#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 0.77 0.00 3.17 0.13 -2.04 -3.48 132.00 130.56 1h67 h PRO 28 Ca 0.00 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1h67 h PRO 28 Cb 0.00 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.00 1h67 h PRO 28 CO 0.00 0.66 0.00 0.94 -0.23 0.00 0.00 178.00 179.37 1h67 n GLN 29 N -4.55 0.00 0.00 0.86 -0.06 -1.26 -5.00 117.38 107.37 1h67 n GLN 29 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.02 1h67 n GLN 29 Cb 0.14 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.32 1h67 n GLN 29 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 1h67 n THR 30 N 0.00 0.00 0.00 1.69 -1.04 -1.26 -5.03 114.28 108.64 1h67 n THR 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1h67 n THR 30 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1h67 n THR 30 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1h67 n GLU 31 N -1.65 0.00 -0.07 -2.82 -0.00 -1.26 -4.75 120.64 110.09 1h67 n GLU 31 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.16 57.07 1h67 n GLU 31 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 31.44 31.42 1h67 n GLU 31 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1h67 h ARG 32 N 0.00 0.33 -0.27 3.44 2.43 -2.01 -2.53 114.38 115.78 1h67 h ARG 32 Ca 0.00 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 1h67 h ARG 32 Cb 0.00 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1h67 h ARG 32 CO 0.00 0.22 -0.22 0.37 -1.51 0.00 0.00 179.97 178.83 1h67 h GLN 33 N 0.34 0.51 -0.83 0.20 4.15 -1.94 -3.05 115.11 114.49 1h67 h GLN 33 Ca 0.10 -0.18 0.16 0.00 0.77 0.00 0.00 58.65 59.50 1h67 h GLN 33 Cb -0.03 -0.04 -0.10 0.00 0.21 0.00 0.00 27.48 27.53 1h67 h GLN 33 CO -0.03 0.69 0.37 -0.07 -1.93 0.00 0.00 178.83 177.86 1h67 h LEU 34 N 0.45 0.38 0.15 -2.39 3.38 -1.81 0.03 115.31 115.50 1h67 h LEU 34 Ca 0.07 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1h67 h LEU 34 Cb 0.63 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1h67 h LEU 34 CO 0.04 0.12 -0.07 0.03 0.09 0.00 0.00 178.44 178.65 1h67 h ARG 35 N 0.50 -0.20 -1.04 1.13 3.08 -1.45 -2.72 114.38 113.68 1h67 h ARG 35 Ca 0.47 0.01 0.26 0.00 0.07 0.00 0.00 59.98 60.80 1h67 h ARG 35 Cb 0.75 0.04 -0.10 0.00 0.08 0.00 0.00 29.97 30.74 1h67 h ARG 35 CO -0.42 -0.13 0.65 0.28 -1.07 0.00 0.00 179.97 179.28 1h67 h VAL 36 N -0.25 0.52 0.00 2.04 2.07 -1.59 0.67 116.25 119.71 1h67 h VAL 36 Ca -0.02 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1h67 h VAL 36 Cb 0.16 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1h67 h VAL 36 CO 0.03 0.08 0.00 1.87 0.02 0.00 0.00 177.57 179.58 1h67 n TRP 37 N -4.71 0.00 -0.19 1.57 -0.00 -0.01 -2.71 117.44 111.39 1h67 n TRP 37 Ca 0.26 0.00 -0.08 0.00 -0.00 0.00 0.00 57.50 57.68 1h67 n TRP 37 Cb 0.85 -0.19 0.02 0.00 -0.00 0.00 0.00 31.31 31.98 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 1.21 -0.91 5.87 2.04 -1.38 -2.89 117.51 121.45 1h67 h ILE 38 Ca 0.00 -0.64 0.20 0.00 1.00 0.00 0.00 64.86 65.42 1h67 h ILE 38 Cb 0.00 0.63 -0.11 0.00 -0.74 0.00 0.00 36.82 36.60 1h67 h ILE 38 CO 0.00 0.25 0.47 -0.33 0.00 0.00 0.00 178.15 178.53 1h67 h GLU 39 N 0.72 0.53 -0.51 2.37 5.08 -1.00 0.14 114.58 121.90 1h67 h GLU 39 Ca 0.18 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1h67 h GLU 39 Cb 0.17 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1h67 h GLU 39 CO -0.02 0.35 0.04 0.78 -1.00 0.00 0.00 179.01 179.16 1h67 h GLY 40 N 0.54 0.91 0.60 -3.84 0.00 -1.30 0.45 103.07 100.43 1h67 h GLY 40 Ca 0.55 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1h67 h GLY 40 CO -0.45 0.55 -0.39 0.00 0.00 0.00 0.00 