#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h67 h PRO 28 N 0.00 0.53 -7.12 0.03 0.13 -2.03 -3.44 132.00 120.09 1h67 h PRO 28 Ca 0.00 -0.18 -0.55 0.00 -0.87 0.00 0.00 66.00 64.40 1h67 h PRO 28 Cb 0.00 -0.04 0.15 0.00 0.13 0.00 0.00 31.00 31.24 1h67 h PRO 28 CO 0.00 0.70 0.49 -0.65 -0.23 0.00 0.00 178.00 178.31 1h67 s GLN 29 N -4.88 2.50 0.00 0.86 -1.52 -1.26 -4.88 119.66 110.48 1h67 s GLN 29 Ca -0.13 1.99 0.00 0.00 -1.95 0.00 0.00 55.36 55.27 1h67 s GLN 29 Cb 0.08 -1.85 0.00 0.00 -0.22 0.00 0.00 33.01 31.02 1h67 s GLN 29 CO 0.77 -1.62 0.00 -2.37 -0.25 0.00 0.00 175.29 171.82 1h67 n THR 30 N -2.04 0.00 0.00 -0.19 5.66 -1.26 -5.03 114.28 111.42 1h67 n THR 30 Ca 0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.15 1h67 n THR 30 Cb 0.49 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 1h67 n THR 30 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1h67 n GLU 31 N -1.83 0.00 0.01 1.09 4.07 -1.26 -4.99 120.64 117.73 1h67 n GLU 31 Ca 0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.00 1h67 n GLU 31 Cb 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.31 1h67 n GLU 31 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 1h67 h ARG 32 N 0.00 -0.13 0.00 5.31 9.65 -1.96 -3.31 114.38 123.93 1h67 h ARG 32 Ca 0.00 0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.85 1h67 h ARG 32 Cb 0.00 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 1h67 h ARG 32 CO 0.00 0.34 -0.18 1.96 2.80 0.00 0.00 179.97 184.88 1h67 h GLN 33 N -0.91 0.00 -0.79 0.20 1.08 -1.95 -2.85 115.11 109.88 1h67 h GLN 33 Ca -0.01 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.31 1h67 h GLN 33 Cb 0.53 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.88 1h67 h GLN 33 CO 0.02 0.18 0.39 -0.07 -0.95 0.00 0.00 178.83 178.41 1h67 h LEU 34 N 0.00 0.48 0.59 1.46 3.38 -1.95 0.98 115.31 120.26 1h67 h LEU 34 Ca -0.00 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1h67 h LEU 34 Cb 0.32 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.08 1h67 h LEU 34 CO 0.02 0.23 -0.28 -0.09 0.09 0.00 0.00 178.44 178.41 1h67 h ARG 35 N 0.61 -0.77 -0.62 1.13 2.43 -1.61 -2.88 114.38 112.68 1h67 h ARG 35 Ca 0.41 0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.67 1h67 h ARG 35 Cb 0.53 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 1h67 h ARG 35 CO -0.33 -0.46 0.41 0.28 -1.51 0.00 0.00 179.97 178.37 1h67 h VAL 36 N -1.00 1.06 0.00 0.20 2.07 -1.58 -1.16 116.25 115.85 1h67 h VAL 36 Ca -0.08 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1h67 h VAL 36 Cb 0.66 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1h67 h VAL 36 CO 0.13 0.13 0.00 1.87 0.02 0.00 0.00 177.57 179.72 1h67 n TRP 37 N -4.47 0.00 0.05 1.57 -0.00 0.32 -0.47 117.44 114.44 1h67 n TRP 37 Ca 0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.45 1h67 n TRP 37 Cb 0.16 -0.34 -0.08 0.00 -0.00 0.00 0.00 31.31 31.04 1h67 n TRP 37 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 1h67 h ILE 38 N 0.00 1.08 -0.55 5.87 2.04 -1.55 0.44 117.51 124.84 1h67 h ILE 38 Ca 0.00 -0.55 0.02 0.00 1.00 0.00 0.00 64.86 65.33 1h67 h ILE 38 Cb 0.00 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1h67 h ILE 38 CO 0.00 0.14 0.34 -0.33 0.00 0.00 0.00 178.15 178.30 1h67 h GLU 39 N -0.35 0.66 -0.05 2.37 3.07 -1.36 -2.16 114.58 116.76 1h67 h GLU 39 Ca -0.01 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.72 1h67 h GLU 39 Cb 0.30 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1h67 h GLU 39 CO 0.02 0.44 -0.39 0.78 -1.40 0.00 0.00 179.01 178.46 1h67 h GLY 40 N 0.68 0.11 -0.06 -3.84 0.00 -0.75 0.28 103.07 99.51 1h67 h GLY 40 Ca 0.22 -0.10 0.07 0.00 0.00 0.00 0.00 47.33 47.51 1h67 h GLY 40 CO -0.08 0.09 -0.34 0.00 