO -0.03 0.88 1.18 -0.47 -1.61 0.00 0.00 178.31 178.26 1ls8 s TYR 34 N -4.46 1.69 0.00 -0.55 5.04 -0.45 -4.45 117.35 114.17 1ls8 s TYR 34 Ca -0.08 0.75 0.00 0.00 -2.44 0.00 0.00 57.07 55.30 1ls8 s TYR 34 Cb 0.13 -4.07 0.00 0.00 0.35 0.00 0.00 41.96 38.37 1ls8 s TYR 34 CO 0.83 -2.15 0.00 0.27 -1.34 0.00 0.00 175.55 173.15 1ls8 n ASN 35 N 13.12 -5.87 -0.30 4.32 2.04 -1.26 -4.85 115.26 122.47 1ls8 n ASN 35 Ca 0.26 0.70 0.12 0.00 -0.44 0.00 0.00 54.58 55.22 1ls8 n ASN 35 Cb 0.51 -1.20 0.28 0.00 -2.53 0.00 0.00 39.78 36.84 1ls8 n ASN 35 CO 0.00 0.00 0.00 -0.26 -0.44 0.00 0.00 177.26 176.56 1ls8 h PHE 36 N 4.26 0.63 0.00 -2.53 -1.00 -1.78 -3.46 116.94 113.05 1ls8 h PHE 36 Ca 0.00 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.82 1ls8 h PHE 36 Cb 0.08 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.50 1ls8 h PHE 36 CO 0.00 -0.02 0.00 1.87 -1.61 0.00 0.00 178.31 178.55 1ls8 n TRP 37 N -5.03 0.00 -4.32 -0.55 -0.00 -1.26 -4.99 117.44 101.28 1ls8 n TRP 37 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.71 1ls8 n TRP 37 Cb 0.61 0.05 -0.00 0.00 -0.00 0.00 0.00 31.31 31.97 1ls8 n TRP 37 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1ls8 n LYS 38 N 13.25 -0.01 0.00 5.87 4.76 -1.26 -4.83 118.16 135.93 1ls8 n LYS 38 Ca 0.00 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1ls8 n LYS 38 Cb 0.00 -0.02 0.00 0.00 -1.84 0.00 0.00 35.03 33.17 1ls8 n LYS 38 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1ls8 n GLU 39 N -1.74 0.00 -2.73 1.97 0.28 -1.26 -4.99 120.64 112.16 1ls8 n GLU 39 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.96 1ls8 n GLU 39 Cb 0.00 -0.79 0.02 0.00 1.43 0.00 0.00 31.44 32.11 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 3.18 -0.83 2.80 -1.84 0.00 -1.26 -5.03 105.19 102.21 1ls8 n GLY 40 Ca 0.00 0.65 -0.28 0.00 0.00 0.00 0.00 46.02 46.39 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 0.83 1.41 -0.62 1.61 5.04 -1.26 -5.08 117.35 119.28 1ls8 s TYR 41 Ca 0.29 -1.08 -0.28 0.00 -2.44 0.00 0.00 57.07 53.56 1ls8 s TYR 41 Cb 0.07 -1.18 0.02 0.00 0.35 0.00 0.00 41.96 41.22 1ls8 s TYR 41 CO -0.09 -0.64 1.36 -2.00 -1.34 0.00 0.00 175.55 172.83 1ls8 s GLU 42 N 1.73 3.27 0.27 4.97 2.12 -1.26 -4.98 118.70 124.82 1ls8 s GLU 42 Ca -0.02 0.22 -0.29 0.00 0.36 0.00 0.00 54.97 55.24 1ls8 s GLU 42 Cb -0.17 -4.14 -0.14 0.00 0.26 0.00 0.00 34.13 29.94 1ls8 s GLU 42 CO -0.07 -2.00 1.04 -0.89 -0.54 0.00 0.00 175.26 172.79 1ls8 n ILE 43 N 6.71 1.79 0.24 -3.70 5.41 -1.26 -4.87 119.36 123.67 1ls8 n ILE 43 Ca 0.09 -0.45 0.07 0.00 1.00 0.00 0.00 62.75 63.47 1ls8 n ILE 43 Cb 0.49 -0.97 0.57 0.00 -0.71 0.00 0.00 39.64 39.02 1ls8 n ILE 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1ls8 h LYS 44 N 2.25 0.00 -6.90 0.38 3.11 -2.06 -3.44 116.57 109.91 1ls8 h LYS 44 Ca -0.40 0.00 -0.56 0.00 -2.81 0.00 0.00 60.65 56.88 1ls8 h LYS 44 Cb 1.34 0.00 0.13 0.00 -1.00 0.00 0.00 32.23 32.70 1ls8 h LYS 44 CO 0.62 0.16 0.55 0.09 -2.81 0.00 0.00 179.45 178.06 1ls8 n ASN 45 N -4.16 2.70 0.00 4.20 4.13 -1.26 -4.96 115.26 115.92 1ls8 n ASN 45 Ca -0.02 1.08 0.00 0.00 1.68 0.00 0.00 54.58 57.31 1ls8 n ASN 45 Cb 0.24 -1.54 0.00 0.00 -1.54 0.00 0.00 39.78 36.94 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 -0.23 2.47 0.21 3.52 5.12 -1.26 -4.65 116.66 121.84 1ls8 n ARG 46 Ca 0.07 0.00 0.15 0.00 -1.93 0.00 0.00 57.85 56.14 1ls8 n ARG 46 Cb 0.41 -0.94 0.75 0.00 -1.16 0.00 0.00 32.46 31.51 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 0.43 5.56 3.07 -1.96 -2.90 114.58 118.77 1ls8 h GLU 47 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1ls8 