#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h67 s PRO 28 N 0.00 4.30 0.06 0.03 0.04 -1.26 -4.94 135.00 133.23 1h67 s PRO 28 Ca 0.00 2.21 -0.23 0.00 0.04 0.00 0.00 61.00 63.02 1h67 s PRO 28 Cb 0.00 -3.16 -0.14 0.00 0.04 0.00 0.00 34.50 31.24 1h67 s PRO 28 CO 0.00 -0.41 1.56 -0.56 0.04 0.00 0.00 177.00 177.63 1h67 h GLN 29 N 5.72 0.12 -6.48 4.56 3.07 -2.04 -3.46 115.11 116.60 1h67 h GLN 29 Ca -0.44 -0.03 -0.51 0.00 0.09 0.00 0.00 58.65 57.76 1h67 h GLN 29 Cb 1.21 -0.02 -0.28 0.00 0.08 0.00 0.00 27.48 28.47 1h67 h GLN 29 CO 0.81 0.28 -0.75 -2.37 0.09 0.00 0.00 178.83 176.90 1h67 n THR 30 N -4.92 -0.18 -0.04 1.86 5.66 -1.26 -4.80 114.28 110.60 1h67 n THR 30 Ca -0.06 -0.09 -0.13 0.00 -3.05 0.00 0.00 64.05 60.72 1h67 n THR 30 Cb 0.13 -0.50 -0.08 0.00 -1.55 0.00 0.00 70.33 68.34 1h67 n THR 30 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1h67 h GLU 31 N -0.83 0.20 -0.34 1.09 5.08 -1.98 -2.96 114.58 114.85 1h67 h GLU 31 Ca -0.50 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 57.66 1h67 h GLU 31 Cb 1.13 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1h67 h GLU 31 CO 0.70 0.59 -0.21 -0.09 -1.00 0.00 0.00 179.01 179.00 1h67 h ARG 32 N -0.19 0.74 0.00 2.33 2.43 -2.03 -2.91 114.38 114.75 1h67 h ARG 32 Ca 0.02 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1h67 h ARG 32 Cb 0.54 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1h67 h ARG 32 CO 0.02 0.96 0.00 1.96 -1.51 0.00 0.00 179.97 181.39 1h67 h GLN 33 N 0.51 0.00 -0.50 0.20 4.20 -1.95 -2.97 115.11 114.61 1h67 h GLN 33 Ca 0.07 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.88 1h67 h GLN 33 Cb 0.76 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.46 1h67 h GLN 33 CO 0.06 0.00 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.14 1h67 h LEU 34 N 0.00 -0.23 0.07 1.46 3.38 -1.33 0.39 115.31 119.04 1h67 h LEU 34 Ca 0.00 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1h67 h LEU 34 Cb 0.02 0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1h67 h LEU 34 CO 0.00 -0.08 -0.03 0.08 0.09 0.00 0.00 178.44 178.50 1h67 h ARG 35 N 0.11 -0.09 -0.94 1.13 0.11 -1.73 -2.20 114.38 110.77 1h67 h ARG 35 Ca 0.25 0.01 0.06 0.00 0.10 0.00 0.00 59.98 60.40 1h67 h ARG 35 Cb 0.38 0.02 -0.06 0.00 1.11 0.00 0.00 29.97 31.42 1h67 h ARG 35 CO -0.42 0.06 0.61 0.28 0.10 0.00 0.00 179.97 180.60 1h67 h VAL 36 N -0.22 1.09 0.00 0.08 2.07 -1.62 -0.89 116.25 116.76 1h67 h VAL 36 Ca -0.01 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1h67 h VAL 36 Cb 0.19 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1h67 h VAL 36 CO 0.02 0.20 0.00 1.87 0.02 0.00 0.00 177.57 179.68 1h67 n TRP 37 N -4.49 0.00 -0.10 1.57 -0.00 0.09 -1.39 117.44 113.13 1h67 n TRP 37 Ca 0.14 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.58 1h67 n TRP 37 Cb 0.18 -0.47 0.01 0.00 -0.00 0.00 0.00 31.31 31.03 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 0.79 -0.97 5.87 2.04 -1.42 -1.68 117.51 122.14 1h67 h ILE 38 Ca 0.00 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 65.86 1h67 h ILE 38 Cb 0.00 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 36.66 1h67 h ILE 38 CO 0.00 0.03 0.63 -0.33 0.00 0.00 0.00 178.15 178.47 1h67 h GLU 39 N 0.14 1.15 -0.58 2.37 5.08 -1.28 -2.28 114.58 119.17 1h67 h GLU 39 Ca 0.16 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1h67 h GLU 39 Cb 0.20 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1h67 h GLU 39 CO -0.24 0.76 0.11 0.78 -1.00 0.00 0.00 179.01 179.42 1h67 h GLY 40 N 1.18 0.99 0.17 -3.84 0.00 -0.48 0.35 103.07 101.44 1h67 h GLY 40 Ca 0.40 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 