0.00 0.00 0.00 176.54 176.21 1h67 h ALA 41 N 1.52 -0.29 0.00 3.60 0.00 -0.21 -3.34 119.26 120.53 1h67 h ALA 41 Ca 0.01 0.07 -0.38 0.00 0.00 0.00 0.00 54.91 54.60 1h67 h ALA 41 Cb 0.73 0.69 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 1h67 h ALA 41 CO 0.05 -0.77 -2.26 0.25 0.00 0.00 0.00 179.25 176.52 1h67 n THR 42 N -5.41 1.39 0.00 0.00 -2.24 -1.22 -5.05 114.28 101.75 1h67 n THR 42 Ca -0.01 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1h67 n THR 42 Cb 0.34 -1.89 0.00 0.00 -2.10 0.00 0.00 70.33 66.68 1h67 n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h67 n GLY 43 N 1.44 0.86 2.96 3.38 0.00 0.97 -5.13 105.19 109.67 1h67 n GLY 43 Ca -0.46 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 1h67 n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h67 s ARG 44 N 0.00 1.36 -0.02 1.61 1.81 -0.99 -5.03 118.95 117.69 1h67 s ARG 44 Ca 0.00 -0.28 -0.26 0.00 -1.72 0.00 0.00 55.73 53.47 1h67 s ARG 44 Cb 0.00 -1.21 -0.04 0.00 -0.45 0.00 0.00 34.95 33.25 1h67 s ARG 44 CO 0.00 -0.04 0.80 1.03 -0.68 0.00 0.00 175.30 176.41 1h67 s ARG 45 N 0.86 4.49 0.04 3.54 1.81 -1.26 -4.39 118.95 124.04 1h67 s ARG 45 Ca -0.11 1.08 -0.29 0.00 -1.72 0.00 0.00 55.73 54.69 1h67 s ARG 45 Cb -0.15 -3.43 -0.17 0.00 -0.45 0.00 0.00 34.95 30.75 1h67 s ARG 45 CO 0.01 0.09 1.37 0.82 -0.68 0.00 0.00 175.30 176.91 1h67 h ILE 46 N 4.61 0.38 0.00 1.52 2.04 -1.97 -3.50 117.51 120.59 1h67 h ILE 46 Ca -0.42 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1h67 h ILE 46 Cb 1.21 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1h67 h ILE 46 CO 0.74 0.04 0.00 0.61 0.00 0.00 0.00 178.15 179.54 1h67 n GLY 47 N -0.88 -0.33 0.08 5.37 0.00 -1.26 -4.89 105.19 103.29 1h67 n GLY 47 Ca -0.12 -0.76 -0.16 0.00 0.00 0.00 0.00 46.02 44.98 1h67 n GLY 47 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1h67 h ASP 48 N 0.00 0.00 0.00 1.61 5.19 -2.03 -3.47 116.42 117.73 1h67 h ASP 48 Ca 0.00 -0.67 0.00 0.00 -0.62 0.00 0.00 57.03 55.74 1h67 h ASP 48 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1h67 h ASP 48 CO 0.00 1.18 0.00 0.59 -3.12 0.00 0.00 179.24 177.89 1h67 n ASN 49 N -4.54 0.00 0.02 6.45 3.02 -1.26 -5.07 115.26 113.88 1h67 n ASN 49 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 1h67 n ASN 49 Cb 0.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 1h67 n ASN 49 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1h67 n PHE 50 N 0.00 -1.71 -0.04 3.10 7.35 -1.26 -4.91 117.46 120.00 1h67 n PHE 50 Ca 0.00 0.12 -0.14 0.00 -0.76 0.00 0.00 57.45 56.67 1h67 n PHE 50 Cb 0.00 0.56 -0.11 0.00 0.35 0.00 0.00 39.48 40.28 1h67 n PHE 50 CO 0.00 0.00 0.00 0.52 -0.76 0.00 0.00 176.76 176.52 1h67 h MET 51 N 0.00 0.03 -0.29 -4.13 0.00 -1.99 -3.18 114.93 105.37 1h67 h MET 51 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 59.70 59.63 1h67 h MET 51 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 31.60 31.59 1h67 h MET 51 CO 0.00 0.74 0.01 0.22 0.00 0.00 0.00 176.91 177.89 1h67 h ASP 52 N -0.67 0.40 -0.82 1.22 1.82 -1.93 -2.80 116.42 113.64 1h67 h ASP 52 Ca -0.00 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.58 1h67 h ASP 52 Cb 0.75 -0.10 -0.04 0.00 0.68 0.00 0.00 39.33 40.62 1h67 h ASP 52 CO 0.01 0.46 0.52 1.23 -1.61 0.00 0.00 179.24 179.85 1h67 h GLY 53 N 0.74 1.16 2.00 -0.78 0.00 -1.90 -2.23 103.07 102.06 1h67 h GLY 53 Ca 0.10 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1h67 h GLY 53 CO 0.01 0.44 -0.06 1.41 0.00 0.00 0.00 176.54 178.34 1h67 h LEU 54 N 1.11 0.00 -0.80 3.11 3.38 -1.47 -3.03 115.31 117.61 1h67 h LEU 54 Ca 0.30 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.44 1h67 h LEU 54 Cb -0.10 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.54 1h67 