#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 0.37 0.00 2.12 0.11 -2.03 -3.48 132.00 129.08 1h67 h PRO 28 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1h67 h PRO 28 Cb 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.03 1h67 h PRO 28 CO 0.00 0.24 0.00 0.94 -0.21 0.00 0.00 178.00 178.97 1h67 n GLN 29 N -4.90 0.00 0.00 1.05 -0.06 -1.26 -4.96 117.38 107.25 1h67 n GLN 29 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.99 1h67 n GLN 29 Cb 0.04 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.22 1h67 n GLN 29 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49 1h67 n THR 30 N 0.00 0.00 0.02 1.69 5.66 -1.26 -4.99 114.28 115.39 1h67 n THR 30 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1h67 n THR 30 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 0.00 0.00 0.00 1.09 4.07 -1.26 -4.94 120.64 119.60 1h67 n GLU 31 Ca 0.00 0.00 -0.17 0.00 -0.06 0.00 0.00 57.16 56.93 1h67 n GLU 31 Cb 0.00 0.00 -0.12 0.00 -0.06 0.00 0.00 31.44 31.26 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 0.27 -0.44 5.31 2.43 -1.98 -3.13 114.38 116.84 1h67 h ARG 32 Ca 0.00 -0.34 -0.13 0.00 -0.81 0.00 0.00 59.98 58.69 1h67 h ARG 32 Cb 0.00 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1h67 h ARG 32 CO 0.00 1.08 -0.25 1.96 -1.51 0.00 0.00 179.97 181.26 1h67 h GLN 33 N -0.39 0.94 -0.07 0.20 1.08 -1.94 -2.78 115.11 112.16 1h67 h GLN 33 Ca -0.07 -0.43 0.00 0.00 -1.45 0.00 0.00 58.65 56.70 1h67 h GLN 33 Cb 1.29 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.70 1h67 h GLN 33 CO 0.10 1.09 0.03 -0.07 -0.95 0.00 0.00 178.83 179.02 1h67 h LEU 34 N 0.77 0.04 0.04 1.46 3.38 -1.93 0.47 115.31 119.55 1h67 h LEU 34 Ca 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1h67 h LEU 34 Cb 0.83 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1h67 h LEU 34 CO 0.07 0.04 -0.02 0.08 0.09 0.00 0.00 178.44 178.70 1h67 h ARG 35 N 0.07 -0.05 -0.81 1.13 0.11 -1.58 -2.42 114.38 110.82 1h67 h ARG 35 Ca 0.03 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.08 1h67 h ARG 35 Cb 0.01 0.01 -0.04 0.00 1.11 0.00 0.00 29.97 31.06 1h67 h ARG 35 CO -0.02 0.12 0.38 0.28 0.10 0.00 0.00 179.97 180.83 1h67 h VAL 36 N -0.21 1.25 0.00 0.08 2.07 -1.46 -1.74 116.25 116.25 1h67 h VAL 36 Ca -0.01 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1h67 h VAL 36 Cb 0.19 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1h67 h VAL 36 CO 0.01 0.31 0.00 1.87 0.02 0.00 0.00 177.57 179.78 1h67 n TRP 37 N -4.30 0.00 0.18 1.57 -0.00 0.15 -0.95 117.44 114.09 1h67 n TRP 37 Ca 0.08 0.00 -0.15 0.00 -0.00 0.00 0.00 57.50 57.43 1h67 n TRP 37 Cb 0.15 -0.47 -0.08 0.00 -0.00 0.00 0.00 31.31 30.91 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 0.72 -0.63 5.87 2.04 -1.52 0.22 117.51 124.20 1h67 h ILE 38 Ca 0.00 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.79 1h67 h ILE 38 Cb 0.00 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 1h67 h ILE 38 CO 0.00 0.02 0.39 -0.33 0.00 0.00 0.00 178.15 178.23 1h67 h GLU 39 N -0.45 0.75 -0.08 2.37 5.08 -1.46 -2.19 114.58 118.60 1h67 h GLU 39 Ca -0.04 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 1h67 h GLU 39 Cb 0.34 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1h67 h GLU 39 CO 0.07 0.50 -0.42 0.78 -1.00 0.00 0.00 179.01 178.93 1h67 h GLY 40 N 0.77 0.19 0.00 -3.84 0.00 -0.94 0.12 103.07 99.37 1h67 h GLY 40 Ca 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1h67 h GLY 40 CO -0.10 0.16 0.00 0.00 0.00 0.00 0.00 176.54 176.61 1h67 n ALA 41 N -2.47 -0.36 -0.06 3.60 0.00 0.75 -4.07 120.51 117.90 1h67 n ALA 41 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 1h67 n ALA 41 Cb 0.47 0.13 -0.11 0.00 0.00 0.00 0.00 19.45 19.94 1h67 n ALA 41 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1h67 h THR 42 N 0.00 1.54 0.00 0.00 1.35 -1.65 -3.49 112.91 110.66 1h67 h THR 42 Ca 0.00 -2.05 0.00 0.00 -0.55 0.00 0.00 66.41 63.81 1h67 h THR 42 Cb 0.00 2.