1h67 h GLY 40 CO -0.14 0.57 -0.21 0.00 0.00 0.00 0.00 176.54 176.76 1h67 h ALA 41 N 1.24 -0.88 0.02 3.60 0.00 -0.72 -3.33 119.26 119.20 1h67 h ALA 41 Ca 0.18 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1h67 h ALA 41 Cb 0.36 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1h67 h ALA 41 CO 0.00 -0.90 -0.15 1.79 0.00 0.00 0.00 179.25 180.00 1h67 h THR 42 N -0.39 1.73 0.00 0.00 1.35 -1.62 -3.49 112.91 110.49 1h67 h THR 42 Ca -0.02 -2.34 0.00 0.00 -0.55 0.00 0.00 66.41 63.50 1h67 h THR 42 Cb 0.34 3.31 0.00 0.00 -1.73 0.00 0.00 68.15 70.08 1h67 h THR 42 CO -0.04 0.62 0.00 0.61 -0.25 0.00 0.00 175.52 176.45 1h67 n GLY 43 N 1.56 0.96 2.97 5.82 0.00 0.12 -5.12 105.19 111.50 1h67 n GLY 43 Ca -0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 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 0.08 1.22 -0.11 1.61 1.81 -1.03 -5.02 118.95 117.51 1h67 s ARG 44 Ca 0.00 -0.28 0.00 0.00 -1.72 0.00 0.00 55.73 53.73 1h67 s ARG 44 Cb 0.00 -1.08 0.11 0.00 -0.45 0.00 0.00 34.95 33.52 1h67 s ARG 44 CO 0.00 0.01 1.60 0.54 -0.68 0.00 0.00 175.30 176.77 1h67 n ARG 45 N 3.77 1.28 0.00 3.54 5.12 -1.26 -4.41 116.66 124.70 1h67 n ARG 45 Ca -0.23 -0.60 0.00 0.00 -1.93 0.00 0.00 57.85 55.09 1h67 n ARG 45 Cb 0.52 -1.24 0.00 0.00 -1.16 0.00 0.00 32.46 30.58 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 0.62 0.00 0.00 0.55 5.41 -1.26 -4.10 119.36 120.59 1h67 n ILE 46 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.87 1h67 n ILE 46 Cb 0.63 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.56 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 0.00 0.25 0.21 7.39 0.00 -1.26 -4.97 105.19 106.81 1h67 n GLY 47 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1h67 n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1h67 n ASP 48 N 0.00 -0.14 0.00 1.61 2.03 -1.26 -5.12 116.55 113.67 1h67 n ASP 48 Ca 0.00 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.48 1h67 n ASP 48 Cb 0.00 0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 1h67 n ASP 48 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1h67 n ASN 49 N -2.35 0.00 0.02 1.67 4.13 -1.26 -5.08 115.26 112.39 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 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 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 0.00 -2.08 -0.09 3.10 7.35 -1.26 -4.95 117.46 119.54 1h67 n PHE 50 Ca 0.00 0.12 -0.18 0.00 -0.76 0.00 0.00 57.45 56.63 1h67 n PHE 50 Cb 0.00 0.64 -0.12 0.00 0.35 0.00 0.00 39.48 40.36 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 -0.78 -4.13 2.86 -1.97 -3.32 114.93 107.59 1h67 h MET 51 Ca 0.00 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.78 1h67 h MET 51 Cb 0.00 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.57 1h67 h MET 51 CO 0.00 0.95 0.36 -0.44 1.06 0.00 0.00 176.91 178.84 1h67 h ASP 52 N -1.00 0.40 -0.90 1.22 5.19 -1.94 -1.22 116.42 118.17 1h67 h ASP 52 Ca -0.19 0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1h67 h ASP 52 Cb 1.13 0.04 -0.04 0.00 0.18 0.00 0.00 39.33 40.64 1h67 h ASP 52 CO -0.12 0.17 0.55 1.23 -3.12 0.00 0.00 179.24 177.95 1h67 h GLY 53 N 0.53 1.31 1.67 2.75 0.00 -1.93 -2.51 103.07 104.89 1h67 h GLY 53 Ca 0.42 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1h67 h GLY 53 CO -0.37 0.52 0.13 1.41 0.00 0.00 0.00 176.54 178.24 1h67 h LEU 54 N 1.24 0.39 -1.21 3.11 3.38 -1.32 -2.91 115.31 117.99 1h67 h LEU 54 Ca 0.32 -0.03 0.26 0.00 0.09 0.00 0.00 57.88 58.52 1h67 h LEU 54 Cb -0.06 -0.10 -0.11 0.00 0.09 0.00 0.00 40.66 40.49 1h67 h LEU 54 CO -0.06 0.35 0.64 0.11 0.09 0.00 0.00 178.44 179.57 