#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h20 h THR 6 N 0.00 0.71 -0.30 5.15 2.02 -1.95 -0.01 112.91 118.53 3h20 h THR 6 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 3h20 h THR 6 Cb 0.00 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 3h20 h THR 6 CO 0.00 0.00 0.09 0.25 0.37 0.00 0.00 175.52 176.23 3h20 h LEU 7 N -0.22 0.09 -0.84 2.58 5.85 -1.95 -0.55 115.31 120.26 3h20 h LEU 7 Ca 0.03 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3h20 h LEU 7 Cb 0.26 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 3h20 h LEU 7 CO -0.09 0.08 0.46 1.56 -0.34 0.00 0.00 178.44 180.11 3h20 h GLN 8 N 0.22 1.18 -0.25 1.25 7.50 -1.96 -0.91 115.11 122.13 3h20 h GLN 8 Ca 0.13 -0.14 -0.04 0.00 0.50 0.00 0.00 58.65 59.11 3h20 h GLN 8 Cb 0.11 -0.23 -0.01 0.00 0.05 0.00 0.00 27.48 27.41 3h20 h GLN 8 CO -0.15 0.87 0.00 0.00 -1.50 0.00 0.00 178.83 178.05 3h20 h ALA 9 N 1.25 0.34 -0.09 3.87 0.00 -0.56 -1.39 119.26 122.68 3h20 h ALA 9 Ca 0.30 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3h20 h ALA 9 Cb 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3h20 h ALA 9 CO -0.05 0.07 -0.03 0.82 0.00 0.00 0.00 179.25 180.06 3h20 h ILE 10 N 0.22 0.89 -0.42 0.00 2.04 -0.98 -0.42 117.51 118.85 3h20 h ILE 10 Ca 0.07 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.01 3h20 h ILE 10 Cb 0.41 0.89 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 3h20 h ILE 10 CO 0.01 0.00 0.03 1.23 0.00 0.00 0.00 178.15 179.42 3h20 h GLY 11 N -0.02 0.44 1.06 5.37 0.00 -1.09 -0.21 103.07 108.63 3h20 h GLY 11 Ca 0.05 0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.34 3h20 h GLY 11 CO -0.10 -0.09 0.20 3.21 0.00 0.00 0.00 176.54 179.77 3h20 h ARG 12 N 0.14 1.16 -0.15 4.80 3.08 -1.09 -2.47 114.38 119.85 3h20 h ARG 12 Ca 0.21 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3h20 h ARG 12 Cb 0.28 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3h20 h ARG 12 CO -0.32 1.00 0.03 0.37 -1.07 0.00 0.00 179.97 179.98 3h20 h GLN 13 N 1.11 0.24 -0.81 0.04 4.15 -0.57 -1.62 115.11 117.65 3h20 h GLN 13 Ca 0.23 -0.06 0.05 0.00 0.77 0.00 0.00 58.65 59.65 3h20 h GLN 13 Cb 0.34 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 27.95 3h20 h GLN 13 CO -0.00 0.41 0.50 -0.07 -1.93 0.00 0.00 178.83 177.73 3h20 h LEU 14 N 0.03 0.79 -0.47 -2.39 3.38 -1.08 -0.02 115.31 115.56 3h20 h LEU 14 Ca 0.05 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3h20 h LEU 14 Cb 0.28 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3h20 h LEU 14 CO 0.00 0.51 0.11 0.50 0.09 0.00 0.00 178.44 179.66 3h20 h LYS 15 N 0.92 0.75 -0.36 1.13 3.64 -1.36 0.12 116.57 121.42 3h20 h LYS 15 Ca 0.35 -0.18 -0.10 0.00 -1.27 0.00 0.00 60.65 59.44 3h20 h LYS 15 Cb 0.13 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3h20 h LYS 15 CO -0.16 0.73 -0.20 0.00 -2.27 0.00 0.00 179.45 177.55 3h20 h ALA 16 N 0.98 0.98 -0.33 5.00 0.00 -0.95 -2.51 119.26 122.43 3h20 h ALA 16 Ca 0.15 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 3h20 h ALA 16 Cb 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3h20 h ALA 16 CO 0.00 0.60 -0.28 0.52 0.00 0.00 0.00 179.25 180.09 3h20 h MET 17 N 0.60 0.78 0.00 0.00 2.86 -0.91 -3.41 114.93 114.86 3h20 h MET 17 Ca 0.09 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 3h20 h MET 17 Cb 0.67 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.34 3h20 h MET 17 CO 0.05 1.02 0.00 0.41 1.06 0.00 0.00 176.91 179.45 3h20 n GLY 18 N 0.10 0.89 3.79 8.32 0.00 0.40 -4.99 105.19 113.71 3h20 n GLY 18 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 3h20 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h20 h GLU 20 N 0.83 0.72 -4.80 0.00 4.39 -1.95 -3.44 114.58 110.34 3h20 h GLU 20 Ca -0.48 -0.63 -0.33 0.00 0.34 0.00 0.00 59.36 58.26 3h20 h GLU 20 Cb 1.23 0.14 -0.22 0.00 -0.10 0.00 0.00 28.75 29.80 3h20 h GLU 20 CO 0.57 1.23 -0.75 1.03 -1.16 0.00 0.00 179.01 179.94 3h20 s ARG 21 N -3.63 0.62 0.05 2.33 0.52 -1.26 -2.96 118.95 114.63 3h20 s ARG 21 Ca -0.09 -0.76 0.03 0.00 -0.52 0.00 0.00 55.73 54.39 3h20 s ARG 21 Cb 0.08 -0.48 -0.03 0.00 0.52 0.00 0.00 34.95 35.04 3h20 s ARG 21 CO 0.90 0.10 -0.11 -0.06 0.02 0.00 0.00 175.30 176.16 3h20 s PHE 22 N -1.21 0.91 -0.13 -0.53 0.40 -0.25 -1.51 117.98 115.66 3h20 s PHE 22 Ca -0.06 -0.48 -0.18 0.00 -0.60 0.00 0.00 56.93 55.61 3h20 s PHE 22 Cb -0.09 -0.52 -0.04 0.00 0.51 0.00 0.00 43.02 42.87 3h20 s PHE 22 CO 0.01 -0.02 0.46 -0.51 0.70 0.00 0.00 175.22 175.85 3h20 s ASP 23 N -1.66 6.64 -0.18 1.36 1.01 0.17 -1.19 116.67 122.82 3h20 s ASP 23 Ca -0.06 0.76 -0.05 0.00 0.71 0.00 0.00 52.55 53.91 3h20 s ASP 23 Cb -0.10 -2.27 -0.03 0.00 1.01 0.00 0.00 42.92 41.53 3h20 s ASP 23 CO 0.01 -0.00 -0.01 -0.63 0.21 0.00 0.00 175.17 174.75 3h20 s ILE 24 N 0.69 3.96 -0.09 0.77 -1.09 0.35 -2.03 121.20 123.76 3h20 s ILE 24 Ca 0.25 -0.32 -0.00 0.00 -2.23 0.00 0.00 60.65 58.34 3h20 s ILE 24 Cb -0.15 -2.77 -0.03 0.00 -1.58 0.00 0.00 42.46 37.94 3h20 s ILE 24 CO 0.09 0.46 -0.07 -0.83 -1.23 0.00 0.00 174.94 173.37 3h20 s GLY 25 N 0.68 1.69 -0.18 6.18 0.00 -0.17 -1.40 107.32 114.13 3h20 s GLY 25 Ca -0.01 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.84 3h20 s GLY 25 CO 0.02 -0.53 -0.09 0.14 0.00 0.00 0.00 173.10 172.64 3h20 s VAL 26 N -0.52 1.42 -0.10 1.40 1.01 -0.19 -0.13 120.40 123.29 3h20 s VAL 26 Ca 0.08 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.29 3h20 s VAL 26 Cb -0.12 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.77 3h20 s VAL 26 CO 0.02 0.21 -0.15 -0.60 0.00 0.00 0.00 175.10 174.57 3h20 s ARG 27 N 1.51 2.20 -0.39 2.72 3.52 -0.61 -0.72 118.95 127.17 3h20 s ARG 27 Ca 0.01 -0.56 -0.29 0.00 -0.13 0.00 0.00 55.73 54.76 3h20 s ARG 27 Cb -0.15 -1.84 0.01 0.00 -1.56 0.00 0.00 34.95 31.41 3h20 s ARG 27 CO -0.08 -0.03 1.35 0.34 -0.81 0.00 0.00 175.30 176.07 3h20 s ASP 28 N 0.88 6.47 0.53 -2.12 -1.08 -0.08 -0.32 116.67 120.93 3h20 s ASP 28 Ca -0.09 0.90 0.26 0.00 -0.52 0.00 0.00 52.55 53.10 3h20 s ASP 28 Cb -0.15 -2.54 1.49 0.00 -1.46 0.00 0.00 42.92 40.25 3h20 s ASP 28 CO 0.00 -1.31 2.11 0.00 0.52 0.00 0.00 175.17 176.49 3h20 h ALA 29 N 10.13 1.40 0.10 3.66 0.00 -1.80 0.14 119.26 132.89 3h20 h ALA 29 Ca -0.27 -0.09 -0.33 0.00 0.00 0.00 0.00 54.91 54.23 3h20 h ALA 29 Cb 1.10 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3h20 h ALA 29 CO 1.08 0.12 -1.77 1.15 0.00 0.00 0.00 179.25 179.83 3h20 h THR 30 N 0.00 0.74 0.06 0.00 2.02 -1.91 -3.42 112.91 110.39 3h20 h THR 30 Ca -0.00 -2.31 -0.37 0.00 0.77 0.00 0.00 66.41 64.49 3h20 h THR 30 Cb 0.25 2.46 -0.04 0.00 -1.74 0.00 0.00 68.15 69.08 3h20 h THR 30 CO 0.01 0.74 -2.16 0.41 0.37 0.00 0.00 175.52 174.90 3h20 n THR 31 N -3.75 1.63 0.00 3.16 -1.04 -1.15 -5.00 114.28 108.12 3h20 n THR 31 Ca -0.31 -0.54 0.00 0.00 -2.04 0.00 0.00 64.05 61.16 3h20 n THR 31 Cb 0.95 -1.66 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 3h20 n THR 31 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3h20 n GLY 32 N 1.97 1.05 3.77 3.41 0.00 0.48 -5.06 105.19 110.81 3h20 n GLY 32 Ca -0.39 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 3h20 n GLY 32 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3h20 s GLN 33 N -0.27 4.03 -0.01 1.61 0.74 -1.25 -4.67 119.66 119.84 3h20 s GLN 33 Ca 0.00 1.94 0.04 0.00 0.05 0.00 0.00 55.36 57.40 3h20 s GLN 33 Cb 0.00 -2.71 -0.01 0.00 1.10 0.00 0.00 33.01 31.39 3h20 s GLN 33 CO 0.00 -0.37 -0.15 1.41 -0.55 0.00 0.00 175.29 175.63 3h20 s MET 34 N -2.26 1.20 0.02 1.67 -2.45 -1.26 -0.91 119.30 115.31 3h20 s MET 34 Ca 0.57 -0.52 0.03 0.00 -1.25 0.00 0.00 55.69 54.52 3h20 s MET 34 Cb -0.33 -1.15 -0.02 0.00 1.25 0.00 0.00 34.83 34.58 3h20 s MET 34 CO 0.42 0.31 -0.10 -1.64 1.05 0.00 0.00 175.02 175.06 3h20 s MET 35 N -0.34 0.74 -0.06 4.11 -1.94 0.10 -5.00 119.30 116.90 3h20 s MET 35 Ca 0.05 -0.56 0.01 0.00 -1.71 0.00 0.00 55.69 53.49 3h20 s MET 35 Cb -0.06 -0.69 0.02 0.00 2.01 0.00 0.00 34.83 36.11 3h20 s MET 35 CO -0.01 0.17 -0.08 -0.80 -0.01 0.00 0.00 175.02 174.30 3h20 s ASN 36 N -0.81 1.52 0.05 3.03 -0.87 -1.26 -1.02 114.94 115.58 3h20 s ASN 36 Ca 0.00 -0.23 0.07 0.00 -1.57 0.00 0.00 52.86 51.13 3h20 s ASN 36 Cb -0.06 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.25 40.47 3h20 s ASN 36 CO 0.00 -0.03 -0.19 -0.13 -2.57 0.00 0.00 177.10 174.19 3h20 s ARG 37 N 0.96 1.24 -0.20 -0.60 1.81 -0.49 -4.99 118.95 116.68 3h20 s ARG 37 Ca -0.10 -0.92 -0.06 0.00 -1.72 0.00 0.00 55.73 52.94 3h20 s ARG 37 Cb -0.15 -1.34 -0.03 0.00 -0.45 0.00 0.00 34.95 32.98 3h20 s ARG 37 CO 0.00 0.34 0.02 -2.00 -0.68 0.00 0.00 175.30 172.98 3h20 s GLU 38 N -1.25 3.69 -0.01 3.54 2.12 -1.26 -0.49 118.70 125.04 3h20 s GLU 38 Ca 0.06 -0.48 -0.03 0.00 0.36 0.00 0.00 54.97 54.88 3h20 s GLU 38 Cb -0.09 -3.13 -0.00 0.00 0.26 0.00 0.00 34.13 31.18 3h20 s GLU 38 CO 0.02 0.05 0.05 -1.58 -0.54 0.00 0.00 175.26 173.26 3h20 s TRP 39 N 0.92 0.02 0.96 5.30 0.51 -0.33 -4.98 118.94 121.34 3h20 s TRP 39 Ca 0.02 -0.04 -0.11 0.00 -2.12 0.00 0.00 56.10 53.85 3h20 s TRP 39 Cb -0.14 -0.04 0.17 0.00 -0.81 0.00 0.00 33.47 32.65 3h20 s TRP 39 CO 0.02 -0.11 1.11 -1.54 -0.51 0.00 0.00 176.95 175.92 3h20 s SER 40 N -0.54 2.64 0.26 2.95 1.04 -1.26 -1.09 113.70 117.70 3h20 s SER 40 Ca -0.06 1.94 -0.02 0.00 0.48 0.00 0.00 55.95 58.29 3h20 s SER 40 Cb -0.04 -2.47 0.50 0.00 0.10 0.00 0.00 66.02 64.11 3h20 s SER 40 CO 0.00 -3.24 1.76 0.00 0.98 0.00 0.00 173.24 172.74 3h20 h ALA 41 N -1.96 1.21 -0.96 5.32 0.00 -1.82 -0.59 119.26 120.46 3h20 h ALA 41 Ca -0.48 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.53 3h20 h ALA 41 Cb 1.28 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 3h20 h ALA 41 CO 0.46 -0.11 0.63 0.00 0.00 0.00 0.00 179.25 180.23 3h20 h ALA 42 N 1.54 1.33 -0.12 0.00 0.00 -1.91 -2.36 119.26 117.74 3h20 h ALA 42 Ca 0.44 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.14 3h20 h ALA 42 Cb 0.62 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3h20 h ALA 42 CO -0.36 0.61 -0.56 0.93 0.00 0.00 0.00 179.25 179.88 3h20 h GLU 43 N 1.28 0.37 -0.04 0.00 5.08 -1.64 -1.02 114.58 118.61 3h20 