176.54 176.24 1h67 h ALA 41 N 1.25 -0.86 0.01 3.60 0.00 -0.65 -3.36 119.26 119.26 1h67 h ALA 41 Ca 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1h67 h ALA 41 Cb 0.42 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1h67 h ALA 41 CO 0.01 -1.02 -0.01 1.79 0.00 0.00 0.00 179.25 180.03 1h67 h THR 42 N -0.81 0.00 0.00 0.00 1.35 -1.49 -3.50 112.91 108.46 1h67 h THR 42 Ca -0.03 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1h67 h THR 42 Cb 0.72 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.14 1h67 h THR 42 CO -0.06 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.82 1h67 n GLY 43 N 1.81 2.32 3.71 5.82 0.00 0.14 -5.12 105.19 113.88 1h67 n GLY 43 Ca -0.00 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 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 4.23 -0.48 1.61 1.81 -1.25 -4.86 118.95 120.02 1h67 s ARG 44 Ca 0.00 2.29 -0.01 0.00 -1.72 0.00 0.00 55.73 56.30 1h67 s ARG 44 Cb 0.00 -3.30 0.36 0.00 -0.45 0.00 0.00 34.95 31.55 1h67 s ARG 44 CO 0.00 -0.61 1.98 0.54 -0.68 0.00 0.00 175.30 176.53 1h67 n ARG 45 N 4.46 2.21 -3.68 3.54 5.12 -1.26 -4.49 116.66 122.57 1h67 n ARG 45 Ca 0.14 -2.42 -0.29 0.00 -1.93 0.00 0.00 57.85 53.35 1h67 n ARG 45 Cb 0.40 -1.95 0.01 0.00 -1.16 0.00 0.00 32.46 29.76 1h67 n ARG 45 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1h67 n ILE 46 N -0.36 -3.29 -0.59 0.55 5.41 -1.26 -4.69 119.36 115.13 1h67 n ILE 46 Ca 0.47 0.01 -0.07 0.00 1.00 0.00 0.00 62.75 64.16 1h67 n ILE 46 Cb 0.72 -2.96 -0.10 0.00 -0.71 0.00 0.00 39.64 36.60 1h67 n ILE 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1h67 n GLY 47 N -1.19 2.18 0.00 7.39 0.00 -1.26 -4.69 105.19 107.62 1h67 n GLY 47 Ca -0.25 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 2.67 0.17 -4.76 1.61 5.75 -1.26 -5.14 116.55 115.59 1h67 n ASP 48 Ca 0.25 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.62 1h67 n ASP 48 Cb 0.54 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.61 1h67 n ASP 48 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1h67 s ASN 49 N 2.00 6.85 0.11 -1.12 3.04 -1.26 -4.90 114.94 119.66 1h67 s ASN 49 Ca 0.00 2.58 -0.21 0.00 0.04 0.00 0.00 52.86 55.28 1h67 s ASN 49 Cb 0.00 -2.64 -0.10 0.00 -1.54 0.00 0.00 41.25 36.98 1h67 s ASN 49 CO 0.00 -0.50 1.75 0.15 -3.04 0.00 0.00 177.10 175.46 1h67 h PHE 50 N 3.91 0.18 0.01 0.43 3.57 -1.99 0.25 116.94 123.30 1h67 h PHE 50 Ca -0.48 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.02 1h67 h PHE 50 Cb 1.22 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.90 1h67 h PHE 50 CO 0.58 0.14 -0.01 0.52 -2.23 0.00 0.00 178.31 177.31 1h67 h MET 51 N 0.17 -0.02 -1.01 1.11 0.00 -1.99 -3.25 114.93 109.94 1h67 h MET 51 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 59.70 59.82 1h67 h MET 51 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 31.60 31.54 1h67 h MET 51 CO -0.01 0.71 0.65 0.22 0.00 0.00 0.00 176.91 178.48 1h67 h ASP 52 N -0.77 1.05 -0.86 1.22 1.82 -1.94 -1.42 116.42 115.53 1h67 h ASP 52 Ca -0.00 0.01 0.11 0.00 -0.39 0.00 0.00 57.03 56.76 1h67 h ASP 52 Cb 0.73 -0.22 -0.06 0.00 0.68 0.00 0.00 39.33 40.46 1h67 h ASP 52 CO 0.00 0.67 0.55 1.23 -1.61 0.00 0.00 179.24 180.09 1h67 h GLY 53 N 1.19 1.17 1.95 -0.78 0.00 -0.59 0.15 103.07 106.16 1h67 h GLY 53 Ca 0.43 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 47.31 1h67 h GLY 53 CO -0.17 0.15 -0.60 1.41 0.00 0.00 0.00 176.54 177.33 1h67 h LEU 54 N 0.76 0.06 -0.46 3.11 3.38 -1.30 -3.26 115.31 117.60 1h67 h LEU 54 Ca 0.41 -0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.43 1h67 h LEU 54 Cb 0.54 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.19 