1h67 h LYS 55 N 0.44 0.45 -0.91 1.13 1.57 -1.24 -0.33 116.57 117.67 1h67 h LYS 55 Ca 0.11 -0.03 0.23 0.00 -1.87 0.00 0.00 60.65 59.09 1h67 h LYS 55 Cb 0.08 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.23 1h67 h LYS 55 CO -0.01 0.30 0.62 0.38 -0.57 0.00 0.00 179.45 180.17 1h67 h ASP 56 N 0.47 0.26 -4.45 0.86 2.03 -1.66 -3.41 116.42 110.51 1h67 h ASP 56 Ca 0.62 0.03 -0.02 0.00 -0.73 0.00 0.00 57.03 56.93 1h67 h ASP 56 Cb 1.41 -0.02 0.02 0.00 -0.83 0.00 0.00 39.33 39.92 1h67 h ASP 56 CO -0.38 0.09 -0.07 0.61 -1.03 0.00 0.00 179.24 178.47 1h67 n GLY 57 N -1.59 -0.80 2.05 7.15 0.00 -0.14 -4.34 105.19 107.53 1h67 n GLY 57 Ca 0.20 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.61 0.00 -0.12 1.61 0.31 -1.26 -4.69 118.33 112.57 1h67 n VAL 58 Ca -0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.21 1h67 n VAL 58 Cb 0.51 -0.33 -0.02 0.00 -0.91 0.00 0.00 33.84 33.08 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 1.28 -0.27 2.52 2.04 -1.93 -0.91 117.51 120.24 1h67 h ILE 59 Ca 0.00 -1.14 -0.05 0.00 1.00 0.00 0.00 64.86 64.67 1h67 h ILE 59 Cb 0.00 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1h67 h ILE 59 CO 0.00 0.38 -0.02 -0.07 0.00 0.00 0.00 178.15 178.43 1h67 h LEU 60 N 0.48 0.49 -1.21 1.44 3.38 -1.91 -0.13 115.31 117.86 1h67 h LEU 60 Ca 0.09 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.77 1h67 h LEU 60 Cb 0.58 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 1h67 h LEU 60 CO 0.03 0.70 0.55 0.00 0.09 0.00 0.00 178.44 179.82 1h67 h GLU 62 N 1.03 0.41 -0.05 0.00 4.39 -0.85 -3.14 114.58 116.36 1h67 h GLU 62 Ca 0.34 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 1h67 h GLU 62 Cb 0.05 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1h67 h GLU 62 CO -0.10 0.68 -0.04 1.25 -1.16 0.00 0.00 179.01 179.64 1h67 h LEU 63 N 0.35 0.11 -1.21 1.33 5.85 0.86 -3.23 115.31 119.37 1h67 h LEU 63 Ca 0.04 -0.46 0.10 0.00 0.84 0.00 0.00 57.88 58.41 1h67 h LEU 63 Cb 0.73 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.67 1h67 h LEU 63 CO 0.06 0.55 0.57 -0.29 -0.34 0.00 0.00 178.44 178.99 1h67 h ILE 64 N -0.32 0.96 -0.61 4.05 6.09 -1.19 0.21 117.51 126.70 1h67 h ILE 64 Ca 0.01 -0.30 0.18 0.00 -1.37 0.00 0.00 64.86 63.38 1h67 h ILE 64 Cb 0.51 0.02 -0.02 0.00 0.47 0.00 0.00 36.82 37.79 1h67 h ILE 64 CO 0.01 0.16 0.52 0.78 -3.07 0.00 0.00 178.15 176.55 1h67 h ASN 65 N 0.87 0.00 0.04 2.19 2.35 -1.56 0.71 115.58 120.18 1h67 h ASN 65 Ca 0.41 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.16 1h67 h ASN 65 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1h67 h ASN 65 CO -0.18 0.00 -0.02 0.11 -1.65 0.00 0.00 177.43 175.70 1h67 h LYS 66 N 0.00 -0.05 0.27 0.81 1.79 -1.07 -3.37 116.57 114.96 1h67 h LYS 66 Ca 0.29 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.75 1h67 h LYS 66 Cb 1.33 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.99 1h67 h LYS 66 CO -0.00 0.49 -0.13 -0.07 -1.08 0.00 0.00 179.45 178.66 1h67 h LEU 67 N -0.62 -0.31 -9.28 2.94 3.38 -1.06 -3.44 115.31 106.91 1h67 h LEU 67 Ca -0.01 -0.12 -0.64 0.00 0.09 0.00 0.00 57.88 57.21 1h67 h LEU 67 Cb 0.56 0.08 -0.13 0.00 0.09 0.00 0.00 40.66 41.26 1h67 h LEU 67 CO 0.01 0.18 -0.54 -1.58 0.09 0.00 0.00 178.44 176.59 1h67 s GLN 68 N -3.14 3.74 0.20 1.13 0.74 0.23 -5.09 119.66 117.47 1h67 s GLN 68 Ca -0.09 -0.28 -0.30 0.00 0.05 0.00 0.00 55.36 54.74 1h67 s GLN 68 Cb 0.01 -3.18 -0.08 0.00 1.10 0.00 0.00 33.01 30.86 1h67 s GLN 68 CO 0.30 0.46 1.16 -1.25 -0.55 0.00 0.00 175.29 175.41 1h67 s PRO 69 N -0.16 4.54 -1.41 1.67 0.04 -1.26 -3.74 135.00 134.68 1h67 s PRO 69 Ca 0.08 1.83 -0.07 0.00 0.04 