h GLU 43 Ca 0.36 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3h20 h GLU 43 Cb -0.12 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 3h20 h GLU 43 CO -0.08 0.83 0.02 0.28 -1.00 0.00 0.00 179.01 179.06 3h20 h VAL 44 N 0.28 1.01 -0.88 3.13 2.07 -0.77 -1.63 116.25 119.46 3h20 h VAL 44 Ca 0.00 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 3h20 h VAL 44 Cb 1.06 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 3h20 h VAL 44 CO 0.09 0.01 0.45 -0.07 0.02 0.00 0.00 177.57 178.08 3h20 h LEU 45 N 0.05 1.12 -2.01 2.57 3.38 -1.39 -2.30 115.31 116.73 3h20 h LEU 45 Ca 0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3h20 h LEU 45 Cb -0.00 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.46 3h20 h LEU 45 CO -0.00 0.92 -0.03 -0.61 0.09 0.00 0.00 178.44 178.81 3h20 h GLN 46 N 1.24 0.00 -0.62 1.13 4.15 -0.93 -2.56 115.11 117.52 3h20 h GLN 46 Ca 0.31 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.73 3h20 h GLN 46 Cb 0.07 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.76 3h20 h GLN 46 CO -0.04 0.03 0.00 0.09 -1.93 0.00 0.00 178.83 176.97 3h20 n ASN 47 N -4.41 3.45 -0.28 -0.69 3.02 -0.64 -4.54 115.26 111.18 3h20 n ASN 47 Ca -0.03 -1.99 -0.01 0.00 -0.03 0.00 0.00 54.58 52.52 3h20 n ASN 47 Cb 0.11 -0.41 0.11 0.00 -0.61 0.00 0.00 39.78 38.98 3h20 n ASN 47 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3h20 h THR 48 N 3.85 1.05 -0.56 3.41 2.02 -1.25 -1.21 112.91 120.22 3h20 h THR 48 Ca 0.00 -0.30 0.07 0.00 0.77 0.00 0.00 66.41 66.94 3h20 h THR 48 Cb 0.88 0.09 -0.06 0.00 -1.74 0.00 0.00 68.15 67.32 3h20 h THR 48 CO 0.00 0.16 0.25 -0.65 0.37 0.00 0.00 175.52 175.65 3h20 h PRO 49 N 0.89 0.46 -0.53 6.66 0.11 -1.83 -0.46 132.00 137.29 3h20 h PRO 49 Ca 0.33 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.37 3h20 h PRO 49 Cb 0.11 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 3h20 h PRO 49 CO -0.15 0.30 0.19 2.35 -0.21 0.00 0.00 178.00 180.48 3h20 h TRP 50 N 0.47 0.84 -0.78 0.65 7.01 -1.69 -1.86 115.95 120.58 3h20 h TRP 50 Ca 0.26 -0.07 -0.02 0.00 2.11 0.00 0.00 58.89 61.18 3h20 h TRP 50 Cb 0.24 -0.25 -0.04 0.00 -2.10 0.00 0.00 29.16 27.02 3h20 h TRP 50 CO -0.13 0.70 0.43 -0.07 -2.79 0.00 0.00 178.44 176.58 3h20 h LEU 51 N 0.73 0.98 -0.73 0.65 3.38 -0.88 -0.58 115.31 118.85 3h20 h LEU 51 Ca 0.18 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3h20 h LEU 51 Cb 0.24 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3h20 h LEU 51 CO -0.01 0.79 0.32 0.11 0.09 0.00 0.00 178.44 179.75 3h20 h LYS 52 N 1.08 1.07 -0.02 1.13 1.57 -0.96 -0.42 116.57 120.02 3h20 h LYS 52 Ca 0.28 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3h20 h LYS 52 Cb 0.03 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 3h20 h LYS 52 CO -0.04 0.86 -0.11 -0.09 -0.57 0.00 0.00 179.45 179.50 3h20 h ARG 53 N 1.04 -0.17 -0.79 3.15 2.43 -0.82 -0.66 114.38 118.56 3h20 h ARG 53 Ca 0.25 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.43 3h20 h ARG 53 Cb 0.16 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 3h20 h ARG 53 CO -0.03 -0.11 0.49 0.52 -1.51 0.00 0.00 179.97 179.33 3h20 h MET 54 N -0.18 1.06 -0.30 0.20 2.86 -0.97 -1.81 114.93 115.79 3h20 h MET 54 Ca 0.05 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3h20 h MET 54 Cb 0.24 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3h20 h MET 54 CO -0.13 0.73 0.18 -0.97 1.06 0.00 0.00 176.91 177.78 3h20 h ASN 55 N 1.07 0.37 0.04 1.22 -0.00 -0.90 -1.76 115.58 115.62 3h20 h ASN 55 Ca 0.28 -0.06 -0.01 0.00 -0.00 0.00 0.00 56.30 56.52 3h20 h ASN 55 Cb -0.06 -0.09 -0.00 0.00 -0.00 0.00 0.00 38.32 38.16 3h20 h ASN 55 CO -0.06 0.32 -0.03 0.00 -0.00 0.00 0.00 177.43 177.66 3h20 h ALA 56 N 1.06 1.86 -0.31 1.57 0.00 -0.80 -2.05 119.26 120.60 3h20 h ALA 56 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3h20 h ALA 56 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3h20 h ALA 56 CO -0.02 0.04 0.00 1.04 0.00 0.00 0.00 179.25 180.31 3h20 n GLN 57 N -4.38 1.74 0.00 0.00 6.02 -0.71 -4.89 117.38 115.17 3h20 n GLN 57 Ca -0.03 -1.15 0.00 0.00 -0.01 0.00 0.00 57.00 55.81 3h20 n GLN 57 Cb 0.12 -1.26 0.00 0.00 1.02 0.00 0.00 30.24 30.12 3h20 n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h20 n GLY 58 N 1.02 1.13 3.78 1.08 0.00 -0.77 -5.02 105.19 106.40 3h20 n GLY 58 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3h20 n GLY 58 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h20 s ASN 59 N -2.00 6.61 0.35 1.61 0.01 -0.73 -2.34 114.94 118.45 3h20 s ASN 59 Ca 0.00 0.72 -0.21 0.00 -0.71 0.00 0.00 52.86 52.66 3h20 s ASN 59 Cb 0.00 -2.22 -0.10 0.00 0.41 0.00 0.00 41.25 39.35 3h20 s ASN 59 CO 0.00 0.19 0.87 -1.81 -1.51 0.00 0.00 177.10 174.84 3h20 s ASP 60 N -0.17 7.01 -0.18 -1.22 1.01 0.56 -4.06 116.67 119.61 3h20 s ASP 60 Ca 0.21 1.60 -0.00 0.00 0.71 0.00 0.00 52.55 55.06 3h20 s ASP 60 Cb -0.15 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.29 3h20 s ASP 60 CO 0.08 -0.21 -0.14 -0.69 0.21 0.00 0.00 175.17 174.42 3h20 s VAL 61 N -1.92 2.63 0.26 -1.27 1.01 -1.26 -1.58 120.40 118.27 3h20 s VAL 61 Ca 0.55 -0.76 0.11 0.00 0.00 0.00 0.00 61.98 61.88 3h20 s VAL 61 Cb -0.12 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 3h20 s VAL 61 CO 0.17 0.50 -0.19 -0.31 0.00 0.00 0.00 175.10 175.27 3h20 s TYR 62 N 1.14 2.16 -0.09 5.22 2.02 0.81 -2.19 117.35 126.41 3h20 s TYR 62 Ca 0.01 -0.39 -0.13 0.00 -0.37 0.00 0.00 57.07 56.19 3h20 s TYR 62 Cb -0.14 -0.96 0.03 0.00 -0.40 0.00 0.00 41.96 40.49 3h20 s TYR 62 CO -0.05 0.62 0.33 -1.50 -1.57 0.00 0.00 175.55 173.38 3h20 s ILE 63 N -2.54 0.02 0.14 2.71 2.07 0.95 -1.00 121.20 123.55 3h20 s ILE 63 Ca 0.27 -0.14 -0.17 0.00 -1.41 0.00 0.00 60.65 59.20 3h20 s ILE 63 Cb -0.04 -0.52 0.04 0.00 0.13 0.00 0.00 42.46 42.07 3h20 s ILE 63 CO 0.13 -0.08 0.45 0.00 -1.91 0.00 0.00 174.94 173.53 3h20 s ARG 64 N -0.26 1.15 0.52 3.50 1.70 -0.86 -1.22 118.95 123.47 3h20 s ARG 64 Ca -0.04 -0.70 -0.23 0.00 -0.47 0.00 0.00 55.73 54.29 3h20 s ARG 64 Cb -0.03 0.49 -0.06 0.00 -0.57 0.00 0.00 34.95 34.78 3h20 s ARG 64 CO 0.02 -0.47 1.32 -2.30 -1.08 0.00 0.00 175.30 172.79 3h20 n PRO 65 N -0.27 1.74 -1.45 3.89 -0.02 -1.26 -0.66 135.00 136.98 3h20 n PRO 65 Ca -0.15 0.64 -0.34 0.00 -2.02 0.00 0.00 63.50 61.63 3h20 n PRO 65 Cb 0.64 -2.52 0.09 0.00 -0.02 0.00 0.00 33.50 31.69 3h20 n PRO 65 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h20 s ALA 66 N -1.28 2.15 0.29 3.55 0.00 -0.57 -4.32 121.76 121.57 3h20 s ALA 66 Ca 0.69 0.82 -0.30 0.00 0.00 0.00 0.00 51.96 53.17 3h20 s ALA 66 Cb -0.44 -3.45 -0.11 0.00 0.00 0.00 0.00 23.12 19.13 3h20 s ALA 66 CO 0.52 -1.82 1.49 -1.21 0.00 0.00 0.00 175.76 174.73 3h20 s GLU 67 N -3.97 4.20 -1.10 0.00 2.02 -1.26 -1.98 118.70 116.61 3h20 s GLU 67 Ca 0.73 2.43 0.00 0.00 0.02 0.00 0.00 54.97 58.14 3h20 s GLU 67 Cb -0.27 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 30.90 3h20 s GLU 67 CO 0.45 -0.49 0.00 0.00 0.02 0.00 0.00 175.26 175.24 3h20 n GLN 68 N 1.94 -1.22 -2.34 1.61 10.64 -1.26 -5.00 117.38 121.75 3h20 n GLN 68 Ca 0.06 0.82 -0.41 0.00 -1.83 0.00 0.00 57.00 55.65 3h20 n GLN 68 Cb 0.39 -4.97 -0.03 0.00 -0.86 0.00 0.00 30.24 24.77 3h20 n GLN 68 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 3h20 s GLU 69 N -2.70 4.52 -0.36 2.61 2.56 -0.84 -5.02 118.70 119.47 3h20 s GLU 69 Ca 0.00 1.94 -0.20 0.00 0.00 0.00 0.00 54.97 56.71 3h20 s GLU 69 Cb 0.00 -3.17 0.00 0.00 2.00 0.00 0.00 34.13 32.96 3h20 s GLU 69 CO 0.00 0.02 0.60 -0.98 -0.56 0.00 0.00 175.26 174.34 3h20 s ARG 70 N -1.19 3.66 0.25 4.30 1.70 -1.26 -4.98 118.95 121.43 3h20 s ARG 70 Ca 0.48 -0.01 -0.20 0.00 -0.47 0.00 0.00 55.73 55.54 3h20 s ARG 70 Cb -0.34 -3.81 0.02 0.00 -0.57 0.00 0.00 34.95 30.25 3h20 s ARG 70 CO 0.43 -0.72 0.64 -3.38 -1.08 0.00 0.00 175.30 171.19 3h20 s HIS 71 N 2.62 -0.15 -0.16 5.89 -3.43 -1.25 -4.81 115.29 114.00 3h20 s HIS 71 Ca 0.23 -0.24 0.16 0.00 -0.80 0.00 0.00 55.06 54.41 3h20 s HIS 71 Cb -0.15 0.57 0.44 0.00 -1.43 0.00 0.00 32.58 32.01 3h20 s HIS 71 CO 0.14 -1.10 1.19 0.41 -2.00 0.00 0.00 174.74 173.38 3h20 n GLY 72 N -0.42 3.72 3.72 -1.38 0.00 -1.20 -1.10 105.19 108.53 3h20 n GLY 72 Ca -0.06 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.25 3h20 n GLY 72 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h20 s LEU 73 N -2.32 4.32 -0.12 0.99 1.02 -1.26 -0.80 118.68 120.51 3h20 s LEU 73 Ca 0.37 1.10 0.01 0.00 0.02 0.00 0.00 54.13 55.63 3h20 s LEU 73 Cb 0.38 -2.98 0.02 0.00 0.02 0.00 0.00 46.19 43.63 3h20 s LEU 73 CO -0.08 -0.07 -0.13 -0.69 0.02 0.00 0.00 176.35 175.39 3h20 s VAL 74 N 0.67 1.42 0.04 -1.59 1.01 0.51 -4.93 120.40 117.52 3h20 s VAL 74 Ca 0.34 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 3h20 s VAL 74 Cb -0.17 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3h20 s VAL 74 CO 0.16 0.43 0.95 -0.22 0.00 0.00 0.00 175.10 176.42 3h20 s LEU 75 N 1.22 4.42 -0.17 3.92 2.96 -1.26 -0.53 118.68 129.24 3h20 s LEU 75 Ca -0.02 1.68 0.01 0.00 -0.22 0.00 0.00 54.13 55.58 3h20 s LEU 75 Cb -0.14 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.03 3h20 s LEU 75 CO -0.05 -0.16 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.95 3h20 s VAL 76 N 0.55 1.91 0.13 1.68 1.01 0.69 -4.83 120.40 121.53 3h20 s VAL 76 Ca 0.49 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.67 3h20 s VAL 76 Cb -0.22 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 3h20 s VAL 76 CO 0.28 0.50 -0.01 -0.62 0.00 0.00 0.00 175.10 175.26 3h20 s ASP 77 N 1.35 4.88 -0.84 3.32 2.15 -1.26 -1.02 116.67 125.25 3h20 s ASP 77 Ca 0.05 -0.28 -0.00 0.00 0.43 0.00 0.00 52.55 52.75 3h20 s ASP 77 Cb -0.13 -1.10 -0.00 0.00 -0.30 0.00 0.00 42.92 41.39 3h20 s ASP 77 CO -0.12 0.14 0.70 -0.67 -0.17 0.00 0.00 175.17 175.05 3h20 n ASP 78 N 0.29 -2.15 -4.84 -0.34 2.03 -1.06 -2.65 116.55 107.83 3h20 n ASP 78 Ca -0.11 -0.44 -0.32 0.00 0.52 0.00 0.00 54.79 54.44 3h20 n ASP 78 Cb 0.53 -3.75 -0.06 0.00 -0.72 0.00 0.00 41.12 37.12 3h20 n ASP 78 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3h20 s LEU 79 N -5.04 4.10 0.54 -2.67 1.43 -0.21 -4.64 