#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 4.22 0.00 2.12 0.04 -1.26 -5.02 135.00 135.09 1h67 s PRO 28 Ca 0.00 2.41 0.00 0.00 0.04 0.00 0.00 61.00 63.45 1h67 s PRO 28 Cb 0.00 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.48 1h67 s PRO 28 CO 0.00 -0.46 0.00 1.04 0.04 0.00 0.00 177.00 177.62 1h67 n GLN 29 N 1.74 2.40 -2.59 4.56 6.02 -1.26 -5.05 117.38 123.19 1h67 n GLN 29 Ca 0.05 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 57.00 1h67 n GLN 29 Cb 0.40 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.67 1h67 n GLN 29 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1h67 n THR 30 N 0.00 0.00 0.04 5.09 5.66 -1.26 -4.97 114.28 118.84 1h67 n THR 30 Ca 0.00 -0.75 0.00 0.00 -3.05 0.00 0.00 64.05 60.25 1h67 n THR 30 Cb 0.00 0.65 0.00 0.00 -1.55 0.00 0.00 70.33 69.43 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 -0.52 0.00 -0.05 1.09 4.07 -1.26 -4.93 120.64 119.03 1h67 n GLU 31 Ca -0.22 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.75 1h67 n GLU 31 Cb 0.67 0.00 -0.12 0.00 -0.06 0.00 0.00 31.44 31.94 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 -0.01 -0.39 5.31 2.43 -2.01 -3.24 114.38 116.48 1h67 h ARG 32 Ca 0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1h67 h ARG 32 Cb 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1h67 h ARG 32 CO 0.00 0.83 -0.18 1.96 -1.51 0.00 0.00 179.97 181.07 1h67 h GLN 33 N -0.87 0.74 -0.52 0.20 4.20 -1.94 -3.03 115.11 113.89 1h67 h GLN 33 Ca -0.00 -0.28 0.06 0.00 0.06 0.00 0.00 58.65 58.50 1h67 h GLN 33 Cb 0.84 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.52 1h67 h GLN 33 CO 0.00 0.87 0.22 -0.07 -0.67 0.00 0.00 178.83 179.18 1h67 h LEU 34 N 0.66 0.26 0.17 1.46 3.38 -1.92 0.11 115.31 119.42 1h67 h LEU 34 Ca 0.10 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1h67 h LEU 34 Cb 0.67 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1h67 h LEU 34 CO 0.05 0.17 -0.08 0.03 0.09 0.00 0.00 178.44 178.70 1h67 h ARG 35 N 0.42 -0.22 -0.87 1.13 3.08 -1.56 -2.44 114.38 113.92 1h67 h ARG 35 Ca 0.25 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.32 1h67 h ARG 35 Cb 0.24 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1h67 h ARG 35 CO -0.22 0.00 0.58 0.28 -1.07 0.00 0.00 179.97 179.53 1h67 h VAL 36 N -0.41 1.22 0.33 2.04 2.07 -1.39 -0.46 116.25 119.66 1h67 h VAL 36 Ca -0.02 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1h67 h VAL 36 Cb 0.32 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1h67 h VAL 36 CO 0.04 0.21 -0.16 -0.25 0.02 0.00 0.00 177.57 177.43 1h67 h TRP 37 N 1.18 -0.41 0.03 1.57 7.01 -0.69 0.17 115.95 124.79 1h67 h TRP 37 Ca 0.32 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.31 1h67 h TRP 37 Cb -0.14 0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.06 1h67 h TRP 37 CO -0.00 -0.26 -0.01 0.82 -2.79 0.00 0.00 178.44 176.20 1h67 h ILE 38 N -0.47 1.04 -0.54 2.65 2.04 -1.46 -2.45 117.51 118.33 1h67 h ILE 38 Ca -0.05 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1h67 h ILE 38 Cb 0.34 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1h67 h ILE 38 CO 0.07 0.06 0.34 -0.33 0.00 0.00 0.00 178.15 178.29 1h67 h GLU 39 N -0.13 0.71 -0.69 2.37 5.08 -1.19 -2.45 114.58 118.28 1h67 h GLU 39 Ca -0.00 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1h67 h GLU 39 Cb 0.12 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1h67 h GLU 39 CO 0.01 0.49 0.27 0.78 -1.00 0.00 0.00 179.01 179.55 1h67 h GLY 40 N 0.75 1.12 0.00 -3.84 0.00 -0.38 0.54 103.07 101.26 1h67 h GLY 40 Ca 0.20 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1h67 h GLY 40 CO -0.04 0.58 0.00 0.00 0.00 0.00 0.00 176.54 177.08 1h67 n ALA 41 N -2.40 -0.35 -0.10 3.60 0.00 -0.94 -4.11 120.51 116.20 1h67 n ALA 41 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.36 1h67 n ALA 41 Cb 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.61 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 1.27 0.00 0.00 1.35 -1.63 -3.47 112.91 110.43 1h67 h THR 42 Ca 0.00 -1.