h GLU 47 Cb 0.89 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.80 1ls8 h GLU 47 CO 0.00 0.00 -0.23 1.15 -1.40 0.00 0.00 179.01 178.53 1ls8 h THR 48 N 0.00 0.52 -0.48 1.13 2.02 -1.96 -2.05 112.91 112.09 1ls8 h THR 48 Ca 0.00 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.32 1ls8 h THR 48 Cb 0.10 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1ls8 h THR 48 CO 0.00 0.00 0.36 1.23 0.37 0.00 0.00 175.52 177.48 1ls8 h GLY 49 N -0.61 0.00 0.67 2.16 0.00 -1.72 0.96 103.07 104.52 1ls8 h GLY 49 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1ls8 h GLY 49 CO 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.61 1ls8 h ALA 51 N 0.66 0.22 0.19 0.00 0.00 -0.58 -0.50 119.26 119.25 1ls8 h ALA 51 Ca 0.01 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1ls8 h ALA 51 Cb 0.37 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1ls8 h ALA 51 CO 0.00 -0.33 -0.41 0.82 0.00 0.00 0.00 179.25 179.33 1ls8 h ILE 52 N 0.19 0.18 -0.15 0.00 2.04 -0.80 -0.77 117.51 118.20 1ls8 h ILE 52 Ca 0.08 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.88 1ls8 h ILE 52 Cb 0.03 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1ls8 h ILE 52 CO -0.06 0.00 -0.16 -0.03 0.00 0.00 0.00 178.15 177.90 1ls8 h MET 53 N -0.68 0.25 -0.20 2.37 4.05 -0.90 0.20 114.93 120.01 1ls8 h MET 53 Ca 0.01 -0.06 0.01 0.00 -0.28 0.00 0.00 59.70 59.38 1ls8 h MET 53 Cb 0.68 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.44 1ls8 h MET 53 CO -0.20 0.41 0.11 0.00 0.23 0.00 0.00 176.91 177.47 1ls8 h LEU 55 N 0.23 -0.23 -1.42 0.00 3.38 -0.16 -1.01 115.31 116.10 1ls8 h LEU 55 Ca 0.08 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1ls8 h LEU 55 Cb 0.00 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1ls8 h LEU 55 CO -0.04 -0.16 0.43 0.28 0.09 0.00 0.00 178.44 179.03 1ls8 h SER 56 N -0.27 0.65 0.60 -0.43 0.02 -0.80 0.11 113.55 113.42 1ls8 h SER 56 Ca -0.03 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1ls8 h SER 56 Cb 0.21 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1ls8 h SER 56 CO 0.04 0.44 -0.31 0.74 -1.14 0.00 0.00 176.83 176.61 1ls8 h THR 57 N 0.75 0.37 -0.41 -2.27 2.02 -0.62 -0.41 112.91 112.34 1ls8 h THR 57 Ca 0.26 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.40 1ls8 h THR 57 Cb 0.11 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1ls8 h THR 57 CO -0.07 0.00 0.07 0.50 0.37 0.00 0.00 175.52 176.38 1ls8 h LYS 58 N -0.83 0.62 -0.02 6.66 1.63 -0.08 -1.79 116.57 122.77 1ls8 h LYS 58 Ca -0.08 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.60 1ls8 h LYS 58 Cb 0.65 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1ls8 h LYS 58 CO 0.12 0.60 0.00 1.28 -3.45 0.00 0.00 179.45 178.00 1ls8 n LEU 59 N -4.30 0.49 -1.85 5.20 4.77 0.27 -4.90 117.00 116.68 1ls8 n LEU 59 Ca 0.02 -0.17 -0.17 0.00 -0.03 0.00 0.00 56.01 55.66 1ls8 n LEU 59 Cb 0.22 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 1ls8 n LEU 59 CO 0.39 0.09 -0.19 0.59 -1.33 0.00 0.00 177.39 176.94 1ls8 n ASN 60 N -0.58 -4.78 0.17 -1.43 4.13 -0.67 -4.84 115.26 107.25 1ls8 n ASN 60 Ca 0.21 0.30 0.03 0.00 1.68 0.00 0.00 54.58 56.79 1ls8 n ASN 60 Cb 0.18 -4.19 0.39 0.00 -1.54 0.00 0.00 39.78 34.62 1ls8 n ASN 60 CO 0.00 0.00 0.00 -0.03 0.28 0.00 0.00 177.26 177.51 1ls8 h MET 61 N 0.00 0.07 -6.13 3.52 4.05 -1.34 -3.44 114.93 111.66 1ls8 h MET 61 Ca -0.38 -0.02 -0.54 0.00 -0.28 0.00 0.00 59.70 58.48 1ls8 h MET 61 Cb 1.20 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.95 1ls8 h MET 61 CO 0.51 0.35 -0.50 -0.51 0.23 0.00 0.00 176.91 