#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 2.52 0.00 3.17 -0.04 -1.26 -5.11 135.00 134.28 1h67 n PRO 28 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1h67 n PRO 28 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1h67 n PRO 28 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1h67 n GLN 29 N 0.00 0.00 0.00 0.54 10.64 -1.26 -5.18 117.38 122.12 1h67 n GLN 29 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1h67 n GLN 29 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1h67 n GLN 29 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1h67 n THR 30 N 0.00 0.00 0.00 -0.39 -2.24 -1.26 -4.72 114.28 105.67 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 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1h67 n THR 30 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1h67 n GLU 31 N 0.00 0.00 -0.36 -0.78 2.13 -1.26 -1.11 120.64 119.26 1h67 n GLU 31 Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 1h67 n GLU 31 Cb 0.00 0.00 0.18 0.00 0.27 0.00 0.00 31.44 31.89 1h67 n GLU 31 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1h67 h ARG 32 N 0.00 1.09 -0.24 5.31 9.65 -1.99 -2.03 114.38 126.16 1h67 h ARG 32 Ca 0.00 -0.07 0.02 0.00 -1.10 0.00 0.00 59.98 58.84 1h67 h ARG 32 Cb 0.00 -0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 28.31 1h67 h ARG 32 CO 0.00 0.72 0.10 0.37 2.80 0.00 0.00 179.97 183.95 1h67 h GLN 33 N 1.12 0.21 -0.35 0.20 -0.00 -1.47 -0.74 115.11 114.07 1h67 h GLN 33 Ca 0.43 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 59.06 1h67 h GLN 33 Cb 0.21 -0.05 -0.02 0.00 0.00 0.00 0.00 27.48 27.63 1h67 h GLN 33 CO -0.19 0.14 0.18 -0.07 0.00 0.00 0.00 178.83 178.89 1h67 h LEU 34 N 0.22 0.46 0.24 -2.39 3.38 -1.55 -0.79 115.31 114.88 1h67 h LEU 34 Ca 0.10 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1h67 h LEU 34 Cb 0.06 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1h67 h LEU 34 CO -0.09 0.44 -0.12 -0.09 0.09 0.00 0.00 178.44 178.67 1h67 h ARG 35 N 0.44 -0.32 -0.77 1.13 2.43 -1.17 -2.55 114.38 113.58 1h67 h ARG 35 Ca 0.12 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1h67 h ARG 35 Cb 0.10 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 1h67 h ARG 35 CO -0.02 -0.17 0.33 0.28 -1.51 0.00 0.00 179.97 178.89 1h67 h VAL 36 N -0.39 1.25 0.00 0.20 2.07 -1.12 -2.05 116.25 116.21 1h67 h VAL 36 Ca -0.03 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1h67 h VAL 36 Cb 0.30 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1h67 h VAL 36 CO 0.06 0.31 0.00 1.87 0.02 0.00 0.00 177.57 179.82 1h67 n TRP 37 N -4.30 0.00 0.08 1.57 -0.00 -0.31 -0.72 117.44 113.77 1h67 n TRP 37 Ca 0.07 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.45 1h67 n TRP 37 Cb 0.16 -0.39 -0.07 0.00 -0.00 0.00 0.00 31.31 31.01 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 0.92 -0.63 5.87 2.04 -1.56 -0.04 117.51 124.11 1h67 h ILE 38 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1h67 h ILE 38 Cb 0.00 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 1h67 h ILE 38 CO 0.00 0.00 0.39 -0.33 0.00 0.00 0.00 178.15 178.21 1h67 h GLU 39 N -0.11 0.74 -0.11 2.37 5.08 -1.49 -2.05 114.58 119.00 1h67 h GLU 39 Ca -0.01 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 1h67 h GLU 39 Cb 0.08 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1h67 h GLU 39 CO 0.01 0.49 -0.28 0.78 -1.00 0.00 0.00 179.01 179.01 1h67 h GLY 40 N 0.76 0.22 0.00 -3.84 0.00 -0.74 -0.16 103.07 99.31 1h67 h GLY 40 Ca 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1h67 h GLY 40 CO -0.11 0.16 0.00 0.00 0.00 0.00 0.00 176.54 176.59 1h67 n ALA 41 N -2.48 -0.33 -0.07 3.60 0.00 -0.05 -4.34 120.51 116.84 1h67 n ALA 41 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 1h67 n ALA 41 Cb 0.38 0.