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 1h67 h THR 42 CO 0.00 0.50 0.00 0.61 -0.25 0.00 0.00 175.52 176.38 1h67 n GLY 43 N 1.45 0.94 3.00 5.82 0.00 -0.02 -5.12 105.19 111.25 1h67 n GLY 43 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 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 1.70 -0.00 1.61 1.81 -0.90 -5.03 118.95 118.15 1h67 s ARG 44 Ca 0.00 -0.39 -0.22 0.00 -1.72 0.00 0.00 55.73 53.40 1h67 s ARG 44 Cb 0.00 -1.50 -0.05 0.00 -0.45 0.00 0.00 34.95 32.95 1h67 s ARG 44 CO 0.00 -0.06 0.66 1.03 -0.68 0.00 0.00 175.30 176.25 1h67 s ARG 45 N 0.97 4.39 0.32 3.54 1.81 -1.26 -4.26 118.95 124.45 1h67 s ARG 45 Ca -0.09 0.84 0.05 0.00 -1.72 0.00 0.00 55.73 54.81 1h67 s ARG 45 Cb -0.15 -3.37 0.68 0.00 -0.45 0.00 0.00 34.95 31.66 1h67 s ARG 45 CO -0.00 0.29 1.85 0.82 -0.68 0.00 0.00 175.30 177.58 1h67 h ILE 46 N 4.25 0.88 0.00 1.52 2.04 -1.96 -3.47 117.51 120.78 1h67 h ILE 46 Ca -0.44 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.13 1h67 h ILE 46 Cb 1.20 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1h67 h ILE 46 CO 0.71 0.16 0.00 0.61 0.00 0.00 0.00 178.15 179.63 1h67 n GLY 47 N -1.39 0.39 3.60 5.37 0.00 -1.26 -4.73 105.19 107.17 1h67 n GLY 47 Ca 0.18 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 1h67 n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1h67 n ASP 48 N 4.67 1.10 0.00 1.61 5.75 -1.26 -4.59 116.55 123.83 1h67 n ASP 48 Ca 0.00 1.03 0.00 0.00 -0.01 0.00 0.00 54.79 55.81 1h67 n ASP 48 Cb 0.00 -1.33 0.00 0.00 -1.03 0.00 0.00 41.12 38.76 1h67 n ASP 48 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1h67 n ASN 49 N 0.61 0.00 0.08 -1.12 3.02 -1.26 -4.31 115.26 112.28 1h67 n ASN 49 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 1h67 n ASN 49 Cb 0.39 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 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 14.00 -3.01 -0.01 3.10 7.35 -1.26 -4.94 117.46 132.69 1h67 n PHE 50 Ca 0.00 0.56 -0.17 0.00 -0.76 0.00 0.00 57.45 57.08 1h67 n PHE 50 Cb 0.00 1.67 -0.13 0.00 0.35 0.00 0.00 39.48 41.38 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 0.23 -0.49 -4.13 0.00 -1.98 -3.27 114.93 105.28 1h67 h MET 51 Ca 0.00 -0.30 0.12 0.00 0.00 0.00 0.00 59.70 59.52 1h67 h MET 51 Cb 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 31.60 31.67 1h67 h MET 51 CO 0.00 1.06 0.34 -0.44 0.00 0.00 0.00 176.91 177.88 1h67 h ASP 52 N -0.47 0.09 -0.62 1.22 3.32 -1.92 -1.85 116.42 116.20 1h67 h ASP 52 Ca -0.07 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1h67 h ASP 52 Cb 1.25 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.75 1h67 h ASP 52 CO 0.08 0.05 0.35 1.23 -1.72 0.00 0.00 179.24 179.24 1h67 h GLY 53 N 0.10 0.91 2.00 2.75 0.00 -1.75 -2.34 103.07 104.74 1h67 h GLY 53 Ca 0.23 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1h67 h GLY 53 CO -0.02 0.39 -0.07 1.41 0.00 0.00 0.00 176.54 178.24 1h67 h LEU 54 N 0.83 0.00 -0.98 3.11 -0.00 -1.45 -2.88 115.31 113.94 1h67 h LEU 54 Ca 0.22 0.00 0.20 0.00 -0.00 0.00 0.00 57.88 58.29 1h67 h LEU 54 Cb 0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 40.57 1h67 h LEU 54 CO -0.04 0.07 0.58 0.11 -0.00 0.00 0.00 178.44 179.16 1h67 h LYS 55 N 0.00 0.68 -0.69 1.13 1.57 -1.42 0.32 116.57 