#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 2.68 -1.84 0.03 -0.02 -1.26 -4.93 135.00 129.65 1h67 n PRO 28 Ca 0.00 0.95 -0.41 0.00 -2.02 0.00 0.00 63.50 62.02 1h67 n PRO 28 Cb 0.00 -2.74 -0.01 0.00 -0.02 0.00 0.00 33.50 30.73 1h67 n PRO 28 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1h67 s GLN 29 N -0.16 4.14 0.08 -0.52 -0.21 -1.26 -4.93 119.66 116.79 1h67 s GLN 29 Ca 0.67 2.52 -0.25 0.00 0.02 0.00 0.00 55.36 58.32 1h67 s GLN 29 Cb -0.51 -2.99 -0.16 0.00 1.00 0.00 0.00 33.01 30.36 1h67 s GLN 29 CO 0.45 -0.49 1.67 1.15 -2.12 0.00 0.00 175.29 175.95 1h67 h THR 30 N 3.02 0.94 0.12 -0.19 2.02 -1.99 -3.28 112.91 113.54 1h67 h THR 30 Ca -0.50 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 1h67 h THR 30 Cb 1.24 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 1h67 h THR 30 CO 0.65 0.03 -0.06 1.05 0.37 0.00 0.00 175.52 177.57 1h67 h GLU 31 N -0.18 -0.15 -7.64 6.66 4.11 -2.00 -3.42 114.58 111.95 1h67 h GLU 31 Ca -0.01 0.01 -0.43 0.00 0.07 0.00 0.00 59.36 59.00 1h67 h GLU 31 Cb 0.15 0.03 0.18 0.00 0.50 0.00 0.00 28.75 29.61 1h67 h GLU 31 CO 0.02 0.33 0.29 0.50 0.07 0.00 0.00 179.01 180.22 1h67 s ARG 32 N -3.64 -0.24 0.00 1.06 3.52 -1.24 -3.89 118.95 114.52 1h67 s ARG 32 Ca -0.14 -0.28 0.00 0.00 -0.13 0.00 0.00 55.73 55.18 1h67 s ARG 32 Cb 0.01 -1.73 0.00 0.00 -1.56 0.00 0.00 34.95 31.67 1h67 s ARG 32 CO 0.55 -3.03 0.00 1.04 -0.81 0.00 0.00 175.30 173.05 1h67 n GLN 33 N -4.23 0.00 -0.05 5.12 3.00 -1.26 -4.48 117.38 115.48 1h67 n GLN 33 Ca 0.15 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 57.00 1h67 n GLN 33 Cb 0.59 -0.05 -0.07 0.00 0.00 0.00 0.00 30.24 30.71 1h67 n GLN 33 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1h67 h LEU 34 N 0.00 0.37 -2.41 1.08 3.38 -1.81 0.11 115.31 116.02 1h67 h LEU 34 Ca 0.00 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1h67 h LEU 34 Cb 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1h67 h LEU 34 CO 0.00 0.80 0.00 -2.11 0.09 0.00 0.00 178.44 177.22 1h67 n ARG 35 N -4.55 0.86 0.00 1.13 1.85 -1.25 -3.14 116.66 111.57 1h67 n ARG 35 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.79 1h67 n ARG 35 Cb 0.37 -1.07 0.00 0.00 -1.05 0.00 0.00 32.46 30.72 1h67 n ARG 35 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1h67 n VAL 36 N 0.93 0.00 0.00 8.89 0.31 -1.18 -4.90 118.33 122.39 1h67 n VAL 36 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1h67 n VAL 36 Cb 0.43 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.36 1h67 n VAL 36 CO 0.00 0.00 0.00 1.87 -1.32 0.00 0.00 176.83 177.38 1h67 n TRP 37 N -1.47 0.00 -0.20 3.52 -0.00 0.36 -0.93 117.44 118.71 1h67 n TRP 37 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.48 1h67 n TRP 37 Cb 0.00 -0.43 0.09 0.00 -0.00 0.00 0.00 31.31 30.97 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 0.91 -0.92 5.87 5.03 -1.80 -1.70 117.51 124.91 1h67 h ILE 38 Ca 0.00 -0.19 0.00 0.00 -0.12 0.00 0.00 64.86 64.55 1h67 h ILE 38 Cb 0.00 0.31 -0.04 0.00 -3.03 0.00 0.00 36.82 34.06 1h67 h ILE 38 CO 0.00 0.10 0.58 -0.33 -0.68 0.00 0.00 178.15 177.83 1h67 h GLU 39 N 0.55 1.22 -0.79 2.37 3.07 -1.77 -2.59 114.58 116.65 1h67 h GLU 39 Ca 0.28 -0.09 -0.04 0.00 -0.50 0.00 0.00 59.36 59.00 1h67 h GLU 39 Cb 0.22 -0.27 -0.03 0.00 -0.84 0.00 0.00 28.75 27.83 1h67 h GLU 39 CO -0.20 0.83 0.32 0.78 -1.40 0.00 0.00 179.01 179.33 1h67 h GLY 40 N 1.25 1.26 0.62 -3.84 0.00 -0.18 0.56 103.07 102.74 1h67 h GLY 40 Ca 0.33 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 1h67 h GLY 40 CO -0.07 0.64 -0.46 0.00 0.00 0.00 0.00 176.54 176.65 1h67 h ALA 41 N 1.20 -1.20 0.02 3.60 0.00 -0.95 -3.34 119.26 118.59 1h67 h ALA 41 Ca 0.26 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1h67 h ALA 41 Cb 0.21 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1h67 h ALA 41 CO -0.02 -1.18 -0.01 1.79 0.00 0.00 0.00 179.25 179.83 1h67 h THR 42 N -1.03 0.96 0.00 0.00 1.35 -1.56 -3.49 112.91 109.13 1h67 h THR 42 Ca -0.08 -1.