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.87 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 0.68 0.00 0.00 1.35 -1.64 -3.49 112.91 109.80 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 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1h67 h THR 42 CO 0.00 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 176.11 1h67 n GLY 43 N 1.62 0.74 3.22 5.82 0.00 -0.08 -5.11 105.19 111.39 1h67 n GLY 43 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 2.98 -0.04 1.61 1.81 -1.15 -5.00 118.95 119.15 1h67 s ARG 44 Ca 0.00 -0.87 0.00 0.00 -1.72 0.00 0.00 55.73 53.14 1h67 s ARG 44 Cb 0.00 -2.27 0.05 0.00 -0.45 0.00 0.00 34.95 32.28 1h67 s ARG 44 CO 0.00 0.20 1.29 0.54 -0.68 0.00 0.00 175.30 176.65 1h67 n ARG 45 N 3.47 1.11 0.00 3.54 5.12 -1.26 -4.13 116.66 124.50 1h67 n ARG 45 Ca -0.19 -0.24 0.00 0.00 -1.93 0.00 0.00 57.85 55.49 1h67 n ARG 45 Cb 0.53 -1.09 0.00 0.00 -1.16 0.00 0.00 32.46 30.73 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 0.59 0.00 0.00 0.55 5.41 -1.26 -4.77 119.36 119.88 1h67 n ILE 46 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1h67 n ILE 46 Cb 0.57 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.50 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 -0.15 0.00 7.39 0.00 -1.26 -4.89 105.19 106.28 1h67 n GLY 47 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 0.00 -4.61 1.61 9.92 -1.26 -4.87 116.55 117.34 1h67 n ASP 48 Ca 0.00 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 53.87 1h67 n ASP 48 Cb 0.00 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 40.52 1h67 n ASP 48 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1h67 n ASN 49 N 0.00 0.99 -0.18 -2.24 5.15 -1.26 -4.71 115.26 113.01 1h67 n ASN 49 Ca 0.00 0.90 -0.02 0.00 -0.60 0.00 0.00 54.58 54.86 1h67 n ASN 49 Cb 0.00 -1.38 0.08 0.00 -0.53 0.00 0.00 39.78 37.95 1h67 n ASN 49 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1h67 h PHE 50 N 0.95 0.41 0.06 1.20 3.57 -1.99 0.31 116.94 121.44 1h67 h PHE 50 Ca -0.47 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.05 1h67 h PHE 50 Cb 1.35 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.99 1h67 h PHE 50 CO 0.40 0.15 -0.03 0.52 -2.23 0.00 0.00 178.31 177.12 1h67 h MET 51 N 0.43 -0.07 -0.16 1.11 0.00 -1.99 -3.18 114.93 111.06 1h67 h MET 51 Ca 0.26 0.01 0.05 0.00 0.00 0.00 0.00 59.70 60.01 1h67 h MET 51 Cb 0.25 0.02 -0.01 0.00 0.00 0.00 0.00 31.60 31.86 1h67 h MET 51 CO -0.23 0.48 0.12 -0.44 0.00 0.00 0.00 176.91 176.84 1h67 h ASP 52 N -0.70 0.00 -0.30 1.22 5.19 -1.89 -2.44 116.42 117.50 1h67 h ASP 52 Ca -0.01 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.35 1h67 h ASP 52 Cb 0.59 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.09 1h67 h ASP 52 CO 0.01 0.00 -0.03 1.23 -3.12 0.00 0.00 179.24 177.33 1h67 h GLY 53 N 0.00 0.60 2.00 2.75 0.00 -0.40 -2.89 103.07 105.13 1h67 h GLY 53 Ca 0.08 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1h67 h GLY 53 CO -0.00 0.43 -0.00 1.41 0.00 0.00 0.00 176.54 178.37 1h67 h LEU 54 N 0.33 0.00 -1.20 3.11 3.38 -1.42 -2.78 115.31 116.74 1h67 h LEU 54 Ca 0.08 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.30 1h67 h LEU 54 Cb 0.49 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.14 1h67 h LEU 54 CO 0.02 0.00 0.64 0.11 0.09 0.00 0.00 178.44 179.30 1h67 h LYS 55 N 0.00 0.49 -0.93 1.13 1.57 -1.48 0.29 116.57 117.63 1h67 h LYS 55 Ca -0.00 -0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.89 1h67 h LYS 55 Cb 0.01 -0.11 -0.08 0.00 0.08 0.00 0.00 32.23 32.13 1h67 h LYS 55 CO 0.00 0.32 0.59 0.38 -0.57 0.00 0.00 179.45 180.18 1h67 h ASP 56 N 0.50 0.75 0.00 0.86 2.03 -1.68 -3.45 116.42 115.43 1h67 h ASP 56 Ca 0.61 0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.96 1h67 h ASP 56 Cb 1.33 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 1h67 h ASP 56 CO -0.37 0.38 0.00 0.61 -1.03 0.00 0.00 179.24 178.83 1h67 n GLY 57 N -1.40 1.28 0.39 7.15 0.00 0.09 -4.41 105.19 108.29 1h67 n GLY 57 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 1h67 n GLY 57 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1h67 h VAL 58 N 0.00 0.15 -0.07 1.61 2.07 -1.87 0.80 116.25 118.94 1h67 h VAL 58 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1h67 h VAL 58 Cb 0.00 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 29.89 1h67 h VAL 58 CO 0.00 0.00 -0.10 0.40 0.02 0.00 0.00 177.57 177.89 1h67 h ILE 59 N -0.46 0.74 -0.66 4.57 2.04 -1.94 0.54 117.51 122.35 1h67 h ILE 59 Ca 0.09 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.97 1h67 h ILE 59 Cb 0.61 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1h67 h ILE 59 CO -0.43 0.00 0.44 -0.07 0.00 0.00 0.00 178.15 178.09 1h67 h LEU 60 N -0.13 0.71 -0.95 1.44 3.38 -1.81 0.98 115.31 118.92 1h67 h LEU 60 Ca 0.06 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1h67 h LEU 60 Cb 0.22 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1h67 h LEU 60 CO -0.15 0.50 0.04 0.00 0.09 0.00 0.00 178.44 178.92 1h67 h GLU 62 N 0.76 0.58 -0.06 0.00 5.08 0.24 -2.68 114.58 118.51 1h67 h GLU 62 Ca 0.15 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1h67 h GLU 62 Cb 0.40 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1h67 h GLU 62 CO 0.01 0.69 -0.04 1.25 -1.00 0.00 0.00 179.01 179.93 1h67 h LEU 63 N 0.54 0.14 -1.21 1.33 5.85 -0.47 -3.21 115.31 118.27 1h67 h LEU 63 Ca 0.10 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1h67 h LEU 63 Cb 0.53 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 1h67 h LEU 63 CO 0.03 0.54 0.48 -0.29 -0.34 0.00 0.00 178.44 178.87 1h67 h ILE 64 N -0.27 1.20 -0.31 4.05 6.09 -1.30 -1.09 117.51 125.89 1h67 h ILE 64 Ca 0.01 -0.40 0.09 0.00 -1.37 0.00 0.00 64.86 63.19 1h67 h ILE 64 Cb 0.50 0.11 -0.01 0.00 0.47 0.00 0.00 36.82 37.88 1h67 h ILE 64 CO 0.01 0.20 0.23 0.78 -3.07 0.00 0.00 178.15 176.30 1h67 h ASN 65 N 1.04 0.00 0.15 2.19 2.35 -1.48 0.64 115.58 120.46 1h67 h ASN 65 Ca 0.28 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.02 1h67 h ASN 65 Cb -0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1h67 h ASN 65 CO -0.06 0.00 -0.07 0.11 -1.65 0.00 0.00 177.43 175.76 1h67 h LYS 66 N 0.00 -0.19 0.41 0.81 1.79 -1.22 -3.33 116.57 114.84 1h67 h LYS 66 Ca 0.15 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.61 1h67 h LYS 66 Cb 0.61 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1h67 h LYS 66 CO -0.00 0.24 -0.20 -0.07 -1.08 0.00 0.00 179.45 178.34 1h67 h LEU 67 N -0.71 -0.47 -8.63 2.94 3.38 -1.22 -3.41 115.31 107.20 1h67 h LEU 67 Ca -0.02 -0.11 -0.68 0.00 0.09 0.00 0.00 57.88 57.16 1h67 h LEU 67 Cb 0.51 0.12 -0.21 0.00 0.09 0.00 0.00 40.66 41.18 1h67 h LEU 67 CO 0.03 -0.06 -0.51 -1.58 0.09 0.00 0.00 178.44 176.42 1h67 s GLN 68 N -4.24 3.37 0.06 1.13 0.74 0.22 -5.05 119.66 115.88 1h67 s GLN 68 Ca -0.13 -0.72 -0.36 0.00 0.05 0.00 0.00 55.36 54.21 1h67 s GLN 68 Cb 0.01 -3.72 -0.15 0.00 1.10 0.00 0.00 33.01 30.25 1h67 s GLN 68 CO 0.45 -0.47 1.54 -2.30 -0.55 0.00 0.00 175.29 173.96 1h67 n PRO 69 N 5.06 1.66 -3.85 1.67 -0.02 -1.25 -2.67 