#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h67 n PRO 28 N 0.00 2.55 -1.83 0.03 -0.02 -1.26 -4.95 135.00 129.52 1h67 n PRO 28 Ca 0.00 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1h67 n PRO 28 Cb 0.00 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 30.81 1h67 n PRO 28 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1h67 n GLN 29 N 2.23 0.02 0.00 -0.52 -0.00 -1.26 -5.08 117.38 112.78 1h67 n GLN 29 Ca 0.10 -0.07 0.00 0.00 -0.00 0.00 0.00 57.00 57.03 1h67 n GLN 29 Cb 0.35 0.10 0.00 0.00 -0.00 0.00 0.00 30.24 30.70 1h67 n GLN 29 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1h67 n THR 30 N -0.06 0.00 0.00 -0.39 -2.24 -1.26 -4.13 114.28 106.20 1h67 n THR 30 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1h67 n THR 30 Cb 0.04 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 1h67 n THR 30 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1h67 n GLU 31 N 14.00 2.36 -0.26 -0.78 0.00 -1.26 -4.85 120.64 129.85 1h67 n GLU 31 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.17 1h67 n GLU 31 Cb 0.00 -0.31 0.13 0.00 0.00 0.00 0.00 31.44 31.26 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 0.68 -0.36 3.44 2.43 -2.01 -1.52 114.38 117.04 1h67 h ARG 32 Ca 0.00 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.00 1h67 h ARG 32 Cb 0.00 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1h67 h ARG 32 CO 0.00 0.45 -0.31 1.96 -1.51 0.00 0.00 179.97 180.56 1h67 h GLN 33 N 0.70 0.79 0.09 0.20 1.08 -1.91 -2.73 115.11 113.33 1h67 h GLN 33 Ca 0.35 -0.36 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1h67 h GLN 33 Cb 0.30 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 1h67 h GLN 33 CO -0.23 0.99 -0.04 -0.07 -0.95 0.00 0.00 178.83 178.53 1h67 h LEU 34 N 0.67 -0.10 -0.23 1.46 3.38 -1.55 0.60 115.31 119.53 1h67 h LEU 34 Ca 0.07 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1h67 h LEU 34 Cb 0.85 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1h67 h LEU 34 CO 0.07 -0.05 0.12 0.08 0.09 0.00 0.00 178.44 178.75 1h67 h ARG 35 N -0.15 0.34 -0.69 1.13 0.11 -1.34 -2.11 114.38 111.67 1h67 h ARG 35 Ca -0.01 -0.05 -0.04 0.00 0.10 0.00 0.00 59.98 59.98 1h67 h ARG 35 Cb 0.11 -0.06 -0.03 0.00 1.11 0.00 0.00 29.97 31.10 1h67 h ARG 35 CO 0.02 0.33 0.25 0.28 0.10 0.00 0.00 179.97 180.96 1h67 h VAL 36 N 0.25 1.24 0.38 0.08 2.07 -1.43 -1.36 116.25 117.48 1h67 h VAL 36 Ca 0.08 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 1h67 h VAL 36 Cb 0.11 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1h67 h VAL 36 CO -0.01 0.31 -0.18 -0.25 0.02 0.00 0.00 177.57 177.46 1h67 h TRP 37 N 1.00 -0.47 0.23 1.57 7.01 -0.66 0.15 115.95 124.78 1h67 h TRP 37 Ca 0.23 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.21 1h67 h TRP 37 Cb 0.22 0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.44 1h67 h TRP 37 CO 0.02 -0.29 -0.11 0.82 -2.79 0.00 0.00 178.44 176.08 1h67 h ILE 38 N -0.56 0.78 -0.84 2.65 2.04 -1.44 -0.27 117.51 119.87 1h67 h ILE 38 Ca -0.05 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1h67 h ILE 38 Cb 0.39 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1h67 h ILE 38 CO 0.09 0.01 0.53 -0.33 0.00 0.00 0.00 178.15 178.44 1h67 h GLU 39 N -0.31 1.12 -0.27 2.37 5.08 -1.36 -2.21 114.58 118.99 1h67 h GLU 39 Ca -0.03 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 1h67 h GLU 39 Cb 0.24 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1h67 h GLU 39 CO 0.05 0.76 -0.20 0.78 -1.00 0.00 0.00 179.01 179.40 1h67 h GLY 40 N 1.15 0.53 0.00 -3.84 0.00 -0.40 0.41 103.07 100.91 1h67 h GLY 40 Ca 0.30 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1h67 