1h67 h LEU 54 CO -0.17 0.65 -0.05 0.11 0.09 0.00 0.00 178.44 179.06 1h67 h LYS 55 N 0.04 0.06 -0.17 1.13 1.57 -0.62 0.44 116.57 119.02 1h67 h LYS 55 Ca -0.01 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1h67 h LYS 55 Cb 1.07 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1h67 h LYS 55 CO 0.08 0.04 0.11 0.38 -0.57 0.00 0.00 179.45 179.49 1h67 h ASP 56 N 0.06 0.20 -4.39 0.86 3.04 -1.59 -3.45 116.42 111.15 1h67 h ASP 56 Ca 0.23 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 54.01 1h67 h ASP 56 Cb 0.34 -0.05 -0.07 0.00 -1.04 0.00 0.00 39.33 38.51 1h67 h ASP 56 CO -0.42 0.14 -1.04 0.61 -2.04 0.00 0.00 179.24 176.50 1h67 n GLY 57 N -1.51 -4.81 2.20 7.15 0.00 0.15 -4.31 105.19 104.06 1h67 n GLY 57 Ca -0.00 0.83 0.00 0.00 0.00 0.00 0.00 46.02 46.85 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 1.28 0.00 -0.11 1.61 0.31 -1.26 -4.77 118.33 115.39 1h67 n VAL 58 Ca -0.22 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 63.99 1h67 n VAL 58 Cb 0.34 -0.10 -0.03 0.00 -0.91 0.00 0.00 33.84 33.14 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 -0.39 2.52 5.03 -1.96 -1.07 117.51 122.93 1h67 h ILE 59 Ca 0.00 -1.22 -0.00 0.00 -0.12 0.00 0.00 64.86 63.52 1h67 h ILE 59 Cb 0.00 1.39 -0.02 0.00 -3.03 0.00 0.00 36.82 35.16 1h67 h ILE 59 CO 0.00 0.39 0.23 -0.07 -0.68 0.00 0.00 178.15 178.02 1h67 h LEU 60 N 0.43 0.47 -0.86 1.44 3.38 -1.94 0.64 115.31 118.87 1h67 h LEU 60 Ca 0.08 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1h67 h LEU 60 Cb 0.65 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1h67 h LEU 60 CO 0.04 0.40 0.53 0.00 0.09 0.00 0.00 178.44 179.50 1h67 h GLU 62 N 1.18 0.08 0.10 0.00 5.08 -0.57 -2.96 114.58 117.50 1h67 h GLU 62 Ca 0.31 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1h67 h GLU 62 Cb -0.06 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1h67 h GLU 62 CO -0.06 0.50 -0.05 1.25 -1.00 0.00 0.00 179.01 179.65 1h67 h LEU 63 N 0.07 -0.12 -1.11 1.33 7.12 0.16 -3.22 115.31 119.55 1h67 h LEU 63 Ca 0.00 -0.33 0.05 0.00 0.13 0.00 0.00 57.88 57.73 1h67 h LEU 63 Cb 0.78 0.03 -0.06 0.00 -0.53 0.00 0.00 40.66 40.89 1h67 h LEU 63 CO 0.06 0.29 0.61 -0.29 -0.13 0.00 0.00 178.44 178.97 1h67 h ILE 64 N -0.55 1.11 -0.69 4.05 6.09 -1.11 -0.49 117.51 125.92 1h67 h ILE 64 Ca -0.01 -0.38 0.20 0.00 -1.37 0.00 0.00 64.86 63.29 1h67 h ILE 64 Cb 0.44 -0.10 -0.03 0.00 0.47 0.00 0.00 36.82 37.61 1h67 h ILE 64 CO 0.02 0.20 0.59 0.78 -3.07 0.00 0.00 178.15 176.68 1h67 h ASN 65 N 1.11 0.00 0.01 2.19 2.35 -1.52 0.80 115.58 120.52 1h67 h ASN 65 Ca 0.39 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.14 1h67 h ASN 65 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1h67 h ASN 65 CO -0.14 0.00 -0.00 0.11 -1.65 0.00 0.00 177.43 175.75 1h67 h LYS 66 N 0.00 -0.01 0.30 0.81 1.79 -1.16 -3.33 116.57 114.97 1h67 h LYS 66 Ca 0.33 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.78 1h67 h LYS 66 Cb 1.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.16 1h67 h LYS 66 CO -0.00 0.55 -0.14 -0.07 -1.08 0.00 0.00 179.45 178.71 1h67 h LEU 67 N -0.58 -0.34 -8.44 2.94 3.38 -0.81 -3.43 115.31 108.03 1h67 h LEU 67 Ca -0.00 -0.13 -0.68 0.00 0.09 0.00 0.00 57.88 57.16 1h67 h LEU 67 Cb 0.57 0.09 -0.25 0.00 0.09 0.00 0.00 40.66 41.16 1h67 h LEU 67 CO 0.00 0.14 -0.58 -1.58 0.09 0.00 0.00 178.44 176.51 1h67 s GLN 68 N -3.30 3.12 0.21 1.13 0.74 0.25 -5.07 119.66 116.75 1h67 s GLN 68 Ca -0.09 -0.85 -0.32 0.00 0.05 0.00 0.00 55.36 54.14 1h67 s GLN 68 Cb 0.01 -3.50 -0.14 0.00 1.10 0.00 0.00 33.01 30.47 1h67 s GLN 68 CO 0.32 -0.48 1.43 -2.30 -0.55 0.00 0.00 