118.68 112.18 3h20 s LEU 79 Ca 0.01 0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.32 3h20 s LEU 79 Cb -0.00 -2.51 0.03 0.00 0.03 0.00 0.00 46.19 43.73 3h20 s LEU 79 CO 0.51 0.24 0.77 -0.94 0.23 0.00 0.00 176.35 177.16 3h20 s SER 80 N -2.01 5.37 0.38 2.29 1.04 -1.26 -1.00 113.70 118.52 3h20 s SER 80 Ca 0.27 0.08 0.05 0.00 0.48 0.00 0.00 55.95 56.83 3h20 s SER 80 Cb -0.12 -1.03 0.74 0.00 0.10 0.00 0.00 66.02 65.70 3h20 s SER 80 CO 0.19 -1.07 2.02 1.05 0.98 0.00 0.00 173.24 176.40 3h20 h GLU 81 N 0.10 0.66 -0.40 4.02 4.11 -2.00 -2.61 114.58 118.46 3h20 h GLU 81 Ca -0.43 -0.05 -0.13 0.00 0.07 0.00 0.00 59.36 58.82 3h20 h GLU 81 Cb 1.29 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 3h20 h GLU 81 CO 0.54 0.46 -0.27 0.74 0.07 0.00 0.00 179.01 180.55 3h20 h PHE 82 N 0.68 0.97 -0.85 2.06 0.04 -1.97 -2.33 116.94 115.54 3h20 h PHE 82 Ca 0.18 -0.24 0.04 0.00 2.80 0.00 0.00 57.97 60.75 3h20 h PHE 82 Cb -0.04 -0.22 -0.05 0.00 2.20 0.00 0.00 35.95 37.84 3h20 h PHE 82 CO 0.00 1.01 0.54 -0.44 -0.60 0.00 0.00 178.31 178.82 3h20 h ASP 83 N 0.72 0.88 -0.62 2.17 3.32 -1.86 -2.22 116.42 118.79 3h20 h ASP 83 Ca 0.09 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 3h20 h ASP 83 Cb 0.82 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 3h20 h ASP 83 CO 0.07 0.59 0.12 -0.07 -1.72 0.00 0.00 179.24 178.23 3h20 h LEU 84 N 1.02 0.99 -0.46 1.55 3.38 -1.21 -1.08 115.31 119.51 3h20 h LEU 84 Ca 0.35 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 58.15 3h20 h LEU 84 Cb 0.06 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 3h20 h LEU 84 CO -0.13 0.98 0.19 0.44 0.09 0.00 0.00 178.44 180.01 3h20 h ASP 85 N 0.98 0.24 -0.28 -0.43 3.32 -1.15 -1.74 116.42 117.37 3h20 h ASP 85 Ca 0.20 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.28 3h20 h ASP 85 Cb 0.40 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3h20 h ASP 85 CO 0.01 0.17 0.11 0.44 -1.72 0.00 0.00 179.24 178.25 3h20 h ASP 86 N 0.38 0.38 -0.24 6.45 3.32 -1.15 -2.53 116.42 123.03 3h20 h ASP 86 Ca 0.21 -0.16 0.06 0.00 0.02 0.00 0.00 57.03 57.16 3h20 h ASP 86 Cb 0.18 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.57 3h20 h ASP 86 CO -0.19 0.43 -0.13 0.24 -1.72 0.00 0.00 179.24 177.88 3h20 h MET 87 N 0.30 -0.09 -0.73 3.56 2.86 -0.97 -2.14 114.93 117.71 3h20 h MET 87 Ca 0.09 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.76 3h20 h MET 87 Cb 0.17 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 3h20 h MET 87 CO -0.01 -0.06 0.47 0.87 1.06 0.00 0.00 176.91 179.24 3h20 h LYS 88 N -0.10 0.92 0.00 1.72 1.57 -1.32 0.15 116.57 119.50 3h20 h LYS 88 Ca 0.13 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3h20 h LYS 88 Cb 0.30 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3h20 h LYS 88 CO -0.31 0.61 0.00 0.00 -0.57 0.00 0.00 179.45 179.18 3h20 n ALA 89 N -2.31 1.97 -0.20 3.86 0.00 -0.96 -2.64 120.51 120.24 3h20 n ALA 89 Ca 0.07 -0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.49 3h20 n ALA 89 Cb 0.05 -1.34 0.13 0.00 0.00 0.00 0.00 19.45 18.30 3h20 n ALA 89 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3h20 n GLU 90 N -1.47 2.88 -1.05 0.00 1.02 -0.84 -4.98 120.64 116.20 3h20 n GLU 90 Ca 0.06 -2.01 -0.02 0.00 -0.02 0.00 0.00 57.16 55.17 3h20 n GLU 90 Cb 0.23 -1.26 -0.01 0.00 -0.02 0.00 0.00 31.44 30.39 3h20 n GLU 90 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h20 n GLY 91 N 0.27 0.53 2.75 0.62 0.00 -1.08 -4.78 105.19 103.51 3h20 n GLY 91 Ca 0.10 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 3h20 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h20 n ARG 92 N -2.73 2.85 -1.84 1.61 3.00 0.48 -0.62 116.66 119.41 3h20 n ARG 92 Ca -0.02 -3.62 -0.42 0.00 -0.01 0.00 0.00 57.85 53.78 3h20 n ARG 92 Cb 0.08 -2.27 -0.03 0.00 0.00 0.00 0.00 32.46 30.24 3h20 n ARG 92 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 3h20 s GLU 93 N -3.96 4.17 0.36 5.56 8.01 -1.25 -4.26 118.70 127.33 3h20 s GLU 93 Ca 0.54 2.47 -0.28 0.00 0.01 0.00 0.00 54.97 57.71 3h20 s GLU 93 Cb 0.45 -3.13 -0.10 0.00 -4.31 0.00 0.00 34.13 27.04 3h20 s GLU 93 CO -0.31 -0.67 1.35 -2.14 0.01 0.00 0.00 175.26 173.49 3h20 s PRO 94 N 1.18 4.20 0.24 0.39 0.02 -1.26 -4.34 135.00 135.43 3h20 s PRO 94 Ca 0.72 2.29 0.12 0.00 0.02 0.00 0.00 61.00 64.15 3h20 s PRO 94 Cb -0.46 -2.97 0.14 0.00 0.02 0.00 0.00 34.50 31.23 3h20 s PRO 94 CO 0.32 -0.35 1.47 0.00 -0.33 0.00 0.00 177.00 178.11 3h20 h ALA 95 N 3.11 0.68 -2.56 -1.55 0.00 -0.39 -3.43 119.26 115.11 3h20 h ALA 95 Ca -0.50 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 53.76 3h20 h ALA 95 Cb 1.23 -0.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.76 3h20 h ALA 95 CO 0.64 0.84 0.11 -0.48 0.00 0.00 0.00 179.25 180.37 3h20 s LEU 96 N -6.87 -0.31 -0.06 0.00 2.34 -1.13 -1.02 118.68 111.63 3h20 s LEU 96 Ca 0.01 0.21 0.04 0.00 0.06 0.00 0.00 54.13 54.45 3h20 s LEU 96 Cb 0.10 2.33 0.00 0.00 -0.56 0.00 0.00 46.19 48.06 3h20 s LEU 96 CO 0.76 -0.78 -0.17 -0.69 -1.06 0.00 0.00 176.35 174.42 3h20 s VAL 97 N -2.64 1.42 -0.11 1.48 1.01 -0.29 -1.91 120.40 119.38 3h20 s VAL 97 Ca -0.04 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.28 3h20 s VAL 97 Cb -0.00 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.14 3h20 s VAL 97 CO -0.03 0.41 -0.22 -0.69 0.00 0.00 0.00 175.10 174.58 3h20 s VAL 98 N 0.25 1.93 -0.38 2.92 1.01 -0.05 -0.67 120.40 125.41 3h20 s VAL 98 Ca -0.09 -0.93 -0.21 0.00 0.00 0.00 0.00 61.98 60.76 3h20 s VAL 98 Cb -0.13 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.57 3h20 s VAL 98 CO 0.03 0.53 0.67 -0.70 0.00 0.00 0.00 175.10 175.64 3h20 s GLU 99 N 0.56 3.61 -0.01 2.72 2.12 0.27 -0.18 118.70 127.79 3h20 s GLU 99 Ca -0.14 0.03 0.07 0.00 0.36 0.00 0.00 54.97 55.28 3h20 s GLU 99 Cb -0.17 -3.84 -0.24 0.00 0.26 0.00 0.00 34.13 30.15 3h20 s GLU 99 CO 0.05 -0.82 0.81 1.79 -0.54 0.00 0.00 175.26 176.54 3h20 h THR 100 N 5.74 1.07 -3.36 -1.70 1.35 -1.40 -1.22 112.91 113.39 3h20 h THR 100 Ca -0.26 -2.84 -0.02 0.00 -0.55 0.00 0.00 66.41 62.74 3h20 h THR 100 Cb 1.10 2.58 -0.10 0.00 -1.73 0.00 0.00 68.15 70.01 3h20 h THR 100 CO 0.87 0.69 0.00 -0.94 -0.25 0.00 0.00 175.52 175.89 3h20 s SER 101 N -6.48 -0.22 -0.07 5.36 1.04 -1.22 -4.58 113.70 107.53 3h20 s SER 101 Ca -0.06 -0.56 -0.37 0.00 0.48 0.00 0.00 55.95 55.44 3h20 s SER 101 Cb 0.08 0.58 -0.15 0.00 0.10 0.00 0.00 66.02 66.63 3h20 s SER 101 CO 0.82 -1.07 1.63 -2.65 0.98 0.00 0.00 173.24 172.95 3h20 n PRO 102 N -0.34 1.48 -0.95 4.02 -0.02 -1.26 -0.99 135.00 136.93 3h20 n PRO 102 Ca -0.09 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3h20 n PRO 102 Cb 0.62 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3h20 n PRO 102 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3h20 n LYS 103 N 4.49 -0.64 -4.59 -0.52 4.76 -1.26 -5.00 118.16 115.41 3h20 n LYS 103 Ca 0.22 0.16 -0.33 0.00 -2.87 0.00 0.00 58.31 55.49 3h20 n LYS 103 Cb 0.20 -3.71 -0.16 0.00 -1.84 0.00 0.00 35.03 29.51 3h20 n LYS 103 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3h20 s ASN 104 N -2.14 3.13 0.14 4.39 0.01 -0.16 -4.49 114.94 115.81 3h20 s ASN 104 Ca 0.00 -0.61 0.07 0.00 -0.71 0.00 0.00 52.86 51.61 3h20 s ASN 104 Cb 0.00 -1.45 -0.04 0.00 0.41 0.00 0.00 41.25 40.17 3h20 s ASN 104 CO 0.00 0.07 -0.16 -0.31 -1.51 0.00 0.00 177.10 175.19 3h20 s TYR 105 N 0.88 1.59 0.03 2.20 2.02 -0.17 -1.07 117.35 122.84 3h20 s TYR 105 Ca -0.05 -0.51 0.08 0.00 -0.37 0.00 0.00 57.07 56.22 3h20 s TYR 105 Cb -0.15 -0.82 -0.03 0.00 -0.40 0.00 0.00 41.96 40.56 3h20 s TYR 105 CO -0.03 0.22 -0.22 -0.65 -1.57 0.00 0.00 175.55 173.29 3h20 s GLN 106 N -2.63 1.98 0.00 -0.62 -0.21 0.74 -1.05 119.66 117.88 3h20 s GLN 106 Ca 0.11 -1.02 0.06 0.00 0.02 0.00 0.00 55.36 54.54 3h20 s GLN 106 Cb -0.06 -2.10 -0.02 0.00 1.00 0.00 0.00 33.01 31.84 3h20 s GLN 106 CO 0.04 0.53 -0.19 0.00 -2.12 0.00 0.00 175.29 173.56 3h20 s ALA 107 N -0.83 1.59 -0.22 6.09 0.00 -0.19 -0.87 121.76 127.33 3h20 s ALA 107 Ca 0.13 -0.88 -0.08 0.00 0.00 0.00 0.00 51.96 51.13 3h20 s ALA 107 Cb -0.10 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 3h20 s ALA 107 CO 0.03 0.38 0.07 -1.58 0.00 0.00 0.00 175.76 174.66 3h20 s TRP 108 N -0.56 3.15 -0.20 0.00 0.52 -0.80 -0.22 118.94 120.82 3h20 s TRP 108 Ca 0.07 -0.18 -0.06 0.00 0.02 0.00 0.00 56.10 55.95 3h20 s TRP 108 Cb -0.08 -2.18 -0.03 0.00 -1.15 0.00 0.00 33.47 30.03 3h20 s TRP 108 CO 0.00 -0.14 0.03 0.08 0.02 0.00 0.00 176.95 176.94 3h20 s VAL 109 N 1.12 4.22 -0.36 4.03 1.01 0.31 0.27 120.40 131.01 3h20 s VAL 109 Ca 0.05 -0.22 -0.20 0.00 0.00 0.00 0.00 61.98 61.60 3h20 s VAL 109 Cb -0.14 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.33 3h20 s VAL 109 CO 0.03 0.42 0.62 -0.75 0.00 0.00 0.00 175.10 175.43 3h20 s LYS 110 N 0.91 3.65 0.03 2.72 2.20 -1.26 -0.36 119.74 127.63 3h20 s LYS 110 Ca 0.02 0.00 0.22 0.00 -0.36 0.00 0.00 55.97 55.86 3h20 s LYS 110 Cb -0.14 -3.82 -0.22 0.00 -1.51 0.00 0.00 37.83 32.14 3h20 s LYS 110 CO 0.02 -0.74 0.68 1.33 -0.36 0.00 0.00 175.35 176.28 3h20 n VAL 111 N 5.58 0.16 -3.67 4.02 0.24 0.02 -0.83 118.33 123.85 3h20 n VAL 111 Ca -0.02 -0.46 -0.05 0.00 -2.04 0.00 0.00 64.34 61.77 3h20 n VAL 111 Cb 0.49 -0.01 -0.02 0.00 -1.47 0.00 0.00 33.84 32.83 3h20 n VAL 111 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h20 s ALA 112 N -3.43 -1.71 0.26 2.33 0.00 -1.25 -3.51 121.76 114.44 3h20 s ALA 112 Ca -0.04 0.41 0.03 0.00 0.00 0.00 0.00 51.96 52.36 3h20 s ALA 112 Cb 0.13 0.58 0.34 0.00 0.00 0.00 0.00 23.12 24.16 3h20 s ALA 112 CO 0.87 -0.93 1.64 -0.44 0.00 0.00 0.00 175.76 176.90 3h20 h ASP 113 N 2.00 0.37 -3.40 0.00 3.32 -1.92 -3.17 116.42 113.62 3h20 h ASP 113 Ca -0.24 -0.17 -0.13 0.00 0.02 0.00 0.00 57.03 56.51 3h20 h ASP 113 Cb 1.24 -0.10 -0.26 0.00 0.22 0.00 0.00 39.33 40.42 3h20 h ASP 113 CO 0.27 0.77 -0.32 0.00 -1.72 0.00 0.00 179.24 178.25 3h20 s ALA 114 N -4.11 -0.95 -0.07 3.45 0.00 -1.26 -3.74 121.76 115.07 3h20 s ALA 114 Ca -0.05 1.34 -0.05 0.00 0.00 0.00 0.00 51.96 53.20 3h20 s ALA 114 Cb 0.13 -0.81 0.03 0.00 0.00 0.00 0.00 23.12 22.46 3h20 s ALA 114 CO 0.79 -0.23 0.18 0.00 0.00 0.00 0.00 175.76 176.50 3h20 s ALA 115 N 1.08 -0.41 1.03 0.00 0.00 -0.26 -4.83 121.76 118.37 3h20 s ALA 115 Ca -0.07 0.60 -0.12 0.00 0.00 0.00 0.00 51.96 52.37 3h20 s ALA 115 Cb -0.07 -0.37 0.20 0.00 0.00 0.00 0.00 23.12 22.88 3h20 s ALA 115 CO -0.09 -0.12 1.07 0.20 0.00 0.00 0.00 175.76 176.83 3h20 s GLY 116 N 0.51 1.59 0.26 0.00 0.00 -1.26 -4.61 107.32 103.81 3h20 s GLY 116 Ca -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 44.72 44.63 3h20 s GLY 116 CO -0.02 0.55 1.82 -1.33 0.00 0.00 0.00 173.10 174.12 3h20 h GLY 117 N -2.10 1.47 0.24 0.20 0.00 -1.97 -2.05 103.07 98.87 3h20 h GLY 117 Ca -0.54 -0.37 0.04 0.00 0.00 0.00 0.00 47.33 46.46 3h20 h GLY 117 CO 0.51 0.15 -0.31 -2.09 0.00 0.00 0.00 176.54 174.80 3h20 h GLU 118 N 0.90 -0.41 -0.45 4.80 4.81 -2.00 -0.80 114.58 121.42 3h20 h GLU 118 Ca 0.45 0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.58 3h20 h GLU 118 Cb 0.43 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3h20 h GLU 118 CO -0.26 -0.27 -0.21 -0.07 -0.73 0.00 0.00 179.01 177.47 3h20 h LEU 119 N -0.42 0.97 -0.78 1.64 3.38 -1.83 -2.84 115.31 115.43 3h20 h LEU 119 Ca 0.08 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 3h20 h LEU 119 Cb 0.54 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3h20 h LEU 119 CO -0.31 1.16 0.30 0.03 0.09 0.00 0.00 178.44 179.71 3h20 h ARG 120 N 0.79 1.18 -0.55 1.13 3.08 -1.18 -0.76 114.38 118.07 3h20 h ARG 120 Ca 0.10 -0.22 -0.10 0.00 0.07 0.00 0.00 59.98 59.83 3h20 h ARG 120 Cb 0.79 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 3h20 h ARG 120 CO 0.06 0.96 -0.04 0.78 -1.07 0.00 0.00 179.97 180.67 3h20 h GLY 121 N 1.14 1.07 0.97 0.04 0.00 -1.14 0.11 103.07 105.26 3h20 h GLY 121 Ca 0.26 -0.82 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 3h20 h GLY 121 CO -0.02 0.75 0.23 -1.61 0.00 0.00 0.00 176.54 175.90 3h20 h GLN 122 N 0.87 0.72 -0.51 4.80 5.75 -1.28 -2.17 115.11 123.30 3h20 h GLN 122 Ca 0.15 -0.11 -0.11 0.00 -0.15 0.00 0.00 58.65 58.43 3h20 h GLN 122 Cb 0.59 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.00 3h20 h GLN 122 CO 0.04 0.61 -0.11 0.82 -2.65 0.00 0.00 178.83 177.54 3h20 h ILE 123 N 0.66 1.27 -0.57 2.39 2.04 -0.92 -1.33 117.51 121.05 3h20 h ILE 123 Ca 0.17 -1.25 0.08 0.00 1.00 0.00 0.00 64.86 64.86 3h20 h ILE 123 Cb 0.13 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 3h20 h ILE 123 CO -0.02 0.44 0.23 0.00 0.00 0.00 0.00 178.15 178.80 3h20 h ALA 124 N 0.91 0.72 -0.61 1.87 0.00 -0.64 0.15 119.26 121.66 3h20 h ALA 124 Ca 0.13 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3h20 h ALA 124 Cb 0.67 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3h20 h ALA 124 CO 0.05 -0.16 0.05 0.00 0.00 0.00 0.00 179.25 179.18 3h20 h ARG 125 N 0.43 1.03 -0.28 0.00 3.08 -1.25 -1.63 114.38 115.76 3h20 h ARG 125 Ca 0.27 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3h20 h ARG 125 Cb 0.29 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3h20 h ARG 125 CO -0.25 0.98 0.08 1.15 -1.07 0.00 0.00 179.97 180.86 3h20 h THR 126 N 0.96 1.20 -0.33 2.04 2.02 -0.44 -1.29 112.91 117.06 3h20 h THR 126 Ca 0.18 -0.66 -0.13 0.00 0.77 0.00 0.00 66.41 66.58 3h20 h THR 126 Cb 0.49 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 3h20 h THR 126 CO 0.02 0.22 -0.32 -0.07 0.37 0.00 0.00 175.52 175.74 3h20 h LEU 127 N 0.29 0.74 -0.84 2.58 3.38 -0.71 0.20 115.31 120.95 3h20 h LEU 127 Ca 0.09 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 3h20 h LEU 127 Cb 0.25 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3h20 h LEU 127 CO -0.00 1.01 0.33 0.00 0.09 0.00 0.00 178.44 179.86 3h20 h ALA 128 N 1.04 1.08 -0.21 1.53 0.00 -1.19 -2.10 119.26 119.41 3h20 h ALA 128 Ca 0.07 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3h20 h ALA 128 Cb 0.83 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3h20 h ALA 128 CO 0.07 0.66 -0.07 1.03 0.00 0.00 0.00 179.25 180.94 3h20 h SER 129 N 1.15 0.41 -0.90 0.00 0.87 -0.92 0.16 113.55 114.32 3h20 h SER 129 Ca 0.27 -0.38 0.11 0.00 -1.23 0.00 0.00 61.79 60.56 3h20 h SER 129 Cb 0.20 -0.11 -0.08 0.00 -0.44 0.00 0.00 62.40 61.96 3h20 h SER 129 CO -0.02 0.70 0.53 -0.33 -0.53 0.00 0.00 176.83 177.18 3h20 h GLU 130 N 0.12 0.81 -0.24 2.24 5.08 -0.36 -2.93 114.58 119.31 3h20 h GLU 130 Ca 0.05 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h20 h GLU 130 Cb 0.53 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3h20 h GLU 130 CO 0.02 0.54 0.00 0.66 -1.00 0.00 0.00 179.01 179.23 3h20 n TYR 131 N -4.72 0.69 -4.14 4.33 4.01 -0.81 -4.98 117.16 111.54 3h20 n TYR 131 Ca 0.16 -0.79 -0.30 0.00 -0.16 0.00 0.00 57.90 56.81 3h20 n TYR 131 Cb 0.34 -0.22 -0.05 0.00 -0.31 0.00 0.00 39.34 39.10 3h20 n TYR 131 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3h20 n ASP 132 N -0.40 -0.46 -2.73 7.72 2.03 -0.58 -4.97 116.55 117.15 3h20 n ASP 132 Ca 0.18 -1.11 -0.08 0.00 0.52 0.00 0.00 54.79 54.30 3h20 n ASP 132 Cb 0.74 -2.47 0.05 0.00 -0.72 0.00 0.00 41.12 38.71 3h20 n ASP 132 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h20 n ALA 133 N -4.44 -0.11 -2.30 -1.67 0.00 0.46 -5.00 120.51 107.45 3h20 n ALA 133 Ca -0.23 -0.59 -0.43 0.00 0.00 0.00 0.00 53.44 52.19 3h20 n ALA 133 Cb 0.65 0.06 -0.02 0.00 0.00 0.00 0.00 19.45 20.13 3h20 n ALA 133 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3h20 s ASP 134 N -2.35 6.37 0.42 0.00 -1.08 -1.08 -4.83 116.67 114.11 3h20 s ASP 134 Ca 0.22 1.07 0.20 0.00 -0.52 0.00 0.00 52.55 53.52 3h20 s ASP 134 Cb -0.01 -2.54 0.91 0.00 -1.46 0.00 0.00 42.92 39.82 3h20 s ASP 134 CO 0.15 -1.36 1.85 1.55 0.52 0.00 0.00 175.17 177.88 3h20 h PRO 135 N 10.62 0.00 0.00 4.34 0.13 -1.93 -2.69 132.00 142.47 3h20 h PRO 135 Ca -0.29 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 3h20 h PRO 135 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 3h20 h PRO 135 CO 1.06 0.30 -0.04 0.00 -0.23 0.00 0.00 178.00 179.08 3h20 h ALA 136 N 1.70 1.03 -0.00 -0.56 0.00 -2.01 -2.08 119.26 117.35 3h20 h ALA 136 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3h20 h ALA 136 Cb 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3h20 h ALA 136 CO 0.04 0.05 -0.30 0.43 0.00 0.00 0.00 179.25 179.47 3h20 n SER 137 N -3.19 0.70 -4.46 0.00 7.64 -1.01 -4.78 113.62 108.51 3h20 n SER 137 Ca -0.00 -0.54 -0.44 0.00 1.01 0.00 0.00 58.87 58.90 3h20 n SER 137 Cb 0.27 0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.55 3h20 n SER 137 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h20 s ALA 138 N -2.69 3.30 0.20 -0.43 0.00 -0.78 -4.74 121.76 116.62 3h20 s ALA 138 Ca 0.20 -2.68 -0.21 0.00 0.00 0.00 0.00 51.96 49.27 3h20 s ALA 138 Cb 0.19 -4.08 0.05 0.00 0.00 0.00 0.00 23.12 19.28 3h20 s ALA 138 CO 0.57 -3.02 0.61 0.16 0.00 0.00 0.00 175.76 174.08 3h20 s ASP 139 N 3.75 -0.41 0.00 0.00 1.47 -1.26 -4.58 116.67 115.64 3h20 s ASP 139 Ca 0.33 -0.28 0.15 0.00 1.18 0.00 0.00 52.55 53.94 3h20 s ASP 139 Cb -0.05 0.63 0.66 0.00 -0.34 0.00 0.00 42.92 43.82 3h20 s ASP 139 CO -0.09 -1.09 1.50 -1.54 0.68 0.00 0.00 175.17 174.63 3h20 n SER 140 N -0.39 0.00 -0.57 2.11 3.41 -1.26 -3.11 113.62 113.80 3h20 n SER 140 Ca -0.12 0.49 0.06 0.00 -0.26 0.00 0.00 58.87 59.05 3h20 n SER 140 Cb 0.63 -0.50 0.13 0.00 -0.26 0.00 0.00 64.21 64.21 3h20 n SER 140 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3h20 n ARG 141 N -1.50 1.03 -2.91 4.33 5.12 -1.26 -4.96 116.66 116.52 3h20 n ARG 141 Ca 0.04 -2.58 -0.39 0.00 -1.93 0.00 0.00 57.85 52.99 3h20 n ARG 141 Cb 0.18 -1.18 -0.06 0.00 -1.16 0.00 0.00 32.46 30.24 3h20 n ARG 141 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3h20 s HIS 142 N -2.19 3.89 0.15 -1.55 2.46 -1.18 -5.02 115.29 111.84 3h20 s HIS 142 Ca 0.31 1.70 -0.30 0.00 0.47 0.00 0.00 55.06 57.24 3h20 s HIS 142 Cb 0.30 -2.83 -0.07 0.00 -0.13 0.00 0.00 32.58 29.85 3h20 s HIS 142 CO -0.05 0.46 1.05 0.71 -2.47 0.00 0.00 174.74 174.44 3h20 s TYR 143 N -1.24 3.68 0.54 3.88 2.02 -1.26 -4.81 117.35 120.16 3h20 s TYR 143 Ca 0.39 1.67 0.08 0.00 -0.37 0.00 0.00 57.07 58.85 3h20 s TYR 143 Cb -0.23 -3.19 0.06 0.00 -0.40 0.00 0.00 41.96 38.20 3h20 s TYR 143 CO 0.27 -0.30 0.65 0.20 -1.57 0.00 0.00 175.55 174.80 3h20 s GLY 144 N -0.03 1.93 0.21 0.71 0.00 -0.36 -4.91 107.32 104.87 3h20 s GLY 144 Ca 0.49 -1.87 -0.22 0.00 0.00 0.00 0.00 44.72 43.11 3h20 s GLY 144 CO 0.33 -1.73 0.75 0.50 0.00 0.00 0.00 173.10 172.95 3h20 s ARG 145 N -4.51 4.39 -0.15 2.90 1.81 -1.26 -0.04 118.95 122.09 3h20 s ARG 145 Ca 0.54 1.00 -0.18 0.00 -1.72 0.00 0.00 55.73 55.37 3h20 s ARG 145 Cb -0.05 -3.02 -0.04 0.00 -0.45 0.00 0.00 34.95 31.39 3h20 s ARG 145 CO 0.33 0.46 0.47 -1.17 -0.68 0.00 0.00 175.30 174.71 3h20 s LEU 146 N -1.66 4.22 0.63 2.53 2.96 -0.93 -4.70 118.68 121.73 3h20 s LEU 146 Ca 0.40 0.72 -0.17 0.00 -0.22 0.00 0.00 54.13 54.87 3h20 s LEU 146 Cb -0.19 -2.66 -0.01 0.00 0.50 0.00 0.00 46.19 43.82 3h20 s LEU 146 CO 0.23 -0.06 1.17 0.00 -1.32 0.00 0.00 176.35 176.37 3h20 s ALA 147 N 1.00 2.45 0.00 5.97 0.00 -1.26 -4.11 121.76 125.81 3h20 s ALA 147 Ca 0.24 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.02 3h20 s ALA 147 Cb -0.15 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.57 3h20 s ALA 147 CO 0.09 -1.29 0.00 0.41 0.00 0.00 0.00 175.76 174.98 3h20 n GLY 148 N 0.13 0.90 3.22 0.00 0.00 -0.55 -4.32 105.19 104.58 3h20 n GLY 148 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 3h20 n GLY 148 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h20 s PHE 149 N -2.00 1.24 0.31 1.61 0.08 -1.26 -4.69 117.98 113.27 3h20 s PHE 149 Ca 0.00 -0.66 -0.27 0.00 0.12 0.00 0.00 56.93 56.12 3h20 s PHE 149 Cb 0.00 -0.65 -0.10 0.00 -0.57 0.00 0.00 43.02 41.71 3h20 s PHE 149 CO 0.00 0.07 0.97 0.95 -0.10 0.00 0.00 175.22 177.12 3h20 s THR 150 N -2.68 4.03 -0.49 0.64 -4.23 -1.26 -0.61 115.64 111.04 3h20 s THR 150 Ca 0.11 1.79 -0.28 0.00 -1.18 0.00 0.00 61.69 62.12 3h20 s THR 150 Cb -0.01 -4.04 0.03 0.00 1.34 0.00 0.00 72.50 69.82 3h20 s THR 150 CO 0.01 0.23 1.09 0.21 -0.54 0.00 0.00 174.62 175.63 3h20 s ASN 151 N -1.43 6.57 0.00 3.99 3.84 0.25 -4.78 114.94 123.38 3h20 s ASN 151 Ca 0.48 0.31 0.24 0.00 0.21 0.00 0.00 52.86 54.10 3h20 s ASN 151 Cb -0.22 -2.52 0.24 0.00 -0.55 0.00 0.00 41.25 38.19 3h20 s ASN 151 CO 0.28 -1.24 1.23 0.54 -2.79 0.00 0.00 177.10 175.11 3h20 n ARG 152 N 7.78 0.05 0.19 0.43 5.12 -1.26 -4.31 116.66 124.66 3h20 n ARG 152 Ca 0.10 -0.04 0.06 0.00 -1.93 0.00 0.00 57.85 56.04 3h20 n ARG 152 Cb 0.49 -1.50 0.34 0.00 -1.16 0.00 0.00 32.46 30.63 3h20 n ARG 152 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 3h20 h LYS 153 N 0.09 0.00 0.00 5.56 3.64 -1.92 -3.47 116.57 120.48 3h20 h LYS 153 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3h20 h LYS 153 Cb 0.