#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h24 s TRP 3 N 0.00 3.77 -1.73 5.64 0.52 -1.26 -4.96 118.94 120.93 3h24 s TRP 3 Ca 0.00 1.35 0.21 0.00 0.02 0.00 0.00 56.10 57.68 3h24 s TRP 3 Cb 0.00 -2.64 0.68 0.00 -1.15 0.00 0.00 33.47 30.36 3h24 s TRP 3 CO 0.00 0.44 1.57 -0.40 0.02 0.00 0.00 176.95 178.59 3h24 n ASP 4 N 2.23 4.23 -3.87 2.95 3.85 -1.26 -4.91 116.55 119.77 3h24 n ASP 4 Ca -0.07 -2.14 -0.10 0.00 -0.71 0.00 0.00 54.79 51.77 3h24 n ASP 4 Cb 0.50 -0.52 -0.08 0.00 -1.35 0.00 0.00 41.12 39.67 3h24 n ASP 4 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 3h24 s TYR 5 N -1.28 0.13 0.19 2.11 -0.85 -1.26 -5.18 117.35 111.20 3h24 s TYR 5 Ca 0.50 -0.44 0.06 0.00 -0.52 0.00 0.00 57.07 56.67 3h24 s TYR 5 Cb 0.28 -0.07 -0.04 0.00 0.38 0.00 0.00 41.96 42.51 3h24 s TYR 5 CO 0.31 -0.45 0.13 -0.51 -1.52 0.00 0.00 175.55 173.51 3h24 s ASP 6 N -2.36 5.41 0.01 -0.18 1.01 -1.26 -4.65 116.67 114.65 3h24 s ASP 6 Ca -0.02 -0.20 -0.30 0.00 0.71 0.00 0.00 52.55 52.74 3h24 s ASP 6 Cb 0.01 -1.37 -0.06 0.00 1.01 0.00 0.00 42.92 42.51 3h24 s ASP 6 CO -0.06 0.05 1.44 -0.76 0.21 0.00 0.00 175.17 176.04 3h24 s LEU 7 N -3.26 4.32 -0.27 1.23 1.43 -0.44 -4.92 118.68 116.76 3h24 s LEU 7 Ca 0.31 2.17 -0.11 0.00 -1.03 0.00 0.00 54.13 55.47 3h24 s LEU 7 Cb -0.09 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 3h24 s LEU 7 CO 0.23 -0.75 0.21 -0.13 0.23 0.00 0.00 176.35 176.14 3h24 s ARG 8 N 2.45 3.98 -0.45 1.70 1.81 -1.26 -1.22 118.95 125.95 3h24 s ARG 8 Ca 0.65 -0.26 0.04 0.00 -1.72 0.00 0.00 55.73 54.45 3h24 s ARG 8 Cb -0.33 -3.64 0.17 0.00 -0.45 0.00 0.00 34.95 30.71 3h24 s ARG 8 CO 0.27 -0.15 0.37 0.00 -0.68 0.00 0.00 175.30 175.11 3h24 n GLY 10 N 2.66 2.04 0.28 0.00 0.00 -1.26 0.22 105.19 109.13 3h24 n GLY 10 Ca 0.28 0.47 0.14 0.00 0.00 0.00 0.00 46.02 46.91 3h24 n GLY 10 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3h24 h GLU 11 N 0.00 0.00 -6.34 1.61 4.81 -2.00 -3.45 114.58 109.20 3h24 h GLU 11 Ca 0.00 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.62 3h24 h GLU 11 Cb 0.00 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.27 3h24 h GLU 11 CO 0.00 0.07 -0.66 0.71 -0.73 0.00 0.00 179.01 178.40 3h24 s TYR 12 N -4.32 2.89 -0.18 0.92 1.51 0.61 -5.11 117.35 113.66 3h24 s TYR 12 Ca -0.04 -0.11 -0.01 0.00 -1.01 0.00 0.00 57.07 55.91 3h24 s TYR 12 Cb 0.14 -1.42 0.05 0.00 -0.11 0.00 0.00 41.96 40.62 3h24 s TYR 12 CO 0.56 0.51 -0.03 0.99 -1.11 0.00 0.00 175.55 176.46 3h24 s THR 13 N -1.64 1.07 -0.34 -0.71 2.01 -1.26 -0.55 115.64 114.22 3h24 s THR 13 Ca 0.27 -0.73 -0.12 0.00 0.31 0.00 0.00 61.69 61.42 3h24 s THR 13 Cb -0.10 -1.33 -0.01 0.00 0.01 0.00 0.00 72.50 71.07 3h24 s THR 13 CO 0.19 0.01 0.22 -0.76 -0.69 0.00 0.00 174.62 173.59 3h24 s LEU 14 N 1.63 4.48 0.10 4.42 1.43 -0.36 -4.97 118.68 125.42 3h24 s LEU 14 Ca -0.01 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 52.29 3h24 s LEU 14 Cb -0.16 -2.10 -0.06 0.00 0.03 0.00 0.00 46.19 43.89 3h24 s LEU 14 CO -0.07 -0.25 1.03 0.21 0.23 0.00 0.00 176.35 177.50 3h24 s ASN 15 N 1.69 7.36 0.00 2.29 3.84 -1.26 -1.33 114.94 127.53 3h24 s ASN 15 Ca 0.05 1.88 0.24 0.00 0.21 0.00 0.00 52.86 55.24 3h24 s ASN 15 Cb -0.17 -2.59 0.35 0.00 -0.55 0.00 