175.29 173.71 1h67 n PRO 69 N 4.93 1.98 -3.63 1.67 -0.02 -1.25 -2.94 135.00 135.74 1h67 n PRO 69 Ca -0.14 0.71 -0.21 0.00 -2.02 0.00 0.00 63.50 61.84 1h67 n PRO 69 Cb 0.48 -2.38 0.05 0.00 -0.02 0.00 0.00 33.50 31.63 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 2.42 -0.36 0.08 -1.23 0.00 -1.26 -4.94 105.19 99.90 1h67 n GLY 70 Ca 0.13 0.14 -0.16 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.99 0.00 -0.70 1.61 0.02 -1.84 -3.42 113.55 107.23 1h67 h SER 71 Ca -0.60 -0.85 -0.31 0.00 -0.84 0.00 0.00 61.79 59.19 1h67 h SER 71 Cb 1.36 0.00 -0.34 0.00 0.14 0.00 0.00 62.40 63.55 1h67 h SER 71 CO 0.56 1.14 -1.00 0.52 -1.14 0.00 0.00 176.83 176.91 1h67 n VAL 72 N -4.56 0.80 -0.24 2.27 0.31 -1.26 -4.70 118.33 110.95 1h67 n VAL 72 Ca -0.16 -2.67 -0.03 0.00 -0.01 0.00 0.00 64.34 61.47 1h67 n VAL 72 Cb 0.54 0.82 0.08 0.00 -0.91 0.00 0.00 33.84 34.37 1h67 n VAL 72 CO 0.00 0.00 0.00 0.06 -1.32 0.00 0.00 176.83 175.57 1h67 h GLN 73 N 2.69 0.78 -1.98 5.55 3.07 -1.88 -2.44 115.11 120.89 1h67 h GLN 73 Ca -0.15 -0.05 -0.08 0.00 0.09 0.00 0.00 58.65 58.46 1h67 h GLN 73 Cb 1.22 -0.17 -0.03 0.00 0.08 0.00 0.00 27.48 28.57 1h67 h GLN 73 CO 0.33 0.51 -0.10 1.63 0.09 0.00 0.00 178.83 181.29 1h67 n LYS 74 N -4.70 1.36 -1.83 0.06 5.02 -1.26 -4.92 118.16 111.88 1h67 n LYS 74 Ca 0.08 -0.40 -0.42 0.00 -2.02 0.00 0.00 58.31 55.54 1h67 n LYS 74 Cb 0.11 -1.34 -0.03 0.00 -0.02 0.00 0.00 35.03 33.75 1h67 n LYS 74 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1h67 s VAL 75 N 0.18 2.93 0.06 -0.18 0.11 -0.92 -4.98 120.40 117.60 1h67 s VAL 75 Ca 0.22 0.31 -0.19 0.00 -2.93 0.00 0.00 61.98 59.39 1h67 s VAL 75 Cb 0.11 -3.20 -0.06 0.00 -1.53 0.00 0.00 36.38 31.70 1h67 s VAL 75 CO -0.00 -0.01 0.56 0.20 -3.33 0.00 0.00 175.10 172.52 1h67 s ASN 76 N 2.86 7.04 0.13 3.54 0.01 -1.26 -5.03 114.94 122.23 1h67 s ASN 76 Ca 0.78 1.24 -0.31 0.00 -0.71 0.00 0.00 52.86 53.85 1h67 s ASN 76 Cb -0.41 -2.35 -0.10 0.00 0.41 0.00 0.00 41.25 38.79 1h67 s ASN 76 CO 0.35 0.26 1.70 -0.62 -1.51 0.00 0.00 177.10 177.27 1h67 s ASP 77 N -1.02 6.51 0.00 -1.22 -1.08 -1.26 -4.78 116.67 113.82 1h67 s ASP 77 Ca 0.29 2.65 -0.01 0.00 -0.52 0.00 0.00 52.55 54.96 1h67 s ASP 77 Cb -0.19 -2.58 -0.04 0.00 -1.46 0.00 0.00 42.92 38.65 1h67 s ASP 77 CO 0.18 -0.92 1.26 -0.81 0.52 0.00 0.00 175.17 175.40 1h67 n PRO 78 N 5.03 0.61 0.01 4.34 -0.04 -1.26 -4.25 135.00 139.45 1h67 n PRO 78 Ca 0.16 -0.15 -0.11 0.00 -0.04 0.00 0.00 63.50 63.36 1h67 n PRO 78 Cb 0.39 -1.42 -0.09 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 1.86 1.08 0.00 0.52 2.07 -1.97 -3.45 116.25 116.36 1h67 h VAL 79 Ca 0.03 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.20 1h67 h VAL 79 Cb 0.54 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1h67 h VAL 79 CO 0.12 0.29 0.00 0.00 0.02 0.00 0.00 177.57 178.01 1h67 n GLN 80 N -4.85 0.00 0.00 1.57 1.13 -1.26 -5.07 117.38 108.90 1h67 n GLN 80 Ca -0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 1h67 n GLN 80 Cb 0.29 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.64 1h67 n GLN 80 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1h67 n ASN 81 N 0.00 0.00 0.25 1.08 3.02 -1.26 -4.85 115.26 113.50 1h67 n ASN 81 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.66 1h67 n ASN 81 Cb 0.00 0.05 0.67 0.00 -0.61 0.00 0.00 39.78 39.88 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 -0.58 3.10 5.08 -1.98 -2.72 115.95 118.85 1h67 h TRP 82 Ca 0.00 0.00 0.07 0.00 1.08 0.00 0.00 58.89 60.04 1h67 h TRP 82 Cb 0.00 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.10 1h67 h TRP 82 CO 0.00 0.15 0.27 0.45 -1.28 