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.24 1h67 h THR 42 Cb 0.00 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1h67 h THR 42 CO 0.00 0.54 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 1h67 n GLY 43 N 0.21 3.30 3.70 5.82 0.00 0.19 -5.01 105.19 113.41 1h67 n GLY 43 Ca -0.03 0.00 -0.42 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 -0.63 4.28 0.02 1.61 3.00 -1.26 -4.94 118.95 121.03 1h67 s ARG 44 Ca 0.00 2.12 -0.30 0.00 0.00 0.00 0.00 55.73 57.55 1h67 s ARG 44 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 34.95 31.51 1h67 s ARG 44 CO 0.00 -0.55 1.04 1.03 0.00 0.00 0.00 175.30 176.82 1h67 s ARG 45 N 1.77 4.53 0.25 3.54 1.81 -1.26 -4.66 118.95 124.93 1h67 s ARG 45 Ca 0.67 1.52 -0.03 0.00 -1.72 0.00 0.00 55.73 56.17 1h67 s ARG 45 Cb -0.36 -3.43 0.44 0.00 -0.45 0.00 0.00 34.95 31.15 1h67 s ARG 45 CO 0.30 -0.10 1.81 0.82 -0.68 0.00 0.00 175.30 177.45 1h67 h ILE 46 N 4.69 0.91 -2.01 1.52 2.04 -1.96 -3.48 117.51 119.22 1h67 h ILE 46 Ca -0.41 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1h67 h ILE 46 Cb 1.22 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1h67 h ILE 46 CO 0.77 0.15 -0.50 0.61 0.00 0.00 0.00 178.15 179.18 1h67 n GLY 47 N -1.33 -3.83 7.00 5.37 0.00 -1.26 -4.77 105.19 106.38 1h67 n GLY 47 Ca 0.15 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1h67 n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1h67 n ASP 48 N -1.09 0.00 -4.77 1.61 8.00 -1.26 -4.45 116.55 114.58 1h67 n ASP 48 Ca 0.00 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.10 1h67 n ASP 48 Cb 0.03 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.14 1h67 n ASP 48 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1h67 s ASN 49 N -4.00 6.13 0.08 -2.24 -0.87 -1.26 -4.88 114.94 107.90 1h67 s ASN 49 Ca 0.00 2.93 -0.21 0.00 -1.57 0.00 0.00 52.86 54.01 1h67 s ASN 49 Cb 0.00 -2.66 -0.11 0.00 -0.02 0.00 0.00 41.25 38.47 1h67 s ASN 49 CO 0.00 -1.00 1.57 0.15 -2.57 0.00 0.00 177.10 175.24 1h67 h PHE 50 N 2.66 0.28 0.10 2.20 3.57 -1.97 0.95 116.94 124.73 1h67 h PHE 50 Ca -0.51 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 60.96 1h67 h PHE 50 Cb 1.25 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.91 1h67 h PHE 50 CO 0.52 0.40 -0.05 0.52 -2.23 0.00 0.00 178.31 177.47 1h67 h MET 51 N 0.08 -0.13 -0.94 1.11 0.00 -1.96 -3.16 114.93 109.94 1h67 h MET 51 Ca 0.05 0.01 0.03 0.00 0.00 0.00 0.00 59.70 59.79 1h67 h MET 51 Cb 0.26 0.03 -0.05 0.00 0.00 0.00 0.00 31.60 31.84 1h67 h MET 51 CO 0.00 0.33 0.61 -0.44 0.00 0.00 0.00 176.91 177.42 1h67 h ASP 52 N -0.67 1.03 -0.98 1.22 5.19 -1.91 -2.48 116.42 117.82 1h67 h ASP 52 Ca -0.01 -0.01 0.07 0.00 -0.62 0.00 0.00 57.03 56.45 1h67 h ASP 52 Cb 0.52 -0.24 -0.07 0.00 0.18 0.00 0.00 39.33 39.73 1h67 h ASP 52 CO 0.02 0.71 0.63 1.23 -3.12 0.00 0.00 179.24 178.71 1h67 h GLY 53 N 1.20 1.50 1.14 2.75 0.00 -0.86 -1.53 103.07 107.28 1h67 h GLY 53 Ca 0.37 -0.46 0.11 0.00 0.00 0.00 0.00 47.33 47.35 1h67 h GLY 53 CO -0.11 0.31 0.32 1.41 0.00 0.00 0.00 176.54 178.47 1h67 h LEU 54 N 1.13 0.00 -1.07 3.11 3.38 -1.40 -2.48 115.31 117.97 1h67 h LEU 54 Ca 0.43 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.65 1h67 h LEU 54 Cb 0.20 