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.13 1h67 h THR 42 Cb 0.85 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 1h67 h THR 42 CO 0.03 0.32 0.00 0.61 -0.25 0.00 0.00 175.52 176.23 1h67 n GLY 43 N 1.55 1.00 2.97 5.82 0.00 0.19 -5.11 105.19 111.61 1h67 n GLY 43 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 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 0.64 0.00 1.61 1.81 -1.14 -5.01 118.95 116.86 1h67 s ARG 44 Ca 0.00 -0.23 0.00 0.00 -1.72 0.00 0.00 55.73 53.78 1h67 s ARG 44 Cb 0.00 -0.63 0.00 0.00 -0.45 0.00 0.00 34.95 33.87 1h67 s ARG 44 CO 0.00 0.11 0.91 0.54 -0.68 0.00 0.00 175.30 176.18 1h67 n ARG 45 N 3.15 1.00 0.00 3.54 5.12 -1.26 -4.51 116.66 123.70 1h67 n ARG 45 Ca -0.16 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 1h67 n ARG 45 Cb 0.56 -1.09 0.00 0.00 -1.16 0.00 0.00 32.46 30.77 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 0.42 0.00 0.00 0.55 5.41 -1.26 -4.75 119.36 119.72 1h67 n ILE 46 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1h67 n ILE 46 Cb 0.46 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.39 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 -0.56 3.76 7.39 0.00 -1.26 -5.01 105.19 109.51 1h67 n GLY 47 Ca 0.00 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 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 7.00 1.93 1.61 1.01 -1.26 -4.74 116.67 118.22 1h67 s ASP 48 Ca 0.00 2.45 0.00 0.00 0.71 0.00 0.00 52.55 55.71 1h67 s ASP 48 Cb 0.00 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.30 1h67 s ASP 48 CO 0.00 -0.38 0.00 0.59 0.21 0.00 0.00 175.17 175.59 1h67 n ASN 49 N 1.37 0.00 0.00 0.27 4.13 -1.26 -3.51 115.26 116.26 1h67 n ASN 49 Ca 0.01 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.27 1h67 n ASN 49 Cb 0.43 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.67 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 -2.32 -0.03 3.10 7.35 -1.26 -4.87 117.46 133.42 1h67 n PHE 50 Ca 0.00 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.56 1h67 n PHE 50 Cb 0.00 0.50 -0.10 0.00 0.35 0.00 0.00 39.48 40.23 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 0.07 -0.40 -4.13 0.00 -2.00 -2.94 114.93 105.53 1h67 h MET 51 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 59.70 59.66 1h67 h MET 51 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 31.60 31.59 1h67 h MET 51 CO 0.00 0.62 0.26 0.22 0.00 0.00 0.00 176.91 178.02 1h67 h ASP 52 N -0.47 0.46 -0.58 1.22 1.82 -1.93 -2.36 116.42 114.58 1h67 h ASP 52 Ca 0.00 -0.01 -0.05 0.00 -0.39 0.00 0.00 57.03 56.58 1h67 h ASP 52 Cb 0.62 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.49 1h67 h ASP 52 CO 0.01 0.34 0.18 1.23 -1.61 0.00 0.00 179.24 179.39 1h67 h GLY 53 N 0.55 0.96 2.00 -0.78 0.00 -1.59 -2.63 103.07 101.58 1h67 h GLY 53 Ca 0.15 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 1h67 h GLY 53 CO -0.03 0.53 -0.02 1.41 0.00 0.00 0.00 176.54 178.43 1h67 h LEU 54 N 0.81 0.00 -0.77 3.11 3.38 -1.24 -2.95 115.31 117.65 1h67 h LEU 54 Ca 0.19 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.33 1h67 h LEU 54 Cb 0.28 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.92 1h67 h LEU 54 CO -0.01 0.02 0.22 0.11 0.09 0.00 0.00 178.44 178.87 