0.00 41.25 38.29 3h24 s ASN 15 CO 0.09 -0.19 1.35 0.18 -2.79 0.00 0.00 177.10 175.75 3h24 n LEU 16 N 3.00 2.97 -0.01 3.21 4.77 -1.26 -4.26 117.00 125.42 3h24 n LEU 16 Ca 0.04 -1.09 0.03 0.00 -0.03 0.00 0.00 56.01 54.95 3h24 n LEU 16 Cb 0.48 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 3h24 n LEU 16 CO 0.52 0.55 -0.00 0.59 -1.33 0.00 0.00 177.39 177.72 3h24 n ASN 17 N 1.26 0.33 -0.09 -1.43 3.02 -1.26 -4.76 115.26 112.33 3h24 n ASN 17 Ca 0.16 -0.66 -0.23 0.00 -0.03 0.00 0.00 54.58 53.81 3h24 n ASN 17 Cb 0.57 0.96 -0.12 0.00 -0.61 0.00 0.00 39.78 40.59 3h24 n ASN 17 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3h24 n GLU 18 N -1.09 0.63 -3.80 3.52 2.13 -1.26 -4.91 120.64 115.85 3h24 n GLU 18 Ca 0.01 0.37 -0.09 0.00 0.66 0.00 0.00 57.16 58.11 3h24 n GLU 18 Cb 0.10 -1.65 -0.07 0.00 0.27 0.00 0.00 31.44 30.09 3h24 n GLU 18 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 3h24 s LYS 19 N -2.47 0.89 0.12 5.31 -2.85 -1.26 -4.93 119.74 114.54 3h24 s LYS 19 Ca -0.31 -0.87 -0.31 0.00 -1.00 0.00 0.00 55.97 53.48 3h24 s LYS 19 Cb 0.09 0.37 -0.10 0.00 -2.06 0.00 0.00 37.83 36.13 3h24 s LYS 19 CO 0.61 -0.30 1.76 0.99 0.10 0.00 0.00 175.35 178.52 3h24 s THR 20 N -3.75 2.63 0.06 3.79 2.01 -1.26 -4.86 115.64 114.25 3h24 s THR 20 Ca 0.04 0.18 -0.24 0.00 0.31 0.00 0.00 61.69 61.98 3h24 s THR 20 Cb 0.04 -3.11 -0.06 0.00 0.01 0.00 0.00 72.50 69.37 3h24 s THR 20 CO -0.11 0.00 0.73 -0.76 -0.69 0.00 0.00 174.62 173.79 3h24 s LEU 21 N 2.53 4.47 -0.24 4.42 1.43 -0.48 -4.95 118.68 125.86 3h24 s LEU 21 Ca 0.78 1.42 -0.09 0.00 -1.03 0.00 0.00 54.13 55.21 3h24 s LEU 21 Cb -0.45 -3.17 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 3h24 s LEU 21 CO 0.35 0.07 0.11 -0.63 0.23 0.00 0.00 176.35 176.48 3h24 s ILE 22 N -0.30 4.78 -0.19 -0.59 -1.09 -1.26 -1.66 121.20 120.89 3h24 s ILE 22 Ca 0.36 -0.02 -0.06 0.00 -2.23 0.00 0.00 60.65 58.70 3h24 s ILE 22 Cb -0.20 -3.23 -0.03 0.00 -1.58 0.00 0.00 42.46 37.41 3h24 s ILE 22 CO 0.22 0.34 0.03 -0.32 -1.23 0.00 0.00 174.94 173.99 3h24 s MET 23 N 1.32 3.81 -0.18 2.79 -2.45 0.15 -0.25 119.30 124.48 3h24 s MET 23 Ca 0.06 -0.43 -0.16 0.00 -1.25 0.00 0.00 55.69 53.91 3h24 s MET 23 Cb -0.15 -3.15 -0.04 0.00 1.25 0.00 0.00 34.83 32.74 3h24 s MET 23 CO 0.05 0.16 0.42 0.20 1.05 0.00 0.00 175.02 176.89 3h24 s GLY 24 N 0.66 2.16 -0.30 2.11 0.00 0.19 -0.93 107.32 111.21 3h24 s GLY 24 Ca 0.02 -0.43 -0.27 0.00 0.00 0.00 0.00 44.72 44.04 3h24 s GLY 24 CO 0.02 0.80 0.95 -0.42 0.00 0.00 0.00 173.10 174.45 3h24 s ILE 25 N 1.12 4.66 -0.22 0.90 1.01 -0.45 -1.39 121.20 126.83 3h24 s ILE 25 Ca 0.21 1.57 -0.23 0.00 0.00 0.00 0.00 60.65 62.19 3h24 s ILE 25 Cb -0.15 -4.28 -0.01 0.00 0.01 0.00 0.00 42.46 38.03 3h24 s ILE 25 CO 0.08 -0.32 0.74 -0.22 0.00 0.00 0.00 174.94 175.22 3h24 s LEU 26 N 3.27 4.11 -0.38 2.97 2.96 0.11 -4.88 118.68 126.85 3h24 s LEU 26 Ca 0.40 0.95 -0.20 0.00 -0.22 0.00 0.00 54.13 55.05 3h24 s LEU 26 Cb -0.14 -3.06 0.01 0.00 0.50 0.00 0.00 46.19 43.50 3h24 s LEU 26 CO 0.12 -0.40 0.63 0.54 -1.32 0.00 0.00 176.35 175.92 3h24 s ASN 27 N 1.30 6.39 -0.43 3.68 4.22 -1.26 -4.34 114.94 124.50 3h24 s ASN 27 Ca 0.32 0.00 -0.25 0.00 -2.14 0.00 0.00 52.86 50.79 3h24 s ASN 27 Cb -0.16 -2.32 0.02 0.00 1.28 0.00 0.00 41.25 40.07 3h24 s ASN 27 CO 0.09 -0.64 0.91 0.54 -2.04 0.00 0.00 177.10 175.97 3h24 s VAL 28 N 2.72 4.53 -0.54 3.54 0.11 -1.26 -4.85 120.40 124.65 3h24 s VAL 28 Ca 0.24 0.88 -0.11 0.00 -2.93 0.00 0.00 61.98 60.06 3h24 s VAL 28 Cb -0.14 -4.38 0.14 0.00 -1.53 0.00 0.00 36.38 30.46 3h24 s VAL 28 CO 0.16 -0.71 0.44 -0.89 -3.33 0.00 0.00 175.10 170.76 3h24 s THR 29 N 3.61 4.58 0.18 5.04 2.01 -1.26 -5.06 115.64 124.74 3h24 s THR 29 Ca 0.37 -1.88 -0.30 0.00 0.31 0.00 0.00 61.69 60.19 3h24 s THR 29 Cb -0.11 -3.97 -0.08 0.00 0.01 0.00 0.00 72.50 68.36 3h24 s THR 29 CO 0.23 -0.84 1.18 -2.84 -0.69 0.00 0.00 174.62 171.67 3h24 s PRO 30 N 1.19 4.50 0.24 4.92 0.02 -1.26 -4.51 135.00 140.10 3h24 s PRO 30 Ca 0.07 1.85 -0.31 0.00 0.02 0.00 0.00 61.00 62.63 3h24 s PRO 30 Cb -0.25 -3.25 -0.13 0.00 0.02 0.00 0.00 34.50 30.89 3h24 s PRO 30 CO -0.01 -0.07 1.42 -0.25 -0.33 0.00 0.00 177.00 177.76 3h24 n ASP 31 N 2.56 2.83 0.23 2.53 8.00 -1.26 -4.90 116.55 126.53 3h24 n ASP 31 Ca 0.04 1.14 0.12 0.00 0.71 0.00 0.00 54.79 56.81 3h24 n ASP 31 Cb 0.45 -1.44 0.34 0.00 -0.02 0.00 0.00 41.12 40.45 3h24 n ASP 31 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3h24 h SER 32 N 4.27 0.00 0.05 -2.24 0.02 -2.04 -3.30 113.55 110.32 3h24 h SER 32 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3h24 h SER 32 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 3h24 h SER 32 CO 0.76 0.08 -0.49 0.33 -1.14 0.00 0.00 176.83 176.37 3h24 n PHE 33 N -3.15 0.00 -4.39 3.45 7.35 -1.26 -4.92 117.46 114.54 3h24 n PHE 33 Ca 0.02 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.50 3h24 n PHE 33 Cb 0.48 -0.03 -0.09 0.00 0.35 0.00 0.00 39.48 40.19 3h24 n PHE 33 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 3h24 s SER 34 N -2.55 2.06 0.00 -2.13 1.04 -1.24 -5.06 113.70 105.82 3h24 s SER 34 Ca 0.18 -1.65 0.05 0.00 0.48 0.00 0.00 55.95 55.01 3h24 s SER 34 Cb 0.18 0.47 -0.05 0.00 0.10 0.00 0.00 66.02 66.72 3h24 s SER 34 CO 0.60 -0.94 0.21 -0.90 0.98 0.00 0.00 173.24 173.18 3h24 n ASP 35 N -1.22 0.24 0.00 7.02 5.68 -1.26 -4.78 116.55 122.23 3h24 n ASP 35 Ca -0.00 -0.62 0.00 0.00 -0.50 0.00 0.00 54.79 53.67 3h24 n ASP 35 Cb 0.64 0.99 0.00 0.00 -1.14 0.00 0.00 41.12 41.62 3h24 n ASP 35 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h24 n GLY 36 N 1.11 0.57 2.53 6.12 0.00 -1.26 -4.27 105.19 109.99 3h24 n GLY 36 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 3h24 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h24 n GLY 37 N 5.00 4.53 3.87 -0.02 0.00 -1.26 -4.43 105.19 112.90 3h24 n GLY 37 Ca 0.00 -2.32 -0.29 0.00 0.00 0.00 0.00 46.02 43.40 3h24 n GLY 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h24 s SER 38 N -2.67 3.81 0.14 1.61 1.04 -1.26 -4.85 113.70 111.53 3h24 s SER 38 Ca 0.43 0.68 -0.17 0.00 0.48 0.00 0.00 55.95 57.36 3h24 s SER 38 Cb 0.26 -1.06 0.00 0.00 0.10 0.00 0.00 66.02 65.32 3h24 s SER 38 CO -0.09 -2.33 1.78 0.22 0.98 0.00 0.00 173.24 173.80 3h24 h TYR 39 N -1.35 0.34 0.06 5.02 3.20 -1.99 -3.03 116.97 119.21 3h24 h TYR 39 Ca -0.46 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.41 3h24 h TYR 39 Cb 1.30 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.47 