176.99 1ls8 s LEU 62 N -8.42 4.11 0.96 3.39 1.43 -1.24 -0.88 118.68 118.03 1ls8 s LEU 62 Ca -0.04 0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 52.97 1ls8 s LEU 62 Cb 0.15 -2.68 0.16 0.00 0.03 0.00 0.00 46.19 43.85 1ls8 s LEU 62 CO 0.72 0.04 1.09 -1.81 0.23 0.00 0.00 176.35 176.62 1ls8 s ASP 63 N -3.32 2.86 0.00 2.29 1.01 0.10 -4.76 116.67 114.85 1ls8 s ASP 63 Ca 0.33 1.57 0.24 0.00 0.71 0.00 0.00 52.55 55.39 1ls8 s ASP 63 Cb -0.10 -2.23 1.37 0.00 1.01 0.00 0.00 42.92 42.97 1ls8 s ASP 63 CO 0.26 -3.04 1.79 -0.81 0.21 0.00 0.00 175.17 173.58 1ls8 n PRO 64 N -4.15 0.65 -0.07 8.23 -0.04 -1.26 -2.26 135.00 136.10 1ls8 n PRO 64 Ca 0.07 0.02 -0.19 0.00 -0.04 0.00 0.00 63.50 63.36 1ls8 n PRO 64 Cb 0.55 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.38 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 0.05 0.00 0.54 5.08 -2.03 -3.49 114.58 114.73 1ls8 h GLU 65 Ca 0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1ls8 h GLU 65 Cb 0.05 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1ls8 h GLU 65 CO 0.00 1.04 0.00 0.41 -1.00 0.00 0.00 179.01 179.46 1ls8 n GLY 66 N 1.56 0.74 3.73 -3.84 0.00 -0.96 -5.13 105.19 101.29 1ls8 n GLY 66 Ca -0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 1ls8 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ls8 n ASN 67 N 0.00 2.06 -4.83 1.61 3.02 -1.26 -4.79 115.26 111.07 1ls8 n ASN 67 Ca 0.00 0.83 -0.32 0.00 -0.03 0.00 0.00 54.58 55.06 1ls8 n ASN 67 Cb 0.00 -1.55 -0.02 0.00 -0.61 0.00 0.00 39.78 37.60 1ls8 n ASN 67 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1ls8 s LEU 68 N -4.24 3.61 -0.39 3.41 0.20 -1.26 -0.72 118.68 119.27 1ls8 s LEU 68 Ca 0.82 1.67 -0.11 0.00 0.69 0.00 0.00 54.13 57.20 1ls8 s LEU 68 Cb -0.38 -4.52 0.05 0.00 -0.43 0.00 0.00 46.19 40.90 1ls8 s LEU 68 CO 0.41 -0.77 0.23 -2.28 -0.29 0.00 0.00 176.35 173.65 1ls8 s HIS 69 N -2.53 3.27 0.06 5.38 5.65 -0.06 -4.63 115.29 122.44 1ls8 s HIS 69 Ca 0.61 -1.14 -0.18 0.00 0.25 0.00 0.00 55.06 54.60 1ls8 s HIS 69 Cb -0.12 -2.64 -0.07 0.00 -1.18 0.00 0.00 32.58 28.57 1ls8 s HIS 69 CO 0.32 -0.72 1.29 0.45 -0.65 0.00 0.00 174.74 175.42 1ls8 h HIS 70 N 8.45 -0.84 -0.48 3.88 -0.00 -1.96 -0.45 115.15 123.75 1ls8 h HIS 70 Ca -0.25 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.06 1ls8 h HIS 70 Cb 1.10 0.37 -0.02 0.00 -0.00 0.00 0.00 27.41 28.86 1ls8 h HIS 70 CO 0.59 -0.29 -0.07 0.78 -0.00 0.00 0.00 177.93 178.94 1ls8 h GLY 71 N -0.32 0.92 1.02 2.45 0.00 -1.97 -0.63 103.07 104.54 1ls8 h GLY 71 Ca 0.01 -0.68 -0.08 0.00 0.00 0.00 0.00 47.33 46.59 1ls8 h GLY 71 CO -0.22 0.62 0.01 -0.57 0.00 0.00 0.00 176.54 176.39 1ls8 h ASN 72 N 0.77 0.88 -0.49 0.19 -1.24 -1.87 -1.38 115.58 112.45 1ls8 h ASN 72 Ca 0.14 -0.30 -0.01 0.00 0.71 0.00 0.00 56.30 56.84 1ls8 h ASN 72 Cb 0.56 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.35 1ls8 h ASN 72 CO 0.03 0.96 0.28 0.00 -1.29 0.00 0.00 177.43 177.42 1ls8 h ALA 73 N 0.95 0.62 -0.98 1.57 0.00 -0.93 -2.91 119.26 117.58 1ls8 h ALA 73 Ca 0.15 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.12 1ls8 h ALA 73 Cb 0.50 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 1ls8 h ALA 73 CO 0.02 0.13 0.62 1.98 0.00 0.00 0.00 179.25 182.00 1ls8 h MET 74 N 0.65 0.87 -0.02 0.00 1.85 -0.66 -1.08 114.93 116.53 1ls8 h MET 74 Ca 0.17 -0.05 -0.03 0.00 -0.61 0.00 0.00 59.70 59.19 1ls8 h MET 74 Cb 0.02 -0.20 -0.00 0.00 0.43 0.00 0.00 31.60 31.85 1ls8 h MET 74 CO -0.03 0.57 -0.11 0.93 -0.40 0.00 0.00 176.91 177.87 1ls8 h GLU 75 N 0.89 0.02 -0.25 0.39 5.08 -1.05 0.58 114.58 120.24 1ls8 h GLU 75 Ca 