118.15 1h67 h LYS 55 Ca -0.00 -0.04 0.19 0.00 -1.87 0.00 0.00 60.65 58.93 1h67 h LYS 55 Cb 0.15 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1h67 h LYS 55 CO 0.01 0.45 0.49 0.38 -0.57 0.00 0.00 179.45 180.21 1h67 h ASP 56 N 0.70 0.07 -5.29 0.86 2.03 -1.65 -3.45 116.42 109.69 1h67 h ASP 56 Ca 0.58 0.01 -0.36 0.00 -0.73 0.00 0.00 57.03 56.52 1h67 h ASP 56 Cb 0.94 -0.01 0.12 0.00 -0.83 0.00 0.00 39.33 39.55 1h67 h ASP 56 CO -0.41 0.03 -0.61 0.61 -1.03 0.00 0.00 179.24 177.84 1h67 n GLY 57 N -1.64 -0.40 0.45 7.15 0.00 0.10 -4.44 105.19 106.40 1h67 n GLY 57 Ca 0.14 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.20 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 -4.75 1.19 -0.14 1.61 0.31 -1.26 -3.92 118.33 111.37 1h67 n VAL 58 Ca 0.00 0.01 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 1h67 n VAL 58 Cb 0.56 -1.91 -0.01 0.00 -0.91 0.00 0.00 33.84 31.57 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 -0.63 1.22 -0.25 2.52 2.04 -1.92 0.15 117.51 120.63 1h67 h ILE 59 Ca -0.22 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 1h67 h ILE 59 Cb 1.00 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 1h67 h ILE 59 CO -0.13 0.25 0.09 -0.07 0.00 0.00 0.00 178.15 178.29 1h67 h LEU 60 N 0.52 0.35 -0.76 1.44 3.38 -1.91 0.30 115.31 118.64 1h67 h LEU 60 Ca 0.13 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 58.00 1h67 h LEU 60 Cb 0.25 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 1h67 h LEU 60 CO -0.00 0.45 0.41 0.00 0.09 0.00 0.00 178.44 179.38 1h67 h GLU 62 N 0.69 0.33 0.24 0.00 5.08 -0.23 -2.78 114.58 117.91 1h67 h GLU 62 Ca 0.37 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1h67 h GLU 62 Cb 0.35 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1h67 h GLU 62 CO -0.25 0.60 -0.11 1.25 -1.00 0.00 0.00 179.01 179.49 1h67 h LEU 63 N 0.29 -0.27 -1.09 1.33 7.12 0.20 -3.19 115.31 119.70 1h67 h LEU 63 Ca 0.04 -0.19 0.03 0.00 0.13 0.00 0.00 57.88 57.89 1h67 h LEU 63 Cb 0.67 0.07 -0.05 0.00 -0.53 0.00 0.00 40.66 40.82 1h67 h LEU 63 CO 0.05 0.05 0.61 -0.29 -0.13 0.00 0.00 178.44 178.74 1h67 h ILE 64 N -0.62 1.18 -0.41 4.05 6.09 -1.03 -1.03 117.51 125.74 1h67 h ILE 64 Ca -0.03 -0.41 0.12 0.00 -1.37 0.00 0.00 64.86 63.17 1h67 h ILE 64 Cb 0.44 -0.12 -0.02 0.00 0.47 0.00 0.00 36.82 37.60 1h67 h ILE 64 CO 0.05 0.22 0.35 0.78 -3.07 0.00 0.00 178.15 176.48 1h67 h ASN 65 N 1.20 0.00 0.08 2.19 2.35 -1.48 0.72 115.58 120.63 1h67 h ASN 65 Ca 0.36 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.11 1h67 h ASN 65 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1h67 h ASN 65 CO -0.10 0.00 -0.04 0.11 -1.65 0.00 0.00 177.43 175.75 1h67 h LYS 66 N 0.00 -0.10 0.45 0.81 1.79 -1.19 -3.37 116.57 114.97 1h67 h LYS 66 Ca 0.20 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.65 1h67 h LYS 66 Cb 0.89 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 1h67 h LYS 66 CO -0.00 0.46 -0.21 -0.07 -1.08 0.00 0.00 179.45 178.54 1h67 h LEU 67 N -0.79 -0.51 -8.64 2.94 3.38 -1.17 -3.42 115.31 107.11 1h67 h LEU 67 Ca -0.01 -0.04 -0.67 0.00 0.09 0.00 0.00 57.88 57.25 1h67 h LEU 67 Cb 0.60 0.13 -0.17 0.00 0.09 0.00 0.00 40.66 41.31 1h67 h LEU 67 CO 0.02 -0.08 -0.14 -1.58 0.09 0.00 0.00 178.44 176.75 1h67 s GLN 68 N -3.78 3.34 0.03 1.13 0.74 0.24 -5.03 119.66 116.32 1h67 s GLN 68 Ca -0.11 -0.50 -0.36 0.00 0.05 0.00 0.00 55.36 54.45 1h67 s GLN 68 Cb 0.01 -3.90 -0.15 0.00 1.10 0.00 0.00 33.01 30.07 1h67 s GLN 68 CO 0.34 -0.77 1.55 -2.30 -0.55 0.00 0.00 175.29 173.56 1h67 n PRO 69 N 5.69 1.61 -3.72 1.67 -0.02 -1.26 -2.68 135.00 136.30 1h67 n PRO 69 