h LEU 54 CO -0.06 0.06 0.28 0.11 0.09 0.00 0.00 178.44 178.92 1h67 h LYS 55 N 0.00 0.35 -0.73 1.13 1.57 -1.43 -0.69 116.57 116.76 1h67 h LYS 55 Ca -0.00 -0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.88 1h67 h LYS 55 Cb 0.11 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.29 1h67 h LYS 55 CO 0.01 0.23 0.49 0.38 -0.57 0.00 0.00 179.45 179.99 1h67 h ASP 56 N 0.36 0.46 -5.00 0.86 3.04 -1.68 -3.45 116.42 111.01 1h67 h ASP 56 Ca 0.47 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 54.28 1h67 h ASP 56 Cb 0.81 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 39.03 1h67 h ASP 56 CO -0.49 0.26 -0.41 0.61 -2.04 0.00 0.00 179.24 177.16 1h67 n GLY 57 N -1.50 -1.24 2.05 7.15 0.00 -0.27 -4.29 105.19 107.10 1h67 n GLY 57 Ca 0.13 1.06 0.00 0.00 0.00 0.00 0.00 46.02 47.21 1h67 n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1h67 n VAL 58 N -0.41 0.00 -0.11 1.61 0.31 -1.26 -4.69 118.33 113.78 1h67 n VAL 58 Ca 0.10 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.30 1h67 n VAL 58 Cb 0.41 -0.36 -0.03 0.00 -0.91 0.00 0.00 33.84 32.95 1h67 n VAL 58 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1h67 h ILE 59 N 0.00 1.29 -0.53 2.52 2.04 -1.95 -2.08 117.51 118.80 1h67 h ILE 59 Ca 0.00 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.43 1h67 h ILE 59 Cb 0.00 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 1h67 h ILE 59 CO 0.00 0.47 0.34 -0.07 0.00 0.00 0.00 178.15 178.89 1h67 h LEU 60 N 0.56 0.62 -0.98 1.44 3.38 -1.93 0.36 115.31 118.75 1h67 h LEU 60 Ca 0.06 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.09 1h67 h LEU 60 Cb 0.84 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.37 1h67 h LEU 60 CO 0.07 0.46 0.62 0.00 0.09 0.00 0.00 178.44 179.68 1h67 h GLU 62 N 1.07 0.84 0.55 0.00 4.39 -0.48 -0.95 114.58 119.99 1h67 h GLU 62 Ca 0.45 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.92 1h67 h GLU 62 Cb 0.30 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1h67 h GLU 62 CO -0.21 0.79 -0.30 1.25 -1.16 0.00 0.00 179.01 179.39 1h67 h LEU 63 N 0.80 -0.72 -1.68 1.33 5.85 0.94 -2.57 115.31 119.25 1h67 h LEU 63 Ca 0.17 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.93 1h67 h LEU 63 Cb 0.37 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1h67 h LEU 63 CO 0.01 -0.48 0.22 -0.29 -0.34 0.00 0.00 178.44 177.56 1h67 h ILE 64 N -0.78 1.07 -0.51 4.05 6.09 -1.49 -0.54 117.51 125.40 1h67 h ILE 64 Ca -0.07 -0.15 0.14 0.00 -1.37 0.00 0.00 64.86 63.41 1h67 h ILE 64 Cb 0.61 0.60 -0.02 0.00 0.47 0.00 0.00 36.82 38.48 1h67 h ILE 64 CO 0.10 0.08 0.36 -1.13 -3.07 0.00 0.00 178.15 174.50 1h67 h ASN 65 N 0.43 0.04 0.00 2.19 -0.73 -0.96 0.56 115.58 117.11 1h67 h ASN 65 Ca 0.13 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.27 1h67 h ASN 65 Cb -0.01 -0.01 -0.00 0.00 0.27 0.00 0.00 38.32 38.57 1h67 h ASN 65 CO -0.03 0.02 -0.15 0.11 -0.37 0.00 0.00 177.43 177.01 1h67 h LYS 66 N 0.04 0.00 0.80 6.67 1.79 -0.70 -3.39 116.57 121.78 1h67 h LYS 66 Ca 0.24 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.67 1h67 h LYS 66 Cb 0.91 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.57 1h67 h LYS 66 CO -0.01 0.88 -0.38 -0.07 -1.08 0.00 0.00 179.45 178.78 1h67 h LEU 67 N -1.00 -0.91 -8.69 2.94 3.38 -1.08 -3.41 115.31 106.55 1h67 h LEU 67 Ca -0.04 0.03 -0.68 0.00 0.09 0.00 0.00 57.88 57.28 1h67 h LEU 67 Cb 0.92 0.23 -0.18 0.00 0.09 0.00 0.00 40.66 41.72 1h67 h LEU 67 CO -0.02 -0.54 -0.37 -1.58 0.09 0.00 0.00 178.44 176.01 1h67 s GLN 68 N -5.03 3.43 0.08 1.13 0.74 0.19 -5.04 119.66 115.16 1h67 s GLN 68 Ca -0.16 -0.60 -0.36 0.00 0.05 0.00 0.00 55.36 54.30 1h67 s GLN 68 Cb 0.02 -3.84 -0.15 0.00 1.10 0.00 0.00 33.01 30.14 1h67 s GLN 68 CO 0.47 -0.54 1.51 -2.30 -0.55 0.00 0.00 175.29 173.87 1h67 n PRO 69 N 5.26 1.65 -3.87 1.67 -0.02 -1.26 -2.65 135.00 135.78 1h67 n PRO 69 Ca -0.11 0.60 -0.24 0.00 -2.02 0.00 0.00 63.50 61.73 1h67 n PRO 69 Cb 0.49 -2.31 -0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1h67 n PRO 69 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h67 n GLY 70 N 3.15 -0.24 0.23 -1.23 0.00 -1.26 -4.92 105.19 100.92 1h67 n GLY 70 Ca 0.19 0.14 -0.11 0.00 0.00 0.00 0.00 46.02 46.24 1h67 n GLY 70 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1h67 h SER 71 N -1.85 -0.43 -3.00 1.61 0.02 -1.78 -3.44 113.55 104.69 1h67 h SER 71 Ca -0.62 -0.11 -0.61 0.00 -0.84 0.00 0.00 61.79 59.60 1h67 h SER 71 Cb 1.37 0.11 -0.06 0.00 0.14 0.00 0.00 62.40 63.96 1h67 h SER 71 CO 0.60 0.02 -0.24 -0.69 -1.14 0.00 0.00 176.83 175.38 1h67 s VAL 72 N -3.77 5.11 0.14 2.27 1.01 -1.26 -4.84 120.40 119.05 1h67 s VAL 72 Ca -0.11 0.75 -0.18 0.00 0.00 0.00 0.00 61.98 62.44 1h67 s VAL 72 Cb 0.01 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1h67 s VAL 72 CO 0.38 0.56 1.75 1.56 0.00 0.00 0.00 175.10 179.35 1h67 h GLN 73 N 4.93 0.18 -1.30 2.72 4.20 -1.95 -3.45 115.11 120.43 1h67 h GLN 73 Ca -0.51 -0.01 0.15 0.00 0.06 0.00 0.00 58.65 58.34 1h67 h GLN 73 Cb 1.22 -0.04 -0.30 0.00 0.30 0.00 0.00 27.48 28.65 1h67 h GLN 73 CO 0.62 0.12 0.64 -1.59 -0.67 0.00 0.00 178.83 177.96 1h67 s LYS 74 N -6.18 0.23 0.12 1.46 -2.85 -1.26 -5.14 119.74 106.12 1h67 s LYS 74 Ca -0.13 0.33 -0.31 0.00 -1.00 0.00 0.00 55.97 54.86 1h67 s LYS 74 Cb 0.10 0.09 -0.08 0.00 -2.06 0.00 0.00 37.83 35.88 1h67 s LYS 74 CO 0.70 -0.04 1.39 0.08 0.10 0.00 0.00 175.35 177.58 1h67 s VAL 75 N 0.59 3.28 -0.14 1.79 1.01 -1.26 -4.83 120.40 120.84 1h67 s VAL 75 Ca -0.01 0.93 -0.04 0.00 0.00 0.00 0.00 61.98 62.86 1h67 s VAL 75 Cb -0.04 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1h67 s VAL 75 CO -0.12 0.08 -0.00 0.20 0.00 0.00 0.00 175.10 175.25 1h67 s ASN 76 N 1.06 5.12 0.10 3.32 0.01 -1.26 -5.07 114.94 118.21 1h67 s ASN 76 Ca 0.64 0.01 -0.31 0.00 -0.71 0.00 0.00 52.86 52.49 1h67 s ASN 76 Cb -0.37 -1.72 -0.09 0.00 0.41 0.00 0.00 41.25 39.48 1h67 s ASN 76 CO 0.31 0.24 1.67 -0.62 -1.51 0.00 0.00 177.10 177.19 1h67 s ASP 77 N -0.04 6.57 0.00 -1.22 -1.08 -1.26 -4.79 116.67 114.84 1h67 s ASP 77 Ca 0.03 2.56 -0.01 0.00 -0.52 0.00 0.00 52.55 54.61 1h67 s ASP 77 Cb -0.13 -2.57 -0.06 0.00 -1.46 0.00 0.00 42.92 38.70 1h67 s ASP 77 CO 0.02 -0.90 1.50 -0.81 0.52 0.00 0.00 175.17 175.50 1h67 n PRO 78 N 5.33 0.74 0.06 4.34 -0.04 -1.26 -4.29 135.00 139.87 1h67 n PRO 78 Ca 0.16 -0.23 -0.07 0.00 -0.04 0.00 0.00 63.50 63.32 1h67 n PRO 78 Cb 0.40 -1.48 -0.04 0.00 -0.04 0.00 0.00 33.50 32.34 1h67 n PRO 78 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1h67 h VAL 79 N 1.95 0.33 0.00 0.52 2.07 -1.99 -3.46 116.25 115.67 1h67 h VAL 79 Ca 0.04 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1h67 h VAL 79 Cb 0.63 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1h67 h VAL 79 CO 0.17 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.85 1h67 n GLN 80 N -4.93 0.00 0.00 1.57 6.02 -1.26 -5.08 117.38 113.70 1h67 n GLN 80 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1h67 n GLN 80 Cb 0.18 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.44 1h67 n GLN 80 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1h67 n ASN 81 N 0.00 0.00 0.24 1.08 3.02 -1.26 -4.86 115.26 113.48 1h67 n ASN 81 Ca 0.00 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.71 1h67 n ASN 81 Cb 0.00 0.09 0.74 0.00 -0.61 0.00 0.00 39.78 40.01 1h67 n ASN 81 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 1h67 h TRP 82 N 0.00 0.00 -0.44 3.10 5.08 -1.98 -2.82 115.95 118.89 1h67 h