h GLY 40 CO -0.06 0.37 0.00 0.00 0.00 0.00 0.00 176.54 176.85 1h67 n ALA 41 N -2.48 -0.37 0.13 3.60 0.00 -0.14 -3.95 120.51 117.30 1h67 n ALA 41 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1h67 n ALA 41 Cb 0.37 0.11 -0.16 0.00 0.00 0.00 0.00 19.45 19.77 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 1.23 -0.18 0.00 1.35 -1.65 -3.49 112.91 110.17 1h67 h THR 42 Ca 0.00 -2.70 0.00 0.00 -0.55 0.00 0.00 66.41 63.16 1h67 h THR 42 Cb 0.00 2.98 0.00 0.00 -1.73 0.00 0.00 68.15 69.40 1h67 h THR 42 CO 0.00 0.83 0.00 0.61 -0.25 0.00 0.00 175.52 176.71 1h67 n GLY 43 N 1.73 0.80 2.95 5.82 0.00 0.14 -5.12 105.19 111.52 1h67 n GLY 43 Ca -0.18 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.27 0.79 -0.08 1.61 1.81 -1.15 -5.03 118.95 116.63 1h67 s ARG 44 Ca 0.00 -0.20 -0.30 0.00 -1.72 0.00 0.00 55.73 53.51 1h67 s ARG 44 Cb 0.00 -0.77 -0.03 0.00 -0.45 0.00 0.00 34.95 33.71 1h67 s ARG 44 CO 0.00 0.04 1.20 1.03 -0.68 0.00 0.00 175.30 176.89 1h67 s ARG 45 N 0.39 4.33 0.11 3.54 1.81 -1.26 -4.56 118.95 123.30 1h67 s ARG 45 Ca -0.05 1.65 -0.28 0.00 -1.72 0.00 0.00 55.73 55.32 1h67 s ARG 45 Cb -0.09 -3.60 -0.10 0.00 -0.45 0.00 0.00 34.95 30.71 1h67 s ARG 45 CO 0.00 -0.50 1.63 0.82 -0.68 0.00 0.00 175.30 176.57 1h67 h ILE 46 N 5.13 0.36 0.00 1.52 2.04 -1.97 -3.49 117.51 121.10 1h67 h ILE 46 Ca -0.32 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1h67 h ILE 46 Cb 1.15 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1h67 h ILE 46 CO 0.90 0.00 0.00 0.61 0.00 0.00 0.00 178.15 179.66 1h67 n GLY 47 N -1.41 -0.06 3.76 5.37 0.00 -1.26 -4.90 105.19 106.70 1h67 n GLY 47 Ca -0.07 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.63 1h67 n GLY 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1h67 s ASP 48 N -4.00 7.15 1.90 1.61 1.01 -1.26 -4.77 116.67 118.31 1h67 s ASP 48 Ca 0.00 2.25 0.00 0.00 0.71 0.00 0.00 52.55 55.51 1h67 s ASP 48 Cb 0.00 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.31 1h67 s ASP 48 CO 0.00 -0.23 0.00 0.59 0.21 0.00 0.00 175.17 175.74 1h67 n ASN 49 N 0.95 0.00 0.02 0.27 4.13 -1.26 -3.30 115.26 116.07 1h67 n ASN 49 Ca -0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1h67 n ASN 49 Cb 0.45 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.69 1h67 n ASN 49 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1h67 n PHE 50 N 14.00 -2.64 -0.00 3.10 7.35 -1.26 -4.85 117.46 133.16 1h67 n PHE 50 Ca 0.00 0.12 -0.13 0.00 -0.76 0.00 0.00 57.45 56.68 1h67 n PHE 50 Cb 0.00 0.75 -0.09 0.00 0.35 0.00 0.00 39.48 40.49 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 -0.00 -0.18 -4.13 2.86 -2.00 -2.54 114.93 108.94 1h67 h MET 51 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1h67 h MET 51 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1h67 h MET 51 CO 0.00 0.37 -0.08 0.22 1.06 0.00 0.00 176.91 178.48 1h67 h ASP 52 N -0.38 0.26 -0.47 1.22 1.82 -1.93 -2.82 116.42 114.13 1h67 h ASP 52 Ca -0.00 -0.05 -0.03 0.00 -0.39 0.00 0.00 57.03 56.56 1h67 h ASP 52 Cb 0.38 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.30 1h67 h ASP 52 CO 0.00 0.38 0.17 1.23 -1.61 0.00 0.00 179.24 179.41 1h67 h GLY 53 N 0.70 0.77 1.70 -0.78 0.00 -1.51 -2.64 103.07 101.31 1h67 h GLY 53 Ca 0.06 -0.44 0.04 0.00 0.00 0.00 0.00 47.33 46.99 1h67 h GLY 53 CO 0.02 0.41 0.11 1.41 0.00 0.00 0.00 176.54 178.49 1h67 h LEU 54 N 0.62 0.00 -0.75 3.11 3.38 -1.19 -2.86 115.31 117.63 1h67 h LEU 54 Ca 0.15 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.29 1h67 h LEU 54 Cb 0.24 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.87 1h67 h LEU 54 CO -0.01 0.00 0.19 0.11 0.09 0.00 