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.83 1h67 h LEU 54 CO -0.18 0.00 0.61 0.11 0.09 0.00 0.00 178.44 179.07 1h67 h LYS 55 N 0.00 0.54 -0.94 1.13 1.57 -1.35 0.13 116.57 117.65 1h67 h LYS 55 Ca 0.18 -0.03 0.13 0.00 -1.87 0.00 0.00 60.65 59.06 1h67 h LYS 55 Cb 0.82 -0.12 -0.08 0.00 0.08 0.00 0.00 32.23 32.93 1h67 h LYS 55 CO -0.00 0.36 0.60 0.38 -0.57 0.00 0.00 179.45 180.22 1h67 h ASP 56 N 0.56 0.78 0.00 0.86 3.04 -1.64 -3.45 116.42 116.58 1h67 h ASP 56 Ca 0.63 0.04 0.00 0.00 -3.24 0.00 0.00 57.03 54.47 1h67 h ASP 56 Cb 1.26 -0.11 0.00 0.00 -1.04 0.00 0.00 39.33 39.43 1h67 h ASP 56 CO -0.44 0.41 0.00 0.61 -2.04 0.00 0.00 179.24 177.78 1h67 n GLY 57 N -1.39 1.09 0.14 7.15 0.00 0.44 -4.58 105.19 108.05 1h67 n GLY 57 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 -0.21 0.05 1.61 0.31 -1.26 0.14 118.33 118.97 1h67 n VAL 58 Ca 0.00 0.87 -0.12 0.00 -0.01 0.00 0.00 64.34 65.08 1h67 n VAL 58 Cb 0.00 -1.13 -0.07 0.00 -0.91 0.00 0.00 33.84 31.73 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 0.99 -0.59 2.52 2.04 -1.94 0.21 117.51 120.74 1h67 h ILE 59 Ca 0.11 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.95 1h67 h ILE 59 Cb 0.20 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1h67 h ILE 59 CO -0.36 0.01 0.35 -0.07 0.00 0.00 0.00 178.15 178.08 1h67 h LEU 60 N -0.03 0.72 -0.95 1.44 3.38 0.81 0.18 115.31 120.86 1h67 h LEU 60 Ca -0.00 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.96 1h67 h LEU 60 Cb 0.02 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 1h67 h LEU 60 CO 0.00 0.57 0.61 0.00 0.09 0.00 0.00 178.44 179.72 1h67 h GLU 62 N 1.14 0.48 -0.09 0.00 4.39 0.33 -2.79 114.58 118.05 1h67 h GLU 62 Ca 0.40 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.88 1h67 h GLU 62 Cb 0.11 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1h67 h GLU 62 CO -0.16 0.72 -0.07 1.25 -1.16 0.00 0.00 179.01 179.60 1h67 h LEU 63 N 0.42 0.21 -0.96 1.33 5.85 0.10 -3.24 115.31 119.02 1h67 h LEU 63 Ca 0.06 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1h67 h LEU 63 Cb 0.72 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 1h67 h LEU 63 CO 0.05 0.62 0.55 -0.29 -0.34 0.00 0.00 178.44 179.04 1h67 h ILE 64 N -0.21 1.26 -0.49 4.05 6.09 -0.93 -1.43 117.51 125.85 1h67 h ILE 64 Ca 0.02 -0.58 0.14 0.00 -1.37 0.00 0.00 64.86 63.07 1h67 h ILE 64 Cb 0.56 -0.04 -0.02 0.00 0.47 0.00 0.00 36.82 37.79 1h67 h ILE 64 CO 0.02 0.27 0.49 0.78 -3.07 0.00 0.00 178.15 176.64 1h67 h ASN 65 N 1.29 0.00 0.12 2.19 2.35 -1.52 0.89 115.58 120.90 1h67 h ASN 65 Ca 0.33 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.08 1h67 h ASN 65 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1h67 h ASN 65 CO -0.06 0.00 -0.06 0.11 -1.65 0.00 0.00 177.43 175.77 1h67 h LYS 66 N 0.00 -0.16 0.12 0.81 1.79 -1.33 -3.38 116.57 114.43 1h67 h LYS 66 Ca 0.23 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.71 1h67 h LYS 66 Cb 1.21 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1h67 h LYS 66 CO -0.00 0.26 -0.06 -0.07 -1.08 0.00 0.00 179.45 178.50 1h67 h LEU 67 N -0.64 -0.14 -9.40 2.94 3.38 -1.03 -3.45 115.31 106.98 1h67 h LEU 67 Ca -0.02 -0.07 -0.57 0.00 0.09 0.00 0.00 57.88 57.31 1h67 h LEU 67 Cb 0.49 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 1h67 h LEU 67 CO 0.03 0.38 -0.08 -1.58 0.09 0.00 0.00 178.44 177.27 1h67 s GLN 68 N -2.18 4.32 0.17 1.13 0.74 0.29 -5.05 119.66 119.08 1h67 s GLN 68 Ca -0.04 0.57 -0.30 0.00 0.05 0.00 0.00 55.36 55.64 1h67 s GLN 68 Cb 0.00 -3.40 -0.08 0.00 1.10 0.00 0.00 33.01 30.63 1h67 s GLN 68 CO 0.13 0.22 1.22 -1.25 -0.55 0.00 0.00 175.29 175.07 1h67 s PRO 69 N 0.37 4.46 -1.53 1.67 0.04 -1.26 -3.54 135.00 135.21 1h67 s PRO 69 Ca 0.29 1.90 -0.12 0.00 0.04 0.00 0.00 61.00 63.11 1h67 s PRO 69 Cb -0.16 -3.24 0.08 0.00 0.04 0.00 0.00 34.50 31.22 1h67 s PRO 69 CO 0.13 -0.14 0.87 0.41 0.04 0.00 0.00 177.00 178.31 1h67 n GLY 70 N 2.36 -0.44 0.17 0.56 0.00 -1.26 -4.88 105.19 101.70 1h67 n GLY 70 Ca 0.05 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.93 0.46 -3.67 1.61 0.02 -1.87 -3.43 113.55 104.73 1h67 h SER 71 Ca -0.59 -0.16 -0.33 0.00 -0.84 0.00 0.00 61.79 59.87 1h67 h SER 71 Cb 1.38 -0.12 -0.31 0.00 0.14 0.00 0.00 62.40 63.49 1h67 h SER 71 CO 0.68 0.49 -0.75 -0.69 -1.14 0.00 0.00 176.83 175.42 1h67 s VAL 72 N -5.57 0.29 0.00 2.27 1.01 -1.26 -4.76 120.40 112.38 1h67 s VAL 72 Ca -0.13 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1h67 s VAL 72 Cb 0.09 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 36.16 1h67 s VAL 72 CO 0.74 0.13 0.00 0.00 0.00 0.00 0.00 175.10 175.96 1h67 n GLN 73 N 3.55 2.07 -1.71 2.72 6.02 -1.26 -4.81 117.38 123.94 1h67 n GLN 73 Ca -0.20 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.37 1h67 n GLN 73 Cb 0.54 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.77 1h67 n GLN 73 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1h67 s LYS 74 N 0.00 4.14 0.02 -1.09 2.20 -1.26 -4.93 119.74 118.82 1h67 s LYS 74 Ca 0.00 2.59 -0.30 0.00 -0.36 0.00 0.00 55.97 57.90 1h67 s LYS 74 Cb 0.00 -3.71 -0.05 0.00 -1.51 0.00 0.00 37.83 32.56 1h67 s LYS 74 CO 0.00 -0.86 1.16 0.08 -0.36 0.00 0.00 175.35 175.37 1h67 s VAL 75 N 3.10 4.22 -0.12 4.02 1.01 -1.26 -5.02 120.40 126.35 1h67 s VAL 75 Ca 0.82 1.59 -0.16 0.00 0.00 0.00 0.00 61.98 64.23 1h67 s VAL 75 Cb -0.45 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 31.87 1h67 s VAL 75 CO 0.37 0.09 0.39 0.20 0.00 0.00 0.00 175.10 176.15 1h67 s ASN 76 N 1.15 6.59 0.29 3.32 0.01 -1.26 -5.06 114.94 119.98 1h67 s ASN 76 Ca 0.57 0.70 -0.29 0.00 -0.71 0.00 0.00 52.86 53.13 1h67 s ASN 76 Cb -0.27 -2.23 -0.10 0.00 0.41 0.00 0.00 41.25 39.06 1h67 s ASN 76 CO 0.27 0.09 1.29 -1.81 -1.51 0.00 0.00 177.10 175.44 1h67 s ASP 77 N 0.32 6.85 0.00 -1.22 1.01 -1.26 -4.80 116.67 117.57 1h67 s ASP 77 Ca 0.22 2.58 0.00 0.00 0.71 0.00 0.00 52.55 56.05 1h67 s ASP 77 Cb -0.14 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.15 1h67 s ASP 77 CO 0.08 -0.50 1.26 -0.81 0.21 0.00 0.00 175.17 175.41 1h67 n PRO 78 N 1.36 0.73 -0.04 8.23 -0.04 -1.26 -4.14 135.00 139.84 1h67 n PRO 78 Ca 0.02 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.41 1h67 n PRO 78 Cb 0.42 -1.14 -0.06 0.00 -0.04 0.00 0.00 33.50 32.69 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 1.01 0.76 0.00 0.52 2.07 -2.00 -3.46 116.25 115.14 1h67 h VAL 79 Ca 0.00 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.02 1h67 h VAL 79 Cb 0.73 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1h67 h VAL 79 CO 0.00 0.25 0.00 0.00 0.02 0.00 0.00 177.57 177.84 1h67 n GLN 80 N -4.75 0.00 0.00 1.57 1.13 -1.26 -5.07 117.38 109.00 1h67 n GLN 80 Ca -0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 1h67 n GLN 80 Cb 0.21 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.56 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 0.23 1.08 3.02 -1.26 -4.86 115.26 113.47 1h67 n ASN 81 Ca 0.00 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.71 1h67 n ASN 81 Cb 0.00 0.11 0.67 0.00 -0.61 0.00 0.00 39.78 39.95 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 -0.50 3.10 5.08 -1.97 -2.96 115.95 118.70 1h67 h TRP 82 Ca 0.00 0.00 0.04 0.00 1.08 0.00 0.00 58.89 60.01 1h67 h TRP 82 Cb 0.00 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.12 