TRP 82 Ca 0.00 0.00 0.03 0.00 1.08 0.00 0.00 58.89 60.00 1h67 h TRP 82 Cb 0.00 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.12 1h67 h TRP 82 CO 0.00 0.00 0.23 0.45 -1.28 0.00 0.00 178.44 177.84 1h67 h HIS 83 N 0.00 0.42 -0.68 0.12 3.86 -1.89 -2.25 115.15 114.73 1h67 h HIS 83 Ca 0.00 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.25 1h67 h HIS 83 Cb 0.29 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.60 1h67 h HIS 83 CO 0.00 0.21 0.44 0.87 0.86 0.00 0.00 177.93 180.31 1h67 h LYS 84 N 0.45 0.85 -0.93 2.45 1.57 -1.68 -2.39 116.57 116.89 1h67 h LYS 84 Ca 0.19 -0.05 0.18 0.00 -1.87 0.00 0.00 60.65 59.10 1h67 h LYS 84 Cb 0.09 -0.19 -0.08 0.00 0.08 0.00 0.00 32.23 32.13 1h67 h LYS 84 CO -0.13 0.56 0.60 -0.07 -0.57 0.00 0.00 179.45 179.84 1h67 h LEU 85 N 0.87 0.60 0.02 2.94 3.38 -1.51 0.65 115.31 122.27 1h67 h LEU 85 Ca 0.26 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 1h67 h LEU 85 Cb -0.03 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1h67 h LEU 85 CO -0.09 0.26 -0.01 -0.08 0.09 0.00 0.00 178.44 178.61 1h67 h GLU 86 N 0.61 -0.02 -0.89 1.13 4.81 -1.24 -1.50 114.58 117.48 1h67 h GLU 86 Ca 0.49 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.71 1h67 h GLU 86 Cb 0.93 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.27 1h67 h GLU 86 CO -0.24 0.45 0.51 -0.91 -0.73 0.00 0.00 179.01 178.09 1h67 h ASN 87 N -0.51 1.10 -0.50 1.04 2.35 -1.28 -2.03 115.58 115.74 1h67 h ASN 87 Ca -0.00 -0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.60 1h67 h ASN 87 Cb 0.48 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1h67 h ASN 87 CO 0.00 0.86 0.06 0.40 -1.65 0.00 0.00 177.43 177.11 1h67 h ILE 88 N 1.24 1.25 -0.37 2.81 2.04 -0.90 -0.92 117.51 122.67 1h67 h ILE 88 Ca 0.32 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 65.21 1h67 h ILE 88 Cb -0.01 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1h67 h ILE 88 CO -0.05 0.34 0.23 1.23 0.00 0.00 0.00 178.15 179.90 1h67 h GLY 89 N 0.72 0.53 1.06 5.37 0.00 -0.85 -1.55 103.07 108.35 1h67 h GLY 89 Ca 0.15 -0.21 -0.11 0.00 0.00 0.00 0.00 47.33 47.16 1h67 h GLY 89 CO 0.01 0.20 -0.13 3.43 0.00 0.00 0.00 176.54 180.05 1h67 h ASN 90 N 0.49 0.94 0.18 0.19 2.35 -1.30 -0.08 115.58 118.35 1h67 h ASN 90 Ca 0.13 -0.37 -0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1h67 h ASN 90 Cb -0.03 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 1h67 h ASN 90 CO -0.03 1.09 -0.14 0.15 -1.65 0.00 0.00 177.43 176.86 1h67 h PHE 91 N 0.78 -0.36 -0.33 1.19 3.57 -0.96 0.15 116.94 120.99 1h67 h PHE 91 Ca 0.12 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.51 1h67 h PHE 91 Cb 0.69 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 1h67 h PHE 91 CO 0.05 -0.22 -0.21 -0.07 -2.23 0.00 0.00 178.31 175.64 1h67 h LEU 92 N -0.33 0.75 -1.11 0.59 3.38 -1.30 -1.86 115.31 115.43 1h67 h LEU 92 Ca -0.01 -0.43 0.03 0.00 0.09 0.00 0.00 57.88 57.56 1h67 h LEU 92 Cb 0.29 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 1h67 h LEU 92 CO -0.01 1.01 0.60 -0.09 0.09 0.00 0.00 178.44 180.04 1h67 h ARG 93 N 0.48 1.14 -0.21 1.13 2.43 -0.89 0.29 114.38 118.76 1h67 h ARG 93 Ca 0.07 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 1h67 h ARG 93 Cb 0.75 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1h67 h ARG 93 CO 0.06 0.76 -0.12 0.00 -1.51 0.00 0.00 179.97 179.15 1h67 h ALA 94 N 1.45 0.29 -0.28 2.80 0.00 -0.56 -2.31 119.26 120.66 1h67 h ALA 94 Ca 0.35 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 1h67 h ALA 94 Cb -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1h67 h ALA 94 CO -0.10 0.15 -0.52 -0.84 0.00 0.00 0.00 179.25 177.95 1h67 h ILE 95 N 0.14 1.28 -0.73 0.00 3.07 -0.96 0.40 117.51 120.72 