135.00 135.59 1h67 n PRO 69 Ca -0.13 0.60 -0.26 0.00 -2.02 0.00 0.00 63.50 61.69 1h67 n PRO 69 Cb 0.49 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1h67 n PRO 69 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h67 n GLY 70 N 3.26 -0.42 0.17 -1.23 0.00 -1.26 -4.93 105.19 100.78 1h67 n GLY 70 Ca 0.19 0.22 -0.06 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.87 -0.35 -3.07 1.61 0.02 -1.78 -3.44 113.55 104.67 1h67 h SER 71 Ca -0.64 0.01 -0.60 0.00 -0.84 0.00 0.00 61.79 59.72 1h67 h SER 71 Cb 1.37 0.09 -0.06 0.00 0.14 0.00 0.00 62.40 63.94 1h67 h SER 71 CO 0.58 -0.14 -0.22 -0.69 -1.14 0.00 0.00 176.83 175.22 1h67 s VAL 72 N -3.18 5.10 0.00 2.27 1.01 -1.26 -4.93 120.40 119.40 1h67 s VAL 72 Ca -0.06 0.80 0.00 0.00 0.00 0.00 0.00 61.98 62.72 1h67 s VAL 72 Cb 0.01 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1h67 s VAL 72 CO 0.18 0.53 0.00 0.00 0.00 0.00 0.00 175.10 175.80 1h67 n GLN 73 N 2.27 2.07 -1.81 2.72 1.13 -1.26 -4.82 117.38 117.68 1h67 n GLN 73 Ca -0.13 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.51 1h67 n GLN 73 Cb 0.52 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.84 1h67 n GLN 73 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1h67 s LYS 74 N 0.00 4.16 -0.06 -1.09 -2.85 -1.26 -4.95 119.74 113.69 1h67 s LYS 74 Ca 0.00 2.48 -0.27 0.00 -1.00 0.00 0.00 55.97 57.17 1h67 s LYS 74 Cb 0.00 -3.70 -0.03 0.00 -2.06 0.00 0.00 37.83 32.05 1h67 s LYS 74 CO 0.00 -0.82 0.88 0.08 0.10 0.00 0.00 175.35 175.59 1h67 s VAL 75 N 3.02 4.91 -0.14 1.79 1.01 -1.26 -4.97 120.40 124.76 1h67 s VAL 75 Ca 0.79 1.81 -0.10 0.00 0.00 0.00 0.00 61.98 64.48 1h67 s VAL 75 Cb -0.42 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.70 1h67 s VAL 75 CO 0.35 0.15 0.20 0.20 0.00 0.00 0.00 175.10 176.00 1h67 s ASN 76 N 0.98 6.38 0.19 3.32 0.01 -1.26 -5.06 114.94 119.50 1h67 s ASN 76 Ca 0.45 0.45 -0.31 0.00 -0.71 0.00 0.00 52.86 52.74 1h67 s ASN 76 Cb -0.19 -2.12 -0.10 0.00 0.41 0.00 0.00 41.25 39.24 1h67 s ASN 76 CO 0.22 0.25 1.58 -1.81 -1.51 0.00 0.00 177.10 175.82 1h67 s ASP 77 N -0.20 6.55 0.00 -1.22 1.11 -1.26 -4.79 116.67 116.86 1h67 s ASP 77 Ca 0.14 2.68 -0.01 0.00 0.18 0.00 0.00 52.55 55.54 1h67 s ASP 77 Cb -0.12 -2.60 -0.05 0.00 1.07 0.00 0.00 42.92 41.22 1h67 s ASP 77 CO 0.03 -0.84 1.80 -0.81 1.18 0.00 0.00 175.17 176.53 1h67 n PRO 78 N 3.69 0.92 0.18 8.23 -0.04 -1.26 -4.38 135.00 142.33 1h67 n PRO 78 Ca 0.13 -0.17 -0.08 0.00 -0.04 0.00 0.00 63.50 63.34 1h67 n PRO 78 Cb 0.38 -1.30 -0.04 0.00 -0.04 0.00 0.00 33.50 32.51 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 1.48 0.00 0.00 0.52 2.07 -2.00 -3.45 116.25 114.87 1h67 h VAL 79 Ca 0.03 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1h67 h VAL 79 Cb 0.84 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1h67 h VAL 79 CO 0.07 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.66 1h67 n GLN 80 N -4.34 0.00 0.00 1.57 1.13 -1.26 -5.06 117.38 109.41 1h67 n GLN 80 Ca -0.06 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 1h67 n GLN 80 Cb 0.19 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.54 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 0.16 1.08 3.02 -1.26 -4.89 115.26 113.37 1h67 n ASN 81 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.60 1h67 n ASN 81 Cb 0.00 0.00 0.49 0.00 -0.61 0.00 0.00 39.78 39.66 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 0.17 -0.52 3.10 5.08 -1.97 -2.58 115.95 119.23 1h67 h TRP 82 Ca 0.00 -0.01 0.09 0.00 1.08 0.00 0.00 58.89 60.05 1h67 h TRP 82 Cb 0.00 -0.05 -0.07 0.00 -3.00 0.00 0.00 29.16 26.04 1h67 h TRP 82 CO 0.00 