Ca -0.06 0.58 -0.24 0.00 -2.02 0.00 0.00 63.50 61.76 1h67 n PRO 69 Cb 0.48 -2.30 0.03 0.00 -0.02 0.00 0.00 33.50 31.69 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 3.31 -0.53 0.00 -1.23 0.00 -1.26 -4.97 105.19 100.51 1h67 n GLY 70 Ca 0.20 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1h67 n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1h67 n SER 71 N -2.95 0.00 -4.70 1.61 7.64 -1.09 -4.79 113.62 109.34 1h67 n SER 71 Ca -0.23 0.20 -0.39 0.00 1.01 0.00 0.00 58.87 59.45 1h67 n SER 71 Cb 0.65 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.80 1h67 n SER 71 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1h67 s VAL 72 N -0.39 5.07 -0.16 0.44 1.01 -1.26 -5.00 120.40 120.11 1h67 s VAL 72 Ca 0.00 1.22 -0.13 0.00 0.00 0.00 0.00 61.98 63.06 1h67 s VAL 72 Cb 0.00 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 1h67 s VAL 72 CO 0.00 0.21 0.28 0.00 0.00 0.00 0.00 175.10 175.59 1h67 s GLN 73 N 1.20 4.23 -0.97 2.72 -2.07 -1.26 -4.54 119.66 118.98 1h67 s GLN 73 Ca 0.31 0.07 -0.10 0.00 -1.82 0.00 0.00 55.36 53.82 1h67 s GLN 73 Cb -0.16 -3.42 -0.01 0.00 -1.09 0.00 0.00 33.01 28.33 1h67 s GLN 73 CO 0.13 0.26 0.74 1.17 -1.32 0.00 0.00 175.29 176.27 1h67 n LYS 74 N 3.51 -1.37 -1.68 9.60 4.81 -1.26 -4.82 118.16 126.95 1h67 n LYS 74 Ca -0.12 0.81 -0.46 0.00 -0.87 0.00 0.00 58.31 57.66 1h67 n LYS 74 Cb 0.52 -4.25 -0.04 0.00 0.02 0.00 0.00 35.03 31.28 1h67 n LYS 74 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1h67 n VAL 75 N -3.19 0.38 -2.84 3.15 3.14 -1.26 -4.94 118.33 112.77 1h67 n VAL 75 Ca -0.12 -0.07 -0.40 0.00 -2.96 0.00 0.00 64.34 60.79 1h67 n VAL 75 Cb 0.59 -1.85 -0.05 0.00 -1.06 0.00 0.00 33.84 31.46 1h67 n VAL 75 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1h67 s ASN 76 N 2.90 7.48 0.53 6.55 0.01 -1.26 -5.04 114.94 126.10 1h67 s ASN 76 Ca 0.86 1.75 -0.21 0.00 -0.71 0.00 0.00 52.86 54.56 1h67 s ASN 76 Cb -0.63 -2.55 -0.06 0.00 0.41 0.00 0.00 41.25 38.42 1h67 s ASN 76 CO 0.44 0.09 1.18 -1.81 -1.51 0.00 0.00 177.10 175.49 1h67 s ASP 77 N -0.67 5.71 0.00 -1.22 1.01 -1.26 -4.79 116.67 115.45 1h67 s ASP 77 Ca 0.41 2.31 -0.03 0.00 0.71 0.00 0.00 52.55 55.95 1h67 s ASP 77 Cb -0.24 -2.60 -0.12 0.00 1.01 0.00 0.00 42.92 40.97 1h67 s ASP 77 CO 0.29 -1.23 2.12 -0.81 0.21 0.00 0.00 175.17 175.74 1h67 n PRO 78 N -1.08 1.07 -0.11 8.23 -0.04 -1.26 -4.41 135.00 137.40 1h67 n PRO 78 Ca 0.11 -0.46 -0.04 0.00 -0.04 0.00 0.00 63.50 63.07 1h67 n PRO 78 Cb 0.49 -1.65 0.17 0.00 -0.04 0.00 0.00 33.50 32.47 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 2.12 1.24 -0.01 0.52 2.07 -1.97 -3.47 116.25 116.75 1h67 h VAL 79 Ca 0.09 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1h67 h VAL 79 Cb 0.85 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1h67 h VAL 79 CO 0.25 0.34 0.00 0.00 0.02 0.00 0.00 177.57 178.18 1h67 n GLN 80 N -4.23 0.08 -0.13 1.57 6.02 -1.26 -5.09 117.38 114.34 1h67 n GLN 80 Ca 0.03 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.75 1h67 n GLN 80 Cb 0.28 0.00 -0.11 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 1.96 0.03 1.08 3.02 -1.26 -4.40 115.26 115.70 1h67 n ASN 81 Ca 0.00 0.24 0.07 0.00 -0.03 0.00 0.00 54.58 54.86 1h67 n ASN 81 Cb 0.00 -0.74 0.49 0.00 -0.61 0.00 0.00 39.78 38.92 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 -0.76 0.38 -0.33 3.10 5.08 -1.98 -2.04 115.95 119.39 1h67 h TRP 82 Ca -0.65 0.01 0.06 0.00 1.08 0.00 0.00 58.89 59.38 1h67 h TRP 82 Cb 1.67 -0.13 -0.05 0.00 -3.00 0.00 0.00 29.16 27.65 1h67 h TRP 82 CO -0.05 0.22 0.00 0.45 -1.28 0.00 0.00 178.44 177.79 1h67 h HIS 83 N 0.39 -0.01 -0.33 0.12 3.86 -1.86 -2.40 115.15 114.92 1h67 h HIS 83 Ca 0.15 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.35 1h67 h HIS 83 Cb 0.12 0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1h67 h HIS 83 CO -0.00 -0.05 0.07 0.87 0.86 0.00 0.00 177.93 179.68 1h67 h LYS 84 N 0.10 0.53 -0.89 2.45 1.57 -1.59 -2.85 116.57 115.89 1h67 h LYS 84 Ca 0.16 -0.13 0.22 0.00 -1.87 0.00 0.00 60.65 59.03 1h67 h LYS 84 Cb 0.22 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.40 1h67 h LYS 84 CO -0.27 0.59 0.60 -0.07 -0.57 0.00 0.00 179.45 179.74 1h67 h LEU 85 N 0.37 0.29 0.05 2.94 3.38 -1.03 0.11 115.31 121.43 1h67 h LEU 85 Ca 0.10 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1h67 h LEU 85 Cb 0.31 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1h67 h LEU 85 CO 0.00 0.11 -0.03 -0.08 0.09 0.00 0.00 178.44 178.54 1h67 h GLU 86 N 0.28 -0.07 -0.92 1.13 4.57 -1.22 -2.59 114.58 115.77 1h67 h GLU 86 Ca 0.46 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.64 1h67 h GLU 86 Cb 1.33 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.89 1h67 h GLU 86 CO -0.13 0.53 0.57 -0.91 -1.18 0.00 0.00 179.01 177.89 1h67 h ASN 87 N -0.75 1.08 -0.56 1.04 2.35 -1.18 -2.15 115.58 115.41 1h67 h ASN 87 Ca -0.01 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 1h67 h ASN 87 Cb 0.62 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 1h67 h ASN 87 CO 0.01 0.81 0.20 0.40 -1.65 0.00 0.00 177.43 177.20 1h67 h ILE 88 N 1.26 1.23 -0.44 2.81 2.04 -0.89 -1.35 117.51 122.17 1h67 h ILE 88 Ca 0.33 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 1h67 h ILE 88 Cb -0.09 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1h67 h ILE 88 CO -0.07 0.29 0.25 1.23 0.00 0.00 0.00 178.15 179.85 1h67 h GLY 89 N 0.78 0.65 1.00 5.37 0.00 -1.06 -1.27 103.07 108.54 1h67 h GLY 89 Ca 0.18 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.16 1h67 h GLY 89 CO -0.01 0.28 0.07 3.43 0.00 0.00 0.00 176.54 180.30 1h67 h ASN 90 N 0.58 0.82 -0.04 0.19 2.35 -1.27 -1.17 115.58 117.03 1h67 h ASN 90 Ca 0.16 -0.27 -0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1h67 h ASN 90 Cb 0.04 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.18 1h67 h ASN 90 CO -0.03 0.89 0.02 0.15 -1.65 0.00 0.00 177.43 176.81 1h67 h PHE 91 N 0.73 0.06 -0.17 1.19 3.57 -1.07 -0.86 116.94 120.40 1h67 h PHE 91 Ca 0.15 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1h67 h PHE 91 Cb 0.42 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1h67 h PHE 91 CO 0.03 0.14 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.16 1h67 h LEU 92 N -0.03 0.30 -1.07 0.59 3.38 -1.22 -0.87 115.31 116.39 1h67 h LEU 92 Ca 0.02 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.67 1h67 h LEU 92 Cb 0.10 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 1h67 h LEU 92 CO -0.00 0.56 0.63 0.08 0.09 0.00 0.00 178.44 179.80 1h67 h ARG 93 N 0.03 1.22 -0.33 1.13 0.11 -1.21 0.17 114.38 115.50 1h67 h ARG 93 Ca 0.04 -0.07 -0.08 0.00 0.10 0.00 0.00 59.98 59.98 1h67 h ARG 93 Cb 0.42 -0.27 -0.01 0.00 1.11 0.00 0.00 29.97 31.21 1h67 h ARG 93 CO 0.01 0.81 -0.09 0.00 0.10 0.00 0.00 179.97 180.79 1h67 h ALA 94 N 1.42 0.45 -0.27 0.08 0.00 -1.04 -2.25 119.26 117.66 1h67 h ALA 94 Ca 0.36 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 1h67 h ALA 94 Cb -0.