0.00 178.44 178.82 1h67 h LYS 55 N 0.00 0.26 -0.58 1.13 1.57 -1.47 -0.15 116.57 117.34 1h67 h LYS 55 Ca 0.06 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1h67 h LYS 55 Cb 0.29 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1h67 h LYS 55 CO -0.00 0.17 0.38 0.38 -0.57 0.00 0.00 179.45 179.82 1h67 h ASP 56 N 0.27 0.51 -5.18 0.86 3.04 -1.67 -3.45 116.42 110.80 1h67 h ASP 56 Ca 0.43 -0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.22 1h67 h ASP 56 Cb 0.75 -0.11 -0.02 0.00 -1.04 0.00 0.00 39.33 38.90 1h67 h ASP 56 CO -0.52 0.34 -1.10 0.61 -2.04 0.00 0.00 179.24 176.53 1h67 n GLY 57 N -1.48 -4.27 2.09 7.15 0.00 -0.07 -4.35 105.19 104.26 1h67 n GLY 57 Ca 0.08 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.78 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 0.93 0.00 -0.10 1.61 0.31 -1.26 -4.72 118.33 115.10 1h67 n VAL 58 Ca -0.07 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.12 1h67 n VAL 58 Cb 0.14 -0.24 -0.04 0.00 -0.91 0.00 0.00 33.84 32.79 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 1.30 -0.49 2.52 1.08 -1.95 -2.14 117.51 117.82 1h67 h ILE 59 Ca 0.00 -1.45 0.05 0.00 -0.39 0.00 0.00 64.86 63.07 1h67 h ILE 59 Cb 0.00 1.52 -0.05 0.00 -3.07 0.00 0.00 36.82 35.23 1h67 h ILE 59 CO 0.00 0.47 0.24 -0.07 -0.69 0.00 0.00 178.15 178.09 1h67 h LEU 60 N 0.50 0.32 -0.70 1.44 3.38 -1.95 0.28 115.31 118.59 1h67 h LEU 60 Ca 0.05 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.12 1h67 h LEU 60 Cb 0.86 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 1h67 h LEU 60 CO 0.07 0.23 0.40 0.00 0.09 0.00 0.00 178.44 179.22 1h67 h GLU 62 N 0.72 0.69 0.04 0.00 4.39 -0.45 -2.40 114.58 117.58 1h67 h GLU 62 Ca 0.32 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.88 1h67 h GLU 62 Cb 0.21 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1h67 h GLU 62 CO -0.19 0.65 -0.02 1.25 -1.16 0.00 0.00 179.01 179.54 1h67 h LEU 63 N 0.67 -0.04 -1.32 1.33 5.85 0.10 -3.17 115.31 118.73 1h67 h LEU 63 Ca 0.15 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.48 1h67 h LEU 63 Cb 0.29 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1h67 h LEU 63 CO 0.00 0.39 0.46 -0.29 -0.34 0.00 0.00 178.44 178.66 1h67 h ILE 64 N -0.48 1.18 -0.19 4.05 6.09 -0.98 -1.05 117.51 126.12 1h67 h ILE 64 Ca -0.01 -0.32 0.04 0.00 -1.37 0.00 0.00 64.86 63.21 1h67 h ILE 64 Cb 0.44 0.15 -0.01 0.00 0.47 0.00 0.00 36.82 37.88 1h67 h ILE 64 CO 0.01 0.17 0.13 0.78 -3.07 0.00 0.00 178.15 176.17 1h67 h ASN 65 N 0.94 0.04 0.11 2.19 2.35 -1.43 0.52 115.58 120.30 1h67 h ASN 65 Ca 0.26 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.00 1h67 h ASN 65 Cb -0.10 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1h67 h ASN 65 CO -0.06 0.03 -0.05 0.11 -1.65 0.00 0.00 177.43 175.81 1h67 h LYS 66 N 0.05 -0.14 0.32 0.81 1.79 -1.17 -3.35 116.57 114.89 1h67 h LYS 66 Ca 0.09 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.55 1h67 h LYS 66 Cb 0.28 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1h67 h LYS 66 CO -0.01 0.27 -0.15 -0.07 -1.08 0.00 0.00 179.45 178.41 1h67 h LEU 67 N -0.58 -0.36 -9.18 2.94 3.38 -1.25 -3.44 115.31 106.81 1h67 h LEU 67 Ca -0.01 -0.18 -0.65 0.00 0.09 0.00 0.00 57.88 57.12 1h67 h LEU 67 Cb 0.47 0.09 -0.16 0.00 0.09 0.00 0.00 40.66 41.15 1h67 h LEU 67 CO 0.02 0.06 -0.60 -1.58 0.09 0.00 0.00 178.44 176.43 1h67 s GLN 68 N -4.17 3.42 0.19 1.13 0.74 0.18 -5.09 119.66 116.06 1h67 s GLN 68 Ca -0.13 -0.39 -0.30 0.00 0.05 0.00 0.00 55.36 54.59 1h67 s GLN 68 Cb 0.01 -2.96 -0.08 0.00 1.10 0.00 0.00 33.01 31.08 1h67 s GLN 68 CO 0.48 0.51 1.22 -1.25 -0.55 0.00 0.00 175.29 175.70 1h67 s PRO 69 