1h67 h TRP 82 CO 0.00 0.00 0.26 0.45 -1.28 0.00 0.00 178.44 177.87 1h67 h HIS 83 N 0.00 0.47 -0.84 0.12 3.86 -1.89 -2.01 115.15 114.86 1h67 h HIS 83 Ca 0.00 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1h67 h HIS 83 Cb 0.40 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.69 1h67 h HIS 83 CO 0.00 0.24 0.51 0.87 0.86 0.00 0.00 177.93 180.41 1h67 h LYS 84 N 0.50 1.14 -0.85 2.45 1.57 -1.76 -2.20 116.57 117.41 1h67 h LYS 84 Ca 0.22 -0.10 0.15 0.00 -1.87 0.00 0.00 60.65 59.05 1h67 h LYS 84 Cb 0.12 -0.24 -0.06 0.00 0.08 0.00 0.00 32.23 32.12 1h67 h LYS 84 CO -0.15 0.79 0.56 -0.07 -0.57 0.00 0.00 179.45 180.01 1h67 h LEU 85 N 1.15 0.54 -0.05 2.94 3.38 -1.47 0.11 115.31 121.93 1h67 h LEU 85 Ca 0.30 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.23 1h67 h LEU 85 Cb -0.06 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1h67 h LEU 85 CO -0.06 0.27 -0.29 -0.08 0.09 0.00 0.00 178.44 178.37 1h67 h GLU 86 N 0.57 0.28 -0.74 1.13 4.81 -1.15 -1.58 114.58 117.89 1h67 h GLU 86 Ca 0.43 -0.24 0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1h67 h GLU 86 Cb 0.82 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.21 1h67 h GLU 86 CO -0.18 0.90 0.48 -0.91 -0.73 0.00 0.00 179.01 178.57 1h67 h ASN 87 N -0.26 0.81 -0.35 1.04 -0.26 -0.97 -1.56 115.58 114.03 1h67 h ASN 87 Ca -0.02 -0.01 -0.08 0.00 -0.56 0.00 0.00 56.30 55.63 1h67 h ASN 87 Cb 0.97 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 38.03 1h67 h ASN 87 CO 0.06 0.57 -0.09 0.40 -1.06 0.00 0.00 177.43 177.30 1h67 h ILE 88 N 0.95 1.28 -0.17 2.81 2.04 -0.85 -1.16 117.51 122.42 1h67 h ILE 88 Ca 0.29 -1.16 0.01 0.00 1.00 0.00 0.00 64.86 64.99 1h67 h ILE 88 Cb -0.04 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1h67 h ILE 88 CO -0.09 0.38 0.09 1.23 0.00 0.00 0.00 178.15 179.76 1h67 h GLY 89 N 0.46 0.23 1.06 5.37 0.00 -0.91 -0.86 103.07 108.42 1h67 h GLY 89 Ca 0.09 -0.07 -0.13 0.00 0.00 0.00 0.00 47.33 47.22 1h67 h GLY 89 CO 0.04 0.06 -0.27 3.43 0.00 0.00 0.00 176.54 179.80 1h67 h ASN 90 N 0.19 0.91 0.26 0.19 2.35 -1.32 -1.29 115.58 116.88 1h67 h ASN 90 Ca 0.07 -0.43 -0.01 0.00 -0.55 0.00 0.00 56.30 55.37 1h67 h ASN 90 Cb 0.00 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.12 1h67 h ASN 90 CO -0.04 1.15 -0.14 0.15 -1.65 0.00 0.00 177.43 176.90 1h67 h PHE 91 N 0.68 -0.36 -0.43 1.19 3.57 -1.06 0.14 116.94 120.67 1h67 h PHE 91 Ca 0.08 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1h67 h PHE 91 Cb 0.84 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 1h67 h PHE 91 CO 0.06 -0.22 0.11 -0.07 -2.23 0.00 0.00 178.31 175.96 1h67 h LEU 92 N -0.37 0.65 -1.09 0.59 3.38 -1.20 -0.38 115.31 116.89 1h67 h LEU 92 Ca -0.03 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.73 1h67 h LEU 92 Cb 0.29 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 1h67 h LEU 92 CO 0.05 0.71 0.61 -0.09 0.09 0.00 0.00 178.44 179.81 1h67 h ARG 93 N 0.56 1.18 -0.16 1.13 2.43 -1.10 0.23 114.38 118.64 1h67 h ARG 93 Ca 0.14 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 1h67 h ARG 93 Cb 0.31 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1h67 h ARG 93 CO 0.00 0.78 -0.25 0.00 -1.51 0.00 0.00 179.97 178.99 1h67 h ALA 94 N 1.44 0.25 -0.29 2.80 0.00 -0.41 -2.96 119.26 120.08 1h67 h ALA 94 Ca 0.36 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1h67 h ALA 94 Cb -0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1h67 h ALA 94 CO -0.09 0.23 -0.49 -0.84 0.00 0.00 0.00 179.25 178.05 1h67 h ILE 95 N 0.09 1.28 -0.98 0.00 3.07 -0.77 0.43 117.51 120.62 1h67 h ILE 95 Ca 0.01 -1.68 0.03 0.00 1.55 0.00 0.00 64.86 64.77 1h67 