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1h67 h ALA 94 CO -0.09 0.30 -0.57 -0.84 0.00 0.00 0.00 179.25 178.06 1h67 h ILE 95 N 0.42 1.28 -0.90 0.00 3.07 -0.75 0.47 117.51 121.10 1h67 h ILE 95 Ca 0.08 -1.76 -0.00 0.00 1.55 0.00 0.00 64.86 64.73 1h67 h ILE 95 Cb 0.60 1.67 -0.04 0.00 -0.27 0.00 0.00 36.82 38.77 1h67 h ILE 95 CO 0.04 0.57 0.55 0.11 -1.05 0.00 0.00 178.15 178.37 1h67 h LYS 96 N 0.64 1.21 0.14 0.16 1.57 -0.69 -2.14 116.57 117.47 1h67 h LYS 96 Ca 0.01 -0.10 -0.29 0.00 -1.87 0.00 0.00 60.65 58.39 1h67 h LYS 96 Cb 1.18 -0.26 0.01 0.00 0.08 0.00 0.00 32.23 33.23 1h67 h LYS 96 CO 0.12 0.84 -1.38 1.25 -0.57 0.00 0.00 179.45 179.71 1h67 h HIS 97 N 1.23 0.55 -0.67 -1.35 2.76 -1.34 -3.34 115.15 113.00 1h67 h HIS 97 Ca 0.32 -0.40 0.10 0.00 -2.20 0.00 0.00 60.37 58.19 1h67 h HIS 97 Cb -0.07 -0.02 -0.07 0.00 1.55 0.00 0.00 27.41 28.79 1h67 h HIS 97 CO 0.00 1.36 0.30 -0.92 -1.30 0.00 0.00 177.93 177.37 1h67 h TYR 98 N 0.08 0.53 0.00 5.26 3.20 0.35 -3.46 116.97 122.94 1h67 h TYR 98 Ca -0.19 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.71 1h67 h TYR 98 Cb 2.02 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 40.15 1h67 h TYR 98 CO 0.07 0.17 0.00 0.41 -1.64 0.00 0.00 178.16 177.17 1h67 n GLY 99 N -1.30 0.59 3.68 1.82 0.00 -0.84 -5.07 105.19 104.07 1h67 n GLY 99 Ca 0.10 -0.04 -0.45 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 0.19 -2.24 1.61 0.31 -0.97 -4.93 118.33 112.30 1h67 n VAL 100 Ca 0.00 -0.03 -0.39 0.00 -0.01 0.00 0.00 64.34 63.90 1h67 n VAL 100 Cb 0.00 -1.77 -0.02 0.00 -0.91 0.00 0.00 33.84 31.14 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 1.95 4.22 0.29 5.55 -0.14 -1.26 -4.02 119.74 126.33 1h67 s LYS 101 Ca 0.82 1.99 0.02 0.00 -1.36 0.00 0.00 55.97 57.44 1h67 s LYS 101 Cb -0.62 -2.89 0.60 0.00 -1.68 0.00 0.00 37.83 33.24 1h67 s LYS 101 CO 0.40 -0.22 1.83 -1.35 -0.76 0.00 0.00 175.35 175.25 1h67 h PRO 102 N 3.05 0.92 -0.20 -1.68 0.11 -1.91 0.55 132.00 132.85 1h67 h PRO 102 Ca -0.49 -0.06 0.06 0.00 0.11 0.00 0.00 66.00 65.63 1h67 h PRO 102 Cb 1.23 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1h67 h PRO 102 CO 0.64 0.61 0.22 1.25 -0.21 0.00 0.00 178.00 180.51 1h67 h HIS 103 N 0.95 0.00 -0.76 0.65 -0.00 -2.01 0.10 115.15 114.08 1h67 h HIS 103 Ca 0.51 0.00 -0.52 0.00 -0.00 0.00 0.00 60.37 60.36 1h67 h HIS 103 Cb 0.56 0.00 -0.32 0.00 -0.00 0.00 0.00 27.41 27.66 1h67 h HIS 103 CO -0.00 0.00 -0.08 -0.25 -0.00 0.00 0.00 177.93 177.60 1h67 n ASP 104 N -3.77 5.31 -3.73 3.26 8.00 0.18 -4.95 116.55 120.85 1h67 n ASP 104 Ca 0.02 -3.77 -0.12 0.00 0.71 0.00 0.00 54.79 51.62 1h67 n ASP 104 Cb 0.35 -0.62 -0.13 0.00 -0.02 0.00 0.00 41.12 40.70 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 -4.37 -0.04 0.34 0.53 1.01 0.36 -4.24 121.20 114.79 1h67 s ILE 105 Ca 0.54 0.15 -0.26 0.00 0.00 0.00 0.00 60.65 61.08 1h67 s ILE 105 Cb 0.44 -0.38 -0.09 0.00 0.01 0.00 0.00 42.46 42.45 1h67 s ILE 105 CO 0.02 0.06 1.04 0.72 0.00 0.00 0.00 174.94 176.78 1h67 s PHE 106 N 1.27 3.48 0.53 3.97 -0.12 -1.26 -4.91 117.98 120.93 1h67 s PHE 106 Ca -0.09 1.70 -0.08 0.00 -0.05 0.00 0.00 56.93 58.41 1h67 s PHE 106 Cb -0.10 -3.13 -0.04 0.00 -0.63 0.00 0.00 43.02 39.12 1h67 s PHE 106 CO -0.08 -0.39 0.87 -1.21 -0.05 0.00 0.00 175.22 174.36 1h67 s GLU 107 N -2.02 3.59 0.43 1.99 8.01 -1.26 -4.91 118.70 124.52 1h67 s GLU 107 Ca 0.51 0.42 0.24 0.00 0.01 0.00 0.00 54.97 56.16 1h67 s GLU 107 Cb -0.25 -2.27 1.24 0.00 -4.31 0.00 0.00 34.13 28.55 1h67 s GLU 107 CO 0.31 -0.32 1.75 0.00 0.01 0.00 0.00 175.26 177.01 1h67 h ALA 108 N 0.11 2.48 -0.07 5.21 0.00 -1.96 0.30 119.26 125.33 1h67 h ALA 108 Ca -0.46 0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.30 1h67 h ALA 108 Cb 1.20 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1h67 h ALA 108 CO 0.62 -0.92 -0.81 -2.95 0.00 0.00 0.00 179.25 175.19 1h67 h ASN 109 N 0.27 0.63 -0.50 