1h67 h ILE 95 Ca 0.04 -1.70 -0.00 0.00 1.55 0.00 0.00 64.86 64.75 1h67 h ILE 95 Cb 0.62 1.66 -0.04 0.00 -0.27 0.00 0.00 36.82 38.79 1h67 h ILE 95 CO 0.03 0.55 0.45 0.11 -1.05 0.00 0.00 178.15 178.25 1h67 h LYS 96 N 0.62 0.98 0.10 0.16 1.57 -0.48 -2.30 116.57 117.22 1h67 h LYS 96 Ca 0.01 -0.08 -0.27 0.00 -1.87 0.00 0.00 60.65 58.45 1h67 h LYS 96 Cb 1.12 -0.21 0.01 0.00 0.08 0.00 0.00 32.23 33.23 1h67 h LYS 96 CO 0.12 0.68 -1.17 1.25 -0.57 0.00 0.00 179.45 179.75 1h67 h HIS 97 N 0.99 0.56 -0.78 -1.35 2.76 -1.40 -3.30 115.15 112.63 1h67 h HIS 97 Ca 0.26 -0.38 0.14 0.00 -2.20 0.00 0.00 60.37 58.20 1h67 h HIS 97 Cb -0.06 -0.03 -0.10 0.00 1.55 0.00 0.00 27.41 28.77 1h67 h HIS 97 CO -0.01 1.26 0.34 -0.92 -1.30 0.00 0.00 177.93 177.30 1h67 h TYR 98 N 0.12 0.59 0.00 5.26 3.20 0.18 -3.45 116.97 122.86 1h67 h TYR 98 Ca -0.13 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.78 1h67 h TYR 98 Cb 1.87 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 40.00 1h67 h TYR 98 CO 0.07 0.09 0.00 0.41 -1.64 0.00 0.00 178.16 177.09 1h67 n GLY 99 N -1.32 1.23 3.68 1.82 0.00 -0.90 -5.07 105.19 104.62 1h67 n GLY 99 Ca 0.15 -0.09 -0.46 0.00 0.00 0.00 0.00 46.02 45.62 1h67 n GLY 99 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1h67 n VAL 100 N 0.00 0.13 -2.21 1.61 0.31 -0.99 -4.93 118.33 112.25 1h67 n VAL 100 Ca 0.00 -0.02 -0.39 0.00 -0.01 0.00 0.00 64.34 63.91 1h67 n VAL 100 Cb 0.00 -1.66 -0.02 0.00 -0.91 0.00 0.00 33.84 31.25 1h67 n VAL 100 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1h67 s LYS 101 N 1.62 4.17 0.35 5.55 1.02 -1.26 -4.09 119.74 127.10 1h67 s LYS 101 Ca 0.81 2.01 0.08 0.00 0.02 0.00 0.00 55.97 58.89 1h67 s LYS 101 Cb -0.66 -2.85 0.78 0.00 -0.52 0.00 0.00 37.83 34.58 1h67 s LYS 101 CO 0.40 -0.27 1.87 -1.35 -0.92 0.00 0.00 175.35 175.08 1h67 h PRO 102 N 2.97 0.71 -0.33 -1.68 0.11 -1.90 -0.03 132.00 131.84 1h67 h PRO 102 Ca -0.49 -0.04 0.10 0.00 0.11 0.00 0.00 66.00 65.67 1h67 h PRO 102 Cb 1.23 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1h67 h PRO 102 CO 0.64 0.47 0.30 0.45 -0.21 0.00 0.00 178.00 179.65 1h67 h HIS 103 N 0.74 0.00 -0.77 0.65 3.86 -2.02 0.14 115.15 117.75 1h67 h HIS 103 Ca 0.44 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 59.13 1h67 h HIS 103 Cb 0.64 0.00 -0.31 0.00 1.06 0.00 0.00 27.41 28.81 1h67 h HIS 103 CO -0.00 0.00 0.03 -0.25 0.86 0.00 0.00 177.93 178.56 1h67 n ASP 104 N -4.00 5.36 -3.72 2.45 8.00 -0.03 -4.94 116.55 119.67 1h67 n ASP 104 Ca 0.05 -3.77 -0.12 0.00 0.71 0.00 0.00 54.79 51.66 1h67 n ASP 104 Cb 0.46 -0.66 -0.12 0.00 -0.02 0.00 0.00 41.12 40.78 1h67 n ASP 104 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1h67 s ILE 105 N -4.34 -0.04 0.36 0.53 1.01 0.51 -4.42 121.20 114.82 1h67 s ILE 105 Ca 0.55 0.13 -0.26 0.00 0.00 0.00 0.00 60.65 61.07 1h67 s ILE 105 Cb 0.45 -0.44 -0.09 0.00 0.01 0.00 0.00 42.46 42.39 1h67 s ILE 105 CO 0.02 0.05 1.10 0.72 0.00 0.00 0.00 174.94 176.83 1h67 s PHE 106 N 1.28 3.30 0.35 3.97 -0.12 -1.26 -4.90 117.98 120.59 1h67 s PHE 106 Ca -0.09 1.63 -0.17 0.00 -0.05 0.00 0.00 56.93 58.25 1h67 s PHE 106 Cb -0.10 -3.26 -0.10 0.00 -0.63 0.00 0.00 43.02 38.94 1h67 s PHE 106 CO -0.10 -0.83 0.80 -1.21 -0.05 0.00 0.00 175.22 173.84 1h67 s GLU 107 N -2.11 4.09 0.35 1.99 8.01 -1.26 -4.93 118.70 124.84 1h67 s GLU 107 Ca 0.53 0.82 0.12 0.00 0.01 0.00 0.00 54.97 56.45 1h67 s GLU 107 Cb -0.28 -2.39 0.93 0.00 -4.31 0.00 0.00 34.13 28.08 1h67 s GLU 107 CO 0.35 0.12 1.77 0.00 0.01 0.00 0.00 175.26 177.51 1h67 h ALA 108 N 2.24 1.93 -0.43 5.21 0.00 -1.95 0.17 119.26 126.42 1h67 h ALA 108 Ca -0.48 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 1h67 h ALA 108 Cb 1.