0.22 0.12 0.45 -1.28 0.00 0.00 178.44 177.95 1h67 h HIS 83 N 0.17 0.20 -0.89 0.12 3.86 -1.90 -1.15 115.15 115.56 1h67 h HIS 83 Ca 0.04 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.33 1h67 h HIS 83 Cb 0.19 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 28.59 1h67 h HIS 83 CO 0.00 0.02 0.57 0.87 0.86 0.00 0.00 177.93 180.24 1h67 h LYS 84 N 0.27 1.04 -0.89 2.45 1.57 -1.67 -2.02 116.57 117.32 1h67 h LYS 84 Ca 0.26 -0.06 0.15 0.00 -1.87 0.00 0.00 60.65 59.13 1h67 h LYS 84 Cb 0.34 -0.23 -0.07 0.00 0.08 0.00 0.00 32.23 32.35 1h67 h LYS 84 CO -0.32 0.69 0.57 -0.07 -0.57 0.00 0.00 179.45 179.75 1h67 h LEU 85 N 1.07 0.62 0.01 2.94 3.38 -1.21 0.15 115.31 122.26 1h67 h LEU 85 Ca 0.37 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.33 1h67 h LEU 85 Cb 0.09 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1h67 h LEU 85 CO -0.14 0.30 -0.20 -0.08 0.09 0.00 0.00 178.44 178.41 1h67 h GLU 86 N 0.65 0.12 -0.67 1.13 4.81 -1.21 -2.72 114.58 116.69 1h67 h GLU 86 Ca 0.45 -0.14 0.03 0.00 -0.13 0.00 0.00 59.36 59.57 1h67 h GLU 86 Cb 0.78 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.16 1h67 h GLU 86 CO -0.21 0.92 0.41 -0.91 -0.73 0.00 0.00 179.01 178.50 1h67 h ASN 87 N -0.62 0.66 -0.72 1.04 2.35 -1.00 -2.05 115.58 115.24 1h67 h ASN 87 Ca -0.03 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1h67 h ASN 87 Cb 1.00 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.20 1h67 h ASN 87 CO 0.04 0.45 0.29 0.40 -1.65 0.00 0.00 177.43 176.96 1h67 h ILE 88 N 0.79 1.25 -0.45 2.81 2.04 -0.82 -1.19 117.51 121.94 1h67 h ILE 88 Ca 0.27 -0.78 0.01 0.00 1.00 0.00 0.00 64.86 65.37 1h67 h ILE 88 Cb 0.04 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 1h67 h ILE 88 CO -0.12 0.31 0.28 1.23 0.00 0.00 0.00 178.15 179.85 1h67 h GLY 89 N 1.03 0.63 1.01 5.37 0.00 -1.07 -0.94 103.07 109.09 1h67 h GLY 89 Ca 0.24 -0.21 -0.11 0.00 0.00 0.00 0.00 47.33 47.25 1h67 h GLY 89 CO -0.02 0.19 -0.16 3.43 0.00 0.00 0.00 176.54 179.98 1h67 h ASN 90 N 0.56 0.84 0.11 0.19 2.35 -1.22 -0.49 115.58 117.91 1h67 h ASN 90 Ca 0.17 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1h67 h ASN 90 Cb -0.02 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 1h67 h ASN 90 CO -0.06 1.04 -0.10 0.15 -1.65 0.00 0.00 177.43 176.81 1h67 h PHE 91 N 0.63 -0.25 -0.32 1.19 3.57 -0.97 0.13 116.94 120.92 1h67 h PHE 91 Ca 0.09 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 1h67 h PHE 91 Cb 0.71 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 1h67 h PHE 91 CO 0.05 -0.15 -0.02 -0.07 -2.23 0.00 0.00 178.31 175.90 1h67 h LEU 92 N -0.22 0.57 -1.08 0.59 3.38 -1.19 -1.38 115.31 115.98 1h67 h LEU 92 Ca 0.00 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 57.71 1h67 h LEU 92 Cb 0.21 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 1h67 h LEU 92 CO -0.02 0.76 0.62 -0.09 0.09 0.00 0.00 178.44 179.79 1h67 h ARG 93 N 0.37 1.09 -0.23 1.13 2.43 -0.94 0.18 114.38 118.41 1h67 h ARG 93 Ca 0.09 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 1h67 h ARG 93 Cb 0.47 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1h67 h ARG 93 CO 0.02 0.72 -0.16 0.00 -1.51 0.00 0.00 179.97 179.04 1h67 h ALA 94 N 1.48 0.33 -0.33 2.80 0.00 -0.53 -2.90 119.26 120.12 1h67 h ALA 94 Ca 0.40 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1h67 h ALA 94 Cb 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1h67 h ALA 94 CO -0.15 0.23 -0.41 -0.84 0.00 0.00 0.00 179.25 178.08 1h67 h ILE 95 N 0.23 1.28 -0.48 0.00 3.07 -0.76 0.41 117.51 121.26 1h67 h ILE 95 Ca 0.05 -1.59 0.04 0.00 1.55 0.00 0.00 64.86 64.90 1h67 h ILE 