3h24 h TYR 39 CO -0.17 0.20 -0.03 -0.91 -1.64 0.00 0.00 178.16 175.62 3h24 h ASN 40 N 0.38 -0.06 -0.40 -2.11 2.35 -1.99 0.82 115.58 114.58 3h24 h ASN 40 Ca 0.13 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3h24 h ASN 40 Cb 0.01 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 3h24 h ASN 40 CO -0.06 0.02 0.23 -0.33 -1.65 0.00 0.00 177.43 175.64 3h24 h GLU 41 N -0.14 0.54 0.02 0.81 5.08 -1.79 -1.41 114.58 117.70 3h24 h GLU 41 Ca -0.01 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 58.06 3h24 h GLU 41 Cb 0.12 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3h24 h GLU 41 CO 0.01 0.42 -0.99 0.28 -1.00 0.00 0.00 179.01 177.73 3h24 h VAL 42 N 0.52 1.40 -0.19 3.13 2.07 -1.39 0.16 116.25 121.95 3h24 h VAL 42 Ca 0.14 -2.50 -0.10 0.00 0.82 0.00 0.00 66.70 65.06 3h24 h VAL 42 Cb 0.02 2.48 -0.00 0.00 -1.52 0.00 0.00 31.29 32.27 3h24 h VAL 42 CO -0.03 0.75 -0.27 -0.78 0.02 0.00 0.00 177.57 177.26 3h24 h ASP 43 N 0.22 0.57 -0.14 0.57 3.58 -0.83 -0.46 116.42 119.94 3h24 h ASP 43 Ca -0.09 -0.51 0.04 0.00 0.42 0.00 0.00 57.03 56.88 3h24 h ASP 43 Cb 1.63 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 42.48 3h24 h ASP 43 CO 0.17 0.98 -0.11 0.00 -2.88 0.00 0.00 179.24 177.40 3h24 h ALA 44 N 0.61 0.00 -0.28 -0.78 0.00 -1.21 0.12 119.26 117.73 3h24 h ALA 44 Ca 0.02 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3h24 h ALA 44 Cb 0.85 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 3h24 h ALA 44 CO 0.06 -0.55 -0.33 0.00 0.00 0.00 0.00 179.25 178.43 3h24 h ALA 45 N 0.99 -0.27 -0.45 0.00 0.00 -0.78 0.10 119.26 118.84 3h24 h ALA 45 Ca 0.09 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3h24 h ALA 45 Cb 0.25 0.67 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 3h24 h ALA 45 CO -0.21 -0.76 0.18 0.28 0.00 0.00 0.00 179.25 178.74 3h24 h VAL 46 N -0.32 0.90 -0.30 0.00 2.07 -0.84 0.53 116.25 118.29 3h24 h VAL 46 Ca 0.14 -0.13 0.07 0.00 0.82 0.00 0.00 66.70 67.60 3h24 h VAL 46 Cb 0.54 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 3h24 h VAL 46 CO -0.46 0.07 -0.19 0.03 0.02 0.00 0.00 177.57 177.04 3h24 h ARG 47 N 0.37 -0.15 -0.75 1.57 3.08 0.01 -0.57 114.38 117.94 3h24 h ARG 47 Ca 0.21 0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.21 3h24 h ARG 47 Cb 0.17 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 3h24 h ARG 47 CO -0.19 -0.10 0.24 1.25 -1.07 0.00 0.00 179.97 180.10 3h24 h HIS 48 N -0.16 1.21 -0.61 3.04 2.76 -0.02 -1.84 115.15 119.54 3h24 h HIS 48 Ca 0.16 -0.12 -0.04 0.00 -2.20 0.00 0.00 60.37 58.17 3h24 h HIS 48 Cb 0.40 -0.35 -0.03 0.00 1.55 0.00 0.00 27.41 28.98 3h24 h HIS 48 CO -0.38 0.95 0.24 0.00 -1.30 0.00 0.00 177.93 177.44 3h24 h ALA 49 N 1.13 1.27 -0.24 5.26 0.00 -0.48 -1.58 119.26 124.63 3h24 h ALA 49 Ca 0.24 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 3h24 h ALA 49 Cb 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3h24 h ALA 49 CO -0.01 0.54 -0.44 0.87 0.00 0.00 0.00 179.25 180.21 3h24 h LYS 50 N 0.88 0.59 -0.48 0.00 1.57 -0.34 -1.59 116.57 117.20 3h24 h LYS 50 Ca 0.21 -0.32 -0.11 0.00 -1.87 0.00 0.00 60.65 58.55 3h24 h LYS 50 Cb 0.18 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3h24 h LYS 50 CO -0.02 0.92 -0.14 