h ILE 95 Cb 0.83 1.58 -0.05 0.00 -0.27 0.00 0.00 36.82 38.90 1h67 h ILE 95 CO 0.06 0.55 0.64 0.11 -1.05 0.00 0.00 178.15 178.46 1h67 h LYS 96 N 0.64 1.22 0.07 0.16 1.57 -0.62 -2.35 116.57 117.26 1h67 h LYS 96 Ca 0.03 -0.07 -0.30 0.00 -1.87 0.00 0.00 60.65 58.43 1h67 h LYS 96 Cb 1.08 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 1h67 h LYS 96 CO 0.11 0.81 -1.60 1.25 -0.57 0.00 0.00 179.45 179.45 1h67 h HIS 97 N 1.26 0.27 -0.74 -1.35 2.76 -1.47 -3.36 115.15 112.52 1h67 h HIS 97 Ca 0.38 -0.20 0.13 0.00 -2.20 0.00 0.00 60.37 58.49 1h67 h HIS 97 Cb -0.04 -0.01 -0.09 0.00 1.55 0.00 0.00 27.41 28.82 1h67 h HIS 97 CO -0.00 1.28 0.30 -0.92 -1.30 0.00 0.00 177.93 177.29 1h67 h TYR 98 N 0.04 0.51 0.00 5.26 3.20 0.22 -3.45 116.97 122.75 1h67 h TYR 98 Ca -0.26 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.65 1h67 h TYR 98 Cb 1.99 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 40.15 1h67 h TYR 98 CO 0.04 0.08 0.00 0.41 -1.64 0.00 0.00 178.16 177.05 1h67 n GLY 99 N -1.32 0.46 3.69 1.82 0.00 -0.92 -5.07 105.19 103.85 1h67 n GLY 99 Ca 0.13 -0.03 -0.45 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 0.18 -2.05 1.61 0.31 -0.99 -4.92 118.33 112.46 1h67 n VAL 100 Ca 0.00 -0.03 -0.41 0.00 -0.01 0.00 0.00 64.34 63.89 1h67 n VAL 100 Cb 0.00 -1.83 -0.02 0.00 -0.91 0.00 0.00 33.84 31.08 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 1.87 4.30 0.26 5.55 1.02 -1.26 -4.07 119.74 127.41 1h67 s LYS 101 Ca 0.81 2.29 -0.02 0.00 0.02 0.00 0.00 55.97 59.06 1h67 s LYS 101 Cb -0.59 -3.06 0.46 0.00 -0.52 0.00 0.00 37.83 34.12 1h67 s LYS 101 CO 0.38 -0.27 1.81 -1.35 -0.92 0.00 0.00 175.35 175.01 1h67 h PRO 102 N 3.51 0.82 -0.08 -1.68 0.11 -1.91 0.74 132.00 133.51 1h67 h PRO 102 Ca -0.49 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.59 1h67 h PRO 102 Cb 1.23 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1h67 h PRO 102 CO 0.67 0.55 0.12 0.45 -0.21 0.00 0.00 178.00 179.57 1h67 h HIS 103 N 0.85 0.00 -0.78 0.65 3.86 -2.00 0.87 115.15 118.60 1h67 h HIS 103 Ca 0.44 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 59.14 1h67 h HIS 103 Cb 0.43 0.00 -0.29 0.00 1.06 0.00 0.00 27.41 28.61 1h67 h HIS 103 CO -0.04 0.00 0.15 -0.25 0.86 0.00 0.00 177.93 178.65 1h67 n ASP 104 N -3.61 5.27 -3.73 2.45 8.00 0.24 -4.93 116.55 120.24 1h67 n ASP 104 Ca -0.01 -3.76 -0.12 0.00 0.71 0.00 0.00 54.79 51.60 1h67 n ASP 104 Cb 0.21 -0.70 -0.13 0.00 -0.02 0.00 0.00 41.12 40.47 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 -4.23 -0.04 0.41 0.53 1.01 0.30 -4.31 121.20 114.87 1h67 s ILE 105 Ca 0.55 0.15 -0.25 0.00 0.00 0.00 0.00 60.65 61.10 1h67 s ILE 105 Cb 0.46 -0.37 -0.08 0.00 0.01 0.00 0.00 42.46 42.47 1h67 s ILE 105 CO 0.02 0.06 1.13 0.72 0.00 0.00 0.00 174.94 176.87 1h67 s PHE 106 N 1.21 3.10 0.58 3.97 -0.12 -1.26 -4.93 117.98 120.54 1h67 s PHE 106 Ca -0.09 1.58 -0.08 0.00 -0.05 0.00 0.00 56.93 58.29 1h67 s PHE 106 Cb -0.10 -3.32 -0.02 0.00 -0.63 0.00 0.00 43.02 38.95 1h67 s PHE 106 CO -0.08 -1.14 0.94 -1.21 -0.05 0.00 0.00 175.22 173.68 1h67 s GLU 107 N -2.39 3.36 0.59 1.99 2.02 -1.26 -4.90 118.70 118.11 1h67 s GLU 107 Ca 0.58 0.41 0.29 0.00 0.02 0.00 0.00 54.97 56.27 1h67 s GLU 107 Cb -0.28 -2.20 1.47 0.00 0.10 0.00 0.00 34.13 33.22 1h67 s GLU 107 CO 0.35 -0.54 1.88 0.00 0.02 0.00 0.00 175.26 176.97 1h67 h ALA 108 N -0.17 2.23 0.11 5.21 0.00 -1.96 0.36 119.26 125.04 1h67 h ALA 108 Ca -0.45 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.10 1h67 h ALA 108 Cb 1.21 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1h67 h ALA 108 CO 0.62 -0.76 -1.81 -2.95 0.00 0.00 0.00 179.25 174.35 