0.00 0.00 178.44 178.02 1h67 h HIS 83 N 0.00 0.48 -0.61 0.12 3.86 -1.88 -1.67 115.15 115.44 1h67 h HIS 83 Ca -0.00 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.26 1h67 h HIS 83 Cb 0.39 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.69 1h67 h HIS 83 CO 0.00 0.19 0.38 0.87 0.86 0.00 0.00 177.93 180.23 1h67 h LYS 84 N 0.50 0.73 -0.55 2.45 1.57 -1.67 -1.64 116.57 117.96 1h67 h LYS 84 Ca 0.27 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 59.07 1h67 h LYS 84 Cb 0.25 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1h67 h LYS 84 CO -0.22 0.48 0.36 -0.07 -0.57 0.00 0.00 179.45 179.43 1h67 h LEU 85 N 0.75 0.42 0.03 2.94 3.38 -1.38 -0.19 115.31 121.27 1h67 h LEU 85 Ca 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1h67 h LEU 85 Cb 0.01 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1h67 h LEU 85 CO -0.10 0.28 -0.02 -0.08 0.09 0.00 0.00 178.44 178.61 1h67 h GLU 86 N 0.48 -0.04 -0.87 1.13 4.57 -0.69 -1.43 114.58 117.74 1h67 h GLU 86 Ca 0.24 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.43 1h67 h GLU 86 Cb 0.32 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.88 1h67 h GLU 86 CO -0.07 0.49 0.57 -0.91 -1.18 0.00 0.00 179.01 177.92 1h67 h ASN 87 N -0.61 0.99 -0.41 1.04 2.35 -1.03 -1.49 115.58 116.42 1h67 h ASN 87 Ca -0.00 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 1h67 h ASN 87 Cb 0.56 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 1h67 h ASN 87 CO 0.01 0.71 0.02 0.40 -1.65 0.00 0.00 177.43 176.92 1h67 h ILE 88 N 1.16 1.26 -0.11 2.81 2.04 -1.08 -1.94 117.51 121.65 1h67 h ILE 88 Ca 0.32 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 1h67 h ILE 88 Cb -0.12 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1h67 h ILE 88 CO -0.07 0.34 0.07 1.23 0.00 0.00 0.00 178.15 179.71 1h67 h GLY 89 N 0.55 0.16 0.98 5.37 0.00 -0.85 -1.51 103.07 107.78 1h67 h GLY 89 Ca 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 1h67 h GLY 89 CO 0.02 0.07 0.22 3.43 0.00 0.00 0.00 176.54 180.28 1h67 h ASN 90 N 0.11 0.76 -0.12 0.19 2.35 -1.28 -0.73 115.58 116.85 1h67 h ASN 90 Ca 0.04 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1h67 h ASN 90 Cb 0.04 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1h67 h ASN 90 CO -0.01 0.72 0.08 0.15 -1.65 0.00 0.00 177.43 176.72 1h67 h PHE 91 N 0.75 0.16 -0.03 1.19 3.57 -1.23 -1.31 116.94 120.04 1h67 h PHE 91 Ca 0.18 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1h67 h PHE 91 Cb 0.20 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 1h67 h PHE 91 CO 0.01 0.14 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.13 1h67 h LEU 92 N 0.14 0.06 -1.09 0.59 3.38 -1.21 -1.89 115.31 115.30 1h67 h LEU 92 Ca 0.04 -0.44 0.08 0.00 0.09 0.00 0.00 57.88 57.65 1h67 h LEU 92 Cb 0.02 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 1h67 h LEU 92 CO -0.01 0.49 0.62 0.08 0.09 0.00 0.00 178.44 179.71 1h67 h ARG 93 N -0.36 1.02 -0.24 1.13 0.11 -1.14 0.25 114.38 115.15 1h67 h ARG 93 Ca 0.01 -0.06 -0.05 0.00 0.10 0.00 0.00 59.98 59.97 1h67 h ARG 93 Cb 0.47 -0.23 -0.01 0.00 1.11 0.00 0.00 29.97 31.31 1h67 h ARG 93 CO 0.00 0.67 -0.05 0.00 0.10 0.00 0.00 179.97 180.70 1h67 h ALA 94 N 1.50 0.32 -0.25 0.08 0.00 -1.20 -2.83 119.26 116.89 1h67 h ALA 94 Ca 0.43 -0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.89 1h67 h ALA 94 Cb 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1h67 h ALA 94 CO -0.18 0.11 -0.58 -0.84 0.00 0.00 0.00 179.25 177.76 1h67 h ILE 95 N 0.19 1.29 -0.92 0.00 3.07 -0.76 0.36 117.51 120.74 1h67 h ILE 95 Ca 0.06 -1.79 0.05 0.00 1.55 0.00 0.00 64.86 64.74 1h67 h ILE 95 Cb 0.51 1.71 -0.06 0.00 -0.27 0.00 0.00 36.82 38.71 1h67 h ILE 95 CO 0.02 0.57 0.59 0.11 -1.05 0.00 0.00 178.15 178.39 1h67 h LYS 96 N 0.60 1.06 0.08 0.16 1.57 -0.55 -2.26 116.57 117.22 1h67 h LYS 96 Ca 0.00 -0.06 -0.30 0.00 -1.87 0.00 0.00 60.65 58.42 1h67 h LYS 96 Cb 1.18 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 1h67 h LYS 96 CO 0.12 0.70 -1.57 1.25 -0.57 0.00 0.00 179.45 179.39 1h67 h HIS 97 N 1.09 0.30 -0.78 -1.35 2.76 -1.48 -3.36 115.15 112.34 1h67 h HIS 97 Ca 0.39 -0.22 0.15 0.00 -2.20 0.00 0.00 60.37 58.48 1h67 h HIS 97 Cb 0.11 -0.01 -0.10 0.00 1.55 0.00 0.00 27.41 28.97 1h67 h HIS 97 CO -0.02 1.30 0.33 -0.92 -1.30 0.00 0.00 177.93 177.32 1h67 h TYR 98 N 0.05 0.56 0.00 5.26 3.20 0.14 -3.45 116.97 122.72 1h67 h TYR 98 Ca -0.25 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.66 1h67 h TYR 98 Cb 1.99 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 40.13 1h67 h TYR 98 CO 0.04 0.07 0.00 0.41 -1.64 0.00 0.00 178.16 177.05 1h67 n GLY 99 N -1.33 0.41 3.69 1.82 0.00 -0.89 -5.06 105.19 103.83 1h67 n GLY 99 Ca 0.15 -0.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 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 0.15 -2.18 1.61 0.31 -1.00 -4.93 118.33 112.29 1h67 n VAL 100 Ca 0.00 -0.03 -0.41 0.00 -0.01 0.00 0.00 64.34 63.90 1h67 n VAL 100 Cb 0.00 -1.88 -0.02 0.00 -0.91 0.00 0.00 33.84 31.03 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 1.75 4.40 0.32 5.55 1.02 -1.26 -4.06 119.74 127.46 1h67 s LYS 101 Ca 0.80 2.14 0.05 0.00 0.02 0.00 0.00 55.97 58.98 1h67 s LYS 101 Cb -0.57 -3.10 0.69 0.00 -0.52 0.00 0.00 37.83 34.33 1h67 s LYS 101 CO 0.37 -0.13 1.84 -1.35 -0.92 0.00 0.00 175.35 175.16 1h67 h PRO 102 N 3.56 0.82 -0.22 -1.68 0.11 -1.91 0.93 132.00 133.61 1h67 h PRO 102 Ca -0.48 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 65.64 1h67 h PRO 102 Cb 1.22 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1h67 h PRO 102 CO 0.66 0.54 0.22 0.45 -0.21 0.00 0.00 178.00 179.67 1h67 h HIS 103 N 0.84 0.00 -0.77 0.65 3.86 -2.00 0.14 115.15 117.87 1h67 h HIS 103 Ca 0.49 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 59.18 1h67 h HIS 103 Cb 0.63 0.00 -0.30 0.00 1.06 0.00 0.00 27.41 28.80 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 -3.89 5.32 -3.73 2.45 8.00 0.31 -4.94 116.55 120.08 1h67 n ASP 104 Ca 0.02 -3.77 -0.12 0.00 0.71 0.00 0.00 54.79 51.63 1h67 n ASP 104 Cb 0.36 -0.66 -0.13 0.00 -0.02 0.00 0.00 41.12 40.67 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 -4.32 -0.04 0.35 0.53 1.01 0.48 -3.87 121.20 115.34 1h67 s ILE 105 Ca 0.55 0.14 -0.27 0.00 0.00 0.00 0.00 60.65 61.07 1h67 s ILE 105 Cb 0.45 -0.37 -0.09 0.00 0.01 0.00 0.00 42.46 42.46 1h67 s ILE 105 CO 0.02 0.06 1.15 0.72 0.00 0.00 0.00 174.94 176.89 1h67 s PHE 106 N 1.21 3.27 0.42 3.97 -0.12 -1.25 -4.91 117.98 120.57 1h67 s PHE 106 Ca -0.09 1.59 -0.13 0.00 -0.05 0.00 0.00 56.93 58.26 1h67 s PHE 106 Cb -0.10 -3.37 -0.07 0.00 -0.63 0.00 0.00 43.02 38.85 1h67 s PHE 106 CO -0.08 -1.05 0.82 -2.00 -0.05 0.00 0.00 175.22 172.86 1h67 s GLU 107 N -1.94 3.87 0.29 1.99 2.12 -1.26 -4.91 118.70 118.86 1h67 s GLU 107 Ca 0.51 0.64 0.04 0.00 0.36 0.00 0.00 54.97 56.52 1h67 s GLU 107 Cb -0.32 -2.33 0.75 0.00 0.26 0.00 0.00 34.13 32.50 1h67 s GLU 107 CO 0.41 -0.06 1.69 0.00 -0.54 0.00 0.00 175.26 176.75 1h67 h ALA 108 N 1.34 1.45 -0.40 6.30 0.00 -1.95 0.11 119.26 126.11 1h67 h ALA 108 Ca -0.47 0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1h67 h ALA 108 Cb 1.18 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1h67 h ALA 108 CO 0.63 -0.38 -0.21 -0.91 0.00 0.00 0.00 179.25 178.39 1h67 