1.49 -0.57 0.00 0.00 179.45 181.14 3h24 h GLU 51 N 0.48 0.94 -0.15 3.15 4.81 -0.86 -0.89 114.58 122.06 3h24 h GLU 51 Ca 0.03 -0.37 -0.13 0.00 -0.13 0.00 0.00 59.36 58.76 3h24 h GLU 51 Cb 0.96 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 3h24 h GLU 51 CO 0.09 1.03 -0.47 0.52 -0.73 0.00 0.00 179.01 179.45 3h24 h MET 52 N 0.79 0.37 -0.30 1.92 2.86 -1.13 -1.49 114.93 117.96 3h24 h MET 52 Ca 0.12 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 3h24 h MET 52 Cb 0.70 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 3h24 h MET 52 CO 0.05 0.77 0.10 -0.09 1.06 0.00 0.00 176.91 178.80 3h24 h ARG 53 N 0.30 0.45 0.00 1.72 1.12 -1.05 0.17 114.38 117.10 3h24 h ARG 53 Ca 0.02 -0.09 0.00 0.00 -1.11 0.00 0.00 59.98 58.80 3h24 h ARG 53 Cb 0.94 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.83 3h24 h ARG 53 CO 0.08 0.49 0.00 -0.25 -3.11 0.00 0.00 179.97 177.18 3h24 n ASP 54 N -4.72 0.15 -0.78 -3.80 8.00 -0.36 -2.86 116.55 112.18 3h24 n ASP 54 Ca -0.02 0.54 0.10 0.00 0.71 0.00 0.00 54.79 56.13 3h24 n ASP 54 Cb 0.15 -0.57 0.07 0.00 -0.02 0.00 0.00 41.12 40.75 3h24 n ASP 54 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3h24 n GLU 55 N -1.67 1.85 0.00 -1.24 1.02 -0.61 -4.94 120.64 115.05 3h24 n GLU 55 Ca 0.02 -1.63 0.00 0.00 -0.02 0.00 0.00 57.16 55.54 3h24 n GLU 55 Cb 0.13 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 3h24 n GLU 55 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h24 n GLY 56 N 1.21 1.41 3.78 0.62 0.00 -1.11 -3.88 105.19 107.21 3h24 n GLY 56 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3h24 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h24 s ALA 57 N -2.00 3.17 -0.35 4.61 0.00 -0.01 -4.71 121.76 122.47 3h24 s ALA 57 Ca 0.00 0.68 0.17 0.00 0.00 0.00 0.00 51.96 52.80 3h24 s ALA 57 Cb 0.00 -3.25 -0.22 0.00 0.00 0.00 0.00 23.12 19.64 3h24 s ALA 57 CO 0.00 -0.09 0.51 0.72 0.00 0.00 0.00 175.76 176.90 3h24 n HIS 58 N 0.30 0.00 -3.74 0.00 8.25 0.65 -4.69 115.22 116.00 3h24 n HIS 58 Ca 0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.37 3h24 n HIS 58 Cb 0.49 -0.21 -0.11 0.00 1.12 0.00 0.00 29.99 31.27 3h24 n HIS 58 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h24 s ILE 59 N -2.89 -0.01 -0.31 1.59 1.01 -1.07 -4.21 121.20 115.32 3h24 s ILE 59 Ca -0.01 0.05 -0.12 0.00 0.00 0.00 0.00 60.65 60.57 3h24 s ILE 59 Cb 0.11 -0.48 -0.03 0.00 0.01 0.00 0.00 42.46 42.07 3h24 s ILE 59 CO 0.68 0.02 0.22 -0.63 0.00 0.00 0.00 174.94 175.23 3h24 s ILE 60 N 0.64 5.30 -0.20 2.92 -1.09 -0.81 -0.64 121.20 127.32 3h24 s ILE 60 Ca -0.04 -0.02 -0.18 0.00 -2.23 0.00 0.00 60.65 58.18 3h24 s ILE 60 Cb -0.05 -3.62 -0.03 0.00 -1.58 0.00 0.00 42.46 37.17 3h24 s ILE 60 CO -0.04 0.12 0.49 -0.62 -1.23 0.00 0.00 174.94 173.66 3h24 s ASP 61 N 1.74 6.54 -0.17 3.58 -1.08 -0.49 -0.27 116.67 126.52 3h24 s ASP 61 Ca 0.07 0.64 -0.00 0.00 -0.52 0.00 0.00 52.55 52.74 3h24 s ASP 61 Cb -0.17 -2.28 0.04 0.00 -1.46 0.00 0.00 42.92 39.06 3h24 s ASP 61 CO 0.11 -0.15 -0.05 -0.63 0.52 0.00 0.00 175.17 174.97 3h24 s ILE 62 N 1.51 1.14 -0.05 4.11 1.01 -0.66 0.07 121.20 128.33 3h24 s ILE 62 Ca 0.23 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 60.22 3h24 s ILE 62 Cb -0.15 