1h67 h LYS 55 N 0.00 0.29 -0.62 1.13 1.57 -1.40 0.50 116.57 118.05 1h67 h LYS 55 Ca -0.00 -0.02 0.14 0.00 -1.87 0.00 0.00 60.65 58.90 1h67 h LYS 55 Cb 0.03 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1h67 h LYS 55 CO 0.00 0.19 0.42 0.38 -0.57 0.00 0.00 179.45 179.87 1h67 h ASP 56 N 0.30 0.22 -4.91 0.86 3.04 -1.68 -3.44 116.42 110.80 1h67 h ASP 56 Ca 0.45 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 54.25 1h67 h ASP 56 Cb 0.78 -0.04 0.00 0.00 -1.04 0.00 0.00 39.33 39.04 1h67 h ASP 56 CO -0.52 0.12 -0.81 0.61 -2.04 0.00 0.00 179.24 176.60 1h67 n GLY 57 N -1.57 -3.70 2.12 7.15 0.00 0.17 -4.19 105.19 105.16 1h67 n GLY 57 Ca 0.11 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 0.48 0.00 -0.10 1.61 0.31 -1.26 -4.69 118.33 114.68 1h67 n VAL 58 Ca 0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.24 1h67 n VAL 58 Cb 0.07 -0.17 -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 1.26 -0.44 2.52 1.08 -1.95 0.11 117.51 120.10 1h67 h ILE 59 Ca 0.00 -0.96 -0.01 0.00 -0.39 0.00 0.00 64.86 63.50 1h67 h ILE 59 Cb 0.00 1.32 -0.02 0.00 -3.07 0.00 0.00 36.82 35.05 1h67 h ILE 59 CO 0.00 0.31 0.24 -0.07 -0.69 0.00 0.00 178.15 177.94 1h67 h LEU 60 N 0.30 0.54 -0.69 1.44 3.38 -1.93 0.30 115.31 118.65 1h67 h LEU 60 Ca 0.08 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1h67 h LEU 60 Cb 0.45 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1h67 h LEU 60 CO 0.02 0.47 0.44 0.00 0.09 0.00 0.00 178.44 179.45 1h67 h GLU 62 N 0.87 0.53 0.54 0.00 4.39 -0.42 -2.63 114.58 117.87 1h67 h GLU 62 Ca 0.27 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 1h67 h GLU 62 Cb -0.03 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1h67 h GLU 62 CO -0.09 0.65 -0.26 1.25 -1.16 0.00 0.00 179.01 179.40 1h67 h LEU 63 N 0.49 -0.62 -1.10 1.33 5.85 0.64 -2.50 115.31 119.41 1h67 h LEU 63 Ca 0.09 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1h67 h LEU 63 Cb 0.50 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1h67 h LEU 63 CO 0.03 -0.42 0.50 -0.29 -0.34 0.00 0.00 178.44 177.92 1h67 h ILE 64 N -0.76 1.23 -0.09 4.05 6.09 -1.40 -0.59 117.51 126.04 1h67 h ILE 64 Ca -0.07 -0.49 0.02 0.00 -1.37 0.00 0.00 64.86 62.95 1h67 h ILE 64 Cb 0.57 0.05 -0.00 0.00 0.47 0.00 0.00 36.82 37.91 1h67 h ILE 64 CO 0.12 0.24 0.10 0.78 -3.07 0.00 0.00 178.15 176.32 1h67 h ASN 65 N 1.14 0.00 0.03 2.19 2.35 -1.30 0.71 115.58 120.70 1h67 h ASN 65 Ca 0.30 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1h67 h ASN 65 Cb -0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1h67 h ASN 65 CO -0.06 0.00 -0.01 0.11 -1.65 0.00 0.00 177.43 175.82 1h67 h LYS 66 N 0.00 -0.04 0.40 0.81 1.79 -0.66 -3.38 116.57 115.50 1h67 h LYS 66 Ca 0.04 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.49 1h67 h LYS 66 Cb 0.24 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1h67 h LYS 66 CO -0.00 0.65 -0.19 -0.07 -1.08 0.00 0.00 179.45 178.76 1h67 h LEU 67 N -0.80 -0.46 -8.76 2.94 3.38 -1.10 -3.42 115.31 107.09 1h67 h LEU 67 Ca -0.00 0.02 -0.62 0.00 0.09 0.00 0.00 57.88 57.36 1h67 h LEU 67 Cb 0.71 0.12 -0.12 0.00 0.09 0.00 0.00 40.66 41.45 1h67 h LEU 67 CO 0.01 -0.06 0.27 -1.58 0.09 0.00 0.00 178.44 177.17 1h67 s GLN 68 N -3.32 3.66 0.02 1.13 0.74 0.24 -5.01 119.66 117.13 1h67 s GLN 68 Ca -0.08 0.13 -0.36 0.00 0.05 0.00 0.00 55.36 55.10 1h67 s GLN 68 Cb 0.01 -3.83 -0.15 0.00 1.10 0.00 0.00 33.01 30.13 1h67 s GLN 68 CO 0.24 -0.85 1.53 -2.30 -0.55 0.00 0.00 175.29 173.36 1h67 n PRO 69 N 6.31 1.51 -3.61 1.67 -0.02 -1.26 -2.62 135.00 136.98 1h67 n PRO 69 Ca 0.01 0.55 -0.24 0.00 -2.02 0.00 0.00 