0.50 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.79 1ls8 h GLU 75 Cb 0.60 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1ls8 h GLU 75 CO -0.27 0.14 -0.10 0.35 -1.00 0.00 0.00 179.01 178.13 1ls8 h PHE 76 N 0.02 0.58 -0.56 4.33 3.04 -1.24 -3.13 116.94 119.99 1ls8 h PHE 76 Ca 0.00 -0.14 -0.07 0.00 3.98 0.00 0.00 57.97 61.75 1ls8 h PHE 76 Cb 0.21 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 38.56 1ls8 h PHE 76 CO 0.00 0.75 0.08 0.00 -2.02 0.00 0.00 178.31 177.12 1ls8 h ALA 77 N 0.74 1.09 0.00 2.41 0.00 -1.05 -2.80 119.26 119.64 1ls8 h ALA 77 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ls8 h ALA 77 Cb 0.59 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ls8 h ALA 77 CO 0.03 0.59 0.00 1.57 0.00 0.00 0.00 179.25 181.44 1ls8 h LYS 78 N 0.85 0.00 -0.65 0.00 2.10 -0.91 -2.67 116.57 115.29 1ls8 h LYS 78 Ca 0.17 0.00 0.10 0.00 -2.00 0.00 0.00 60.65 58.92 1ls8 h LYS 78 Cb 0.40 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.65 1ls8 h LYS 78 CO 0.01 0.00 0.27 -0.22 -2.00 0.00 0.00 179.45 177.51 1ls8 h LYS 79 N 0.00 0.45 -0.01 0.07 1.63 -1.44 -1.39 116.57 115.88 1ls8 h LYS 79 Ca 0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1ls8 h LYS 79 Cb 0.26 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 1ls8 h LYS 79 CO 0.00 0.30 -0.50 1.58 -3.45 0.00 0.00 179.45 177.37 1ls8 n HIS 80 N -4.96 0.00 -1.40 1.91 -0.00 -1.24 -4.99 115.22 104.54 1ls8 n HIS 80 Ca 0.10 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.28 1ls8 n HIS 80 Cb 0.28 -0.05 0.00 0.00 -0.12 0.00 0.00 29.99 30.10 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 1.42 0.21 3.44 1.57 0.00 -0.52 -5.07 105.19 106.23 1ls8 n GLY 81 Ca 0.09 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 1ls8 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ls8 s ALA 82 N -2.93 -0.33 0.29 4.61 0.00 -1.01 -5.01 121.76 117.37 1ls8 s ALA 82 Ca 0.00 -0.58 -0.28 0.00 0.00 0.00 0.00 51.96 51.10 1ls8 s ALA 82 Cb 0.00 -3.05 -0.09 0.00 0.00 0.00 0.00 23.12 19.98 1ls8 s ALA 82 CO 0.00 -4.06 0.99 -0.51 0.00 0.00 0.00 175.76 172.18 1ls8 s ASP 83 N -3.08 7.37 0.05 0.00 1.01 -1.26 -4.96 116.67 115.79 1ls8 s ASP 83 Ca 0.69 2.01 -0.25 0.00 0.71 0.00 0.00 52.55 55.70 1ls8 s ASP 83 Cb -0.17 -2.60 -0.17 0.00 1.01 0.00 0.00 42.92 40.99 1ls8 s ASP 83 CO 0.60 -0.05 1.54 -0.08 0.21 0.00 0.00 175.17 177.39 1ls8 h GLU 84 N 3.61 -0.13 -0.45 8.23 4.81 -1.98 -0.31 114.58 128.35 1ls8 h GLU 84 Ca -0.46 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.75 1ls8 h GLU 84 Cb 1.20 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 1ls8 h GLU 84 CO 0.66 0.06 0.17 1.15 -0.73 0.00 0.00 179.01 180.32 1ls8 h THR 85 N -0.31 1.21 -0.56 0.32 2.02 -1.98 -0.88 112.91 112.73 1ls8 h THR 85 Ca -0.01 -0.68 -0.03 0.00 0.77 0.00 0.00 66.41 66.46 1ls8 h THR 85 Cb 0.25 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1ls8 h THR 85 CO 0.02 0.25 0.23 -0.03 0.37 0.00 0.00 175.52 176.36 1ls8 h MET 86 N 0.59 0.84 -0.83 6.66 1.85 -1.93 0.45 114.93 122.56 1ls8 h MET 86 Ca 0.15 -0.15 -0.02 0.00 -0.61 0.00 0.00 59.70 59.07 1ls8 h MET 86 Cb 0.22 -0.14 -0.04 0.00 0.43 0.00 0.00 31.60 32.07 1ls8 h MET 86 CO -0.01 0.72 0.45 0.00 -0.40 0.00 0.00 176.91 177.67 1ls8 h ALA 87 N 1.08 1.07 -0.23 0.39 0.00 -0.82 -1.54 119.26 119.20 1ls8 h ALA 87 Ca 0.19 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 1ls8 h ALA 87 Cb 0.19 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1ls8 h ALA 87 CO -0.02 0.58 -0.56 0.37 0.00 0.00 0.00 179.25 179.62 1ls8 h GLN 88 N 1.16 0.72 -0.08 0.00 5.75 -0.72 -2.91 115.11 