95 Cb 0.69 1.47 -0.04 0.00 -0.27 0.00 0.00 36.82 38.66 1h67 h ILE 95 CO 0.04 0.52 0.24 0.11 -1.05 0.00 0.00 178.15 178.01 1h67 h LYS 96 N 0.66 0.45 0.04 0.16 1.57 -0.69 -2.36 116.57 116.40 1h67 h LYS 96 Ca 0.05 -0.03 -0.24 0.00 -1.87 0.00 0.00 60.65 58.56 1h67 h LYS 96 Cb 0.98 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 1h67 h LYS 96 CO 0.09 0.30 -1.16 0.45 -0.57 0.00 0.00 179.45 178.56 1h67 h HIS 97 N 0.47 0.15 -0.90 -1.35 3.86 -1.48 -3.31 115.15 112.58 1h67 h HIS 97 Ca 0.21 -0.11 0.15 0.00 -1.16 0.00 0.00 60.37 59.46 1h67 h HIS 97 Cb 0.12 -0.01 -0.09 0.00 1.06 0.00 0.00 27.41 28.49 1h67 h HIS 97 CO -0.10 1.10 0.51 -0.92 0.86 0.00 0.00 177.93 179.37 1h67 h TYR 98 N 0.02 0.90 0.00 2.45 3.20 0.29 -3.45 116.97 120.38 1h67 h TYR 98 Ca -0.08 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.82 1h67 h TYR 98 Cb 1.86 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.86 1h67 h TYR 98 CO 0.02 0.25 0.00 0.41 -1.64 0.00 0.00 178.16 177.20 1h67 n GLY 99 N -1.33 0.98 3.70 1.82 0.00 -0.93 -5.06 105.19 104.37 1h67 n GLY 99 Ca 0.18 -0.07 -0.43 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 0.09 -2.16 1.61 0.31 -1.00 -4.93 118.33 112.25 1h67 n VAL 100 Ca 0.00 -0.02 -0.40 0.00 -0.01 0.00 0.00 64.34 63.91 1h67 n VAL 100 Cb 0.00 -1.89 -0.02 0.00 -0.91 0.00 0.00 33.84 31.02 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 1.51 4.36 0.31 5.55 -0.14 -1.26 -4.06 119.74 126.00 1h67 s LYS 101 Ca 0.78 2.16 0.04 0.00 -1.36 0.00 0.00 55.97 57.59 1h67 s LYS 101 Cb -0.55 -3.06 0.65 0.00 -1.68 0.00 0.00 37.83 33.19 1h67 s LYS 101 CO 0.35 -0.16 1.84 -1.35 -0.76 0.00 0.00 175.35 175.27 1h67 h PRO 102 N 3.37 0.86 -0.22 -1.68 0.11 -1.91 0.57 132.00 133.10 1h67 h PRO 102 Ca -0.49 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 65.63 1h67 h PRO 102 Cb 1.23 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1h67 h PRO 102 CO 0.65 0.57 0.22 0.45 -0.21 0.00 0.00 178.00 179.68 1h67 h HIS 103 N 0.88 0.00 -0.78 0.65 3.86 -2.01 0.13 115.15 117.89 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 0.60 0.00 -0.30 0.00 1.06 0.00 0.00 27.41 28.77 1h67 h HIS 103 CO -0.00 0.00 0.11 -0.25 0.86 0.00 0.00 177.93 178.65 1h67 n ASP 104 N -3.89 5.33 -3.72 2.45 8.00 0.18 -4.93 116.55 119.98 1h67 n ASP 104 Ca 0.02 -3.76 -0.13 0.00 0.71 0.00 0.00 54.79 51.63 1h67 n ASP 104 Cb 0.35 -0.69 -0.13 0.00 -0.02 0.00 0.00 41.12 40.63 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 -4.28 -0.09 0.32 0.53 1.01 0.45 -4.53 121.20 114.61 1h67 s ILE 105 Ca 0.55 0.17 -0.27 0.00 0.00 0.00 0.00 60.65 61.10 1h67 s ILE 105 Cb 0.45 -0.38 -0.09 0.00 0.01 0.00 0.00 42.46 42.45 1h67 s ILE 105 CO 0.02 0.07 1.04 0.72 0.00 0.00 0.00 174.94 176.79 1h67 s PHE 106 N 1.43 3.53 0.56 3.97 -0.12 -1.26 -4.91 117.98 121.18 1h67 s PHE 106 Ca -0.08 1.72 -0.13 0.00 -0.05 0.00 0.00 56.93 58.39 1h67 s PHE 106 Cb -0.11 -3.14 -0.06 0.00 -0.63 0.00 0.00 43.02 39.08 1h67 s PHE 106 CO -0.08 -0.35 0.99 -1.21 -0.05 0.00 0.00 175.22 174.51 1h67 s GLU 107 N -1.87 3.77 0.37 1.99 8.01 -1.26 -4.89 118.70 124.82 1h67 s GLU 107 Ca 0.50 0.82 0.15 0.00 0.01 0.00 0.00 54.97 56.44 1h67 s GLU 107 Cb -0.26 -2.13 1.00 0.00 -4.31 0.00 0.00 34.13 28.43 1h67 s GLU 107 CO 0.33 -0.39 1.76 0.00 0.01 0.00 0.00 175.26 176.97 1h67 h ALA 108 N 0.36 2.05 -0.13 5.21 0.00 -1.96 0.34 119.26 125.13 1h67 h ALA 108 Ca -0.46 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 1h67 h ALA 108 Cb 1.19 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1h67 h ALA 108 CO 0.62 -0.47 -0.51 -2.95 0.00 0.00 0.00 179.25 175.94 1h67 h ASN 109 N 0.49 0.39 0.19 