N -0.33 4.47 -1.36 1.67 0.04 -1.26 -3.62 135.00 134.61 1h67 s PRO 69 Ca 0.07 1.91 -0.05 0.00 0.04 0.00 0.00 61.00 62.98 1h67 s PRO 69 Cb -0.12 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.21 1h67 s PRO 69 CO 0.02 -0.12 0.86 0.41 0.04 0.00 0.00 177.00 178.22 1h67 n GLY 70 N 2.18 -0.38 0.14 0.56 0.00 -1.26 -4.91 105.19 101.52 1h67 n GLY 70 Ca 0.04 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.02 0.43 0.00 1.61 0.02 -1.86 -3.43 113.55 108.30 1h67 h SER 71 Ca -0.60 -0.50 0.00 0.00 -0.84 0.00 0.00 61.79 59.85 1h67 h SER 71 Cb 1.36 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1h67 h SER 71 CO 0.58 0.84 -0.01 0.52 -1.14 0.00 0.00 176.83 177.62 1h67 n VAL 72 N -4.50 0.00 0.00 2.27 0.31 -1.26 -4.67 118.33 110.48 1h67 n VAL 72 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1h67 n VAL 72 Cb 0.39 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 1h67 n VAL 72 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1h67 n GLN 73 N -0.99 0.00 -1.64 5.55 6.02 -1.26 -4.80 117.38 120.25 1h67 n GLN 73 Ca 0.00 0.00 -0.47 0.00 -0.01 0.00 0.00 57.00 56.52 1h67 n GLN 73 Cb 0.01 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.23 1h67 n GLN 73 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1h67 n LYS 74 N 12.99 1.80 -4.15 -1.09 2.85 -1.26 -4.97 118.16 124.33 1h67 n LYS 74 Ca 0.00 0.64 -0.34 0.00 -1.05 0.00 0.00 58.31 57.56 1h67 n LYS 74 Cb 0.00 -2.31 -0.11 0.00 -0.65 0.00 0.00 35.03 31.96 1h67 n LYS 74 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1h67 s VAL 75 N 0.30 4.31 0.02 0.58 1.01 -1.26 -5.01 120.40 120.35 1h67 s VAL 75 Ca 0.75 -0.20 -0.28 0.00 0.00 0.00 0.00 61.98 62.25 1h67 s VAL 75 Cb -0.74 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1h67 s VAL 75 CO 0.46 0.46 0.88 0.20 0.00 0.00 0.00 175.10 177.10 1h67 s ASN 76 N 0.53 7.30 0.25 3.32 0.01 -1.26 -5.01 114.94 120.07 1h67 s ASN 76 Ca 0.00 1.56 -0.30 0.00 -0.71 0.00 0.00 52.86 53.41 1h67 s ASN 76 Cb -0.14 -2.52 -0.11 0.00 0.41 0.00 0.00 41.25 38.90 1h67 s ASN 76 CO 0.02 -0.13 1.51 -1.81 -1.51 0.00 0.00 177.10 175.18 1h67 s ASP 77 N 0.52 6.55 0.00 -1.22 1.01 -1.26 -4.75 116.67 117.52 1h67 s ASP 77 Ca 0.45 2.76 -0.01 0.00 0.71 0.00 0.00 52.55 56.46 1h67 s ASP 77 Cb -0.21 -2.62 -0.06 0.00 1.01 0.00 0.00 42.92 41.04 1h67 s ASP 77 CO 0.26 -0.79 1.80 -0.81 0.21 0.00 0.00 175.17 175.83 1h67 n PRO 78 N 2.51 0.92 0.31 8.23 -0.04 -1.26 -4.40 135.00 141.26 1h67 n PRO 78 Ca 0.08 -0.21 -0.13 0.00 -0.04 0.00 0.00 63.50 63.20 1h67 n PRO 78 Cb 0.39 -1.36 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 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 1.60 0.00 0.00 0.52 2.07 -1.99 -3.45 116.25 115.01 1h67 h VAL 79 Ca 0.04 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1h67 h VAL 79 Cb 0.81 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1h67 h VAL 79 CO 0.09 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.68 1h67 n GLN 80 N -5.14 0.00 0.00 1.57 6.02 -1.26 -5.08 117.38 113.49 1h67 n GLN 80 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 1h67 n GLN 80 Cb 0.32 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.58 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 0.19 1.08 3.02 -1.26 -4.89 115.26 113.40 1h67 n ASN 81 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.62 1h67 n ASN 81 Cb 0.00 0.04 0.57 0.00 -0.61 0.00 0.00 39.78 39.78 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 0.13 -0.60 3.10 5.08 -1.98 -2.36 115.95 119.31 1h67 h TRP 82 Ca 0.00 0.00 0.10 0.00 1.08 0.00 0.00 58.89 60.07 1h67 h TRP 82 Cb 0.00 -0.04 -0.08 0.00 -3.00 0.00 0.00 29.16 26.04 1h67 h TRP 82 CO 0.00 