63.50 61.80 1h67 n PRO 69 Cb 0.48 -2.25 0.04 0.00 -0.02 0.00 0.00 33.50 31.75 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 3.23 -0.74 0.00 -1.23 0.00 -1.26 -4.98 105.19 100.22 1h67 n GLY 70 Ca 0.20 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1h67 n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1h67 n SER 71 N -2.94 0.00 -0.06 1.61 7.64 -1.08 -4.75 113.62 114.04 1h67 n SER 71 Ca -0.17 0.12 -0.22 0.00 1.01 0.00 0.00 58.87 59.61 1h67 n SER 71 Cb 0.63 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.71 1h67 n SER 71 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1h67 h VAL 72 N 0.00 0.85 -3.62 0.44 -1.51 -1.84 -3.49 116.25 107.08 1h67 h VAL 72 Ca 0.00 -2.25 0.00 0.00 -1.23 0.00 0.00 66.70 63.22 1h67 h VAL 72 Cb 0.00 2.38 0.00 0.00 -2.13 0.00 0.00 31.29 31.54 1h67 h VAL 72 CO 0.00 0.54 -0.92 0.00 -1.23 0.00 0.00 177.57 175.96 1h67 n GLN 73 N -4.09 -4.18 0.00 5.19 1.13 -1.26 -4.65 117.38 109.52 1h67 n GLN 73 Ca -0.31 3.19 0.00 0.00 -1.94 0.00 0.00 57.00 57.94 1h67 n GLN 73 Cb 0.82 -3.82 0.00 0.00 0.11 0.00 0.00 30.24 27.34 1h67 n GLN 73 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1h67 n LYS 74 N -1.91 0.00 -1.62 -1.09 5.02 -1.26 -4.85 118.16 112.45 1h67 n LYS 74 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1h67 n LYS 74 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.29 1h67 n LYS 74 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1h67 n VAL 75 N 0.00 -9.10 -3.19 -0.18 0.31 -1.26 -4.95 118.33 99.96 1h67 n VAL 75 Ca 0.00 2.46 -0.39 0.00 -0.01 0.00 0.00 64.34 66.40 1h67 n VAL 75 Cb 0.00 -4.19 -0.06 0.00 -0.91 0.00 0.00 33.84 28.68 1h67 n VAL 75 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1h67 s ASN 76 N -0.79 7.04 0.26 4.52 0.01 -1.26 -5.04 114.94 119.67 1h67 s ASN 76 Ca 0.00 1.24 -0.30 0.00 -0.71 0.00 0.00 52.86 53.09 1h67 s ASN 76 Cb 0.00 -2.38 -0.10 0.00 0.41 0.00 0.00 41.25 39.18 1h67 s ASN 76 CO 0.00 0.14 1.39 -1.81 -1.51 0.00 0.00 177.10 175.31 1h67 s ASP 77 N -0.45 6.72 0.00 -1.22 1.01 -1.26 -4.79 116.67 116.68 1h67 s ASP 77 Ca 0.31 2.62 -0.02 0.00 0.71 0.00 0.00 52.55 56.18 1h67 s ASP 77 Cb -0.19 -2.63 -0.09 0.00 1.01 0.00 0.00 42.92 41.03 1h67 s ASP 77 CO 0.19 -0.64 1.95 -0.81 0.21 0.00 0.00 175.17 176.06 1h67 n PRO 78 N 2.09 0.99 0.29 8.23 -0.04 -1.26 -4.42 135.00 140.88 1h67 n PRO 78 Ca 0.05 -0.32 -0.12 0.00 -0.04 0.00 0.00 63.50 63.07 1h67 n PRO 78 Cb 0.41 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.33 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 1.80 0.00 0.00 0.52 2.07 -1.98 -3.45 116.25 115.21 1h67 h VAL 79 Ca 0.06 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.21 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 0.15 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.74 1h67 n GLN 80 N -5.11 0.00 0.00 1.57 1.13 -1.26 -5.07 117.38 108.64 1h67 n GLN 80 Ca -0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 1h67 n GLN 80 Cb 0.31 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.66 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 0.22 1.08 3.02 -1.26 -4.87 115.26 113.44 1h67 n ASN 81 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.61 1h67 n ASN 81 Cb 0.00 0.02 0.54 0.00 -0.61 0.00 0.00 39.78 39.73 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 0.05 -0.61 3.10 5.08 -1.97 -2.57 115.95 119.03 1h67 h TRP 82 Ca 0.00 -0.00 0.11 0.00 1.08 0.00 0.00 58.89 60.08 1h67 h TRP 82 Cb 0.00 -0.02 -0.08 0.00 -3.00 0.00 0.00 29.16 26.06 1h67 h TRP 82 CO 0.00 0.14 0.15 0.45 -1.28 0.00 0.00 178.44 177.91 1h67 h HIS 83 N 0.05 0.25 -0.28 0.12 3.86 -1.89 -1.05 115.15 116.21 1h67 h HIS 83 Ca 0.01 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.29 1h67 h HIS 83 Cb 0.20 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.61 1h67 h HIS 83 CO 0.00 -0.00 0.07 0.87 0.86 0.00 0.00 177.93 179.72 1h67 h LYS 84 N 0.29 0.17 -0.34 2.45 1.57 -1.62 -0.76 116.57 118.34 1h67 h LYS 84 Ca 0.32 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.16 1h67 h LYS 84 Cb 0.46 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1h67 h LYS 84 CO -0.38 0.11 0.23 -0.07 -0.57 0.00 0.00 179.45 178.77 1h67 h LEU 85 N 0.18 0.10 -0.00 2.94 3.38 -1.28 0.02 115.31 120.65 1h67 h LEU 85 Ca 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1h67 h LEU 85 Cb 0.12 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1h67 h LEU 85 CO -0.16 0.06 -0.07 -0.08 0.09 0.00 0.00 178.44 178.29 1h67 h GLU 86 N 0.11 0.06 -0.52 1.13 4.57 -0.12 -2.75 114.58 117.05 1h67 h GLU 86 Ca 0.16 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1h67 h GLU 86 Cb 0.47 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 1h67 h GLU 86 CO -0.02 0.79 0.31 -0.91 -1.18 0.00 0.00 179.01 178.01 1h67 h ASN 87 N -0.66 0.63 -0.99 1.04 2.35 -0.70 -2.02 115.58 115.23 1h67 h ASN 87 Ca -0.01 -0.06 0.03 0.00 -0.55 0.00 0.00 56.30 55.71 1h67 h ASN 87 Cb 0.82 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.97 1h67 h ASN 87 CO 0.01 0.51 0.65 0.40 -1.65 0.00 0.00 177.43 177.35 1h67 h ILE 88 N 0.70 1.20 -0.66 2.81 2.04 -1.10 -2.00 117.51 120.49 1h67 h ILE 88 Ca 0.19 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 1h67 h ILE 88 Cb -0.00 -0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 35.85 1h67 h ILE 88 CO -0.03 0.23 0.34 1.23 0.00 0.00 0.00 178.15 179.92 1h67 h GLY 89 N 1.28 1.00 0.98 5.37 0.00 -1.11 -1.69 103.07 108.90 1h67 h GLY 89 Ca 0.38 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 1h67 h GLY 89 CO -0.11 0.45 0.27 3.43 0.00 0.00 0.00 176.54 180.58 1h67 h ASN 90 N 0.91 0.67 -0.07 0.19 2.35 -0.76 0.70 115.58 119.58 1h67 h ASN 90 Ca 0.23 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1h67 h ASN 90 Cb 0.08 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 1h67 h ASN 90 CO -0.03 0.60 0.02 0.15 -1.65 0.00 0.00 177.43 176.52 1h67 h PHE 91 N 0.70 0.12 -0.28 1.19 3.57 -1.18 -1.92 116.94 119.13 1h67 h PHE 91 Ca 0.18 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.60 1h67 h PHE 91 Cb 0.09 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1h67 h PHE 91 CO -0.01 0.27 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.16 1h67 h LEU 92 N -0.07 0.58 -1.08 0.59 3.38 -1.24 -1.42 115.31 116.05 1h67 h LEU 92 Ca 0.02 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1h67 h LEU 92 Cb 0.20 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1h67 h LEU 92 CO -0.00 0.85 0.58 0.08 0.09 0.00 0.00 178.44 180.03 1h67 h ARG 93 N 0.31 1.20 -0.14 1.13 0.11 -0.88 0.34 114.38 116.45 1h67 h ARG 93 Ca 0.07 -0.09 -0.04 0.00 0.10 0.00 0.00 59.98 60.01 1h67 h ARG 93 Cb 0.61 -0.26 -0.00 0.00 1.11 0.00 0.00 29.97 31.43 1h67 h ARG 93 CO 0.04 0.81 -0.09 0.00 0.10 0.00 0.00 179.97 180.83 1h67 h ALA 94 N 1.41 0.20 -0.21 0.08 0.00 -1.26 -2.79 119.26 116.69 1h67 h ALA 94 Ca 0.33 -0.28 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 1h67 h ALA 94 Cb -0.11 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1h67 h ALA 94 CO -0.07 0.02 -0.63 -0.84 0.00 0.00 0.00 179.25 177.73 1h67 h ILE 95 N -0.04 1.29 -0.65 0.00 3.07 -1.01 0.46 117.51 120.62 1h67 h ILE 95 Ca 0.03 -1.83 0.03 0.00 1.55 0.00 0.00 64.86 64.64 1h67 h ILE 95 Cb 0.57 1.85 -0.04 0.00 -0.27 0.00 