0.00 7.08 -1.98 -1.74 115.58 120.01 1h67 h ASN 109 Ca 0.61 -0.19 -0.01 0.00 -3.08 0.00 0.00 56.30 53.62 1h67 h ASN 109 Cb 1.36 -0.11 0.00 0.00 -2.08 0.00 0.00 38.32 37.49 1h67 h ASN 109 CO -0.36 0.83 -0.09 0.44 -2.08 0.00 0.00 177.43 176.17 1h67 h ASP 110 N 0.28 -0.22 -0.21 6.14 3.32 -0.67 0.16 116.42 125.22 1h67 h ASP 110 Ca 0.01 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 1h67 h ASP 110 Cb 1.00 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.60 1h67 h ASP 110 CO 0.09 -0.12 -0.34 0.25 -1.72 0.00 0.00 179.24 177.39 1h67 h LEU 111 N -0.29 0.66 -0.24 1.55 5.85 -1.51 -0.92 115.31 120.41 1h67 h LEU 111 Ca -0.03 -0.53 -0.02 0.00 0.84 0.00 0.00 57.88 58.15 1h67 h LEU 111 Cb 0.23 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1h67 h LEU 111 CO 0.04 1.06 0.07 0.15 -0.34 0.00 0.00 178.44 179.42 1h67 h PHE 112 N 0.28 0.39 0.00 1.25 3.57 -1.30 -2.75 116.94 118.37 1h67 h PHE 112 Ca 0.02 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1h67 h PHE 112 Cb 0.93 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1h67 h PHE 112 CO 0.09 0.45 0.00 0.39 -2.23 0.00 0.00 178.31 177.00 1h67 n GLU 113 N -4.75 0.04 -3.27 1.11 1.02 0.56 -4.91 120.64 110.44 1h67 n GLU 113 Ca -0.03 0.02 -0.21 0.00 -0.02 0.00 0.00 57.16 56.92 1h67 n GLU 113 Cb 0.16 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.14 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 -1.48 -5.87 -0.10 1.62 5.03 -0.64 -4.93 115.26 108.89 1h67 n ASN 114 Ca 0.07 -0.39 -0.17 0.00 0.87 0.00 0.00 54.58 54.96 1h67 n ASN 114 Cb 0.31 -4.57 -0.08 0.00 -1.02 0.00 0.00 39.78 34.43 1h67 n ASN 114 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1h67 n THR 115 N -4.62 1.50 -1.90 3.41 -2.24 -0.45 -4.55 114.28 105.42 1h67 n THR 115 Ca -0.04 0.01 -0.40 0.00 -2.27 0.00 0.00 64.05 61.35 1h67 n THR 115 Cb 0.58 -2.15 -0.01 0.00 -2.10 0.00 0.00 70.33 66.65 1h67 n THR 115 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1h67 n ASN 116 N -4.46 7.68 -0.15 3.42 4.13 -1.21 -4.73 115.26 119.93 1h67 n ASN 116 Ca -0.27 -3.02 -0.04 0.00 1.68 0.00 0.00 54.58 52.93 1h67 n ASN 116 Cb 0.57 -1.42 0.05 0.00 -1.54 0.00 0.00 39.78 37.45 1h67 n ASN 116 CO 0.00 0.00 0.00 0.45 0.28 0.00 0.00 177.26 177.99 1h67 h HIS 117 N 4.86 0.34 -0.34 3.10 3.86 -1.86 -0.91 115.15 124.20 1h67 h HIS 117 Ca 0.69 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.92 1h67 h HIS 117 Cb 0.35 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 1h67 h HIS 117 CO 1.61 0.13 0.19 1.15 0.86 0.00 0.00 177.93 181.87 1h67 h THR 118 N 0.38 1.13 -0.88 2.45 2.02 -1.99 -2.81 112.91 113.21 1h67 h THR 118 Ca 0.23 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1h67 h THR 118 Cb 0.21 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 1h67 h THR 118 CO -0.21 0.13 0.56 -0.61 0.37 0.00 0.00 175.52 175.76 1h67 h GLN 119 N 0.44 1.18 -0.61 6.66 5.75 -1.84 -2.18 115.11 124.50 1h67 h GLN 119 Ca 0.12 -0.09 0.05 0.00 -0.15 0.00 0.00 58.65 58.59 1h67 h GLN 119 Cb 0.04 -0.26 -0.05 0.00 1.07 0.00 0.00 27.48 28.29 1h67 h GLN 119 CO -0.02 0.80 0.33 0.28 -2.65 0.00 0.00 178.83 177.57 1h67 h VAL 120 N 1.20 0.96 -0.20 2.39 2.07 -0.94 0.15 116.25 121.89 1h67 h VAL 120 Ca 0.32 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 1h67 h VAL 120 Cb -0.10 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1h67 h VAL 120 CO -0.06 0.11 0.01 -0.61 0.02 0.00 0.00 177.57 177.04 1h67 h GLN 121 N 0.62 0.35 -0.71 1.57 4.15 -1.26 -3.06 115.11 116.77 1h67 h GLN 121 Ca 0.27 -0.11 -0.06 0.00 0.77 0.00 0.00 58.65 59.53 1h67 h GLN 121 Cb 0.16 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 