0.11 0.18 0.45 -1.28 0.00 0.00 178.44 177.90 1h67 h HIS 83 N 0.14 0.30 -0.68 0.12 3.86 -1.90 -1.07 115.15 115.92 1h67 h HIS 83 Ca 0.04 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.31 1h67 h HIS 83 Cb 0.03 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 28.41 1h67 h HIS 83 CO 0.00 0.03 0.41 0.87 0.86 0.00 0.00 177.93 180.11 1h67 h LYS 84 N 0.33 0.78 -0.62 2.45 1.57 -1.62 -1.63 116.57 117.83 1h67 h LYS 84 Ca 0.31 -0.05 0.14 0.00 -1.87 0.00 0.00 60.65 59.19 1h67 h LYS 84 Cb 0.43 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1h67 h LYS 84 CO -0.35 0.51 0.43 -0.07 -0.57 0.00 0.00 179.45 179.40 1h67 h LEU 85 N 0.80 0.20 0.16 2.94 3.38 -1.22 0.46 115.31 122.02 1h67 h LEU 85 Ca 0.28 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1h67 h LEU 85 Cb 0.06 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1h67 h LEU 85 CO -0.12 0.11 -0.07 -0.08 0.09 0.00 0.00 178.44 178.36 1h67 h GLU 86 N 0.21 -0.20 -0.83 1.13 4.57 -0.99 -0.48 114.58 117.99 1h67 h GLU 86 Ca 0.30 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.47 1h67 h GLU 86 Cb 0.89 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.48 1h67 h GLU 86 CO -0.06 0.23 0.44 -0.91 -1.18 0.00 0.00 179.01 177.53 1h67 h ASN 87 N -0.75 1.04 -0.32 1.04 2.35 -1.26 -1.61 115.58 116.08 1h67 h ASN 87 Ca -0.02 -0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.55 1h67 h ASN 87 Cb 0.52 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1h67 h ASN 87 CO 0.04 0.85 -0.09 0.40 -1.65 0.00 0.00 177.43 176.98 1h67 h ILE 88 N 1.16 1.28 -0.07 2.81 2.04 -0.98 -1.35 117.51 122.40 1h67 h ILE 88 Ca 0.29 -1.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 1h67 h ILE 88 Cb 0.05 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1h67 h ILE 88 CO -0.04 0.37 0.04 1.23 0.00 0.00 0.00 178.15 179.75 1h67 h GLY 89 N 0.40 0.10 1.06 5.37 0.00 -0.83 -1.57 103.07 107.60 1h67 h GLY 89 Ca 0.08 -0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.27 1h67 h GLY 89 CO 0.03 0.04 -0.04 3.43 0.00 0.00 0.00 176.54 180.00 1h67 h ASN 90 N 0.05 0.98 0.35 0.19 2.35 -1.33 0.12 115.58 118.30 1h67 h ASN 90 Ca 0.02 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.44 1h67 h ASN 90 Cb 0.04 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.14 1h67 h ASN 90 CO -0.00 1.07 -0.19 0.15 -1.65 0.00 0.00 177.43 176.81 1h67 h PHE 91 N 0.87 -0.49 -0.47 1.19 3.57 -1.13 0.12 116.94 120.61 1h67 h PHE 91 Ca 0.15 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.51 1h67 h PHE 91 Cb 0.59 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1h67 h PHE 91 CO 0.04 -0.30 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.55 1h67 h LEU 92 N -0.50 0.99 -0.85 0.59 3.38 -1.30 -1.48 115.31 116.13 1h67 h LEU 92 Ca -0.04 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 1h67 h LEU 92 Cb 0.40 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1h67 h LEU 92 CO 0.06 1.17 0.47 -0.09 0.09 0.00 0.00 178.44 180.13 1h67 h ARG 93 N 0.82 1.19 -0.18 1.13 2.43 -0.87 0.22 114.38 119.12 1h67 h ARG 93 Ca 0.11 -0.14 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 1h67 h ARG 93 Cb 0.78 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1h67 h ARG 93 CO 0.06 0.87 -0.19 0.00 -1.51 0.00 0.00 179.97 179.21 1h67 h ALA 94 N 1.25 0.27 -0.24 2.80 0.00 -0.63 -2.77 119.26 119.94 1h67 h ALA 94 Ca 0.30 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 1h67 h ALA 94 Cb 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1h67 h ALA 94 CO -0.05 0.20 -0.54 -0.84 0.00 0.00 0.00 179.25 178.01 1h67 h ILE 95 N 0.11 1.30 -0.76 0.00 3.07 -1.10 0.43 117.51 120.55 1h67 h ILE 95 Ca 0.03 -1.76 -0.02 