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1h67 h ALA 108 CO 0.64 -0.34 -0.26 -0.91 0.00 0.00 0.00 179.25 178.39 1h67 h ASN 109 N 0.56 0.94 -0.11 0.00 2.35 -1.98 -0.53 115.58 116.81 1h67 h ASN 109 Ca 0.60 -0.37 -0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1h67 h ASN 109 Cb 1.22 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.32 1h67 h ASN 109 CO -0.37 1.14 0.06 0.44 -1.65 0.00 0.00 177.43 177.06 1h67 h ASP 110 N 0.78 0.14 -0.12 5.81 3.32 -1.07 0.91 116.42 126.19 1h67 h ASP 110 Ca 0.10 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 1h67 h ASP 110 Cb 0.82 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.33 1h67 h ASP 110 CO 0.07 0.17 -0.17 0.25 -1.72 0.00 0.00 179.24 177.84 1h67 h LEU 111 N 0.10 0.35 0.43 1.55 5.85 -1.37 0.17 115.31 122.39 1h67 h LEU 111 Ca 0.04 -0.52 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 1h67 h LEU 111 Cb 0.06 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1h67 h LEU 111 CO -0.01 0.80 -0.23 0.15 -0.34 0.00 0.00 178.44 178.82 1h67 h PHE 112 N -0.09 -0.59 0.00 1.25 3.57 -1.06 -2.13 116.94 117.88 1h67 h PHE 112 Ca 0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1h67 h PHE 112 Cb 0.72 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.66 1h67 h PHE 112 CO 0.10 -0.36 0.00 0.39 -2.23 0.00 0.00 178.31 176.21 1h67 n GLU 113 N -5.36 0.21 -2.49 1.11 -0.58 0.31 -4.88 120.64 108.96 1h67 n GLU 113 Ca -0.11 0.34 -0.19 0.00 -0.42 0.00 0.00 57.16 56.78 1h67 n GLU 113 Cb 0.27 -1.84 0.00 0.00 -0.57 0.00 0.00 31.44 29.30 1h67 n GLU 113 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1h67 n ASN 114 N -2.22 -5.47 0.03 1.62 4.05 0.42 -4.92 115.26 108.77 1h67 n ASN 114 Ca 0.03 -0.07 -0.08 0.00 0.45 0.00 0.00 54.58 54.91 1h67 n ASN 114 Cb 0.30 -4.47 -0.06 0.00 1.23 0.00 0.00 39.78 36.78 1h67 n ASN 114 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1h67 h THR 115 N -0.30 0.64 -3.36 -0.44 1.35 -1.30 -3.44 112.91 106.07 1h67 h THR 115 Ca -0.45 -1.19 -0.59 0.00 -0.55 0.00 0.00 66.41 63.63 1h67 h THR 115 Cb 1.33 1.14 -0.09 0.00 -1.73 0.00 0.00 68.15 68.80 1h67 h THR 115 CO 0.52 0.19 0.31 0.20 -0.25 0.00 0.00 175.52 176.49 1h67 s ASN 116 N -5.51 6.79 -0.25 5.36 -0.87 -1.23 -4.93 114.94 114.31 1h67 s ASN 116 Ca -0.10 0.97 -0.10 0.00 -1.57 0.00 0.00 52.86 52.06 1h67 s ASN 116 Cb -0.00 -2.40 -0.12 0.00 -0.02 0.00 0.00 41.25 38.71 1h67 s ASN 116 CO 0.35 -0.40 -0.30 1.41 -2.57 0.00 0.00 177.10 175.60 1h67 n HIS 117 N 5.49 0.00 -0.18 2.20 8.25 -1.26 -4.12 115.22 125.59 1h67 n HIS 117 Ca 0.02 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.42 1h67 n HIS 117 Cb 0.49 -0.89 0.09 0.00 1.12 0.00 0.00 29.99 30.80 1h67 n HIS 117 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1h67 h THR 118 N -0.72 1.26 -0.39 1.59 2.02 -1.99 -2.47 112.91 112.19 1h67 h THR 118 Ca -0.61 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 65.53 1h67 h THR 118 Cb 1.60 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 1h67 h THR 118 CO -0.33 0.38 0.22 -0.61 0.37 0.00 0.00 175.52 175.55 1h67 h GLN 119 N 0.92 0.55 -0.18 6.66 5.75 -1.98 0.77 115.11 127.60 1h67 h GLN 119 Ca 0.18 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.61 1h67 h GLN 119 Cb 0.45 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 1h67 h GLN 119 CO 0.02 0.44 0.08 0.28 -2.65 0.00 0.00 178.83 177.00 1h67 h VAL 120 N 0.51 1.13 -0.44 2.39 2.07 -1.68 -1.50 116.25 118.73 1h67 h VAL 120 Ca 0.14 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1h67 h VAL 120 Cb 0.05 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1h67 h VAL 120 CO -0.02 0.12 0.14 -0.61 0.02 0.00 0.00 177.57 177.22 1h67 h GLN 121 N 0.16 0.68 -0.80 1.57 4.15 -1.33 -2.92 115.11 116.61 1h67 h GLN 121 Ca 0.06 