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 40.98 3h24 s ILE 62 CO 0.09 0.09 -0.17 -0.83 0.00 0.00 0.00 174.94 174.13 3h24 s GLY 63 N 1.61 0.93 -0.05 6.18 0.00 -1.26 -1.33 107.32 113.40 3h24 s GLY 63 Ca -0.00 -0.65 0.15 0.00 0.00 0.00 0.00 44.72 44.23 3h24 s GLY 63 CO -0.08 -0.23 0.56 0.61 0.00 0.00 0.00 173.10 173.97 3h24 n GLY 64 N 3.35 -1.05 0.55 0.20 0.00 -1.26 -4.62 105.19 102.37 3h24 n GLY 64 Ca -0.19 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 3h24 n GLY 64 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3h24 n GLU 65 N -2.90 0.28 -0.83 1.61 0.00 -1.26 -4.99 120.64 112.55 3h24 n GLU 65 Ca -0.18 0.11 -0.33 0.00 0.00 0.00 0.00 57.16 56.77 3h24 n GLU 65 Cb 1.00 -0.99 0.09 0.00 0.00 0.00 0.00 31.44 31.54 3h24 n GLU 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 3h24 n SER 66 N -3.93 -2.71 0.00 -1.84 7.64 -1.26 -4.90 113.62 106.62 3h24 n SER 66 Ca -0.11 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.69 3h24 n SER 66 Cb 0.35 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 3h24 n SER 66 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3h24 n THR 67 N -3.89 0.00 0.00 0.44 -1.04 -1.26 -5.14 114.28 103.39 3h24 n THR 67 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3h24 n THR 67 Cb 0.63 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.14 3h24 n THR 67 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3h24 n VAL 74 N 0.00 0.00 -3.46 12.58 0.31 -1.26 -5.28 118.33 121.22 3h24 n VAL 74 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3h24 n VAL 74 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3h24 n VAL 74 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3h24 n SER 75 N 0.00 1.78 -0.12 4.52 3.41 -1.26 -5.07 113.62 116.88 3h24 n SER 75 Ca 0.00 -0.57 -0.23 0.00 -0.26 0.00 0.00 58.87 57.81 3h24 n SER 75 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 3h24 n SER 75 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3h24 n VAL 76 N -0.06 1.52 -0.23 -3.33 0.31 -1.26 -3.94 118.33 111.33 3h24 n VAL 76 Ca 0.00 -0.20 0.03 0.00 -0.01 0.00 0.00 64.34 64.15 3h24 n VAL 76 Cb 0.00 -2.04 0.15 0.00 -0.91 0.00 0.00 33.84 31.03 3h24 n VAL 76 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3h24 h GLU 77 N -1.00 0.39 -0.43 5.55 4.39 -2.01 -2.34 114.58 119.13 3h24 h GLU 77 Ca -0.46 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.12 3h24 h GLU 77 Cb 1.40 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.95 3h24 h GLU 77 CO -0.28 0.26 -0.13 0.93 -1.16 0.00 0.00 179.01 178.63 3h24 h GLU 78 N 0.40 0.79 -0.67 2.33 5.08 -1.94 -2.61 114.58 117.96 3h24 h GLU 78 Ca 0.36 -0.27 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 3h24 h GLU 78 Cb 0.51 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 3h24 h GLU 78 CO -0.37 0.88 0.39 0.93 -1.00 0.00 0.00 179.01 179.84 3h24 h GLU 79 N 0.71 0.72 0.55 2.33 5.08 -1.54 -1.87 114.58 120.55 3h24 h GLU 79 Ca 0.12 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3h24 h GLU 79 Cb 0.61 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.71 3h24 h GLU 79 CO 0.04 0.47 -0.26 0.82 -1.00 0.00 0.00 179.01 179.08 3h24 h ILE 80 N 0.74 0.07 -1.25 3.13 2.04 -1.47 0.23 117.51 120.99 3h24 h ILE 80 Ca 0.29 -0.46 0.36 0.00 1.00 0.00 0.00 64.86 66.05 3h24 h ILE 80 Cb 0.13 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.26 3h24 h ILE 80 CO -0.16 0.01 0.97 0.11 0.00 0.00 0.00 178.15 179.09 3h24 h LYS 81 N -1.17 0.00 0.00 2.37 1.57 -1.43 0.68 116.57 118.59 3h24 h LYS 81 Ca -0.08 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.40 3h24 h LYS 81 Cb 0.59 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 3h24 h LYS 81 CO 0.12 0.00 -2.20 -2.13 -0.57 0.00 0.00 179.45 174.67 3h24 n ARG 82 N -3.96 0.67 0.05 3.15 0.63 -0.71 -4.04 116.66 112.45 3h24 n ARG 82 Ca 0.27 0.02 -0.19 0.00 -0.92 0.00 0.00 57.85 57.04 3h24 n ARG 82 Cb 1.38 -1.57 -0.14 0.00 0.45 0.00 0.00 32.46 32.57 3h24 n ARG 82 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3h24 h VAL 83 N 0.00 0.97 0.09 5.15 2.07 0.98 -3.39 116.25 122.12 3h24 h VAL 83 Ca -0.43 -2.62 -0.00 0.00 0.82 0.00 0.00 66.70 64.46 3h24 h VAL 83 Cb 2.04 2.69 -0.00 0.00 -1.52 0.00 0.00 31.29 34.50 3h24 h VAL 83 CO 0.03 0.82 -0.05 0.58 0.02 0.00 0.00 177.57 178.97 3h24 h VAL 84 N 0.08 0.90 -0.57 2.57 2.07 0.09 -2.47 116.25 118.92 3h24 h VAL 84 Ca -0.31 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.27 3h24 h VAL 84 Cb 2.05 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.68 3h24 h VAL 84 CO 0.15 0.00 0.38 -0.65 0.02 0.00 0.00 177.57 177.47 3h24 h PRO 85 N -0.13 0.54 -0.42 1.57 0.11 -1.78 -2.32 132.00 129.57 3h24 h PRO 85 Ca -0.01 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.97 3h24 h PRO 85 Cb 0.10 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 3h24 h PRO 85 CO 0.01 0.36 -0.10 0.52 -0.21 0.00 0.00 178.00 178.58 3h24 h MET 86 N 0.56 0.82 -0.83 1.05 2.86 -1.69 -2.39 114.93 115.31 3h24 h MET 86 Ca 0.24 -0.31 0.04 0.00 -2.06 0.00 0.00 59.70 57.61 3h24 h MET 86 Cb 0.25 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.81 3h24 h MET 86 CO -0.07 0.93 0.52 0.82 1.06 0.00 0.00 176.91 180.18 3h24 h ILE 87 N 0.64 1.11 -0.01 -1.22 2.04 -1.20 -1.94 117.51 116.93 3h24 h ILE 87 Ca 0.11 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.65 3h24 h ILE 87 Cb 0.63 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 3h24 h ILE 87 CO 0.04 0.18 -0.15 1.56 0.00 0.00 0.00 178.15 179.78 3h24 h GLN 88 N 1.01 -0.24 -0.38 2.37 4.20 -1.32 -0.68 115.11 120.07 3h24 h GLN 88 Ca 0.34 0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.94 3h24 h GLN 88 Cb 0.04 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3h24 h GLN 88 CO -0.13 -0.16 -0.22 0.00 -0.67 0.00 0.00 178.83 177.65 3h24 h ALA 89 N 0.70 0.54 -0.06 3.87 0.00 -1.29 -1.93 119.26 121.09 3h24 h ALA 89 Ca 0.05 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 3h24 h ALA 89 Cb 0.32 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.99 3h24 h ALA 89 CO -0.15 0.51 -0.45 0.28 0.00 0.00 0.00 179.25 179.44 3h24 h VAL 90 N 0.62 1.41 -0.92 0.00 2.07 -1.32 0.44 116.25 118.55 3h24 h VAL 90 Ca 0.08 -1.86 0.11 0.00 0.82 0.00 0.00 66.70 65.85 3h24 h VAL 90 Cb 0.78 2.38 -0.13 0.00 -1.52 0.00 0.00 31.29 32.81 3h24 h VAL 90 CO 0.06 0.54 -0.46 -0.24 0.02 0.00 0.00 177.57 177.50 3h24 n SER 91 N -4.32 -0.80 0.09 0.57 2.88 -0.27 0.85 113.62 112.62 3h24 n SER 91 Ca -0.09 1.62 -0.05 0.00 -1.33 0.00 0.00 58.87 