0.00 1.55 0.00 0.00 64.86 64.66 1h67 h ILE 95 Cb 0.73 1.69 -0.04 0.00 -0.27 0.00 0.00 36.82 38.94 1h67 h ILE 95 CO 0.05 0.56 0.39 0.50 -1.05 0.00 0.00 178.15 178.60 1h67 h LYS 96 N 0.56 1.07 0.09 0.16 3.64 -0.61 -2.63 116.57 118.85 1h67 h LYS 96 Ca 0.01 -0.13 -0.30 0.00 -1.27 0.00 0.00 60.65 58.96 1h67 h LYS 96 Cb 1.12 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 1h67 h LYS 96 CO 0.11 0.81 -1.57 1.25 -2.27 0.00 0.00 179.45 177.78 1h67 h HIS 97 N 1.07 0.33 -0.74 1.91 2.76 -1.45 -3.36 115.15 115.67 1h67 h HIS 97 Ca 0.27 -0.24 0.16 0.00 -2.20 0.00 0.00 60.37 58.35 1h67 h HIS 97 Cb 0.07 -0.01 -0.11 0.00 1.55 0.00 0.00 27.41 28.91 1h67 h HIS 97 CO 0.01 1.32 0.22 -0.92 -1.30 0.00 0.00 177.93 177.26 1h67 h TYR 98 N 0.05 0.36 0.00 5.26 3.20 0.15 -3.45 116.97 122.54 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 2.00 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 40.22 1h67 h TYR 98 CO 0.05 -0.04 0.00 0.41 -1.64 0.00 0.00 178.16 176.94 1h67 n GLY 99 N -1.34 0.31 3.68 1.82 0.00 -1.02 -5.07 105.19 103.57 1h67 n GLY 99 Ca 0.14 -0.03 -0.46 0.00 0.00 0.00 0.00 46.02 45.68 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 0.11 -1.88 1.61 0.31 -1.05 -4.90 118.33 112.53 1h67 n VAL 100 Ca 0.00 -0.02 -0.41 0.00 -0.01 0.00 0.00 64.34 63.90 1h67 n VAL 100 Cb 0.00 -1.66 -0.02 0.00 -0.91 0.00 0.00 33.84 31.26 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 1.53 4.18 0.28 5.55 1.02 -1.26 -4.26 119.74 126.78 1h67 s LYS 101 Ca 0.81 2.46 0.00 0.00 0.02 0.00 0.00 55.97 59.26 1h67 s LYS 101 Cb -0.66 -3.05 0.51 0.00 -0.52 0.00 0.00 37.83 34.12 1h67 s LYS 101 CO 0.40 -0.52 1.84 -1.35 -0.92 0.00 0.00 175.35 174.80 1h67 h PRO 102 N 4.52 1.00 -0.09 -1.68 0.11 -1.91 0.54 132.00 134.50 1h67 h PRO 102 Ca -0.47 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 65.60 1h67 h PRO 102 Cb 1.22 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1h67 h PRO 102 CO 0.75 0.66 0.13 1.25 -0.21 0.00 0.00 178.00 180.58 1h67 h HIS 103 N 1.03 0.00 -0.79 0.65 -0.00 -1.99 0.11 115.15 114.17 1h67 h HIS 103 Ca 0.48 0.00 -0.50 0.00 -0.00 0.00 0.00 60.37 60.35 1h67 h HIS 103 Cb 0.41 0.00 -0.28 0.00 -0.00 0.00 0.00 27.41 27.54 1h67 h HIS 103 CO -0.01 0.00 0.23 -0.25 -0.00 0.00 0.00 177.93 177.91 1h67 n ASP 104 N -3.67 5.14 -3.72 3.26 9.92 0.18 -4.92 116.55 122.74 1h67 n ASP 104 Ca -0.01 -3.75 -0.12 0.00 -0.53 0.00 0.00 54.79 50.38 1h67 n ASP 104 Cb 0.22 -0.73 -0.12 0.00 -0.64 0.00 0.00 41.12 39.85 1h67 n ASP 104 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1h67 s ILE 105 N -4.14 -0.04 0.35 0.53 1.01 0.39 -4.30 121.20 115.01 1h67 s ILE 105 Ca 0.56 0.13 -0.26 0.00 0.00 0.00 0.00 60.65 61.08 1h67 s ILE 105 Cb 0.46 -0.43 -0.09 0.00 0.01 0.00 0.00 42.46 42.40 1h67 s ILE 105 CO 0.02 0.05 1.04 0.72 0.00 0.00 0.00 174.94 176.78 1h67 s PHE 106 N 1.24 3.44 0.44 3.97 -0.12 -1.26 -4.92 117.98 120.77 1h67 s PHE 106 Ca -0.09 1.69 -0.15 0.00 -0.05 0.00 0.00 56.93 58.33 1h67 s PHE 106 Cb -0.10 -3.13 -0.08 0.00 -0.63 0.00 0.00 43.02 39.09 1h67 s PHE 106 CO -0.09 -0.43 0.88 -1.21 -0.05 0.00 0.00 175.22 174.31 1h67 s GLU 107 N -2.12 3.92 0.60 1.99 2.02 -1.26 -4.91 118.70 118.94 1h67 s GLU 107 Ca 0.53 0.77 0.28 0.00 0.02 0.00 0.00 54.97 56.57 1h67 s GLU 107 Cb -0.24 -2.26 1.41 0.00 0.10 0.00 0.00 34.13 33.13 1h67 s GLU 107 CO 0.30 -0.11 1.81 0.00 0.02 0.00 0.00 175.26 177.28 1h67 h ALA 108 N 1.30 2.19 0.17 5.21 0.00 -1.95 0.39 119.26 126.56 1h67 h ALA 108 Ca -0.47 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.11 1h67 h ALA 108 Cb 1.18 0.04 0.03 0.00 0.00 0.00 0.00 17.79 19.04 1h67 h ALA 108 CO 0.63 -0.82 -1.32 -0.91 0.00 