0.00 36.82 38.93 1h67 h ILE 95 CO 0.02 0.59 0.43 0.50 -1.05 0.00 0.00 178.15 178.64 1h67 h LYS 96 N 0.54 0.75 0.04 0.16 3.64 -0.40 -2.32 116.57 118.98 1h67 h LYS 96 Ca -0.02 -0.04 -0.31 0.00 -1.27 0.00 0.00 60.65 59.00 1h67 h LYS 96 Cb 1.25 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.86 1h67 h LYS 96 CO 0.14 0.49 -1.80 1.58 -2.27 0.00 0.00 179.45 177.59 1h67 n HIS 97 N -4.46 1.06 -0.26 1.91 -0.00 -1.05 -4.21 115.22 108.21 1h67 n HIS 97 Ca 0.08 0.33 0.05 0.00 0.46 0.00 0.00 57.72 58.64 1h67 n HIS 97 Cb 0.13 -1.18 0.19 0.00 -0.12 0.00 0.00 29.99 29.01 1h67 n HIS 97 CO 0.00 0.00 0.00 -0.92 0.46 0.00 0.00 176.34 175.88 1h67 h TYR 98 N 0.02 0.54 0.00 1.57 3.20 0.45 -3.45 116.97 119.31 1h67 h TYR 98 Ca -0.33 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.58 1h67 h TYR 98 Cb 2.02 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 40.17 1h67 h TYR 98 CO 0.02 0.08 0.00 0.41 -1.64 0.00 0.00 178.16 177.03 1h67 n GLY 99 N -1.32 0.00 3.68 1.82 0.00 -0.96 -5.06 105.19 103.34 1h67 n GLY 99 Ca 0.14 -0.01 -0.48 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.02 0.49 -2.18 1.61 0.31 -1.09 -4.92 118.33 111.54 1h67 n VAL 100 Ca 0.00 -0.09 -0.39 0.00 -0.01 0.00 0.00 64.34 63.85 1h67 n VAL 100 Cb 0.00 -1.80 -0.01 0.00 -0.91 0.00 0.00 33.84 31.11 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 3.63 4.06 -0.82 5.55 1.02 -1.26 -4.44 119.74 127.48 1h67 s LYS 101 Ca 0.91 2.00 -0.27 0.00 0.02 0.00 0.00 55.97 58.63 1h67 s LYS 101 Cb -0.71 -2.77 -0.25 0.00 -0.52 0.00 0.00 37.83 33.59 1h67 s LYS 101 CO 0.50 -0.36 1.95 -2.30 -0.92 0.00 0.00 175.35 174.23 1h67 n PRO 102 N 0.21 0.39 0.00 -1.68 -0.02 -1.26 -2.57 135.00 130.07 1h67 n PRO 102 Ca 0.03 -1.67 0.00 0.00 -2.02 0.00 0.00 63.50 59.85 1h67 n PRO 102 Cb 0.45 -3.51 0.00 0.00 -0.02 0.00 0.00 33.50 30.42 1h67 n PRO 102 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1h67 n HIS 103 N 15.79 0.00 -1.68 6.00 -0.00 -1.26 -4.93 115.22 129.15 1h67 n HIS 103 Ca 0.44 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.91 1h67 n HIS 103 Cb 0.45 0.00 0.07 0.00 -0.00 0.00 0.00 29.99 30.52 1h67 n HIS 103 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1h67 n ASP 104 N -0.38 5.45 -3.77 0.26 9.92 -1.06 -4.95 116.55 122.01 1h67 n ASP 104 Ca 0.00 -3.77 -0.15 0.00 -0.53 0.00 0.00 54.79 50.34 1h67 n ASP 104 Cb 0.00 -0.62 -0.16 0.00 -0.64 0.00 0.00 41.12 39.70 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 -4.43 -0.06 0.00 0.53 1.01 -1.26 -4.09 121.20 112.91 1h67 s ILE 105 Ca 0.55 0.20 0.00 0.00 0.00 0.00 0.00 60.65 61.40 1h67 s ILE 105 Cb 0.45 -0.11 0.00 0.00 0.01 0.00 0.00 42.46 42.80 1h67 s ILE 105 CO 0.02 0.08 0.00 2.22 0.00 0.00 0.00 174.94 177.26 1h67 n PHE 106 N 4.16 -0.01 -3.86 3.97 1.16 -1.26 -5.05 117.46 116.57 1h67 n PHE 106 Ca -0.27 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.21 1h67 n PHE 106 Cb 0.51 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.32 1h67 n PHE 106 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 1h67 s GLU 107 N 0.00 1.20 0.59 3.97 2.02 -1.26 -4.99 118.70 120.23 1h67 s GLU 107 Ca 0.00 -1.03 0.29 0.00 0.02 0.00 0.00 54.97 54.25 1h67 s GLU 107 Cb 0.00 0.43 1.37 0.00 0.10 0.00 0.00 34.13 36.02 1h67 s GLU 107 CO 0.00 -0.46 1.76 0.00 0.02 0.00 0.00 175.26 176.58 1h67 h ALA 108 N 2.44 2.40 0.22 5.21 0.00 -1.93 0.21 119.26 127.81 1h67 h ALA 108 Ca -0.31 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.26 1h67 h ALA 108 Cb 1.24 0.05 0.04 0.00 0.00 0.00 0.00 17.79 19.11 1h67 h ALA 108 CO 0.45 -0.99 -1.38 -0.91 0.00 0.00 0.00 179.25 176.42 1h67 h ASN 109 N 0.00 0.83 