0.00 0.00 61.00 62.88 1h67 s PRO 69 Cb -0.12 -3.24 0.04 0.00 0.04 0.00 0.00 34.50 31.22 1h67 s PRO 69 CO 0.01 -0.00 0.92 0.41 0.04 0.00 0.00 177.00 178.38 1h67 n GLY 70 N 1.97 -0.42 0.10 0.56 0.00 -1.26 -4.91 105.19 101.22 1h67 n GLY 70 Ca 0.03 0.17 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.09 0.32 -4.24 1.61 0.02 -1.88 -3.47 113.55 103.82 1h67 h SER 71 Ca -0.59 -0.94 -0.17 0.00 -0.84 0.00 0.00 61.79 59.24 1h67 h SER 71 Cb 1.37 -0.10 -0.24 0.00 0.14 0.00 0.00 62.40 63.56 1h67 h SER 71 CO 0.61 1.24 -0.53 -0.69 -1.14 0.00 0.00 176.83 176.32 1h67 s VAL 72 N -2.47 0.03 0.00 2.27 1.01 -1.26 -4.82 120.40 115.16 1h67 s VAL 72 Ca -0.15 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1h67 s VAL 72 Cb -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 36.08 1h67 s VAL 72 CO 0.78 -0.15 0.00 0.00 0.00 0.00 0.00 175.10 175.74 1h67 n GLN 73 N 2.41 0.00 0.16 2.72 6.02 -1.26 -4.91 117.38 122.52 1h67 n GLN 73 Ca -0.16 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.69 1h67 n GLN 73 Cb 0.58 -0.46 -0.06 0.00 1.02 0.00 0.00 30.24 31.31 1h67 n GLN 73 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1h67 h LYS 74 N 0.00 -0.54 -6.20 -1.09 1.63 -2.02 -3.47 116.57 104.88 1h67 h LYS 74 Ca 0.00 0.04 -0.40 0.00 -0.85 0.00 0.00 60.65 59.43 1h67 h LYS 74 Cb 0.00 0.12 0.07 0.00 -0.60 0.00 0.00 32.23 31.83 1h67 h LYS 74 CO 0.00 -0.36 -0.88 0.28 -3.45 0.00 0.00 179.45 175.04 1h67 n VAL 75 N -5.40 -6.01 -1.65 2.00 0.31 -1.26 -4.84 118.33 101.47 1h67 n VAL 75 Ca -0.08 -0.84 -0.45 0.00 -0.01 0.00 0.00 64.34 62.96 1h67 n VAL 75 Cb 0.31 -4.45 -0.03 0.00 -0.91 0.00 0.00 33.84 28.76 1h67 n VAL 75 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1h67 n ASN 76 N -2.60 2.51 -4.72 4.52 3.02 -1.26 -4.88 115.26 111.85 1h67 n ASN 76 Ca -0.10 1.14 -0.42 0.00 -0.03 0.00 0.00 54.58 55.17 1h67 n ASN 76 Cb 0.59 -1.39 -0.03 0.00 -0.61 0.00 0.00 39.78 38.34 1h67 n ASN 76 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1h67 s ASP 77 N 0.25 6.49 -0.41 6.41 1.11 -1.26 -4.82 116.67 124.44 1h67 s ASP 77 Ca 0.69 2.73 -0.28 0.00 0.18 0.00 0.00 52.55 55.88 1h67 s ASP 77 Cb -0.68 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 40.68 1h67 s ASP 77 CO 0.50 -0.89 1.93 -2.16 1.18 0.00 0.00 175.17 175.73 1h67 s PRO 78 N 1.10 2.98 0.29 8.23 0.04 -1.26 -4.46 135.00 141.93 1h67 s PRO 78 Ca 0.72 1.28 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1h67 s PRO 78 Cb -0.46 -4.31 0.00 0.00 0.04 0.00 0.00 34.50 29.77 1h67 s PRO 78 CO 0.32 -2.28 0.00 0.28 0.04 0.00 0.00 177.00 175.36 1h67 n VAL 79 N 7.47 0.00 -3.16 -0.36 0.31 -1.26 -5.05 118.33 116.28 1h67 n VAL 79 Ca 0.25 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 64.23 1h67 n VAL 79 Cb 0.49 -0.15 -0.06 0.00 -0.91 0.00 0.00 33.84 33.20 1h67 n VAL 79 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1h67 s GLN 80 N -2.00 4.14 0.24 5.55 -1.52 -1.26 -4.98 119.66 119.83 1h67 s GLN 80 Ca 0.00 0.75 -0.05 0.00 -1.95 0.00 0.00 55.36 54.11 1h67 s GLN 80 Cb 0.00 -2.78 0.42 0.00 -0.22 0.00 0.00 33.01 30.43 1h67 s GLN 80 CO 0.00 0.35 1.75 -2.95 -0.25 0.00 0.00 175.29 174.19 1h67 h ASN 81 N 3.15 0.36 0.67 5.90 -1.07 -2.00 -0.44 115.58 122.16 1h67 h ASN 81 Ca -0.48 0.09 -0.10 0.00 0.07 0.00 0.00 56.30 55.88 1h67 h ASN 81 Cb 1.19 0.05 -0.01 0.00 -2.07 0.00 0.00 38.32 37.47 1h67 h ASN 81 CO 0.65 0.17 -0.47 4.11 0.07 0.00 0.00 177.43 181.96 1h67 h TRP 82 N 0.51 0.00 0.21 4.14 5.08 -1.99 -3.01 115.95 120.89 1h67 h TRP 82 Ca 0.39 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.37 1h67 h TRP 82 Cb 0.54 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.68 