0.00 0.00 179.25 176.83 1h67 h ASN 109 N 0.00 0.79 -0.22 0.00 4.21 -1.98 -2.42 115.58 115.97 1h67 h ASN 109 Ca 0.23 -0.78 0.01 0.00 1.21 0.00 0.00 56.30 56.96 1h67 h ASN 109 Cb 1.36 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 38.30 1h67 h ASN 109 CO -0.00 1.60 0.13 0.44 -1.29 0.00 0.00 177.43 178.30 1h67 h ASP 110 N 0.20 0.21 -0.08 5.81 3.32 -0.58 0.28 116.42 125.58 1h67 h ASP 110 Ca -0.20 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.78 1h67 h ASP 110 Cb 2.01 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 41.51 1h67 h ASP 110 CO 0.25 0.15 -0.21 0.25 -1.72 0.00 0.00 179.24 177.96 1h67 h LEU 111 N 0.26 0.31 0.40 1.55 5.85 -1.59 0.14 115.31 122.24 1h67 h LEU 111 Ca 0.08 -0.60 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 1h67 h LEU 111 Cb -0.01 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1h67 h LEU 111 CO -0.04 0.86 -0.19 0.15 -0.34 0.00 0.00 178.44 178.88 1h67 h PHE 112 N -0.21 -0.50 0.00 1.25 3.57 -1.38 -2.75 116.94 116.92 1h67 h PHE 112 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1h67 h PHE 112 Cb 0.82 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.72 1h67 h PHE 112 CO 0.12 -0.24 0.00 0.39 -2.23 0.00 0.00 178.31 176.35 1h67 n GLU 113 N -5.27 0.16 -2.43 1.11 -0.58 0.98 -4.89 120.64 109.72 1h67 n GLU 113 Ca -0.11 0.25 -0.16 0.00 -0.42 0.00 0.00 57.16 56.72 1h67 n GLU 113 Cb 0.26 -1.73 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 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 -2.02 -4.80 -0.02 1.62 3.02 0.26 -4.92 115.26 108.39 1h67 n ASN 114 Ca 0.04 -0.07 -0.13 0.00 -0.03 0.00 0.00 54.58 54.40 1h67 n ASN 114 Cb 0.32 -3.86 -0.10 0.00 -0.61 0.00 0.00 39.78 35.52 1h67 n ASN 114 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1h67 h THR 115 N -0.26 1.45 -3.67 3.41 1.35 -1.11 -3.43 112.91 110.65 1h67 h THR 115 Ca -0.38 -1.34 -0.65 0.00 -0.55 0.00 0.00 66.41 63.49 1h67 h THR 115 Cb 1.28 2.36 -0.22 0.00 -1.73 0.00 0.00 68.15 69.84 1h67 h THR 115 CO 0.44 0.35 -0.61 0.20 -0.25 0.00 0.00 175.52 175.65 1h67 s ASN 116 N -5.77 5.24 -0.27 5.36 -0.87 -1.20 -4.97 114.94 112.46 1h67 s ASN 116 Ca -0.16 -0.20 -0.13 0.00 -1.57 0.00 0.00 52.86 50.80 1h67 s ASN 116 Cb 0.01 -1.95 -0.13 0.00 -0.02 0.00 0.00 41.25 39.16 1h67 s ASN 116 CO 0.67 -0.04 -0.29 1.41 -2.57 0.00 0.00 177.10 176.28 1h67 n HIS 117 N 4.94 0.09 -0.24 2.20 8.25 -1.26 -4.13 115.22 125.07 1h67 n HIS 117 Ca -0.16 0.04 -0.07 0.00 -0.26 0.00 0.00 57.72 57.27 1h67 n HIS 117 Cb 0.51 -1.01 0.04 0.00 1.12 0.00 0.00 29.99 30.66 1h67 n HIS 117 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1h67 h THR 118 N -0.87 1.23 -0.84 1.59 1.35 -2.00 -2.70 112.91 110.66 1h67 h THR 118 Ca -0.67 -0.65 0.07 0.00 -0.55 0.00 0.00 66.41 64.61 1h67 h THR 118 Cb 1.63 0.43 -0.06 0.00 -1.73 0.00 0.00 68.15 68.42 1h67 h THR 118 CO -0.37 0.27 0.52 -0.61 -0.25 0.00 0.00 175.52 175.07 1h67 h GLN 119 N 0.92 0.90 -0.37 4.72 5.75 -1.99 -0.92 115.11 124.12 1h67 h GLN 119 Ca 0.23 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.67 1h67 h GLN 119 Cb 0.13 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 1h67 h GLN 119 CO -0.03 0.59 0.24 0.28 -2.65 0.00 0.00 178.83 177.26 1h67 h VAL 120 N 0.93 1.11 -0.37 2.39 2.07 -1.64 -0.52 116.25 120.22 1h67 h VAL 120 Ca 0.38 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.64 1h67 h VAL 120 Cb 0.21 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1h67 h VAL 120 CO -0.19 0.11 0.13 -0.61 0.02 0.00 0.00 177.57 177.03 1h67 h GLN 121 N 0.50 0.56 -0.80 1.57 4.15 -1.23 -2.98 115.11 116.88 1h67 h GLN 121 Ca 0.14 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 