0.10 0.00 4.21 -1.97 -2.64 115.58 116.11 1h67 h ASN 109 Ca 0.30 -0.90 0.01 0.00 1.21 0.00 0.00 56.30 56.91 1h67 h ASN 109 Cb 1.63 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 38.55 1h67 h ASN 109 CO -0.00 1.67 -0.11 0.44 -1.29 0.00 0.00 177.43 178.13 1h67 h ASP 110 N 0.13 -0.31 -0.13 5.81 5.19 -0.98 0.27 116.42 126.40 1h67 h ASP 110 Ca -0.24 0.03 -0.06 0.00 -0.62 0.00 0.00 57.03 56.15 1h67 h ASP 110 Cb 2.08 0.11 -0.00 0.00 0.18 0.00 0.00 39.33 41.70 1h67 h ASP 110 CO 0.26 -0.17 -0.15 0.25 -3.12 0.00 0.00 179.24 176.31 1h67 h LEU 111 N -0.24 0.36 -0.20 1.55 5.85 -1.65 0.47 115.31 121.45 1h67 h LEU 111 Ca 0.01 -0.49 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 1h67 h LEU 111 Cb 0.24 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1h67 h LEU 111 CO -0.05 0.78 0.12 0.15 -0.34 0.00 0.00 178.44 179.10 1h67 h PHE 112 N -0.05 0.26 0.00 1.25 3.57 -1.43 -2.27 116.94 118.27 1h67 h PHE 112 Ca 0.02 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1h67 h PHE 112 Cb 0.69 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1h67 h PHE 112 CO 0.09 0.22 0.00 0.93 -2.23 0.00 0.00 178.31 177.31 1h67 h GLU 113 N 0.23 0.00 -3.77 1.11 4.39 -0.52 -3.47 114.58 112.55 1h67 h GLU 113 Ca 0.07 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.46 1h67 h GLU 113 Cb 0.03 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 28.74 1h67 h GLU 113 CO -0.01 0.00 -0.48 0.09 -1.16 0.00 0.00 179.01 177.45 1h67 n ASN 114 N -2.40 -5.16 -0.10 1.42 3.02 0.00 -4.94 115.26 107.10 1h67 n ASN 114 Ca 0.04 -0.26 -0.19 0.00 -0.03 0.00 0.00 54.58 54.15 1h67 n ASN 114 Cb 0.38 -3.97 -0.10 0.00 -0.61 0.00 0.00 39.78 35.48 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 -1.26 0.91 -1.46 3.41 1.35 -1.39 -3.40 112.91 111.07 1h67 h THR 115 Ca -0.42 -2.06 -0.76 0.00 -0.55 0.00 0.00 66.41 62.63 1h67 h THR 115 Cb 1.28 2.09 -0.16 0.00 -1.73 0.00 0.00 68.15 69.64 1h67 h THR 115 CO 0.44 0.31 2.05 0.59 -0.25 0.00 0.00 175.52 178.66 1h67 n ASN 116 N -4.48 7.02 -0.09 5.36 4.13 -1.22 -4.77 115.26 121.21 1h67 n ASN 116 Ca -0.26 -3.21 -0.06 0.00 1.68 0.00 0.00 54.58 52.73 1h67 n ASN 116 Cb 0.60 -1.37 0.01 0.00 -1.54 0.00 0.00 39.78 37.48 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 4.95 0.08 -0.47 3.10 3.86 -1.85 -1.26 115.15 123.56 1h67 h HIS 117 Ca 0.56 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.76 1h67 h HIS 117 Cb 0.42 0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 1h67 h HIS 117 CO 1.43 0.01 0.17 1.15 0.86 0.00 0.00 177.93 181.55 1h67 h THR 118 N 0.16 1.22 -0.71 2.45 2.02 -1.98 -2.84 112.91 113.23 1h67 h THR 118 Ca 0.16 -0.69 0.03 0.00 0.77 0.00 0.00 66.41 66.67 1h67 h THR 118 Cb 0.18 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 1h67 h THR 118 CO -0.22 0.25 0.47 -0.61 0.37 0.00 0.00 175.52 175.78 1h67 h GLN 119 N 0.62 0.85 -0.31 6.66 5.75 -1.85 -1.47 115.11 125.36 1h67 h GLN 119 Ca 0.15 -0.05 0.06 0.00 -0.15 0.00 0.00 58.65 58.66 1h67 h GLN 119 Cb 0.23 -0.19 -0.05 0.00 1.07 0.00 0.00 27.48 28.53 1h67 h GLN 119 CO -0.01 0.57 -0.03 0.28 -2.65 0.00 0.00 178.83 176.98 1h67 h VAL 120 N 0.88 0.73 -0.23 2.39 2.07 -0.99 0.13 116.25 121.23 1h67 h VAL 120 Ca 0.28 -0.02 -0.18 0.00 0.82 0.00 0.00 66.70 67.60 1h67 h VAL 120 Cb 0.01 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1h67 h VAL 120 CO -0.07 0.01 -0.57 1.56 0.02 0.00 0.00 177.57 178.51 1h67 h GLN 121 N 0.05 0.79 -0.78 1.57 4.20 -1.51 -3.19 115.11 116.24 1h67 h GLN 121 Ca 0.15 -0.55 0.08 0.00 0.06 0.00 0.00 58.65 58.39 1h67 h GLN 121 Cb 0.22 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.01 