1h67 h TRP 82 CO -0.14 0.47 -0.20 0.45 -1.28 0.00 0.00 178.44 177.74 1h67 h HIS 83 N 0.00 -0.53 -0.29 0.12 3.86 -1.43 -0.10 115.15 116.78 1h67 h HIS 83 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1h67 h HIS 83 Cb 0.94 0.21 -0.01 0.00 1.06 0.00 0.00 27.41 29.60 1h67 h HIS 83 CO 0.00 -0.30 0.13 0.87 0.86 0.00 0.00 177.93 179.49 1h67 h LYS 84 N -0.44 0.42 -0.77 2.45 1.57 -1.55 -2.55 116.57 115.71 1h67 h LYS 84 Ca -0.00 -0.07 0.08 0.00 -1.87 0.00 0.00 60.65 58.79 1h67 h LYS 84 Cb 0.41 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.59 1h67 h LYS 84 CO -0.05 0.41 0.51 -0.07 -0.57 0.00 0.00 179.45 179.68 1h67 h LEU 85 N 0.33 0.70 -0.22 2.94 3.38 -1.37 -0.39 115.31 120.68 1h67 h LEU 85 Ca 0.10 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1h67 h LEU 85 Cb 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1h67 h LEU 85 CO -0.01 0.44 -0.06 -0.08 0.09 0.00 0.00 178.44 178.82 1h67 h GLU 86 N 0.79 0.43 -0.77 1.13 4.81 -0.74 -1.23 114.58 119.00 1h67 h GLU 86 Ca 0.34 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1h67 h GLU 86 Cb 0.32 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 1h67 h GLU 86 CO -0.12 0.67 0.31 -0.91 -0.73 0.00 0.00 179.01 178.23 1h67 h ASN 87 N 0.16 1.05 -0.55 1.04 2.35 -1.01 -2.65 115.58 115.98 1h67 h ASN 87 Ca 0.06 -0.16 -0.07 0.00 -0.55 0.00 0.00 56.30 55.58 1h67 h ASN 87 Cb 0.52 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 1h67 h ASN 87 CO 0.02 0.93 0.06 0.40 -1.65 0.00 0.00 177.43 177.19 1h67 h ILE 88 N 1.11 1.26 -0.69 2.81 2.04 -0.98 -2.72 117.51 120.33 1h67 h ILE 88 Ca 0.26 -1.01 0.07 0.00 1.00 0.00 0.00 64.86 65.17 1h67 h ILE 88 Cb 0.20 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 1h67 h ILE 88 CO -0.02 0.36 0.38 1.23 0.00 0.00 0.00 178.15 180.11 1h67 h GLY 89 N 0.81 1.03 0.98 5.37 0.00 -0.88 -1.48 103.07 108.90 1h67 h GLY 89 Ca 0.16 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 1h67 h GLY 89 CO 0.02 0.15 0.12 3.43 0.00 0.00 0.00 176.54 180.26 1h67 h ASN 90 N 0.70 0.77 0.30 0.19 2.35 -1.36 0.15 115.58 118.68 1h67 h ASN 90 Ca 0.32 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1h67 h ASN 90 Cb 0.22 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1h67 h ASN 90 CO -0.20 0.80 -0.14 0.15 -1.65 0.00 0.00 177.43 176.39 1h67 h PHE 91 N 0.70 -0.38 -0.50 1.19 3.57 -1.12 0.02 116.94 120.44 1h67 h PHE 91 Ca 0.16 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.52 1h67 h PHE 91 Cb 0.33 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1h67 h PHE 91 CO 0.02 -0.23 -0.18 -0.07 -2.23 0.00 0.00 178.31 175.62 1h67 h LEU 92 N -0.41 1.02 -0.97 0.59 3.38 -1.27 -1.55 115.31 116.10 1h67 h LEU 92 Ca -0.04 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1h67 h LEU 92 Cb 0.32 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1h67 h LEU 92 CO 0.07 1.17 0.61 -0.09 0.09 0.00 0.00 178.44 180.29 1h67 h ARG 93 N 0.86 1.29 -0.12 1.13 2.43 -0.60 0.32 114.38 119.71 1h67 h ARG 93 Ca 0.12 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 1h67 h ARG 93 Cb 0.76 -0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1h67 h ARG 93 CO 0.06 0.88 -0.18 0.00 -1.51 0.00 0.00 179.97 179.22 1h67 h ALA 94 N 1.34 0.18 -0.23 2.80 0.00 -0.84 -2.83 119.26 119.68 1h67 h ALA 94 Ca 0.35 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1h67 h ALA 94 Cb -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1h67 h ALA 94 CO -0.07 0.10 -0.59 -0.84 0.00 0.00 0.00 179.25 177.85 1h67 h ILE 95 N -0.08 1.28 -0.64 0.00 3.07 -1.10 0.42 117.51 120.46 1h67 h ILE 95 Ca 0.01 -1.79 -0.01 0.00 1.55 0.00 0.00 64.86 64.62 1h67 h ILE 95 Cb 0.75 