1h67 h GLN 121 Cb -0.03 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.54 1h67 h GLN 121 CO -0.03 0.57 0.37 1.03 -1.93 0.00 0.00 178.83 178.84 1h67 h SER 122 N 0.45 1.05 -0.68 -0.69 0.87 -1.00 -2.88 113.55 110.68 1h67 h SER 122 Ca 0.12 -0.14 0.09 0.00 -1.23 0.00 0.00 61.79 60.62 1h67 h SER 122 Cb 0.23 -0.27 -0.07 0.00 -0.44 0.00 0.00 62.40 61.85 1h67 h SER 122 CO -0.01 0.90 0.32 0.74 -0.53 0.00 0.00 176.83 178.26 1h67 h THR 123 N 1.13 0.85 -0.59 2.23 2.02 -0.95 -1.75 112.91 115.85 1h67 h THR 123 Ca 0.27 -0.19 0.02 0.00 0.77 0.00 0.00 66.41 67.28 1h67 h THR 123 Cb 0.14 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 66.75 1h67 h THR 123 CO -0.03 0.10 0.36 -0.07 0.37 0.00 0.00 175.52 176.25 1h67 h LEU 124 N 0.56 0.59 -0.57 2.58 3.38 -1.40 -1.15 115.31 119.31 1h67 h LEU 124 Ca 0.33 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.33 1h67 h LEU 124 Cb 0.35 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1h67 h LEU 124 CO -0.26 0.42 0.34 0.40 0.09 0.00 0.00 178.44 179.42 1h67 h ILE 125 N 0.72 1.06 -0.61 1.22 2.04 -1.28 -1.82 117.51 118.84 1h67 h ILE 125 Ca 0.23 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 1h67 h ILE 125 Cb 0.01 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 1h67 h ILE 125 CO -0.09 0.12 0.23 0.00 0.00 0.00 0.00 178.15 178.41 1h67 h ALA 126 N 1.25 0.79 -0.41 1.87 0.00 -0.93 -2.72 119.26 119.11 1h67 h ALA 126 Ca 0.23 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1h67 h ALA 126 Cb 0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1h67 h ALA 126 CO -0.10 0.41 0.23 1.25 0.00 0.00 0.00 179.25 181.04 1h67 h LEU 127 N 0.85 0.36 -0.69 0.00 7.12 -0.78 -2.07 115.31 120.10 1h67 h LEU 127 Ca 0.20 0.01 0.07 0.00 0.13 0.00 0.00 57.88 58.29 1h67 h LEU 127 Cb 0.22 -0.06 -0.06 0.00 -0.53 0.00 0.00 40.66 40.22 1h67 h LEU 127 CO -0.01 0.26 0.37 0.00 -0.13 0.00 0.00 178.44 178.93 1h67 h ALA 128 N 1.19 0.93 -0.53 1.25 0.00 -1.17 -0.91 119.26 120.03 1h67 h ALA 128 Ca 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1h67 h ALA 128 Cb 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1h67 h ALA 128 CO -0.09 0.03 0.28 0.77 0.00 0.00 0.00 179.25 180.24 1h67 h SER 129 N 0.67 0.64 0.21 0.00 0.02 -1.13 -2.93 113.55 111.05 1h67 h SER 129 Ca 0.32 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 1h67 h SER 129 Cb 0.24 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1h67 h SER 129 CO -0.21 0.53 -0.10 -0.61 -1.14 0.00 0.00 176.83 175.30 1h67 h GLN 130 N 0.73 -0.28 -1.61 3.45 5.75 -0.52 -3.00 115.11 119.64 1h67 h GLN 130 Ca 0.19 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.71 1h67 h GLN 130 Cb 0.04 0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.65 1h67 h GLN 130 CO -0.03 0.01 0.00 0.00 -2.65 0.00 0.00 178.83 176.16 1h67 n ALA 131 N -2.37 3.21 -0.25 3.38 0.00 -0.74 -4.31 120.51 119.42 1h67 n ALA 131 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1h67 n ALA 131 Cb 0.22 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1h67 n ALA 131 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1h67 n LYS 132 N 1.11 0.00 -2.70 0.00 4.81 -1.13 -4.87 118.16 115.39 1h67 n LYS 132 Ca 0.00 0.37 -0.05 0.00 -0.87 0.00 0.00 58.31 57.76 1h67 n LYS 132 Cb 0.46 -0.94 0.11 0.00 0.02 0.00 0.00 35.03 34.68 1h67 n LYS 132 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1h67 n THR 133 N -1.62 0.19 0.00 3.15 -2.24 -1.26 -5.14 114.28 107.36 1h67 n THR 133 Ca 0.00 -1.59 0.00 0.00 -2.27 0.00 0.00 64.05 60.19 1h67 n THR 133 Cb 0.00 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 1h67 n THR 133 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79