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 1h67 h GLN 121 Cb 0.12 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.67 1h67 h GLN 121 CO -0.01 0.66 0.47 0.66 -1.93 0.00 0.00 178.83 178.68 1h67 h SER 122 N 0.57 0.96 -0.66 -0.69 4.64 -0.75 -2.68 113.55 114.94 1h67 h SER 122 Ca 0.14 -0.06 0.11 0.00 -0.47 0.00 0.00 61.79 61.51 1h67 h SER 122 Cb 0.26 -0.24 -0.08 0.00 -0.31 0.00 0.00 62.40 62.02 1h67 h SER 122 CO -0.01 0.75 0.25 0.74 -0.87 0.00 0.00 176.83 177.69 1h67 h THR 123 N 1.11 0.72 -0.96 2.95 2.02 -1.07 -0.34 112.91 117.34 1h67 h THR 123 Ca 0.29 -0.14 0.01 0.00 0.77 0.00 0.00 66.41 67.33 1h67 h THR 123 Cb -0.03 0.27 -0.05 0.00 -1.74 0.00 0.00 68.15 66.60 1h67 h THR 123 CO -0.05 0.08 0.63 -0.07 0.37 0.00 0.00 175.52 176.47 1h67 h LEU 124 N 0.41 1.11 -0.30 2.58 3.38 -1.48 -1.27 115.31 119.75 1h67 h LEU 124 Ca 0.35 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1h67 h LEU 124 Cb 0.47 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1h67 h LEU 124 CO -0.35 0.81 0.19 0.40 0.09 0.00 0.00 178.44 179.58 1h67 h ILE 125 N 1.31 1.10 -0.31 1.22 1.08 -1.03 -2.16 117.51 118.71 1h67 h ILE 125 Ca 0.35 -0.21 -0.03 0.00 -0.39 0.00 0.00 64.86 64.58 1h67 h ILE 125 Cb -0.14 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 34.30 1h67 h ILE 125 CO -0.07 0.09 0.06 0.00 -0.69 0.00 0.00 178.15 177.54 1h67 h ALA 126 N 1.08 0.41 -0.36 1.87 0.00 -0.98 -2.85 119.26 118.43 1h67 h ALA 126 Ca 0.11 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1h67 h ALA 126 Cb -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1h67 h ALA 126 CO -0.02 0.09 0.25 1.25 0.00 0.00 0.00 179.25 180.81 1h67 h LEU 127 N 0.33 0.21 -0.65 0.00 5.85 -1.11 -2.08 115.31 117.86 1h67 h LEU 127 Ca 0.09 -0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.92 1h67 h LEU 127 Cb 0.33 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.23 1h67 h LEU 127 CO 0.00 0.14 0.24 0.00 -0.34 0.00 0.00 178.44 178.48 1h67 h ALA 128 N 1.81 0.85 -0.33 1.25 0.00 -1.14 0.83 119.26 122.52 1h67 h ALA 128 Ca 0.16 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1h67 h ALA 128 Cb 0.33 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1h67 h ALA 128 CO -0.03 -0.20 0.13 0.77 0.00 0.00 0.00 179.25 179.92 1h67 h SER 129 N 0.41 0.42 0.15 0.00 0.02 -1.47 -2.91 113.55 110.16 1h67 h SER 129 Ca 0.34 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.24 1h67 h SER 129 Cb 0.45 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1h67 h SER 129 CO -0.34 0.38 -0.07 -0.61 -1.14 0.00 0.00 176.83 175.05 1h67 h GLN 130 N 0.47 -0.20 -1.81 3.45 5.75 -0.88 -3.14 115.11 118.75 1h67 h GLN 130 Ca 0.12 0.01 -0.12 0.00 -0.15 0.00 0.00 58.65 58.51 1h67 h GLN 130 Cb 0.10 0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.64 1h67 h GLN 130 CO -0.01 0.09 0.16 0.00 -2.65 0.00 0.00 178.83 176.42 1h67 n ALA 131 N -2.33 4.40 -0.08 3.38 0.00 -0.67 -4.26 120.51 120.95 1h67 n ALA 131 Ca -0.09 -0.63 -0.10 0.00 0.00 0.00 0.00 53.44 52.62 1h67 n ALA 131 Cb 0.20 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 18.46 1h67 n ALA 131 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1h67 h LYS 132 N 1.16 0.00 0.00 0.00 1.79 -1.53 -3.48 116.57 114.51 1h67 h LYS 132 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1h67 h LYS 132 Cb 0.97 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 1h67 h LYS 132 CO 0.29 0.40 0.00 -2.37 -1.08 0.00 0.00 179.45 176.68 1h67 n THR 133 N -4.58 0.00 0.01 -0.16 5.66 -1.26 -5.15 114.28 108.79 1h67 n THR 133 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1h67 n THR 133 Cb 0.38 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.16 1h67 n THR 133 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31