1.79 -0.03 0.00 -0.27 0.00 0.00 36.82 39.05 1h67 h ILE 95 CO 0.04 0.57 0.35 0.50 -1.05 0.00 0.00 178.15 178.57 1h67 h LYS 96 N 0.56 0.88 0.07 0.16 3.64 -0.45 -2.54 116.57 118.89 1h67 h LYS 96 Ca -0.01 -0.09 -0.31 0.00 -1.27 0.00 0.00 60.65 58.98 1h67 h LYS 96 Cb 1.21 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 1h67 h LYS 96 CO 0.13 0.64 -1.64 1.25 -2.27 0.00 0.00 179.45 177.56 1h67 h HIS 97 N 0.89 0.28 -0.77 1.91 2.76 -1.48 -3.36 115.15 115.37 1h67 h HIS 97 Ca 0.23 -0.21 0.13 0.00 -2.20 0.00 0.00 60.37 58.33 1h67 h HIS 97 Cb 0.01 -0.01 -0.09 0.00 1.55 0.00 0.00 27.41 28.87 1h67 h HIS 97 CO 0.01 1.31 0.34 -0.92 -1.30 0.00 0.00 177.93 177.37 1h67 h TYR 98 N 0.04 0.59 0.00 5.26 3.20 0.19 -3.45 116.97 122.81 1h67 h TYR 98 Ca -0.27 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.63 1h67 h TYR 98 Cb 2.00 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 40.12 1h67 h TYR 98 CO 0.04 0.12 0.00 0.41 -1.64 0.00 0.00 178.16 177.09 1h67 n GLY 99 N -1.32 -0.00 3.68 1.82 0.00 -0.99 -5.07 105.19 103.31 1h67 n GLY 99 Ca 0.14 -0.00 -0.46 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 -1.16 0.45 -2.08 1.61 0.31 -1.04 -4.91 118.33 111.52 1h67 n VAL 100 Ca 0.00 -0.08 -0.41 0.00 -0.01 0.00 0.00 64.34 63.84 1h67 n VAL 100 Cb 0.00 -1.89 -0.02 0.00 -0.91 0.00 0.00 33.84 31.01 1h67 n VAL 100 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1h67 s LYS 101 N 3.23 4.31 0.43 5.55 -2.85 -1.26 -4.24 119.74 124.90 1h67 s LYS 101 Ca 0.88 2.24 0.16 0.00 -1.00 0.00 0.00 55.97 58.24 1h67 s LYS 101 Cb -0.63 -3.11 1.06 0.00 -2.06 0.00 0.00 37.83 33.09 1h67 s LYS 101 CO 0.45 -0.33 1.92 -1.35 0.10 0.00 0.00 175.35 176.14 1h67 h PRO 102 N 4.66 0.40 0.00 1.78 0.11 -1.91 0.78 132.00 137.82 1h67 h PRO 102 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1h67 h PRO 102 Cb 1.22 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1h67 h PRO 102 CO 0.74 0.27 0.00 0.72 -0.21 0.00 0.00 178.00 179.52 1h67 n HIS 103 N -4.48 0.00 -2.77 0.65 8.25 -1.26 -1.51 115.22 114.10 1h67 n HIS 103 Ca 0.15 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.58 1h67 n HIS 103 Cb 0.54 -0.05 0.05 0.00 1.12 0.00 0.00 29.99 31.65 1h67 n HIS 103 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1h67 n ASP 104 N -1.05 1.74 -3.73 0.41 9.92 0.27 -5.07 116.55 119.04 1h67 n ASP 104 Ca 0.03 -2.22 -0.12 0.00 -0.53 0.00 0.00 54.79 51.94 1h67 n ASP 104 Cb 0.02 -0.48 -0.11 0.00 -0.64 0.00 0.00 41.12 39.90 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 -3.76 -0.02 0.00 0.53 1.01 -0.57 -4.01 121.20 114.38 1h67 s ILE 105 Ca 0.28 0.07 0.00 0.00 0.00 0.00 0.00 60.65 61.00 1h67 s ILE 105 Cb 0.35 -0.48 0.00 0.00 0.01 0.00 0.00 42.46 42.34 1h67 s ILE 105 CO -0.03 0.03 0.00 2.22 0.00 0.00 0.00 174.94 177.16 1h67 n PHE 106 N 3.65 -0.24 -3.73 3.97 -1.74 -1.26 -4.96 117.46 113.14 1h67 n PHE 106 Ca -0.19 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.59 1h67 n PHE 106 Cb 0.56 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.50 1h67 n PHE 106 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1h67 s GLU 107 N 0.00 0.93 0.60 3.97 2.02 -1.26 -5.00 118.70 119.96 1h67 s GLU 107 Ca 0.00 -0.72 0.28 0.00 0.02 0.00 0.00 54.97 54.55 1h67 s GLU 107 Cb 0.00 0.40 1.35 0.00 0.10 0.00 0.00 34.13 35.98 1h67 s GLU 107 CO 0.00 -0.33 1.76 0.00 0.02 0.00 0.00 175.26 176.71 1h67 h ALA 108 N 2.71 2.23 0.12 5.21 0.00 -1.94 0.15 119.26 127.75 1h67 h ALA 108 Ca -0.33 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.36 1h67 h ALA 108 Cb 1.22 0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.07 1h67 h ALA 108 CO 0.49 -0.88 -0.85 -0.91 0.00 0.00 0.00 179.25 177.11 1h67 h ASN 109 N 0.00 0.53 -0.39 0.00 -0.26 -1.97 -1.90 115.58 111.59 1h67 h ASN 109 Ca 0.24 -0.91 0.00 0.00 -0.56 0.00 0.00 56.30 55.07 1h67 h ASN 109 Cb 1.48 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 38.55 1h67 h ASN 109 CO -0.00 1.40 0.26 0.44 -1.06 0.00 0.00 177.43 178.46 1h67 h ASP 110 N -0.25 0.45 -0.07 5.81 3.32 -1.10 0.20 116.42 124.79 1h67 h ASP 110 Ca -0.14 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.85 1h67 h ASP 110 Cb 1.64 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 41.07 1h67 h ASP 110 CO 0.16 0.33 -0.16 0.25 -1.72 0.00 0.00 179.24 178.10 1h67 h LEU 111 N 0.53 0.26 0.43 1.55 5.85 -1.51 0.77 115.31 123.19 1h67 h LEU 111 Ca 0.14 -0.58 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 1h67 h LEU 111 Cb -0.06 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1h67 h LEU 111 CO -0.03 0.80 -0.21 0.15 -0.34 0.00 0.00 178.44 178.81 1h67 h PHE 112 N -0.27 -0.54 0.00 1.25 3.57 -1.27 -2.23 116.94 117.46 1h67 h PHE 112 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1h67 h PHE 112 Cb 0.76 0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1h67 h PHE 112 CO 0.12 -0.29 0.00 0.39 -2.23 0.00 0.00 178.31 176.30 1h67 n GLU 113 N -5.31 0.14 -2.29 1.11 1.02 0.69 -4.86 120.64 111.14 1h67 n GLU 113 Ca -0.11 0.34 -0.19 0.00 -0.02 0.00 0.00 57.16 57.18 1h67 n GLU 113 Cb 0.26 -1.74 -0.01 0.00 -0.02 0.00 0.00 31.44 29.93 1h67 n GLU 113 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1h67 n ASN 114 N -2.00 -5.38 0.04 1.62 3.02 -0.06 -4.91 115.26 107.60 1h67 n ASN 114 Ca 0.03 0.02 -0.12 0.00 -0.03 0.00 0.00 54.58 54.48 1h67 n ASN 114 Cb 0.23 -4.45 -0.09 0.00 -0.61 0.00 0.00 39.78 34.87 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 0.00 1.01 -3.55 3.41 1.35 -1.18 -3.43 112.91 110.52 1h67 h THR 115 Ca -0.44 -1.12 -0.61 0.00 -0.55 0.00 0.00 66.41 63.69 1h67 h THR 115 Cb 1.32 1.65 -0.12 0.00 -1.73 0.00 0.00 68.15 69.27 1h67 h THR 115 CO 0.53 0.24 -0.18 0.20 -0.25 0.00 0.00 175.52 176.06 1h67 s ASN 116 N -5.51 6.39 -0.17 5.36 -0.87 -1.19 -4.96 114.94 113.99 1h67 s ASN 116 Ca -0.14 0.46 -0.16 0.00 -1.57 0.00 0.00 52.86 51.46 1h67 s ASN 116 Cb 0.01 -2.23 -0.06 0.00 -0.02 0.00 0.00 41.25 38.94 1h67 s ASN 116 CO 0.54 -0.14 -0.32 1.41 -2.57 0.00 0.00 177.10 176.03 1h67 n HIS 117 N 4.85 0.00 -0.16 2.20 8.25 -1.26 -4.33 115.22 124.77 1h67 n HIS 117 Ca -0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.27 1h67 n HIS 117 Cb 0.51 -0.54 -0.00 0.00 1.12 0.00 0.00 29.99 31.08 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 -0.91 1.27 -0.99 1.59 1.35 -2.00 -2.97 112.91 110.25 1h67 h THR 118 Ca -0.12 -1.36 0.18 0.00 -0.55 0.00 0.00 66.41 64.56 1h67 h THR 118 Cb 1.03 1.12 -0.10 0.00 -1.73 0.00 0.00 68.15 68.47 1h67 h THR 118 CO -0.07 0.47 0.62 -0.61 -0.25 0.00 0.00 175.52 175.67 1h67 h GLN 119 N 0.84 0.75 -0.04 4.72 5.75 -1.98 -0.53 115.11 124.62 1h67 h GLN 119 Ca 0.11 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1h67 h GLN 119 Cb 0.77 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 29.15 1h67 h GLN 119 CO 0.06 0.50 0.03 0.28 -2.65 0.00 0.00 178.83 177.05 1h67 h VAL 120 N 0.77 1.01 -0.62 2.39 2.07 -1.71 -2.54 116.25 117.62 1h67 h VAL 120 Ca 0.55 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 68.04 1h67 h VAL 120 Cb 0.85 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1h67 h VAL 120 CO -0.34 0.01 0.31 1.56 0.02 0.00 0.00 177.57 179.14 1h67 h GLN 121 N 0.06 0.87 -0.97 1.57 4.20 -1.21 -2.53 115.11 117.09 1h67 h GLN 121 Ca 0.02 -0.10 0.18 0.00 0.06 0.00 0.00 58.65 58.80 1h67 h GLN 121 Cb -0.01 -0.17 -0.10 0.00 0.30 0.00 0.00 27.48 27.50 1h67 h GLN 121 CO -0.00 0.66 0.57 1.03 -0.67 0.00 0.00 178.83 180.42 1h67 h SER 122 N 0.87 0.73 -0.41 1.46 0.87 -0.72 -0.89 113.55 115.46 1h67 h SER 122 Ca 0.22 0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.91 1h67 h SER 122 Cb 0.07 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.96 1h67 h SER 122 CO -0.03 0.27 0.20 0.74 -0.53 0.00 0.00 176.83 177.47 1h67 h THR 123 N 0.74 0.96 -0.86 2.23 2.02 -1.34 -2.29 112.91 114.36 1h67 h THR 123 Ca 0.55 -0.14 0.09 0.00 0.77 0.00 0.00 66.41 67.68 1h67 h THR 123 Cb 0.84 0.52 -0.07 0.00 -1.74 0.00 0.00 68.15 67.70 1h67 h THR 123 CO -0.38 0.07 0.52 -0.07 0.37 0.00 0.00 175.52 176.03 1h67 h LEU 124 N 0.40 0.77 -0.23 2.58 4.07 -1.25 -0.86 115.31 120.78 1h67 h LEU 124 Ca 0.18 0.04 0.03 0.00 0.08 0.00 0.00 57.88 58.21 1h67 h LEU 124 Cb 0.10 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 41.69 1h67 h LEU 124 CO -0.13 0.45 0.03 0.40 -1.08 0.00 0.00 178.44 178.11 1h67 h ILE 125 N 0.88 0.87 -0.42 1.22 2.04 -1.15 0.17 117.51 121.12 1h67 h ILE 125 Ca 0.40 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 66.17 1h67 h ILE 125 Cb 0.31 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1h67 h ILE 125 CO -0.22 0.02 0.04 0.00 0.00 0.00 0.00 178.15 177.98 1h67 h ALA 126 N 1.18 0.57 -0.14 1.87 0.00 -1.21 -2.83 119.26 118.70 1h67 h ALA 126 Ca 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1h67 h ALA 126 Cb 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1h67 h ALA 126 CO -0.16 0.32 -0.01 1.25 0.00 0.00 0.00 179.25 180.66 1h67 h LEU 127 N 0.57 0.17 -0.54 0.00 5.85 -0.86 -2.80 115.31 117.70 1h67 h LEU 127 Ca 0.12 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.92 1h67 h LEU 127 Cb 0.43 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 1h67 h LEU 127 CO 0.01 0.22 0.13 0.00 -0.34 0.00 0.00 178.44 178.46 1h67 h ALA 128 N 1.81 0.63 -0.39 1.25 0.00 -0.70 -0.33 119.26 121.53 1h67 h ALA 128 Ca 0.05 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1h67 h ALA 128 Cb 0.14 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1h67 h ALA 128 CO 0.00 -0.29 0.26 0.66 0.00 0.00 0.00 179.25 179.88 1h67 h SER 129 N 0.27 0.38 -0.39 0.00 4.64 -1.58 -2.16 113.55 114.72 1h67 h SER 129 Ca 0.27 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.54 1h67 h SER 129 Cb 0.37 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1h67 h SER 129 CO -0.34 0.27 0.06 1.56 -0.87 0.00 0.00 176.83 177.51 1h67 h GLN 130 N 0.45 0.64 -2.01 4.77 7.50 -1.14 -0.32 115.11 125.00 1h67 h GLN 130 Ca 0.15 -0.18 -0.05 0.00 0.50 0.00 0.00 58.65 59.08 1h67 h GLN 130 Cb 0.06 -0.07 -0.02 0.00 0.05 0.00 0.00 27.48 27.50 1h67 h GLN 130 CO -0.04 0.70 -0.09 0.00 -1.50 0.00 0.00 178.83 177.91 1h67 n ALA 131 N -2.37 4.46 0.00 3.87 0.00 -0.81 -3.47 120.51 122.19 1h67 n ALA 131 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1h67 n ALA 131 Cb 0.23 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1h67 n ALA 131 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1h67 n LYS 132 N 1.78 0.00 -0.18 0.00 2.85 -1.17 -4.95 118.16 116.49 1h67 n LYS 132 Ca 0.10 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.33 1h67 n LYS 132 Cb 0.58 0.00 0.15 0.00 -0.65 0.00 0.00 35.03 35.11 1h67 n LYS 132 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1h67 h THR 133 N 0.00 1.24 0.00 0.58 2.02 -1.09 -3.52 112.91 112.13 1h67 h THR 133 Ca 0.00 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.38 1h67 h THR 133 Cb 0.00 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1h67 h THR 133 CO 0.00 0.31 0.00 0.29 0.37 0.00 0.00 175.52 176.49