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3h20 h LYS 153 CO 0.00 0.35 0.00 1.63 -2.27 0.00 0.00 179.45 179.16 3h20 n LYS 155 N -3.51 0.00 -3.87 1.90 4.01 -1.26 -5.11 118.16 110.32 3h20 n LYS 155 Ca -0.00 0.00 -0.22 0.00 -0.51 0.00 0.00 58.31 57.58 3h20 n LYS 155 Cb 0.50 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 34.97 3h20 n LYS 155 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 3h20 s HIS 156 N -0.10 2.74 -0.22 2.13 4.02 -0.97 -5.03 115.29 117.86 3h20 s HIS 156 Ca 0.00 -0.43 -0.29 0.00 1.02 0.00 0.00 55.06 55.36 3h20 s HIS 156 Cb 0.00 -1.89 -0.01 0.00 -1.02 0.00 0.00 32.58 29.66 3h20 s HIS 156 CO 0.00 0.14 1.31 0.99 1.02 0.00 0.00 174.74 178.20 3h20 s THR 157 N -2.44 4.17 -0.52 1.30 2.01 -1.26 -4.79 115.64 114.11 3h20 s THR 157 Ca 0.42 1.38 -0.14 0.00 0.31 0.00 0.00 61.69 63.66 3h20 s THR 157 Cb -0.02 -4.03 0.02 0.00 0.01 0.00 0.00 72.50 68.47 3h20 s THR 157 CO 0.25 -0.28 0.63 0.35 -0.69 0.00 0.00 174.62 174.88 3h20 n THR 158 N 5.78 -9.96 0.00 -0.82 -2.24 -1.26 -5.12 114.28 100.65 3h20 n THR 158 Ca 0.15 0.51 0.00 0.00 -2.27 0.00 0.00 64.05 62.43 3h20 n THR 158 Cb 0.45 -6.72 0.00 0.00 -2.10 0.00 0.00 70.33 61.96 3h20 n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h20 n TYR 162 N -0.74 0.00 -2.59 4.78 0.18 -1.26 -5.22 117.16 112.31 3h20 n TYR 162 Ca 0.05 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.41 3h20 n TYR 162 Cb 0.50 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.43 3h20 n TYR 162 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 3h20 s GLN 163 N -0.44 4.50 0.53 -3.48 2.00 -1.26 -2.28 119.66 119.23 3h20 s GLN 163 Ca 0.00 1.56 -0.19 0.00 -2.00 0.00 0.00 55.36 54.73 3h20 s GLN 163 Cb 0.00 -3.42 -0.06 0.00 0.80 0.00 0.00 33.01 30.33 3h20 s GLN 163 CO 0.00 -0.14 1.09 -1.25 -0.50 0.00 0.00 175.29 174.48 3h20 s PRO 164 N 1.07 3.51 0.05 1.67 0.04 -1.26 -4.79 135.00 135.28 3h20 s PRO 164 Ca 0.55 1.47 -0.18 0.00 0.04 0.00 0.00 61.00 62.88 3h20 s PRO 164 Cb -0.24 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.19 3h20 s PRO 164 CO 0.28 -0.69 0.52 -1.58 0.04 0.00 0.00 177.00 175.57 3h20 s TRP 165 N -1.93 3.78 -0.27 0.56 0.52 -1.26 -0.58 118.94 119.77 3h20 s TRP 165 Ca 0.70 1.19 -0.26 0.00 0.02 0.00 0.00 56.10 57.74 3h20 s TRP 165 Cb -0.20 -2.44 0.00 0.00 -1.15 0.00 0.00 33.47 29.69 3h20 s TRP 165 CO 0.25 0.60 0.91 0.08 0.02 0.00 0.00 176.95 178.82 3h20 s VAL 166 N -1.09 4.73 -0.05 4.03 1.01 0.22 -4.72 120.40 124.54 3h20 s VAL 166 Ca 0.27 1.62 0.04 0.00 0.00 0.00 0.00 61.98 63.92 3h20 s VAL 166 Cb -0.19 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 3h20 s VAL 166 CO 0.17 -0.21 -0.16 -0.76 0.00 0.00 0.00 175.10 174.14 3h20 s LEU 167 N 3.09 2.61 -0.42 3.92 1.43 -0.46 -1.48 118.68 127.37 3h20 s LEU 167 Ca 0.38 -0.25 -0.26 0.00 -1.03 0.00 0.00 54.13 52.97 3h20 s LEU 167 Cb -0.14 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.58 3h20 s LEU 167 CO 0.10 0.33 0.95 -0.22 0.23 0.00 0.00 176.35 177.74 3h20 s LEU 168 N -0.63 3.96 -0.11 1.79 2.96 -1.26 -0.56 118.68 124.81 3h20 s LEU 168 Ca 0.09 0.36 0.05 0.00 -0.22 0.00 0.00 54.13 54.42 3h20 s LEU 168 Cb -0.11 -3.27 -0.24 0.00 0.50 0.00 0.00 46.19 43.07 3h20 s LEU 168 CO 0.01 -0.99 0.38 0.54 -1.32 0.00 0.00 176.35 174.97 3h20 n ARG 169 N 7.08 0.69 -3.65 1.98 5.12 0.15 -4.97 116.66 123.06 3h20 n ARG 169 Ca 0.07 0.23 -0.11 0.00 -1.93 0.00 0.00 57.85 56.11 3h20 n ARG 169 Cb 0.48 -1.70 -0.05 0.00 -1.16 0.00 0.00 32.46 30.03 3h20 n ARG 169 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 3h20 s GLU 170 N -2.56 1.02 -0.39 5.56 -1.05 -1.16 -4.96 118.70 115.15 3h20 s GLU 170 Ca -0.15 -0.60 0.09 0.00 -0.15 0.00 0.00 54.97 54.17 3h20 s GLU 170 Cb 0.07 0.45 0.39 0.00 -0.44 0.00 0.00 34.13 34.60 3h20 s GLU 170 CO 0.78 -0.38 1.38 -1.13 0.95 0.00 0.00 175.26 176.86 3h20 n SER 171 N 0.02 -1.85 -0.13 0.83 3.41 -1.26 -1.13 113.62 113.51 3h20 n SER 171 Ca -0.17 -2.44 -0.05 0.00 -0.26 0.00 0.00 58.87 55.96 3h20 n SER 171 Cb 0.62 0.98 0.15 0.00 -0.26 0.00 0.00 64.21 65.70 3h20 n SER 171 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3h20 h LYS 172 N 1.90 0.84 0.00 4.33 1.57 -1.80 -3.44 116.57 119.97 3h20 h LYS 172 Ca -0.30 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3h20 h LYS 172 Cb 1.30 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3h20 h LYS 172 CO -0.08 0.82 0.00 0.41 -0.57 0.00 0.00 179.45 180.03 3h20 n GLY 173 N -0.65 0.72 3.87 3.86 0.00 -0.19 -5.02 105.19 107.78 3h20 n GLY 173 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3h20 n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h20 s LYS 174 N -0.01 3.82 0.33 1.61 1.02 -1.26 -4.98 119.74 120.27 3h20 s LYS 174 Ca 0.00 0.31 -0.29 0.00 0.02 0.00 0.00 55.97 56.01 3h20 s LYS 174 Cb 0.00 -2.63 -0.11 0.00 -0.52 0.00 0.00 37.83 34.57 3h20 s LYS 174 CO 0.00 0.30 1.53 0.99 -0.92 0.00 0.00 175.35 177.25 3h20 s THR 175 N -1.83 2.10 0.50 2.17 2.01 -1.26 -4.43 115.64 114.90 3h20 s THR 175 Ca 0.48 0.10 -0.23 0.00 0.31 0.00 0.00 61.69 62.34 3h20 s THR 175 Cb -0.11 -3.06 -0.06 0.00 0.01 0.00 0.00 72.50 69.27 3h20 s THR 175 CO 0.21 0.02 1.37 0.00 -0.69 0.00 0.00 174.62 175.52 3h20 s ALA 176 N -0.55 3.00 0.27 7.40 0.00 -0.01 -4.92 121.76 126.97 3h20 s ALA 176 Ca 0.58 1.35 0.01 0.00 0.00 0.00 0.00 51.96 53.89 3h20 s ALA 176 Cb -0.47 -3.56 0.59 0.00 0.00 0.00 0.00 23.12 19.69 3h20 s ALA 176 CO 0.55 -1.23 1.77 1.15 0.00 0.00 0.00 175.76 178.00 3h20 h THR 177 N 1.84 0.72 -0.12 0.00 2.02 -1.86 -1.49 112.91 114.02 3h20 h THR 177 Ca -0.51 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.44 3h20 h THR 177 Cb 1.28 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3h20 h THR 177 CO 0.59 0.12 0.00 0.00 0.37 0.00 0.00 175.52 176.60 3h20 n ALA 178 N -2.40 2.54 0.11 6.16 0.00 0.21 -4.49 120.51 122.64 3h20 n ALA 178 Ca 0.19 -0.34 -0.12 0.00 0.00 0.00 0.00 53.44 53.17 3h20 n ALA 178 Cb 0.47 -1.13 -0.07 0.00 0.00 0.00 0.00 19.45 18.72 3h20 n ALA 178 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3h20 h GLY 179 N 5.30 -1.17 0.23 0.00 0.00 -1.48 0.21 103.07 106.16 3h20 h GLY 179 Ca 0.00 0.59 0.17 0.00 0.00 0.00 0.00 47.33 48.09 3h20 h GLY 179 CO 0.00 -0.33 0.58 -2.55 0.00 0.00 0.00 176.54 174.24 3h20 h PRO 180 N -0.57 0.77 -0.58 4.80 0.11 -1.78 -1.77 132.00 132.97 3h20 h PRO 180 Ca -0.01 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.98 3h20 h PRO 180 Cb 0.56 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 3h20 h PRO 180 CO -0.17 0.51 0.07 0.00 -0.21 0.00 0.00 178.00 178.20 3h20 h ALA 181 N 1.60 1.03 -0.31 -0.75 0.00 -1.73 -1.41 119.26 117.69 3h20 h ALA 181 Ca 0.54 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 3h20 h ALA 181 Cb 0.75 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3h20 h ALA 181 CO -0.35 0.62 -0.30 -0.07 0.00 0.00 0.00 179.25 179.14 3h20 h LEU 182 N 0.89 0.69 -0.52 0.00 3.38 0.05 -0.28 115.31 119.53 3h20 h LEU 182 Ca 0.18 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3h20 h LEU 182 Cb 0.43 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3h20 h LEU 182 CO 0.01 0.95 0.20 0.58 0.09 0.00 0.00 178.44 180.27 3h20 h VAL 183 N 0.57 1.22 -0.35 1.22 2.07 -1.18 -1.32 116.25 118.48 3h20 h VAL 183 Ca 0.07 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 3h20 h VAL 183 Cb 0.80 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3h20 h VAL 183 CO 0.07 0.26 0.20 1.56 0.02 0.00 0.00 177.57 179.68 3h20 h GLN 184 N 0.70 0.48 -0.36 1.57 4.20 -1.09 -2.34 115.11 118.27 3h20 h GLN 184 Ca 0.17 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 3h20 h GLN 184 Cb 0.21 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 3h20 h GLN 184 CO -0.01 0.38 0.22 0.37 -0.67 0.00 0.00 178.83 179.12 3h20 h GLN 185 N 0.44 0.49 -0.75 1.46 4.15 -0.92 -1.21 115.11 118.78 3h20 h GLN 185 Ca 0.12 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.54 3h20 h GLN 185 Cb 0.03 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 27.57 3h20 h GLN 185 CO -0.02 0.36 0.46 0.00 -1.93 0.00 0.00 178.83 177.71 3h20 h ALA 186 N 1.10 1.00 -0.61 3.38 0.00 -1.20 -0.33 119.26 122.60 3h20 h ALA 186 Ca 0.13 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3h20 h ALA 186 Cb -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3h20 h ALA 186 CO -0.03 0.23 0.16 0.78 0.00 0.00 0.00 179.25 180.39 3h20 h GLY 187 N 0.89 1.05 1.00 0.00 0.00 -1.02 -1.25 103.07 103.73 3h20 h GLY 187 Ca 0.31 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 3h20 h GLY 187 CO -0.13 0.60 0.32 1.46 0.00 0.00 0.00 176.54 178.79 3h20 h GLN 188 N 0.89 0.90 -0.65 4.80 1.08 -0.83 -0.22 115.11 121.07 3h20 h GLN 188 Ca 0.19 -0.12 -0.08 0.00 -1.45 0.00 0.00 58.65 57.19 3h20 h GLN 188 Cb 0.34 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.58 3h20 h GLN 188 CO 0.00 0.71 0.09 1.96 -0.95 0.00 0.00 178.83 180.64 3h20 h GLN 189 N 0.87 1.08 -0.39 1.46 4.20 -0.86 -0.59 115.11 120.88 3h20 h GLN 189 Ca 0.22 -0.30 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 3h20 h GLN 189 Cb 0.09 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3h20 h GLN 189 CO -0.03 1.01 -0.04 0.82 -0.67 0.00 0.00 178.83 179.92 3h20 h ILE 190 N 1.00 1.27 -0.90 2.54 2.04 -1.10 -1.90 117.51 120.47 3h20 h ILE 190 Ca 0.19 -1.08 0.02 0.00 1.00 0.00 0.00 64.86 64.99 3h20 h ILE 190 Cb 0.46 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 3h20 h ILE 190 CO 0.02 0.36 0.59 -0.33 0.00 0.00 0.00 178.15 178.79 3h20 h GLU 