119.02 1ls8 h GLN 88 Ca 0.29 -0.46 -0.00 0.00 -0.15 0.00 0.00 58.65 58.33 1ls8 h GLN 88 Cb 0.03 0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.64 1ls8 h GLN 88 CO -0.05 1.08 0.05 1.96 -2.65 0.00 0.00 178.83 179.22 1ls8 h GLN 89 N 0.55 0.11 0.00 1.69 1.08 -0.66 -0.50 115.11 117.37 1ls8 h GLN 89 Ca 0.01 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ls8 h GLN 89 Cb 1.14 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 1ls8 h GLN 89 CO 0.11 0.11 0.00 -0.07 -0.95 0.00 0.00 178.83 178.04 1ls8 h LEU 90 N 0.07 0.00 0.00 1.46 4.07 -1.23 0.16 115.31 119.84 1ls8 h LEU 90 Ca 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 1ls8 h LEU 90 Cb 0.03 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.77 1ls8 h LEU 90 CO -0.01 0.00 -0.03 0.40 -1.08 0.00 0.00 178.44 177.72 1ls8 h ILE 91 N 0.00 1.69 0.00 1.22 2.04 -1.28 -3.37 117.51 117.81 1ls8 h ILE 91 Ca 0.00 -2.28 -0.05 0.00 1.00 0.00 0.00 64.86 63.53 1ls8 h ILE 91 Cb 0.12 3.20 -0.01 0.00 -0.74 0.00 0.00 36.82 39.40 1ls8 h ILE 91 CO 0.00 0.57 -0.24 -0.78 0.00 0.00 0.00 178.15 177.71 1ls8 h ASP 92 N -1.00 0.00 -0.68 1.72 3.58 0.62 -0.65 116.42 120.01 1ls8 h ASP 92 Ca -0.01 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.47 1ls8 h ASP 92 Cb 0.96 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.97 1ls8 h ASP 92 CO -0.01 0.24 0.45 0.40 -2.88 0.00 0.00 179.24 177.44 1ls8 h ILE 93 N 0.00 1.13 0.38 2.25 2.04 -0.97 -0.44 117.51 121.89 1ls8 h ILE 93 Ca -0.00 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 1ls8 h ILE 93 Cb 0.45 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1ls8 h ILE 93 CO 0.03 0.16 -0.18 0.58 0.00 0.00 0.00 178.15 178.74 1ls8 h VAL 94 N 0.86 0.62 -0.39 1.67 2.07 -1.27 -0.12 116.25 119.69 1ls8 h VAL 94 Ca 0.27 -0.39 0.11 0.00 0.82 0.00 0.00 66.70 67.51 1ls8 h VAL 94 Cb 0.00 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1ls8 h VAL 94 CO -0.07 0.07 0.41 -0.74 0.02 0.00 0.00 177.57 177.26 1ls8 h HIS 95 N -0.73 0.00 0.03 1.57 -0.00 -1.39 0.93 115.15 115.56 1ls8 h HIS 95 Ca -0.05 0.00 -0.20 0.00 -0.00 0.00 0.00 60.37 60.12 1ls8 h HIS 95 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.90 1ls8 h HIS 95 CO 0.00 0.00 -1.06 0.78 -0.00 0.00 0.00 177.93 177.65 1ls8 h GLY 96 N 0.00 0.07 0.99 5.26 0.00 -0.94 -3.30 103.07 105.15 1ls8 h GLY 96 Ca 0.18 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 1ls8 h GLY 96 CO -0.00 0.15 0.12 0.00 0.00 0.00 0.00 176.54 176.81 1ls8 h GLU 98 N 0.73 0.32 -0.13 0.00 5.08 -1.06 0.19 114.58 119.71 1ls8 h GLU 98 Ca 0.16 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1ls8 h GLU 98 Cb 0.34 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1ls8 h GLU 98 CO 0.00 0.34 -0.19 -0.22 -1.00 0.00 0.00 179.01 177.94 1ls8 h LYS 99 N 0.32 0.22 0.09 2.33 3.11 -1.54 -3.10 116.57 117.99 1ls8 h LYS 99 Ca 0.08 -0.06 -0.32 0.00 -2.81 0.00 0.00 60.65 57.54 1ls8 h LYS 99 Cb 0.19 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.38 1ls8 h LYS 99 CO 0.00 0.41 -1.73 1.03 -2.81 0.00 0.00 179.45 176.35 1ls8 h SER 100 N 0.20 0.31 -2.80 4.20 0.87 -1.22 -3.47 113.55 111.64 1ls8 h SER 100 Ca 0.04 -0.82 -0.56 0.00 -1.23 0.00 0.00 61.79 59.21 1ls8 h SER 100 Cb 0.46 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 1ls8 h SER 100 CO 0.03 1.74 1.10 -0.89 -0.53 0.00 0.00 176.83 178.27 1ls8 s THR 101 N -2.50 3.76 0.00 2.23 2.01 0.60 -4.94 115.64 116.80 1ls8 s THR 101 Ca -0.24 0.86 0.00 0.00 0.31 0.00 0.00 61.69 62.63 1ls8 s THR 101 Cb 0.06 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.82 1ls8 s THR 101 CO 0.72 -0.29 0.43 -0.81 -0.69 0.00 0.00 174.62 173.98 1ls8 n PRO 102 N 7.54 0.00 -3.60 4.92 -0.04 -1.26 -4.79 135.00 137.76 1ls8 n PRO 102 Ca 0.18 0.25 -0.03 0.00 -0.04 0.00 0.00 63.50 63.86 1ls8 n PRO 102 Cb 0.45 -1.04 -0.01 0.00 -0.04 0.00 0.00 33.50 32.86 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 -2.93 -2.04 0.11 0.55 0.00 -1.26 -5.10 121.76 111.09 1ls8 s ALA 103 Ca 0.00 1.10 -0.16 0.00 0.00 0.00 0.00 51.96 52.90 1ls8 s ALA 103 Cb 0.00 0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.33 1ls8 s ALA 103 CO 0.00 -0.79 0.40 1.21 0.00 0.00 0.00 175.76 176.58 1ls8 s ASN 104 N -2.53 -0.24 0.35 0.00 3.84 -1.26 -4.92 114.94 110.17 1ls8 s ASN 104 Ca 0.10 -0.25 0.26 0.00 0.21 0.00 0.00 52.86 53.18 1ls8 s ASN 104 Cb 0.01 0.46 1.22 0.00 -0.55 0.00 0.00 41.25 42.39 1ls8 s ASN 104 CO -0.04 -0.81 1.79 0.44 -2.79 0.00 0.00 177.10 175.68 1ls8 h ASP 105 N 2.51 0.00 -3.26 -4.21 5.19 -2.03 -3.41 116.42 111.21 1ls8 h ASP 105 Ca -0.33 0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 55.58 1ls8 h ASP 105 Cb 1.24 0.00 -0.39 0.00 0.18 0.00 0.00 39.33 40.36 1ls8 h ASP 105 CO 0.46 0.00 -0.77 -0.62 -3.12 0.00 0.00 179.24 175.20 1ls8 s ASP 106 N -4.44 2.47 0.65 6.45 -1.08 -1.26 -5.02 116.67 114.44 1ls8 s ASP 106 Ca 0.01 -0.57 0.40 0.00 -0.52 0.00 0.00 52.55 51.87 1ls8 s ASP 106 Cb 0.09 -0.57 2.25 0.00 -1.46 0.00 0.00 42.92 43.22 1ls8 s ASP 106 CO 0.35 -0.26 2.32 0.11 0.52 0.00 0.00 175.17 178.21 1ls8 h LYS 107 N 8.26 0.00 -0.24 4.34 1.57 -1.98 0.48 116.57 129.00 1ls8 h LYS 107 Ca -0.18 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.55 1ls8 h LYS 107 Cb 1.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 1ls8 h LYS 107 CO 0.32 0.00 -0.05 0.00 -0.57 0.00 0.00 179.45 179.15 1ls8 h ILE 109 N 0.19 1.27 -0.03 0.00 5.03 -1.47 0.35 117.51 122.85 1ls8 h ILE 109 Ca 0.06 -1.28 0.03 0.00 -0.12 0.00 0.00 64.86 63.55 1ls8 h ILE 109 Cb 0.50 1.08 -0.04 0.00 -3.03 0.00 0.00 36.82 35.33 1ls8 h ILE 109 CO 0.02 0.44 -0.17 -0.25 -0.68 0.00 0.00 178.15 177.51 1ls8 h TRP 110 N 0.78 -0.44 0.02 1.37 7.01 -0.81 -2.65 115.95 121.22 1ls8 h TRP 110 Ca 0.12 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.16 1ls8 h TRP 110 Cb 0.69 0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.92 1ls8 h TRP 110 CO 0.04 -0.25 -0.16 1.15 -2.79 0.00 0.00 178.44 176.43 1ls8 h THR 111 N -0.27 0.61 -0.98 2.65 2.02 -0.83 -3.20 112.91 112.91 1ls8 h THR 111 Ca 0.06 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.38 1ls8 h THR 111 Cb 0.35 0.61 -0.09 0.00 -1.74 0.00 0.00 68.15 67.28 1ls8 h THR 111 CO -0.18 0.00 0.62 -0.07 0.37 0.00 0.00 175.52 176.25 1ls8 h LEU 112 N -0.27 0.84 0.40 2.58 3.38 -0.57 0.39 115.31 122.07 1ls8 h LEU 112 Ca 0.05 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1ls8 h LEU 112 Cb 0.33 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1ls8 h LEU 112 CO -0.14 0.42 -0.39 1.23 0.09 0.00 0.00 178.44 179.64 1ls8 h GLY 113 N 0.89 -0.94 0.74 0.83 0.00 -1.52 -0.28 103.07 102.78 1ls8 h GLY 113 Ca 0.50 0.45 0.06 0.00 0.00 0.00 0.00 47.33 48.35 1ls8 h GLY 113 CO -0.28 -0.32 0.52 -2.08 0.00 0.00 0.00 176.54 174.38 1ls8 h VAL 114 N -0.81 1.05 -0.49 4.60 2.07 -1.27 -0.47 116.25 120.92 1ls8 h VAL 114 Ca -0.03 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 1ls8 h VAL 114 Cb 0.72 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1ls8 h VAL 114 CO -0.06 0.17 0.01 0.00 0.02 0.00 0.00 177.57 177.71 1ls8 h ALA 115 N 1.39 1.09 0.19 1.67 0.00 0.04 0.02 119.26 123.66 1ls8 h ALA 115 Ca 0.36 -0.26 -0.29 0.00 0.00 0.00 0.00 54.91 54.72 1ls8 h ALA 115 Cb 0.15 