1h67 h GLN 121 CO -0.28 1.17 0.45 1.03 -0.67 0.00 0.00 178.83 180.52 1h67 h SER 122 N 0.53 0.66 -0.46 1.46 0.87 -0.87 -1.51 113.55 114.24 1h67 h SER 122 Ca -0.01 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1h67 h SER 122 Cb 1.19 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 63.03 1h67 h SER 122 CO 0.12 0.40 0.28 0.74 -0.53 0.00 0.00 176.83 177.85 1h67 h THR 123 N 0.79 1.08 -0.30 2.23 2.02 -0.99 -1.80 112.91 115.93 1h67 h THR 123 Ca 0.36 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.34 1h67 h THR 123 Cb 0.27 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1h67 h THR 123 CO -0.21 0.10 0.18 -0.07 0.37 0.00 0.00 175.52 175.89 1h67 h LEU 124 N 0.57 0.37 -0.63 2.58 3.38 -1.38 -1.82 115.31 118.39 1h67 h LEU 124 Ca 0.18 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.14 1h67 h LEU 124 Cb -0.02 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 1h67 h LEU 124 CO -0.06 0.33 0.33 0.40 0.09 0.00 0.00 178.44 179.53 1h67 h ILE 125 N 0.38 0.93 -0.42 1.22 2.04 -1.01 -1.06 117.51 119.59 1h67 h ILE 125 Ca 0.11 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1h67 h ILE 125 Cb 0.03 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 1h67 h ILE 125 CO -0.02 0.11 0.19 0.00 0.00 0.00 0.00 178.15 178.43 1h67 h ALA 126 N 1.34 0.55 -0.29 1.87 0.00 -1.09 -2.60 119.26 119.04 1h67 h ALA 126 Ca 0.29 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1h67 h ALA 126 Cb 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1h67 h ALA 126 CO -0.20 0.12 0.11 1.25 0.00 0.00 0.00 179.25 180.53 1h67 h LEU 127 N 0.54 0.36 -0.98 0.00 5.85 -0.79 -2.39 115.31 117.90 1h67 h LEU 127 Ca 0.14 -0.03 0.14 0.00 0.84 0.00 0.00 57.88 58.97 1h67 h LEU 127 Cb 0.14 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 40.99 1h67 h LEU 127 CO -0.02 0.34 0.60 0.00 -0.34 0.00 0.00 178.44 179.03 1h67 h ALA 128 N 1.72 1.51 -0.66 1.25 0.00 -0.80 0.62 119.26 122.91 1h67 h ALA 128 Ca 0.10 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1h67 h ALA 128 Cb 0.10 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1h67 h ALA 128 CO -0.01 0.14 0.43 0.77 0.00 0.00 0.00 179.25 180.58 1h67 h SER 129 N 0.91 0.61 0.23 0.00 0.02 -1.45 -2.67 113.55 111.19 1h67 h SER 129 Ca 0.51 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.45 1h67 h SER 129 Cb 0.59 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1h67 h SER 129 CO -0.30 0.40 -0.11 1.56 -1.14 0.00 0.00 176.83 177.24 1h67 h GLN 130 N 0.70 -0.30 -2.00 3.45 7.50 -0.97 -2.98 115.11 120.51 1h67 h GLN 130 Ca 0.28 0.02 -0.00 0.00 0.50 0.00 0.00 58.65 59.44 1h67 h GLN 130 Cb 0.21 0.07 -0.00 0.00 0.05 0.00 0.00 27.48 27.80 1h67 h GLN 130 CO -0.08 -0.07 -0.01 0.00 -1.50 0.00 0.00 178.83 177.17 1h67 n ALA 131 N -2.32 3.85 -0.03 3.87 0.00 -1.01 -4.27 120.51 120.60 1h67 n ALA 131 Ca -0.09 -0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.16 1h67 n ALA 131 Cb 0.20 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 18.43 1h67 n ALA 131 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1h67 h LYS 132 N 1.31 0.10 -0.08 0.00 2.10 -1.54 -3.41 116.57 115.06 1h67 h LYS 132 Ca 0.00 -0.07 -0.17 0.00 -2.00 0.00 0.00 60.65 58.41 1h67 h LYS 132 Cb 0.93 0.01 -0.22 0.00 -0.90 0.00 0.00 32.23 32.05 1h67 h LYS 132 CO 0.01 0.66 -0.53 0.25 -2.00 0.00 0.00 179.45 177.84 1h67 n THR 133 N -4.71 0.24 1.10 0.07 -2.24 -1.26 -5.14 114.28 102.33 1h67 n THR 133 Ca -0.08 -1.10 0.09 0.00 -2.27 0.00 0.00 64.05 60.69 1h67 n THR 133 Cb 0.34 0.92 0.52 0.00 -2.10 0.00 0.00 70.33 70.01 1h67 n THR 133 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79