191 N 0.53 1.14 -0.07 2.37 5.08 -0.90 -0.83 114.58 121.90 3h20 h GLU 191 Ca 0.10 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3h20 h GLU 191 Cb 0.53 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 3h20 h GLU 191 CO 0.03 0.76 0.03 0.37 -1.00 0.00 0.00 179.01 179.19 3h20 h GLN 192 N 1.18 0.10 -0.91 2.33 5.75 -0.97 -1.58 115.11 121.02 3h20 h GLN 192 Ca 0.34 -0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.90 3h20 h GLN 192 Cb -0.08 -0.02 -0.07 0.00 1.07 0.00 0.00 27.48 28.38 3h20 h GLN 192 CO -0.08 0.22 0.56 0.00 -2.65 0.00 0.00 178.83 176.88 3h20 h ALA 193 N 0.88 1.28 -0.37 3.38 0.00 -0.91 -1.90 119.26 121.62 3h20 h ALA 193 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3h20 h ALA 193 Cb 0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3h20 h ALA 193 CO -0.00 0.27 -0.17 1.96 0.00 0.00 0.00 179.25 181.31 3h20 h GLN 194 N 0.98 0.68 -0.67 0.00 4.20 -0.97 -1.25 115.11 118.09 3h20 h GLN 194 Ca 0.41 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 3h20 h GLN 194 Cb 0.26 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 3h20 h GLN 194 CO -0.20 0.81 0.28 0.00 -0.67 0.00 0.00 178.83 179.05 3h20 h ARG 195 N 0.61 1.00 -0.33 1.46 3.08 -0.63 -1.14 114.38 118.43 3h20 h ARG 195 Ca 0.10 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 3h20 h ARG 195 Cb 0.63 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3h20 h ARG 195 CO 0.04 0.83 -0.15 1.96 -1.07 0.00 0.00 179.97 181.58 3h20 h GLN 196 N 0.95 0.59 -0.32 0.04 1.08 -1.10 -0.42 115.11 115.93 3h20 h GLN 196 Ca 0.23 -0.19 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 3h20 h GLN 196 Cb 0.19 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 3h20 h GLN 196 CO -0.02 0.72 0.19 0.37 -0.95 0.00 0.00 178.83 179.15 3h20 h GLN 197 N 0.54 0.43 -0.61 1.46 4.15 -0.99 -0.65 115.11 119.44 3h20 h GLN 197 Ca 0.09 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.41 3h20 h GLN 197 Cb 0.58 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.15 3h20 h GLN 197 CO 0.04 0.33 0.15 1.49 -1.93 0.00 0.00 178.83 178.90 3h20 h GLU 198 N 0.41 0.95 0.24 1.69 4.57 -0.89 0.08 114.58 121.64 3h20 h GLU 198 Ca 0.12 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 3h20 h GLU 198 Cb 0.00 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 3h20 h GLU 198 CO -0.02 0.85 -0.16 -0.22 -1.18 0.00 0.00 179.01 178.28 3h20 h LYS 199 N 0.91 -0.38 -0.83 1.92 3.64 -0.87 0.10 116.57 121.07 3h20 h LYS 199 Ca 0.20 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.64 3h20 h LYS 199 Cb 0.33 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.19 3h20 h LYS 199 CO 0.00 -0.25 0.54 0.00 -2.27 0.00 0.00 179.45 177.47 3h20 h ALA 200 N 0.35 1.49 0.48 5.00 0.00 -0.89 -0.34 119.26 125.35 3h20 h ALA 200 Ca -0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3h20 h ALA 200 Cb 0.33 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3h20 h ALA 200 CO 0.02 0.42 -0.23 -0.09 0.00 0.00 0.00 179.25 179.37 3h20 h ARG 201 N 1.02 -0.62 -0.50 0.00 2.43 -0.75 -1.76 114.38 114.21 3h20 h ARG 201 Ca 0.33 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 3h20 h ARG 201 Cb 0.04 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 3h20 h ARG 201 CO -0.10 -0.40 0.31 0.00 -1.51 0.00 0.00 179.97 178.27 3h20 h ARG 202 N -0.66 0.66 -0.11 0.20 3.08 -0.56 -1.12 114.38 115.88 3h20 h ARG 202 Ca -0.07 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 3h20 h ARG 202 Cb 0.50 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 3h20 h ARG 202 CO 0.11 0.46 -0.07 1.25 -1.07 0.00 0.00 179.97 180.65 3h20 h LEU 203 N 0.68 0.25 -1.26 3.04 5.85 -1.01 -2.87 115.31 119.98 3h20 h LEU 203 Ca 0.18 -0.44 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 3h20 h LEU 203 Cb -0.05 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3h20 h LEU 203 CO -0.04 0.63 0.07 0.00 -0.34 0.00 0.00 178.44 178.76 3h20 h ALA 204 N 0.62 1.40 -0.86 1.25 0.00 -1.08 -2.22 119.26 118.37 3h20 h ALA 204 Ca 0.02 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.85 3h20 h ALA 204 Cb 0.55 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 3h20 h ALA 204 CO 0.02 0.43 0.51 1.03 0.00 0.00 0.00 179.25 181.24 3h20 h SER 205 N 0.56 0.76 0.22 0.00 0.87 -1.13 -2.56 113.55 112.27 3h20 h SER 205 Ca 0.13 0.04 -0.19 0.00 -1.23 0.00 0.00 61.79 60.53 3h20 h SER 205 Cb 0.25 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 3h20 h SER 205 CO 0.00 0.45 -0.76 -0.07 -0.53 0.00 0.00 176.83 175.92 3h20 h LEU 206 N 0.88 0.54 0.00 2.23 3.38 -1.21 -3.51 115.31 117.61 3h20 h LEU 206 Ca 0.40 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3h20 h LEU 206 Cb 0.32 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3h20 h LEU 206 CO -0.23 1.11 0.00 -0.62 0.09 0.00 0.00 178.44 178.80 3h20 n GLU 207 N -3.84 0.00 0.00 1.13 1.02 -0.88 -5.13 120.64 112.94 3h20 n GLU 207 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 3h20 n GLU 207 Cb 0.73 -0.26 0.00 0.00 -0.02 0.00 0.00 31.44 31.89 3h20 n GLU 207 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 3h20 n ARG 217 N -0.68 0.00 -3.11 3.49 0.00 -1.26 -4.88 116.66 110.23 3h20 n ARG 217 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.42 3h20 n ARG 217 Cb 0.00 -3.05 -0.07 0.00 -0.00 0.00 0.00 32.46 29.35 3h20 n ARG 217 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3h20 s ARG 218 N 0.00 3.37 0.50 2.89 0.52 -1.26 -5.02 118.95 119.95 3h20 s ARG 218 Ca 0.00 -0.27 0.00 0.00 -0.52 0.00 0.00 55.73 54.94 3h20 s ARG 218 Cb 0.00 -3.92 0.10 0.00 0.52 0.00 0.00 34.95 31.65 3h20 s ARG 218 CO 0.00 -0.95 0.69 -2.37 0.02 0.00 0.00 175.30 172.69 3h20 n THR 219 N 5.81 0.00 -0.31 0.02 5.66 -1.26 -4.86 114.28 119.34 3h20 n THR 219 Ca -0.01 -1.12 0.02 0.00 -3.05 0.00 0.00 64.05 59.89 3h20 n THR 219 Cb 0.48 -1.01 0.16 0.00 -1.55 0.00 0.00 70.33 68.41 3h20 n THR 219 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3h20 h ALA 220 N -0.50 1.22 0.13 1.79 0.00 -1.97 -0.01 119.26 119.92 3h20 h ALA 220 Ca -0.23 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3h20 h ALA 220 Cb 0.86 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3h20 h ALA 220 CO 0.25 0.20 -0.06 1.25 0.00 0.00 0.00 179.25 180.89 3h20 h LEU 221 N 0.90 -0.14 -1.12 0.00 5.85 -1.94 0.11 115.31 118.97 3h20 h LEU 221 Ca 0.40 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 59.13 3h20 h LEU 221 Cb 0.29 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 3h20 h LEU 221 CO -0.22 -0.09 0.60 0.44 -0.34 0.00 0.00 178.44 178.83 3h20 h ASP 222 N -0.18 1.02 -0.33 1.25 3.32 -1.83 -0.74 116.42 118.92 3h20 h ASP 222 Ca -0.02 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 3h20 h ASP 222 Cb 0.14 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3h20 h ASP 222 CO 0.03 0.72 0.10 -0.08 -1.72 0.00 0.00 179.24 178.30 3h20 h GLU 223 N 1.20 0.52 -0.02 3.56 4.81 -0.74 -1.45 114.58 122.45 3h20 h GLU 223 Ca 0.34 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3h20 h GLU 223 Cb -0.09 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 3h20 h GLU 223 CO -0.09 0.55 0.01 -0.92 -0.73 0.00 0.00 179.01 177.84 3h20 h TYR 224 N 0.39 0.03 -0.81 0.92 3.20 -0.34 -2.66 116.97 117.69 3h20 h TYR 224 Ca 0.11 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 3h20 h TYR 224 Cb 0.25 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 3h20 h TYR 224 CO 0.01 0.11 0.49 0.00 -1.64 0.00 0.00 178.16 177.12 3h20 h ARG 225 N -0.06 1.09 -0.02 1.82 3.08 -1.10 -1.31 114.38 117.88 3h20 h ARG 225 Ca 0.01 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3h20 h ARG 225 Cb 0.09 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 3h20 h ARG 225 CO -0.00 0.76 0.01 1.03 -1.07 0.00 0.00 179.97 180.70 3h20 h SER 226 N 1.11 0.01 -0.42 7.04 0.87 -1.18 -1.69 113.55 119.29 3h20 h SER 226 Ca 0.29 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 3h20 h SER 226 Cb -0.05 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 3h20 h SER 226 CO -0.05 0.01 0.22 -0.33 -0.53 0.00 0.00 176.83 176.14 3h20 h GLU 227 N 0.02 0.59 -0.80 2.24 4.39 -1.20 -3.16 114.58 116.66 3h20 h GLU 227 Ca 0.01 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.64 3h20 h GLU 227 Cb 0.00 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.50 3h20 h GLU 227 CO -0.01 0.49 0.53 0.52 -1.16 0.00 0.00 179.01 179.39 3h20 h MET 228 N 0.54 1.05 -0.65 2.33 2.86 -1.11 -2.07 114.93 117.90 3h20 h MET 228 Ca 0.15 -0.06 0.15 0.00 -2.06 0.00 0.00 59.70 57.87 3h20 h MET 228 Cb 0.08 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 31.47 3h20 h MET 228 CO -0.02 0.70 0.45 0.00 1.06 0.00 0.00 176.91 179.09 3h20 h ALA 229 N 1.30 2.29 0.01 6.32 0.00 -1.27 -0.70 119.26 127.21 3h20 h ALA 229 Ca 0.30 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.91 3h20 h ALA 229 Cb -0.12 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 3h20 h ALA 229 CO -0.07 -0.46 -1.68 0.78 0.00 0.00 0.00 179.25 177.82 3h20 h GLY 230 N 0.23 0.01 1.21 0.00 0.00 -1.59 -3.39 103.07 99.53 3h20 h GLY 230 Ca 0.31 -0.04 -0.19 0.00 0.00 0.00 0.00 47.33 47.42 3h20 h GLY 230 CO -0.06 0.03 -0.58 1.41 0.00 0.00 0.00 176.54 177.34 3h20 h LEU 231 N 0.00 0.92 -1.02 3.11 3.38 -0.47 -3.20 115.31 118.03 3h20 h LEU 231 Ca -0.28 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.18 3h20 h LEU 231 Cb 2.00 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.49 3h20 h LEU 231 CO 0.08 1.30 0.00 -0.37 0.09 0.00 0.00 178.44 179.54 3h20 h VAL 232 N 0.62 0.00 -0.17 1.22 -1.51 -1.40 0.60 116.25 115.60 3h20 h VAL 232 Ca 0.00 -0.38 -0.19 0.00 -1.23 0.00 0.00 66.70 64.90 3h20 h VAL 232 Cb 1.18 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.59 3h20 h VAL 232 CO 0.12 0.00 -0.67 0.11 -1.23 0.00 0.00 177.57 175.90 3h20 h LYS 233 N 0.00 0.68 0.00 5.19 1.57 -1.75 -2.68 116.57 119.59 3h20 h LYS 233 Ca 0.00 -0.50 -0.11 0.00 -1.87 0.00 0.00 60.65 58.17 3h20 h LYS 233 Cb 0.45 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 3h20 h LYS 233 CO 0.00 1.12 -2.04 2.89 -0.57 0.00 0.00 179.45 180.86 3h20 n ARG 234 N -3.93 0.66 -1.93 3.15 1.85 -1.03 -4.53 116.66 110.90 3h20 n ARG 234 Ca -0.05 -0.12 -0.22 0.00 -1.00 0.00 0.00 57.85 56.46 3h20 n ARG 234 Cb 0.68 -1.55 0.03 0.00 -1.05 0.00 0.00 32.46 30.58 3h20 n ARG 234 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3h20 n PHE 235 N -2.43 2.58 0.22 2.89 3.72 0.17 -4.85 117.46 119.76 3h20 n PHE 235 Ca -0.12 -2.18 0.12 0.00 -0.05 0.00 0.00 57.45 55.22 3h20 n PHE 235 Cb 0.74 -0.34 0.58 0.00 -0.94 0.00 0.00 39.48 39.52 3h20 n PHE 235 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h20 n GLY 236 N -0.74 -0.97 0.73 1.37 0.00 -1.01 -1.61 105.19 102.97 3h20 n GLY 236 Ca 0.42 0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.75 3h20 n GLY 236 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h20 n ASP 237 N -2.28 2.28 -3.11 1.61 5.75 -1.26 -4.60 116.55 114.95 3h20 n ASP 237 Ca -0.01 -1.76 -0.19 0.00 -0.01 0.00 0.00 54.79 52.82 3h20 n ASP 237 Cb 0.08 -0.01 -0.05 0.00 -1.03 0.00 0.00 41.12 40.11 3h20 n ASP 237 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3h20 n ASP 238 N 0.78 -1.02 0.23 -1.12 -0.08 -0.63 -5.00 116.55 109.71 3h20 n ASP 238 Ca 0.17 -2.75 0.08 0.00 -1.51 0.00 0.00 54.79 50.77 3h20 n ASP 238 Cb 0.48 0.14 0.56 0.00 2.34 0.00 0.00 41.12 44.63 3h20 n ASP 238 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3h20 h LEU 239 N 4.54 0.00 -0.62 -2.67 3.38 -1.81 -2.02 115.31 116.11 3h20 h LEU 239 Ca 0.08 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 3h20 h LEU 239 Cb 0.94 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 3h20 h LEU 239 CO 0.36 0.21 -0.14 0.77 0.09 0.00 0.00 178.44 179.72 3h20 h SER 240 N 0.00 0.94 -0.71 -0.43 4.64 -1.94 -1.75 113.55 114.30 3h20 h SER 240 Ca -0.00 -0.32 -0.01 0.00 -0.47 0.00 0.00 61.79 60.99 3h20 h SER 240 Cb 0.44 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.24 3h20 h SER 240 CO 0.03 1.08 0.41 0.50 -0.87 0.00 0.00 176.83 177.97 3h20 h LYS 241 N 0.83 0.99 -0.32 4.77 3.64 -1.76 -0.24 116.57 124.47 3h20 h LYS 241 Ca 0.13 -0.10 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 3h20 h LYS 241 Cb 0.69 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 32.25 3h20 h LYS 241 CO 0.05 0.72 -0.07 0.00 -2.27 0.00 0.00 179.45 177.88 3h20 h ASP 243 N 0.01 0.01 -0.30 0.00 3.32 -0.85 -1.08 116.42 117.53 3h20 h ASP 243 Ca 0.16 0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.30 3h20 h ASP 243 Cb 0.24 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 3h20 h ASP 243 CO -0.33 0.04 0.13 0.15 -1.72 0.00 0.00 179.24 177.51 3h20 h PHE 244 N 0.22 0.24 -0.45 4.55 3.57 -0.29 0.13 116.94 124.90 3h20 h PHE 244 Ca 0.21 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.62 3h20 h PHE 244 Cb 0.25 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3h20 h PHE 244 CO -0.21 0.13 -0.10 0.82 -2.23 0.00 0.00 178.31 176.72 3h20 h ILE 245 N 0.28 1.27 -0.32 1.41 2.04 -0.90 -0.46 117.51 120.85 3h20 h ILE 245 Ca 0.13 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 3h20 h ILE 245 Cb 0.06 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3h20 h ILE 245 CO -0.10 0.42 0.16 0.00 0.00 0.00 0.00 178.15 178.62 3h20 h ALA 246 N 0.88 0.41 -0.88 1.87 0.00 -0.98 -1.74 119.26 118.80 3h20 h ALA 246 Ca 0.12 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3h20 h ALA 246 Cb 0.64 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3h20 h ALA 246 CO 0.04 -0.04 0.58 0.00 0.00 0.00 0.00 179.25 179.83 3h20 h ALA 247 N 1.02 1.14 -0.87 0.00 0.00 -0.63 -0.73 119.26 119.18 3h20 h ALA 247 Ca 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3h20 h ALA 247 Cb 0.10 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3h20 h ALA 247 CO -0.01 0.47 0.46 0.37 0.00 0.00 0.00 179.25 180.53 3h20 h GLN 248 N 1.15 1.23 -0.00 0.00 4.15 -0.86 0.15 115.11 120.92 3h20 h GLN 248 Ca 0.34 -0.16 -0.00 0.00 0.77 0.00 0.00 58.65 59.60 3h20 h GLN 248 Cb -0.07 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 27.39 3h20 h GLN 248 CO -0.09 0.91 -0.00 0.87 -1.93 0.00 0.00 178.83 178.59 3h20 h LYS 249 N 1.23 0.00 -0.63 1.69 1.57 -0.68 -1.00 116.57 118.75 3h20 h LYS 249 Ca 0.30 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.13 3h20 h LYS 249 Cb 0.06 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.32 3h20 h LYS 249 CO -0.05 0.40 0.36 -0.07 -0.57 0.00 0.00 179.45 179.52 3h20 h LEU 250 N -0.39 0.54 -0.65 2.94 4.07 -1.09 -2.20 115.31 118.52 3h20 h LEU 250 Ca 0.00 0.02 -0.12 0.00 0.08 0.00 0.00 57.88 57.87 3h20 h LEU 250 Cb 0.40 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 3h20 h LEU 250 CO 0.00 0.36 -0.19 0.00 -1.08 0.00 0.00 178.44 177.53 3h20 h ALA 251 N 1.32 0.84 0.00 1.53 0.00 -0.95 -1.02 119.26 120.98 3h20 h ALA 251 Ca 0.28 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3h20 h ALA 251 Cb 0.14 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3h20 h ALA 251 CO -0.16 0.64 -0.15 0.77 0.00 0.00 0.00 179.25 180.35 3h20 h SER 252 N 0.75 0.00 -0.42 0.00 0.02 -0.98 -2.22 113.55 110.70 3h20 h SER 252 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3h20 h SER 252 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 3h20 h SER 252 CO 0.06 0.15 0.00 0.54 -1.14 0.00 0.00 176.83 176.43 3h20 n ARG 253 N -3.88 2.19 -0.01 3.45 1.74 -0.84 -4.32 116.66 114.98 3h20 n ARG 253 Ca -0.02 -1.83 0.00 0.00 -0.77 0.00 0.00 57.85 55.23 3h20 n ARG 253 Cb 0.24 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 3h20 n ARG 253 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h20 n GLY 254 N 1.34 0.68 3.77 -0.13 0.00 -0.83 -5.06 105.19 104.95 3h20 n GLY 254 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3h20 n GLY 254 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h20 s ARG 255 N -0.99 3.95 0.69 1.61 1.81 -0.42 -4.99 118.95 120.62 3h20 s ARG 255 Ca 0.00 1.98 -0.13 0.00 -1.72 0.00 0.00 55.73 55.85 3h20 s ARG 255 Cb 0.00 -2.67 0.01 0.00 -0.45 0.00 0.00 34.95 31.84 3h20 s ARG 255 CO 0.00 -0.45 1.10 0.45 -0.68 0.00 0.00 175.30 175.72 3h20 s SER 256 N -0.98 5.01 0.37 0.23 0.15 -1.26 -4.46 113.70 112.76 3h20 s SER 256 Ca 0.58 1.91 0.06 0.00 0.70 0.00 0.00 55.95 59.19 3h20 s SER 256 Cb -0.34 -2.54 0.75 0.00 -1.71 0.00 0.00 66.02 62.18 3h20 s SER 256 CO 0.43 -1.69 2.00 0.00 1.20 0.00 0.00 173.24 175.17 3h20 h ALA 257 N -0.31 1.68 -0.16 5.45 0.00 -1.99 -1.36 119.26 122.57 3h20 h ALA 257 Ca -0.46 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 3h20 h ALA 257 Cb 1.24 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3h20 h ALA 257 CO 0.54 0.25 -0.32 1.49 0.00 0.00 0.00 179.25 181.21 3h20 h GLU 258 N 0.73 0.50 -0.51 0.00 4.81 -1.99 -1.71 114.58 116.41 3h20 h GLU 258 Ca 0.26 -0.32 0.07 0.00 -0.13 0.00 0.00 59.36 59.23 3h20 h GLU 258 Cb 0.11 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.47 3h20 h GLU 258 CO -0.07 0.93 0.19 0.93 -0.73 0.00 0.00 179.01 180.26 3h20 h GLU 259 N 0.14 0.36 -0.23 1.92 5.08 -1.86 -0.82 114.58 119.16 3h20 h GLU 259 Ca 0.01 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 3h20 h GLU 259 Cb 0.91 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 3h20 h GLU 259 CO 0.07 0.24 -0.19 0.82 -1.00 0.00 0.00 179.01 178.94 3h20 h ILE 260 N 0.37 1.32 -0.22 3.13 2.04 -1.29 -2.24 117.51 120.61 3h20 h ILE 260 Ca 0.25 -1.34 0.04 0.00 1.00 0.00 0.00 64.86 64.81 3h20 h ILE 260 Cb 0.26 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 3h20 h ILE 260 CO -0.25 0.41 0.00 1.23 0.00 0.00 0.00 178.15 179.55 3h20 h GLY 261 N 0.24 0.21 1.45 5.37 0.00 -1.17 -0.69 103.07 108.48 3h20 h GLY 261 Ca 0.04 0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 3h20 h GLY 261 CO 0.05 -0.04 0.16 1.70 0.00 0.00 0.00 176.54 178.41 3h20 h LYS 262 N 0.07 0.71 -0.36 4.80 3.64 -1.16 0.10 116.57 124.37 3h20 h LYS 262 Ca 0.10 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 3h20 h LYS 262 Cb 0.13 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3h20 h LYS 262 CO -0.18 0.61 -0.09 0.00 -2.27 0.00 0.00 179.45 177.53 3h20 h ALA 263 N 1.48 0.50 -0.44 5.00 0.00 -1.05 -2.71 119.26 122.03 3h20 h ALA 263 Ca 0.16 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3h20 h ALA 263 Cb 0.20 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3h20 h ALA 263 CO -0.01 0.35 0.15 0.52 0.00 0.00 0.00 179.25 180.26 3h20 h MET 264 N 0.49 0.67 -0.64 0.00 2.86 -0.79 -1.73 114.93 115.80 3h20 h MET 264 Ca 0.09 -0.14 0.10 0.00 -2.06 0.00 0.00 59.70 57.70 3h20 h MET 264 Cb 0.60 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.12 3h20 h MET 264 CO 0.04 0.64 0.43 0.00 1.06 0.00 0.00 176.91 179.08 3h20 h ALA 265 N 1.00 1.99 0.14 6.32 0.00 -0.93 -1.06 119.26 126.71 3h20 h ALA 265 Ca 0.14 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.70 3h20 h ALA 265 Cb 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3h20 h ALA 265 CO -0.01 -0.13 -1.78 1.49 0.00 0.00 0.00 179.25 178.82 3h20 h GLU 266 N 0.45 0.29 0.00 0.00 4.57 -1.27 -3.44 114.58 115.19 3h20 h GLU 266 Ca 0.30 -0.50 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 3h20 h GLU 266 Cb 0.55 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 3h20 h GLU 266 CO -0.09 1.18 0.00 0.00 -1.18 0.00 0.00 179.01 178.92 3h20 n ALA 267 N -2.84 1.58 -2.35 2.92 0.00 -0.67 -5.04 120.51 114.12 3h20 n ALA 267 Ca -0.25 -0.03 -0.43 0.00 0.00 0.00 0.00 53.44 52.73 3h20 n ALA 267 Cb 1.06 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.49 3h20 n ALA 267 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h20 s SER 268 N -0.71 6.84 0.24 0.00 0.15 -0.42 -4.92 113.70 114.89 3h20 s SER 268 Ca 0.00 1.70 -0.04 0.00 0.70 0.00 0.00 55.95 58.31 3h20 s SER 268 Cb 0.00 -2.54 0.28 0.00 -1.71 0.00 0.00 66.02 62.05 3h20 s SER 268 CO 0.00 -0.86 1.76 1.55 1.20 0.00 0.00 173.24 176.89 3h20 h PRO 269 N 8.68 0.90 -0.67 5.44 0.13 -1.94 -2.65 132.00 141.90 3h20 h PRO 269 Ca -0.29 -0.23 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 3h20 h PRO 269 Cb 1.12 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.10 3h20 h PRO 269 CO 0.98 0.86 0.38 0.00 -0.23 0.00 0.00 178.00 179.99 3h20 h ALA 270 N 1.22 1.41 -0.43 -0.56 0.00 -1.91 -2.81 119.26 116.18 3h20 h ALA 270 Ca 0.17 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3h20 