0.00 7.08 -1.96 -0.83 115.58 120.27 1h67 h ASN 109 Ca 0.63 -0.44 0.08 0.00 -3.08 0.00 0.00 56.30 53.49 1h67 h ASN 109 Cb 1.85 -0.19 -0.06 0.00 -2.08 0.00 0.00 38.32 37.84 1h67 h ASN 109 CO -0.27 1.21 0.13 0.44 -2.08 0.00 0.00 177.43 176.86 1h67 h ASP 110 N 0.34 0.08 0.04 6.14 5.19 -0.74 0.76 116.42 128.23 1h67 h ASP 110 Ca -0.05 0.08 -0.05 0.00 -0.62 0.00 0.00 57.03 56.38 1h67 h ASP 110 Cb 1.41 0.09 0.01 0.00 0.18 0.00 0.00 39.33 41.02 1h67 h ASP 110 CO 0.15 0.07 -0.23 0.25 -3.12 0.00 0.00 179.24 176.36 1h67 h LEU 111 N 0.29 0.14 0.45 1.55 5.85 -1.56 -0.25 115.31 121.77 1h67 h LEU 111 Ca 0.24 -0.98 -0.02 0.00 0.84 0.00 0.00 57.88 57.96 1h67 h LEU 111 Cb 0.30 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1h67 h LEU 111 CO -0.29 1.11 -0.22 0.15 -0.34 0.00 0.00 178.44 178.86 1h67 h PHE 112 N -0.82 -0.56 0.00 1.25 3.57 -1.04 -2.93 116.94 116.42 1h67 h PHE 112 Ca -0.04 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1h67 h PHE 112 Cb 1.18 0.18 0.00 0.00 2.79 0.00 0.00 35.95 40.11 1h67 h PHE 112 CO 0.26 -0.35 0.00 0.39 -2.23 0.00 0.00 178.31 176.38 1h67 n GLU 113 N -4.04 0.43 -2.49 1.11 -0.58 0.26 -4.80 120.64 110.53 1h67 n GLU 113 Ca -0.07 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.52 1h67 n GLU 113 Cb 0.24 -1.46 -0.01 0.00 -0.57 0.00 0.00 31.44 29.65 1h67 n GLU 113 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1h67 n ASN 114 N -0.96 -4.39 -0.17 1.62 3.02 -1.03 -4.83 115.26 108.52 1h67 n ASN 114 Ca 0.09 0.11 -0.11 0.00 -0.03 0.00 0.00 54.58 54.65 1h67 n ASN 114 Cb 0.04 -3.70 0.00 0.00 -0.61 0.00 0.00 39.78 35.52 1h67 n ASN 114 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1h67 h THR 115 N -0.09 1.27 -3.16 3.41 2.02 -1.09 -3.42 112.91 111.84 1h67 h THR 115 Ca -0.35 -1.28 -0.55 0.00 0.77 0.00 0.00 66.41 65.00 1h67 h THR 115 Cb 1.26 1.05 -0.37 0.00 -1.74 0.00 0.00 68.15 68.35 1h67 h THR 115 CO 0.41 0.45 -0.81 0.20 0.37 0.00 0.00 175.52 176.14 1h67 s ASN 116 N -6.61 2.33 -0.24 4.18 -0.87 -0.83 -5.00 114.94 107.90 1h67 s ASN 116 Ca -0.12 -0.36 -0.18 0.00 -1.57 0.00 0.00 52.86 50.64 1h67 s ASN 116 Cb 0.12 -0.95 -0.15 0.00 -0.02 0.00 0.00 41.25 40.25 1h67 s ASN 116 CO 0.86 -0.10 -0.07 1.41 -2.57 0.00 0.00 177.10 176.62 1h67 n HIS 117 N 4.88 0.52 -0.36 2.20 8.25 -1.26 -4.06 115.22 125.38 1h67 n HIS 117 Ca -0.14 0.22 -0.03 0.00 -0.26 0.00 0.00 57.72 57.52 1h67 n HIS 117 Cb 0.50 -1.04 0.10 0.00 1.12 0.00 0.00 29.99 30.67 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 -1.00 1.26 -0.62 1.59 2.02 -1.98 -2.04 112.91 112.14 1h67 h THR 118 Ca -0.51 -0.53 0.05 0.00 0.77 0.00 0.00 66.41 66.19 1h67 h THR 118 Cb 1.44 -0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 1h67 h THR 118 CO -0.31 0.26 0.41 -0.61 0.37 0.00 0.00 175.52 175.64 1h67 h GLN 119 N 1.33 0.62 -0.28 6.66 5.75 -1.99 -1.10 115.11 126.10 1h67 h GLN 119 Ca 0.35 -0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.85 1h67 h GLN 119 Cb -0.10 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.28 1h67 h GLN 119 CO -0.07 0.41 0.04 0.28 -2.65 0.00 0.00 178.83 176.84 1h67 h VAL 120 N 0.64 0.86 -0.15 2.39 2.07 -1.51 -0.60 116.25 119.95 1h67 h VAL 120 Ca 0.26 -0.05 -0.20 0.00 0.82 0.00 0.00 66.70 67.53 1h67 h VAL 120 Cb 0.22 0.70 0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1h67 h VAL 120 CO -0.08 0.03 -0.68 1.56 0.02 0.00 0.00 177.57 178.42 1h67 h GLN 121 N 0.14 0.73 -0.64 1.57 4.20 -1.48 -3.15 115.11 116.48 1h67 h GLN 121 Ca 0.13 -0.58 0.07 0.00 0.06 0.00 0.00 58.65 58.33 1h67 h GLN 121 Cb 0.14 0.12 -0.06 0.00 0.30 0.00 0.00 27.48 27.98 1h67 h GLN 121 CO -0.18 1.19 