1h67 h GLN 121 CO -0.17 0.54 0.22 0.77 -1.93 0.00 0.00 178.83 178.25 1h67 h SER 122 N 0.12 1.03 -0.89 -0.69 0.02 -1.09 -2.92 113.55 109.12 1h67 h SER 122 Ca 0.06 -0.21 0.11 0.00 -0.84 0.00 0.00 61.79 60.91 1h67 h SER 122 Cb 0.37 -0.27 -0.08 0.00 0.14 0.00 0.00 62.40 62.56 1h67 h SER 122 CO 0.01 0.96 0.53 0.74 -1.14 0.00 0.00 176.83 177.93 1h67 h THR 123 N 1.04 0.89 -0.96 -2.27 2.02 -0.68 -1.03 112.91 111.93 1h67 h THR 123 Ca 0.23 -0.29 0.10 0.00 0.77 0.00 0.00 66.41 67.22 1h67 h THR 123 Cb 0.30 -0.03 -0.08 0.00 -1.74 0.00 0.00 68.15 66.60 1h67 h THR 123 CO -0.01 0.15 0.59 -0.07 0.37 0.00 0.00 175.52 176.56 1h67 h LEU 124 N 0.85 0.89 -0.51 2.58 3.38 -1.41 -1.48 115.31 119.60 1h67 h LEU 124 Ca 0.44 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.46 1h67 h LEU 124 Cb 0.44 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1h67 h LEU 124 CO -0.27 0.50 0.34 0.40 0.09 0.00 0.00 178.44 179.50 1h67 h ILE 125 N 0.98 1.13 -0.39 1.22 2.04 -1.24 -1.52 117.51 119.73 1h67 h ILE 125 Ca 0.46 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 66.05 1h67 h ILE 125 Cb 0.39 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1h67 h ILE 125 CO -0.24 0.13 0.18 0.00 0.00 0.00 0.00 178.15 178.22 1h67 h ALA 126 N 1.18 0.50 -0.78 1.87 0.00 -1.13 -1.84 119.26 119.07 1h67 h ALA 126 Ca 0.19 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1h67 h ALA 126 Cb -0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1h67 h ALA 126 CO -0.04 0.07 0.51 1.25 0.00 0.00 0.00 179.25 181.04 1h67 h LEU 127 N 0.49 0.86 -0.65 0.00 5.85 -1.06 -2.36 115.31 118.44 1h67 h LEU 127 Ca 0.13 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 1h67 h LEU 127 Cb 0.13 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1h67 h LEU 127 CO -0.02 0.61 0.27 0.00 -0.34 0.00 0.00 178.44 178.97 1h67 h ALA 128 N 1.31 0.85 -0.97 1.25 0.00 -1.05 -2.61 119.26 118.03 1h67 h ALA 128 Ca 0.30 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1h67 h ALA 128 Cb -0.06 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.41 1h67 h ALA 128 CO -0.09 0.45 0.63 0.77 0.00 0.00 0.00 179.25 181.01 1h67 h SER 129 N 0.92 0.97 0.09 0.00 0.02 -0.83 -2.54 113.55 112.18 1h67 h SER 129 Ca 0.22 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1h67 h SER 129 Cb 0.18 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1h67 h SER 129 CO -0.02 0.60 -0.04 1.56 -1.14 0.00 0.00 176.83 177.78 1h67 h GLN 130 N 1.08 -0.12 -1.00 3.45 1.08 -1.10 -2.86 115.11 115.65 1h67 h GLN 130 Ca 0.43 0.01 0.25 0.00 -1.45 0.00 0.00 58.65 57.89 1h67 h GLN 130 Cb 0.25 0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 27.63 1h67 h GLN 130 CO -0.18 0.07 0.67 0.00 -0.95 0.00 0.00 178.83 178.44 1h67 h ALA 131 N 0.60 2.37 0.54 3.87 0.00 -1.21 0.42 119.26 125.85 1h67 h ALA 131 Ca -0.01 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1h67 h ALA 131 Cb 0.24 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1h67 h ALA 131 CO 0.02 -0.72 -0.26 0.87 0.00 0.00 0.00 179.25 179.16 1h67 h LYS 132 N 0.33 -0.70 0.02 0.00 1.79 -1.30 -3.34 116.57 113.36 1h67 h LYS 132 Ca 0.54 0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 59.06 1h67 h LYS 132 Cb 1.50 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 32.31 1h67 h LYS 132 CO -0.21 -0.41 -0.01 0.00 -1.08 0.00 0.00 179.45 177.74 1h67 h THR 133 N -1.11 1.27 0.00 -0.16 1.03 -1.26 -3.52 112.91 109.15 1h67 h THR 133 Ca -0.07 -0.88 0.00 0.00 -0.01 0.00 0.00 66.41 65.44 1h67 h THR 133 Cb 0.61 1.86 0.00 0.00 -1.07 0.00 0.00 68.15 69.55 1h67 h THR 133 CO 0.12 0.23 0.00 0.29 -0.01 0.00 0.00 175.52 176.15