1h67 h ASN 109 N 0.00 0.37 -0.86 0.00 -1.07 -1.97 -2.66 115.58 109.39 1h67 h ASN 109 Ca 0.23 -0.69 0.13 0.00 0.07 0.00 0.00 56.30 56.04 1h67 h ASN 109 Cb 1.24 -0.12 -0.09 0.00 -2.07 0.00 0.00 38.32 37.29 1h67 h ASN 109 CO -0.00 1.61 0.47 0.44 0.07 0.00 0.00 177.43 180.01 1h67 h ASP 110 N 0.06 0.61 0.01 6.14 5.19 -1.28 0.44 116.42 127.59 1h67 h ASP 110 Ca -0.35 0.08 -0.14 0.00 -0.62 0.00 0.00 57.03 56.00 1h67 h ASP 110 Cb 2.04 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 41.50 1h67 h ASP 110 CO 0.12 0.29 -0.73 0.25 -3.12 0.00 0.00 179.24 176.04 1h67 h LEU 111 N 0.70 0.03 0.83 1.55 5.85 -1.63 -2.65 115.31 119.99 1h67 h LEU 111 Ca 0.45 -0.74 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 1h67 h LEU 111 Cb 0.58 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.61 1h67 h LEU 111 CO -0.33 1.29 -0.40 0.15 -0.34 0.00 0.00 178.44 178.82 1h67 h PHE 112 N -0.95 -1.03 0.00 1.25 3.57 -1.33 -2.28 116.94 116.16 1h67 h PHE 112 Ca -0.20 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.28 1h67 h PHE 112 Cb 1.21 0.34 0.00 0.00 2.79 0.00 0.00 35.95 40.29 1h67 h PHE 112 CO 0.18 -0.63 0.00 0.39 -2.23 0.00 0.00 178.31 176.01 1h67 n GLU 113 N -5.54 0.55 -2.23 1.11 -0.58 0.15 -4.81 120.64 109.28 1h67 n GLU 113 Ca -0.15 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.55 1h67 n GLU 113 Cb 0.45 -1.40 -0.01 0.00 -0.57 0.00 0.00 31.44 29.91 1h67 n GLU 113 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1h67 n ASN 114 N -0.90 -1.94 -0.02 1.62 0.23 -0.86 -4.79 115.26 108.60 1h67 n ASN 114 Ca 0.10 0.33 -0.16 0.00 -0.53 0.00 0.00 54.58 54.33 1h67 n ASN 114 Cb 0.05 -1.81 -0.11 0.00 -2.08 0.00 0.00 39.78 35.84 1h67 n ASN 114 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1h67 h THR 115 N 0.00 1.48 -2.91 5.53 1.03 -1.67 -3.44 112.91 112.92 1h67 h THR 115 Ca -0.11 -1.90 -0.64 0.00 -0.01 0.00 0.00 66.41 63.75 1h67 h THR 115 Cb 0.94 2.58 -0.09 0.00 -1.07 0.00 0.00 68.15 70.51 1h67 h THR 115 CO 0.13 0.54 -0.47 0.21 -0.01 0.00 0.00 175.52 175.92 1h67 s ASN 116 N -6.44 6.33 -0.03 0.00 3.84 -1.02 -4.98 114.94 112.64 1h67 s ASN 116 Ca -0.15 0.39 -0.01 0.00 0.21 0.00 0.00 52.86 53.31 1h67 s ASN 116 Cb 0.02 -2.09 -0.01 0.00 -0.55 0.00 0.00 41.25 38.62 1h67 s ASN 116 CO 0.77 0.31 -0.03 1.41 -2.79 0.00 0.00 177.10 176.77 1h67 n HIS 117 N 2.62 0.00 -0.05 0.43 8.25 -1.26 -4.52 115.22 120.70 1h67 n HIS 117 Ca -0.18 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.19 1h67 n HIS 117 Cb 0.54 -0.10 -0.02 0.00 1.12 0.00 0.00 29.99 31.52 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 -0.06 0.99 -0.81 1.59 1.35 -1.99 -2.35 112.91 111.64 1h67 h THR 118 Ca -0.07 -0.08 0.05 0.00 -0.55 0.00 0.00 66.41 65.76 1h67 h THR 118 Cb 1.08 0.74 -0.05 0.00 -1.73 0.00 0.00 68.15 68.18 1h67 h THR 118 CO -0.03 0.04 0.50 -0.61 -0.25 0.00 0.00 175.52 175.17 1h67 h GLN 119 N 0.23 0.91 -0.34 4.72 5.75 -1.99 -0.74 115.11 123.65 1h67 h GLN 119 Ca 0.09 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.55 1h67 h GLN 119 Cb 0.03 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.35 1h67 h GLN 119 CO -0.07 0.61 0.20 0.28 -2.65 0.00 0.00 178.83 177.19 1h67 h VAL 120 N 0.94 1.03 -0.34 2.39 2.07 -1.72 -0.22 116.25 120.40 1h67 h VAL 120 Ca 0.34 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.69 1h67 h VAL 120 Cb 0.10 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1h67 h VAL 120 CO -0.15 0.07 0.11 -0.61 0.02 0.00 0.00 177.57 177.01 1h67 h GLN 121 N 0.40 0.53 -0.77 1.57 4.15 -0.96 -2.98 115.11 117.06 1h67 h GLN 121 Ca 0.14 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 59.42 1h67 h GLN 121 Cb 0.01 