h ASN 109 N 0.37 0.81 0.12 0.00 2.35 -1.98 -1.72 115.58 115.52 1h67 h ASN 109 Ca 0.57 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 56.03 1h67 h ASN 109 Cb 1.11 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.26 1h67 h ASN 109 CO -0.55 1.00 -0.06 0.44 -1.65 0.00 0.00 177.43 176.60 1h67 h ASP 110 N 0.70 -0.14 -0.09 5.81 3.32 -1.16 0.13 116.42 124.98 1h67 h ASP 110 Ca 0.10 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 1h67 h ASP 110 Cb 0.72 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 1h67 h ASP 110 CO 0.06 -0.09 -0.05 0.25 -1.72 0.00 0.00 179.24 177.69 1h67 h LEU 111 N -0.18 0.20 0.14 1.55 5.85 -1.47 0.31 115.31 121.70 1h67 h LEU 111 Ca -0.02 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.29 1h67 h LEU 111 Cb 0.14 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1h67 h LEU 111 CO 0.03 0.57 -0.17 0.15 -0.34 0.00 0.00 178.44 178.68 1h67 h PHE 112 N -0.17 -0.45 0.00 1.25 3.57 -1.29 -1.51 116.94 118.33 1h67 h PHE 112 Ca 0.02 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1h67 h PHE 112 Cb 0.50 0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.42 1h67 h PHE 112 CO 0.07 -0.26 0.00 0.39 -2.23 0.00 0.00 178.31 176.28 1h67 n GLU 113 N -5.30 0.20 -2.44 1.11 -0.58 0.44 -4.89 120.64 109.19 1h67 n GLU 113 Ca -0.07 0.30 -0.18 0.00 -0.42 0.00 0.00 57.16 56.79 1h67 n GLU 113 Cb 0.21 -1.80 -0.00 0.00 -0.57 0.00 0.00 31.44 29.28 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 -2.16 -5.16 0.10 1.62 5.15 0.86 -4.92 115.26 110.73 1h67 n ASN 114 Ca 0.04 -0.06 -0.09 0.00 -0.60 0.00 0.00 54.58 53.87 1h67 n ASN 114 Cb 0.32 -4.20 -0.06 0.00 -0.53 0.00 0.00 39.78 35.31 1h67 n ASN 114 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1h67 h THR 115 N -0.22 0.48 -3.45 -0.44 1.35 -1.14 -3.43 112.91 106.05 1h67 h THR 115 Ca -0.42 -0.92 -0.60 0.00 -0.55 0.00 0.00 66.41 63.92 1h67 h THR 115 Cb 1.31 0.80 -0.10 0.00 -1.73 0.00 0.00 68.15 68.43 1h67 h THR 115 CO 0.49 0.12 0.05 0.20 -0.25 0.00 0.00 175.52 176.14 1h67 s ASN 116 N -5.27 6.61 -0.27 5.36 -0.87 -1.23 -4.95 114.94 114.32 1h67 s ASN 116 Ca -0.10 0.74 -0.13 0.00 -1.57 0.00 0.00 52.86 51.80 1h67 s ASN 116 Cb 0.01 -2.32 -0.12 0.00 -0.02 0.00 0.00 41.25 38.80 1h67 s ASN 116 CO 0.36 -0.25 -0.35 1.41 -2.57 0.00 0.00 177.10 175.70 1h67 n HIS 117 N 5.05 0.00 -0.22 2.20 8.25 -1.26 -4.14 115.22 125.10 1h67 n HIS 117 Ca -0.03 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.35 1h67 n HIS 117 Cb 0.50 -0.97 0.03 0.00 1.12 0.00 0.00 29.99 30.66 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 -0.96 1.26 -0.83 1.59 2.02 -2.00 -2.83 112.91 111.16 1h67 h THR 118 Ca -0.69 -1.00 0.04 0.00 0.77 0.00 0.00 66.41 65.53 1h67 h THR 118 Cb 1.61 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 68.70 1h67 h THR 118 CO -0.41 0.37 0.55 -0.61 0.37 0.00 0.00 175.52 175.79 1h67 h GLN 119 N 0.91 0.98 0.35 6.66 5.75 -1.99 -0.80 115.11 126.97 1h67 h GLN 119 Ca 0.18 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.61 1h67 h GLN 119 Cb 0.43 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.76 1h67 h GLN 119 CO 0.01 0.65 -0.17 0.28 -2.65 0.00 0.00 178.83 176.96 1h67 h VAL 120 N 1.01 0.67 -0.50 2.39 2.07 -1.66 -2.69 116.25 117.54 1h67 h VAL 120 Ca 0.34 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.71 1h67 h VAL 120 Cb 0.07 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1h67 h VAL 120 CO -0.10 0.02 0.16 1.56 0.02 0.00 0.00 177.57 179.22 1h67 h GLN 121 N -0.52 0.78 -0.89 1.57 4.20 -1.43 -2.81 115.11 116.01 1h67 h GLN 121 Ca -0.05 -0.17 0.18 0.00 0.06 0.00 0.00 58.65 58.67 1h67 h GLN 121 Cb 0.39 -0.11 -0.07 0.00 0.30 0.00 0.00 27.48 27.99 1h67 h GLN 121 CO 0.08 0.72 0.58 0.66 -0.67 0.00 0.00 178.83 180.20 1h67 h SER 122 N 0.68 0.50 -0.08 1.46 4.64 -1.11 -1.58 113.55 118.05 1h67 h SER 122 Ca 0.16 0.04 0.02 0.00 -0.47 0.00 0.00 61.79 61.55 1h67 h SER 122 Cb 0.27 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 1h67 h SER 122 CO -0.01 0.22 -0.07 0.74 -0.87 0.00 0.00 176.83 176.84 1h67 h THR 123 N 0.51 0.79 -0.99 2.95 2.02 -1.20 -2.19 112.91 114.80 1h67 h THR 123 Ca 0.46 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.71 1h67 h THR 123 Cb 0.99 0.79 -0.07 0.00 -1.74 0.00 0.00 68.15 68.12 1h67 h THR 123 CO -0.19 0.00 0.64 -0.07 0.37 0.00 0.00 175.52 176.27 1h67 h LEU 124 N -0.09 1.00 -0.47 2.58 4.07 -1.37 -1.41 115.31 119.62 1h67 h LEU 124 Ca 0.06 0.01 0.07 0.00 0.08 0.00 0.00 57.88 58.10 1h67 h LEU 124 Cb 0.17 -0.20 -0.06 0.00 1.08 0.00 0.00 40.66 41.66 1h67 h LEU 124 CO -0.13 0.63 0.15 0.40 -1.08 0.00 0.00 178.44 178.40 1h67 h ILE 125 N 1.13 0.82 -0.42 1.22 1.08 -1.16 -1.44 117.51 118.74 1h67 h ILE 125 Ca 0.44 -0.11 -0.09 0.00 -0.39 0.00 0.00 64.86 64.71 1h67 h ILE 125 Cb 0.22 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 34.44 1h67 h ILE 125 CO -0.18 0.06 -0.10 0.00 -0.69 0.00 0.00 178.15 177.23 1h67 h ALA 126 N 1.32 0.58 -0.36 1.87 0.00 -1.03 -2.86 119.26 118.78 1h67 h ALA 126 Ca 0.23 -0.32 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1h67 h ALA 126 Cb 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1h67 h ALA 126 CO -0.25 0.46 0.25 1.25 0.00 0.00 0.00 179.25 180.97 1h67 h LEU 127 N 0.63 0.12 -0.39 0.00 5.85 -0.71 -2.10 115.31 118.72 1h67 h LEU 127 Ca 0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1h67 h LEU 127 Cb 0.63 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1h67 h LEU 127 CO 0.04 0.08 0.25 0.00 -0.34 0.00 0.00 178.44 178.47 1h67 h ALA 128 N 1.81 0.49 -0.99 1.25 0.00 -1.04 -1.39 119.26 119.40 1h67 h ALA 128 Ca 0.17 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1h67 h ALA 128 Cb 0.49 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1h67 h ALA 128 CO -0.02 -0.04 0.65 0.66 0.00 0.00 0.00 179.25 180.50 1h67 h SER 129 N 0.52 1.15 -0.04 0.00 4.64 -1.45 -0.68 113.55 117.69 1h67 h SER 129 Ca 0.14 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1h67 h SER 129 Cb -0.04 -0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 61.76 1h67 h SER 129 CO -0.03 0.83 0.01 1.56 -0.87 0.00 0.00 176.83 178.34 1h67 h GLN 130 N 1.35 0.07 -0.89 4.77 7.50 -1.41 -2.28 115.11 124.23 1h67 h GLN 130 Ca 0.36 -0.02 0.01 0.00 0.50 0.00 0.00 58.65 59.51 1h67 h GLN 130 Cb -0.15 -0.01 -0.04 0.00 0.05 0.00 0.00 27.48 27.33 1h67 h GLN 130 CO -0.08 0.26 0.59 0.00 -1.50 0.00 0.00 178.83 178.10 1h67 h ALA 131 N 0.80 1.13 -0.28 3.87 0.00 -0.99 -1.86 119.26 121.92 1h67 h ALA 131 Ca 0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1h67 h ALA 131 Cb 0.22 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1h67 h ALA 131 CO -0.00 0.53 0.17 -0.22 0.00 0.00 0.00 179.25 179.73 1h67 h LYS 132 N 1.21 0.39 -0.52 0.00 3.64 -1.03 -2.96 116.57 117.30 1h67 h LYS 132 Ca 0.33 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 1h67 h LYS 132 Cb -0.14 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.58 1h67 h LYS 132 CO -0.07 0.31 0.25 1.79 -2.27 0.00 0.00 179.45 179.46 1h67 h THR 133 N 0.36 1.20 0.00 1.00 1.35 -1.12 -3.51 112.91 112.17 1h67 h THR 133 Ca 0.10 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1h67 h THR 133 Cb 0.02 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 67.04 1h67 h THR 133 CO -0.02 0.22 0.00 0.29 -0.25 0.00 0.00 175.52 175.76