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 17.77 1ls8 h ALA 115 CO -0.17 0.58 -1.33 1.15 0.00 0.00 0.00 179.25 179.48 1ls8 h THR 116 N 0.76 1.25 -0.61 0.00 2.02 -0.81 -3.24 112.91 112.29 1ls8 h THR 116 Ca 0.15 -2.58 0.07 0.00 0.77 0.00 0.00 66.41 64.82 1ls8 h THR 116 Cb 0.45 3.00 -0.04 0.00 -1.74 0.00 0.00 68.15 69.82 1ls8 h THR 116 CO 0.02 0.78 0.40 0.00 0.37 0.00 0.00 175.52 177.09 1ls8 h PHE 118 N 0.56 -1.02 0.00 0.00 3.04 -1.06 0.28 116.94 118.74 1ls8 h PHE 118 Ca 0.27 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.19 1ls8 h PHE 118 Cb 0.33 0.38 -0.00 0.00 2.56 0.00 0.00 35.95 39.21 1ls8 h PHE 118 CO -0.00 -0.56 -0.12 0.87 -2.02 0.00 0.00 178.31 176.47 1ls8 h LYS 119 N -0.89 0.00 0.10 1.11 1.79 -1.37 -1.90 116.57 115.41 1ls8 h LYS 119 Ca -0.06 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1ls8 h LYS 119 Cb 0.74 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 1ls8 h LYS 119 CO 0.02 0.12 -0.05 0.00 -1.08 0.00 0.00 179.45 178.47 1ls8 h ALA 120 N 1.88 -0.13 -0.35 3.86 0.00 -0.72 -2.67 119.26 121.12 1ls8 h ALA 120 Ca -0.00 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1ls8 h ALA 120 Cb 0.25 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1ls8 h ALA 120 CO 0.02 -0.38 0.12 0.93 0.00 0.00 0.00 179.25 179.93 1ls8 h GLU 121 N -0.52 0.26 -0.65 0.00 4.39 -0.58 -0.67 114.58 116.81 1ls8 h GLU 121 Ca -0.01 -0.02 0.14 0.00 0.34 0.00 0.00 59.36 59.81 1ls8 h GLU 121 Cb 0.43 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.98 1ls8 h GLU 121 CO 0.02 0.17 0.44 0.82 -1.16 0.00 0.00 179.01 179.31 1ls8 h ILE 122 N 0.27 0.80 0.19 3.13 5.03 -1.39 0.16 117.51 125.70 1ls8 h ILE 122 Ca 0.16 -0.10 -0.01 0.00 -0.12 0.00 0.00 64.86 64.80 1ls8 h ILE 122 Cb 0.14 0.49 0.00 0.00 -3.03 0.00 0.00 36.82 34.42 1ls8 h ILE 122 CO -0.17 0.05 -0.09 -0.74 -0.68 0.00 0.00 178.15 176.52 1ls8 h HIS 123 N 0.28 -0.24 0.00 1.37 2.76 -0.80 0.20 115.15 118.71 1ls8 h HIS 123 Ca 0.31 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.45 1ls8 h HIS 123 Cb 0.84 0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.88 1ls8 h HIS 123 CO -0.00 0.03 -0.15 1.57 -1.30 0.00 0.00 177.93 178.09 1ls8 h LYS 124 N -1.01 0.00 0.00 5.26 5.09 -1.01 -0.25 116.57 124.64 1ls8 h LYS 124 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.71 1ls8 h LYS 124 Cb 0.39 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.72 1ls8 h LYS 124 CO 0.04 0.15 0.00 1.28 -2.09 0.00 0.00 179.45 178.83 1ls8 n LEU 125 N -4.14 0.00 -3.30 7.07 4.77 0.54 -4.86 117.00 117.08 1ls8 n LEU 125 Ca -0.02 0.21 -0.23 0.00 -0.03 0.00 0.00 56.01 55.94 1ls8 n LEU 125 Cb 0.22 -0.21 0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1ls8 n LEU 125 CO 0.34 -0.16 0.11 -3.20 -1.33 0.00 0.00 177.39 173.16 1ls8 n ASN 126 N -1.21 -6.25 -1.71 -1.43 5.15 -0.11 -4.94 115.26 104.76 1ls8 n ASN 126 Ca 0.05 -0.41 -0.18 0.00 -0.60 0.00 0.00 54.58 53.44 1ls8 n ASN 126 Cb 0.06 -4.98 0.09 0.00 -0.53 0.00 0.00 39.78 34.42 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 -4.75 2.13 -2.71 1.20 8.01 0.05 -4.75 117.44 116.63 1ls8 n TRP 127 Ca -0.06 -2.13 -0.06 0.00 -1.31 0.00 0.00 57.50 53.94 1ls8 n TRP 127 Cb 0.59 -0.55 0.08 0.00 -2.01 0.00 0.00 31.31 29.43 1ls8 n TRP 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1ls8 n ALA 128 N -0.89 -2.02 -0.01 6.99 0.00 -1.24 -4.83 120.51 118.52 1ls8 n ALA 128 Ca 0.42 -0.98 -0.01 0.00 0.00 0.00 0.00 53.44 52.87 1ls8 n ALA 128 Cb 0.91 -2.06 -0.00 0.00 0.00 0.00 0.00 19.45 18.29 1ls8 n ALA 128 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ls8 h PRO 129 N 3.05 -0.05 