h ALA 270 Cb 0.41 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3h20 h ALA 270 CO 0.01 0.49 -0.15 1.25 0.00 0.00 0.00 179.25 180.86 3h20 h LEU 271 N 0.93 0.88 -2.14 0.00 5.85 -1.85 -3.03 115.31 115.95 3h20 h LEU 271 Ca 0.24 -0.38 0.06 0.00 0.84 0.00 0.00 57.88 58.64 3h20 h LEU 271 Cb -0.00 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 3h20 h LEU 271 CO -0.04 1.06 0.30 0.00 -0.34 0.00 0.00 178.44 179.42 3h20 h ALA 272 N 0.85 1.76 0.00 1.25 0.00 -1.20 0.20 119.26 122.12 3h20 h ALA 272 Ca 0.10 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3h20 h ALA 272 Cb 0.70 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3h20 h ALA 272 CO 0.05 -0.41 -0.44 0.93 0.00 0.00 0.00 179.25 179.38 3h20 h GLU 273 N 0.00 0.00 -7.28 0.00 5.08 -1.55 -3.47 114.58 107.36 3h20 h GLU 273 Ca 0.10 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.97 3h20 h GLU 273 Cb 0.70 0.00 0.17 0.00 0.50 0.00 0.00 28.75 30.13 3h20 h GLU 273 CO -0.00 0.44 0.21 1.03 -1.00 0.00 0.00 179.01 179.69 3h20 s ARG 274 N -3.23 0.94 -0.33 2.33 1.81 0.69 -5.09 118.95 116.07 3h20 s ARG 274 Ca 0.02 1.09 -0.11 0.00 -1.72 0.00 0.00 55.73 55.02 3h20 s ARG 274 Cb 0.09 -1.75 0.01 0.00 -0.45 0.00 0.00 34.95 32.85 3h20 s ARG 274 CO 0.72 -2.54 0.41 0.36 -0.68 0.00 0.00 175.30 173.57 3h20 n LYS 275 N -4.12 -2.02 -4.55 3.54 0.00 -1.26 -4.74 118.16 105.00 3h20 n LYS 275 Ca 0.08 1.87 -0.26 0.00 -0.00 0.00 0.00 58.31 60.00 3h20 n LYS 275 Cb 0.54 -4.77 -0.11 0.00 -0.00 0.00 0.00 35.03 30.69 3h20 n LYS 275 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 3h20 s HIS 278 N -2.14 2.38 0.03 5.58 2.46 -1.26 -5.27 115.29 117.08 3h20 s HIS 278 Ca 0.17 -0.59 -0.26 0.00 0.47 0.00 0.00 55.06 54.85 3h20 s HIS 278 Cb -0.05 -1.48 -0.17 0.00 -0.13 0.00 0.00 32.58 30.75 3h20 s HIS 278 CO 0.61 0.50 1.38 0.93 -2.47 0.00 0.00 174.74 175.69 3h20 h GLU 279 N 1.97 -0.37 -0.90 2.88 4.39 -1.89 -3.12 114.58 117.54 3h20 h GLU 279 Ca -0.42 0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.33 3h20 h GLU 279 Cb 1.25 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.93 3h20 h GLU 279 CO 0.73 -0.09 0.58 0.00 -1.16 0.00 0.00 179.01 179.08 3h20 h ALA 280 N -0.00 1.17 -0.69 3.43 0.00 -2.00 -2.60 119.26 118.58 3h20 h ALA 280 Ca -0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3h20 h ALA 280 Cb 0.45 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3h20 h ALA 280 CO 0.06 0.46 0.29 0.38 0.00 0.00 0.00 179.25 180.45 3h20 h ASP 281 N 1.15 0.94 -0.39 0.00 2.03 -2.00 -1.58 116.42 116.57 3h20 h ASP 281 Ca 0.35 -0.16 -0.03 0.00 -0.73 0.00 0.00 57.03 56.46 3h20 h ASP 281 Cb -0.03 -0.24 -0.02 0.00 -0.83 0.00 0.00 39.33 38.21 3h20 h ASP 281 CO -0.11 0.84 0.13 0.22 -1.03 0.00 0.00 179.24 179.30 3h20 h TYR 282 N 0.97 0.62 0.10 4.15 3.20 -1.41 -1.40 116.97 123.21 3h20 h TYR 282 Ca 0.23 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 3h20 h TYR 282 Cb 0.18 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 3h20 h TYR 282 CO 0.01 0.57 -0.06 0.82 -1.64 0.00 0.00 178.16 177.86 3h20 h ILE 283 N 0.48 0.87 -0.60 1.81 2.04 -1.37 -1.12 117.51 119.64 3h20 h ILE 283 Ca 0.13 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.04 3h20 h ILE 283 Cb 0.23 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 3h20 h ILE 283 CO -0.01 0.00 0.31 -0.08 0.00 0.00 0.00 178.15 178.38 3h20 h GLU 284 N -0.15 0.57 -0.33 2.37 4.57 -1.20 0.16 114.58 120.56 3h20 h GLU 284 Ca -0.01 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.04 3h20 h GLU 284 Cb 0.13 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 3h20 h GLU 284 CO 0.01 0.38 -0.16 -0.09 -1.18 0.00 0.00 179.01 177.97 3h20 h ARG 285 N 0.59 0.69 -0.19 1.92 2.43 -1.20 0.84 114.38 119.47 3h20 h ARG 285 Ca 0.27 -0.31 0.04 0.00 -0.81 0.00 0.00 59.98 59.17 3h20 h ARG 285 Cb 0.17 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 3h20 h ARG 285 CO -0.18 0.90 -0.03 1.15 -1.51 0.00 0.00 179.97 180.30 3h20 h THR 286 N 0.47 0.83 -0.50 0.20 2.02 -0.83 -0.53 112.91 114.55 3h20 h THR 286 Ca 0.07 -0.01 -0.11 0.00 0.77 0.00 0.00 66.41 67.14 3h20 h THR 286 Cb 0.70 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 3h20 h THR 286 CO 0.05 0.00 -0.11 0.58 0.37 0.00 0.00 175.52 176.41 3h20 h VAL 287 N 0.02 1.27 -0.29 3.16 2.07 -0.88 -2.49 116.25 119.10 3h20 h VAL 287 Ca 0.09 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.37 3h20 h VAL 287 Cb 0.13 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3h20 h VAL 287 CO -0.18 0.43 0.19 -1.28 0.02 0.00 0.00 177.57 176.75 3h20 h SER 288 N 0.83 0.34 -0.64 0.57 0.87 -0.52 -1.43 113.55 113.58 3h20 h SER 288 Ca 0.13 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 3h20 h SER 288 Cb 0.65 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.50 3h20 h SER 288 CO 0.05 0.25 0.31 0.11 -0.53 0.00 0.00 176.83 177.02 3h20 h LYS 289 N 0.39 0.92 -0.37 2.24 1.57 -1.00 -2.53 116.57 117.79 3h20 h LYS 289 Ca 0.11 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3h20 h LYS 289 Cb -0.04 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 3h20 h LYS 289 CO -0.02 0.73 0.20 0.28 -0.57 0.00 0.00 179.45 180.07 3h20 h VAL 290 N 0.88 1.15 0.00 0.50 2.07 -1.28 -2.95 116.25 116.62 3h20 h VAL 290 Ca 0.22 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 3h20 h VAL 290 Cb 0.11 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3h20 h VAL 290 CO -0.03 0.15 -0.04 0.24 0.02 0.00 0.00 177.57 177.92 3h20 h MET 291 N 0.47 0.00 0.00 1.57 2.86 -1.00 -2.44 114.93 116.39 3h20 h MET 291 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3h20 h MET 291 Cb 0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.73 3h20 h MET 291 CO -0.02 0.04 -0.09 0.41 1.06 0.00 0.00 176.91 178.31 3h20 n GLY 292 N -0.15 -1.52 3.73 8.32 0.00 -0.98 -4.58 105.19 110.01 3h20 n GLY 292 Ca -0.00 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 3h20 n GLY 292 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h20 s LEU 293 N -3.46 4.44 0.28 0.99 1.43 -0.92 -4.92 118.68 116.52 3h20 s LEU 293 Ca 0.12 2.14 0.02 0.00 -1.03 0.00 0.00 54.13 55.39 3h20 s LEU 293 Cb 0.17 -3.60 0.59 0.00 0.03 0.00 0.00 46.19 43.38 3h20 s LEU 293 CO 0.58 -0.37 1.81 -0.65 0.23 0.00 0.00 176.35 177.95 3h20 h PRO 294 N 5.65 0.87 -0.49 1.29 0.11 -1.90 -0.80 132.00 136.73 3h20 h PRO 294 Ca -0.44 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.65 3h20 h PRO 294 Cb 1.21 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 3h20 h PRO 294 CO 0.76 0.58 0.27 0.66 -0.21 0.00 0.00 178.00 180.05 3h20 h SER 295 N 0.90 0.40 -0.16 -2.05 4.64 -1.94 0.11 113.55 115.45 3h20 h SER 295 Ca 0.51 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.77 3h20 h SER 295 Cb 0.60 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3h20 h SER 295 CO -0.30 0.28 -0.20 0.58 -0.87 0.00 0.00 176.83 176.32 3h20 h VAL 296 N 0.52 1.35 -0.53 0.95 2.07 -1.68 -1.73 116.25 117.21 3h20 h VAL 296 Ca 0.21 -1.40 0.04 0.00 0.82 0.00 0.00 66.70 66.36 3h20 h VAL 296 Cb 0.08 1.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 3h20 h VAL 296 CO -0.12 0.42 0.29 1.56 0.02 0.00 0.00 177.57 179.74 3h20 h GLN 297 N 0.05 0.56 -0.17 1.57 4.20 -0.97 -0.59 115.11 119.76 3h20 h GLN 297 Ca 0.02 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 3h20 h GLN 297 Cb 0.76 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 3h20 h GLN 297 CO 0.05 0.37 -0.03 1.25 -0.67 0.00 0.00 178.83 179.80 3h20 h LEU 298 N 0.57 0.32 -0.31 1.46 5.85 -0.98 -1.61 115.31 120.62 3h20 h LEU 298 Ca 0.22 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.64 3h20 h LEU 298 Cb 0.09 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3h20 h LEU 298 CO -0.13 0.60 0.06 0.00 -0.34 0.00 0.00 178.44 178.63 3h20 h ALA 299 N 0.74 0.32 -0.66 1.25 0.00 -1.15 0.16 119.26 119.92 3h20 h ALA 299 Ca 0.05 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3h20 h ALA 299 Cb 0.45 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3h20 h ALA 299 CO 0.01 -0.35 0.35 0.00 0.00 0.00 0.00 179.25 179.26 3h20 h ARG 300 N 0.17 0.93 -0.86 0.00 3.08 -1.11 0.38 114.38 116.97 3h20 h ARG 300 Ca 0.14 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3h20 h ARG 300 Cb 0.15 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 3h20 h ARG 300 CO -0.19 0.71 0.49 0.00 -1.07 0.00 0.00 179.97 179.92 3h20 h ALA 301 N 1.16 1.09 -0.04 0.04 0.00 -0.99 -0.71 119.26 119.82 3h20 h ALA 301 Ca 0.23 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3h20 h ALA 301 Cb 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3h20 h ALA 301 CO -0.03 0.58 -0.54 0.93 0.00 0.00 0.00 179.25 180.19 3h20 h GLU 302 N 1.18 0.10 -0.48 0.00 5.08 -0.57 -3.04 114.58 116.85 3h20 h GLU 302 Ca 0.30 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.51 3h20 h GLU 302 Cb -0.01 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3h20 h GLU 302 CO -0.05 0.61 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.45 3h20 h LEU 303 N 0.08 0.88 -2.61 1.33 3.38 -0.55 -3.15 115.31 114.68 3h20 h LEU 303 Ca -0.00 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.65 3h20 h LEU 303 Cb 0.97 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 3h20 h LEU 303 CO 0.08 1.00 0.09 0.00 0.09 0.00 0.00 178.44 179.70 3h20 h ALA 304 N 0.91 1.29 0.00 1.53 0.00 -1.02 -0.87 119.26 121.10 3h20 h ALA 304 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3h20 h ALA 304 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3h20 h ALA 304 CO 0.03 -0.10 -0.27 2.89 0.00 0.00 0.00 179.25 181.80 3h20 n ARG 305 N -3.32 0.14 -2.53 0.00 0.00 -1.19 -4.88 116.66 104.88 3h20 n ARG 305 Ca -0.02 0.08 -0.28 0.00 -0.00 0.00 0.00 57.85 57.62 3h20 n ARG 305 Cb 0.17 -1.63 -0.00 0.00 -0.00 0.00 0.00 32.46 31.00 3h20 n ARG 305 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3h20 s ALA 306 N -3.07 3.34 -1.81 2.89 0.00 -0.33 -5.15 121.76 117.63 3h20 s ALA 306 Ca 0.10 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.67 3h20 s ALA 306 Cb 0.15 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.59 3h20 s ALA 306 CO 0.63 -0.36 0.45 -2.30 0.00 0.00 0.00 175.76 174.18