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.58 1h67 h GLN 121 CO -0.07 0.56 0.38 0.77 -1.93 0.00 0.00 178.83 178.54 1h67 h SER 122 N 0.40 0.99 -0.58 -0.69 0.02 -0.91 -2.88 113.55 109.90 1h67 h SER 122 Ca 0.11 -0.11 0.09 0.00 -0.84 0.00 0.00 61.79 61.05 1h67 h SER 122 Cb 0.25 -0.25 -0.07 0.00 0.14 0.00 0.00 62.40 62.46 1h67 h SER 122 CO -0.00 0.83 0.19 0.74 -1.14 0.00 0.00 176.83 177.44 1h67 h THR 123 N 1.09 0.75 -0.82 -2.27 2.02 -0.88 -1.44 112.91 111.36 1h67 h THR 123 Ca 0.27 -0.12 0.14 0.00 0.77 0.00 0.00 66.41 67.46 1h67 h THR 123 Cb 0.09 0.36 -0.09 0.00 -1.74 0.00 0.00 68.15 66.77 1h67 h THR 123 CO -0.04 0.06 0.41 -0.07 0.37 0.00 0.00 175.52 176.26 1h67 h LEU 124 N 0.35 0.49 -0.83 2.58 3.38 -1.47 -0.38 115.31 119.43 1h67 h LEU 124 Ca 0.30 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.31 1h67 h LEU 124 Cb 0.38 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1h67 h LEU 124 CO -0.32 0.22 0.34 0.40 0.09 0.00 0.00 178.44 179.16 1h67 h ILE 125 N 0.60 1.26 -0.21 1.22 2.04 -1.33 -2.50 117.51 118.59 1h67 h ILE 125 Ca 0.44 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 65.50 1h67 h ILE 125 Cb 0.61 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1h67 h ILE 125 CO -0.35 0.33 0.12 0.00 0.00 0.00 0.00 178.15 178.25 1h67 h ALA 126 N 1.19 0.26 -0.89 1.87 0.00 -0.65 -2.48 119.26 118.56 1h67 h ALA 126 Ca 0.27 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1h67 h ALA 126 Cb 0.19 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1h67 h ALA 126 CO -0.03 -0.28 0.58 -0.07 0.00 0.00 0.00 179.25 179.46 1h67 h LEU 127 N 0.26 0.99 -0.91 0.00 -0.00 -1.24 -2.06 115.31 112.34 1h67 h LEU 127 Ca 0.08 -0.01 0.08 0.00 -0.00 0.00 0.00 57.88 58.02 1h67 h LEU 127 Cb -0.01 -0.23 -0.07 0.00 -0.00 0.00 0.00 40.66 40.35 1h67 h LEU 127 CO -0.03 0.69 0.57 0.00 -0.00 0.00 0.00 178.44 179.66 1h67 h ALA 128 N 1.35 1.29 -0.89 1.53 0.00 -1.05 -0.04 119.26 121.45 1h67 h ALA 128 Ca 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1h67 h ALA 128 Cb -0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 1h67 h ALA 128 CO -0.10 0.27 0.51 1.03 0.00 0.00 0.00 179.25 180.96 1h67 h SER 129 N 0.99 1.09 0.21 0.00 0.87 -0.95 -0.01 113.55 115.75 1h67 h SER 129 Ca 0.41 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.88 1h67 h SER 129 Cb 0.26 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1h67 h SER 129 CO -0.20 0.86 -0.10 1.56 -0.53 0.00 0.00 176.83 178.41 1h67 h GLN 130 N 1.23 -0.27 -0.81 2.24 7.50 -1.04 -3.02 115.11 120.95 1h67 h GLN 130 Ca 0.32 0.02 0.07 0.00 0.50 0.00 0.00 58.65 59.55 1h67 h GLN 130 Cb -0.01 0.06 -0.05 0.00 0.05 0.00 0.00 27.48 27.53 1h67 h GLN 130 CO -0.06 0.09 0.53 0.00 -1.50 0.00 0.00 178.83 177.90 1h67 h ALA 131 N -0.05 1.63 -0.11 3.87 0.00 -0.96 -1.04 119.26 122.60 1h67 h ALA 131 Ca -0.03 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1h67 h ALA 131 Cb 0.49 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1h67 h ALA 131 CO 0.05 0.25 -0.01 -0.22 0.00 0.00 0.00 179.25 179.31 1h67 h LYS 132 N 0.87 0.03 -0.28 0.00 3.64 -0.99 -2.99 116.57 116.85 1h67 h LYS 132 Ca 0.35 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.63 1h67 h LYS 132 Cb 0.25 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1h67 h LYS 132 CO -0.13 0.02 -0.20 1.79 -2.27 0.00 0.00 179.45 178.66 1h67 h THR 133 N 0.03 1.30 0.00 1.00 1.35 -1.31 -3.51 112.91 111.77 1h67 h THR 133 Ca 0.05 -1.33 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 1h67 h THR 133 Cb 0.07 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1h67 h THR 133 CO -0.10 0.42 0.00 0.29 -0.25 0.00 0.00 175.52 175.89