0.32 0.77 -0.67 0.00 0.00 178.83 180.26 1h67 h SER 122 N 0.43 0.42 -0.66 1.46 0.02 -0.98 -1.91 113.55 112.34 1h67 h SER 122 Ca -0.04 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1h67 h SER 122 Cb 1.31 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.80 1h67 h SER 122 CO 0.14 0.26 0.42 0.74 -1.14 0.00 0.00 176.83 177.25 1h67 h THR 123 N 0.57 1.18 -0.57 -2.27 2.02 -1.15 -2.54 112.91 110.14 1h67 h THR 123 Ca 0.30 -0.37 0.05 0.00 0.77 0.00 0.00 66.41 67.16 1h67 h THR 123 Cb 0.27 0.24 -0.05 0.00 -1.74 0.00 0.00 68.15 66.88 1h67 h THR 123 CO -0.23 0.18 0.31 -0.07 0.37 0.00 0.00 175.52 176.08 1h67 h LEU 124 N 0.89 0.47 -0.67 2.58 3.38 -1.32 -1.63 115.31 119.01 1h67 h LEU 124 Ca 0.24 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.25 1h67 h LEU 124 Cb -0.06 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1h67 h LEU 124 CO -0.05 0.32 0.42 0.40 0.09 0.00 0.00 178.44 179.62 1h67 h ILE 125 N 0.60 1.12 -0.48 1.22 2.04 -1.06 -2.16 117.51 118.79 1h67 h ILE 125 Ca 0.25 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1h67 h ILE 125 Cb 0.13 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 1h67 h ILE 125 CO -0.15 0.15 0.27 0.00 0.00 0.00 0.00 178.15 178.42 1h67 h ALA 126 N 1.27 0.62 -0.35 1.87 0.00 -1.02 -2.36 119.26 119.30 1h67 h ALA 126 Ca 0.26 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1h67 h ALA 126 Cb -0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1h67 h ALA 126 CO -0.09 0.14 0.23 1.25 0.00 0.00 0.00 179.25 180.78 1h67 h LEU 127 N 0.64 0.36 -0.93 0.00 5.85 -0.93 -2.08 115.31 118.23 1h67 h LEU 127 Ca 0.17 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.98 1h67 h LEU 127 Cb 0.05 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 40.91 1h67 h LEU 127 CO -0.03 0.26 0.57 0.00 -0.34 0.00 0.00 178.44 178.90 1h67 h ALA 128 N 1.79 1.35 -0.88 1.25 0.00 -0.84 -0.34 119.26 121.59 1h67 h ALA 128 Ca 0.13 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.17 1h67 h ALA 128 Cb 0.02 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.55 1h67 h ALA 128 CO -0.03 0.21 0.57 0.77 0.00 0.00 0.00 179.25 180.77 1h67 h SER 129 N 0.94 0.75 -0.07 0.00 0.02 -1.39 -2.05 113.55 111.75 1h67 h SER 129 Ca 0.44 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.41 1h67 h SER 129 Cb 0.38 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 1h67 h SER 129 CO -0.24 0.43 -0.00 1.56 -1.14 0.00 0.00 176.83 177.43 1h67 h GLN 130 N 0.83 0.12 -2.00 3.45 7.50 -1.15 -3.09 115.11 120.76 1h67 h GLN 130 Ca 0.42 -0.04 -0.00 0.00 0.50 0.00 0.00 58.65 59.52 1h67 h GLN 130 Cb 0.48 -0.01 -0.00 0.00 0.05 0.00 0.00 27.48 28.00 1h67 h GLN 130 CO -0.18 0.41 -0.00 0.00 -1.50 0.00 0.00 178.83 177.55 1h67 n ALA 131 N -2.29 3.79 -0.10 3.87 0.00 -0.78 -4.28 120.51 120.73 1h67 n ALA 131 Ca -0.07 -0.02 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 1h67 n ALA 131 Cb 0.20 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 18.50 1h67 n ALA 131 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1h67 h LYS 132 N 1.31 0.62 0.00 0.00 2.10 -1.49 -3.43 116.57 115.68 1h67 h LYS 132 Ca 0.00 -0.28 -0.05 0.00 -2.00 0.00 0.00 60.65 58.33 1h67 h LYS 132 Cb 0.91 -0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 32.18 1h67 h LYS 132 CO 0.00 0.86 -0.00 -2.37 -2.00 0.00 0.00 179.45 175.94 1h67 n THR 133 N -4.40 0.00 0.06 0.07 5.66 -1.26 -5.14 114.28 109.26 1h67 n THR 133 Ca -0.03 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 60.66 1h67 n THR 133 Cb 0.38 0.60 0.03 0.00 -1.55 0.00 0.00 70.33 69.79 1h67 n THR 133 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31