0.00 0.00 0.13 -1.94 -3.45 132.00 129.74 1ls8 h PRO 129 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1ls8 h PRO 129 Cb 1.13 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1ls8 h PRO 129 CO 0.08 -0.03 -0.03 -1.13 -0.23 0.00 0.00 178.00 176.66 1ls8 n SER 130 N -3.57 0.00 0.18 1.44 3.41 -1.26 -4.98 113.62 108.84 1ls8 n SER 130 Ca -0.01 -1.06 0.04 0.00 -0.26 0.00 0.00 58.87 57.58 1ls8 n SER 130 Cb 0.02 -0.01 0.46 0.00 -0.26 0.00 0.00 64.21 64.42 1ls8 n SER 130 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ls8 h MET 131 N 0.00 0.10 0.00 4.33 -0.00 -2.01 -3.49 114.93 113.87 1ls8 h MET 131 Ca 0.00 -0.02 0.05 0.00 -0.00 0.00 0.00 59.70 59.73 1ls8 h MET 131 Cb 1.03 -0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 32.60 1ls8 h MET 131 CO 0.00 0.25 -0.07 -0.25 -0.00 0.00 0.00 176.91 176.85 1ls8 n ASP 132 N -4.32 -3.75 -3.36 -0.10 8.00 -1.26 -4.96 116.55 106.80 1ls8 n ASP 132 Ca -0.02 0.20 -0.30 0.00 0.71 0.00 0.00 54.79 55.38 1ls8 n ASP 132 Cb 0.24 -0.60 0.02 0.00 -0.02 0.00 0.00 41.12 40.76 1ls8 n ASP 132 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1ls8 n VAL 133 N -1.47 -3.14 -0.11 2.53 0.31 -1.26 -4.95 118.33 110.24 1ls8 n VAL 133 Ca 0.00 0.04 -0.15 0.00 -0.01 0.00 0.00 64.34 64.22 1ls8 n VAL 133 Cb 0.08 -2.85 -0.11 0.00 -0.91 0.00 0.00 33.84 30.06 1ls8 n VAL 133 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ls8 n ALA 134 N -0.95 1.52 -3.35 3.52 0.00 -1.26 -4.95 120.51 115.05 1ls8 n ALA 134 Ca -0.15 -0.99 -0.04 0.00 0.00 0.00 0.00 53.44 52.26 1ls8 n ALA 134 Cb 0.60 -0.04 -0.05 0.00 0.00 0.00 0.00 19.45 19.96 1ls8 n ALA 134 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ls8 s VAL 135 N -2.45 -0.79 -5.00 0.00 1.01 -1.26 -4.51 120.40 107.40 1ls8 s VAL 135 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1ls8 s VAL 135 Cb 0.07 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.58 1ls8 s VAL 135 CO 0.55 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1ls8 n GLY 136 N 5.40 0.68 2.65 4.51 0.00 -1.26 -3.42 105.19 113.74 1ls8 n GLY 136 Ca -0.04 -1.68 -0.08 0.00 0.00 0.00 0.00 46.02 44.22 1ls8 n GLY 136 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ls8 n GLU 137 N 0.00 0.70 -4.02 1.61 0.28 -1.26 -5.11 120.64 112.84 1ls8 n GLU 137 Ca 0.00 -1.82 -0.31 0.00 -0.16 0.00 0.00 57.16 54.87 1ls8 n GLU 137 Cb 0.00 2.02 -0.16 0.00 1.43 0.00 0.00 31.44 34.74 1ls8 n GLU 137 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1ls8 s ILE 138 N -2.50 1.76 -0.42 3.84 1.01 -1.26 -5.04 121.20 118.59 1ls8 s ILE 138 Ca 0.16 -1.05 0.07 0.00 0.00 0.00 0.00 60.65 59.83 1ls8 s ILE 138 Cb -0.02 -1.79 0.25 0.00 0.01 0.00 0.00 42.46 40.90 1ls8 s ILE 138 CO 0.12 0.22 0.66 -0.11 0.00 0.00 0.00 174.94 175.83 1ls8 n LEU 139 N 4.65 -0.91 -2.96 2.97 0.00 -1.26 -4.96 117.00 114.54 1ls8 n LEU 139 Ca -0.16 -4.21 -0.02 0.00 0.00 0.00 0.00 56.01 51.62 1ls8 n LEU 139 Cb 0.47 0.72 0.00 0.00 0.00 0.00 0.00 43.42 44.60 1ls8 n LEU 139 CO 0.21 2.05 -0.46 0.00 0.00 0.00 0.00 177.39 179.19 1ls8 n ALA 140 N 1.45 -2.80 -1.77 1.96 0.00 -1.26 -4.88 120.51 113.20 1ls8 n ALA 140 Ca 0.17 0.32 -0.42 0.00 0.00 0.00 0.00 53.44 53.50 1ls8 n ALA 140 Cb 0.57 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 1ls8 n ALA 140 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1ls8 s GLU 141 N -1.45 3.89 0.00 0.00 1.03 -1.26 -5.27 118.70 115.63 1ls8 s GLU 141 Ca 0.03 2.29 0.00 0.00 0.03 0.00 0.00 54.97 57.32 1ls8 s GLU 141 Cb -0.01 -4.16 0.00 0.00 -0.80 0.00 0.00 34.13 29.16 1ls8 s GLU 141 CO 0.46 -1.22 0.00 1.33 -1.33 0.00 0.00 175.26 174.50