59.02 3h24 n SER 91 Cb 0.58 -0.28 0.11 0.00 -0.75 0.00 0.00 64.21 63.86 3h24 n SER 91 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3h24 h LYS 92 N 0.00 0.22 0.00 -1.46 3.64 -0.91 -3.35 116.57 114.70 3h24 h LYS 92 Ca 0.22 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3h24 h LYS 92 Cb 0.45 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3h24 h LYS 92 CO -0.88 0.78 -1.73 0.39 -2.27 0.00 0.00 179.45 175.74 3h24 n GLU 93 N -3.84 0.59 -4.07 1.90 1.02 0.15 -4.85 120.64 111.53 3h24 n GLU 93 Ca -0.02 -0.15 -0.32 0.00 -0.02 0.00 0.00 57.16 56.65 3h24 n GLU 93 Cb 0.64 -1.47 -0.16 0.00 -0.02 0.00 0.00 31.44 30.43 3h24 n GLU 93 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h24 s VAL 94 N -3.30 1.89 -1.26 2.62 1.01 0.25 -5.05 120.40 116.56 3h24 s VAL 94 Ca -0.04 -0.95 -0.16 0.00 0.00 0.00 0.00 61.98 60.83 3h24 s VAL 94 Cb 0.13 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 3h24 s VAL 94 CO 0.84 0.41 2.17 0.29 0.00 0.00 0.00 175.10 178.81 3h24 n LYS 95 N 4.65 2.49 -3.71 2.72 5.02 -1.26 -4.43 118.16 123.64 3h24 n LYS 95 Ca -0.18 -2.34 -0.14 0.00 -2.02 0.00 0.00 58.31 53.62 3h24 n LYS 95 Cb 0.49 -3.15 -0.08 0.00 -0.02 0.00 0.00 35.03 32.27 3h24 n LYS 95 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h24 s LEU 96 N 1.77 0.51 0.51 -0.35 1.43 -1.26 -5.13 118.68 116.16 3h24 s LEU 96 Ca 0.51 0.33 -0.23 0.00 -1.03 0.00 0.00 54.13 53.71 3h24 s LEU 96 Cb 0.14 1.52 -0.06 0.00 0.03 0.00 0.00 46.19 47.82 3h24 s LEU 96 CO -0.03 -0.42 1.39 -0.81 0.23 0.00 0.00 176.35 176.72 3h24 n PRO 97 N 1.50 1.92 -4.73 1.29 -0.04 -1.26 -4.80 135.00 128.88 3h24 n PRO 97 Ca -0.20 0.69 -0.33 0.00 -0.04 0.00 0.00 63.50 63.63 3h24 n PRO 97 Cb 0.56 -2.61 -0.13 0.00 -0.04 0.00 0.00 33.50 31.29 3h24 n PRO 97 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3h24 s ILE 98 N -1.25 3.30 0.22 0.52 1.01 -1.26 -1.92 121.20 121.81 3h24 s ILE 98 Ca 0.68 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 60.78 3h24 s ILE 98 Cb -0.43 -2.36 -0.03 0.00 0.01 0.00 0.00 42.46 39.64 3h24 s ILE 98 CO 0.52 0.55 0.23 -0.94 0.00 0.00 0.00 174.94 175.30 3h24 s SER 99 N -0.16 5.81 -0.04 3.58 1.04 0.63 0.57 113.70 125.13 3h24 s SER 99 Ca 0.00 -0.10 0.06 0.00 0.48 0.00 0.00 55.95 56.39 3h24 s SER 99 Cb -0.13 -1.58 -0.01 0.00 0.10 0.00 0.00 66.02 64.40 3h24 s SER 99 CO 0.03 -0.01 -0.20 -0.51 0.98 0.00 0.00 173.24 173.53 3h24 s ILE 100 N -1.96 1.65 -0.81 -1.02 1.10 -0.76 -1.65 121.20 117.75 3h24 s ILE 100 Ca 0.33 -0.86 -0.01 0.00 -0.51 0.00 0.00 60.65 59.59 3h24 s ILE 100 Cb -0.09 -1.40 0.20 0.00 0.15 0.00 0.00 42.46 41.32 3h24 s ILE 100 CO 0.26 0.47 0.67 -0.62 -2.11 0.00 0.00 174.94 173.61 3h24 s ASP 101 N -0.21 5.69 0.09 4.50 3.68 -0.44 -0.20 116.67 129.77 3h24 s ASP 101 Ca 0.01 -3.54 -0.13 0.00 2.13 0.00 0.00 52.55 51.02 3h24 s ASP 101 Cb -0.11 -1.87 0.02 0.00 -1.45 0.00 0.00 42.92 39.52 3h24 s ASP 101 CO 0.01 -0.22 0.30 0.28 0.13 0.00 0.00 175.17 175.68 3h24 s THR 102 N -1.06 0.10 -0.38 1.71 -1.32 -0.85 -4.37 115.64 109.46 3h24 s THR 102 Ca 0.25 -0.80 0.09 0.00 -1.21 0.00 0.00 61.69 60.02 3h24 s THR 102 Cb -0.10 -1.15 0.23 0.00 -1.51 0.00 0.00 72.50 69.97 3h24 s THR 102 CO -0.11 -0.44 1.17 0.00 -2.21 0.00 0.00 174.62 173.04 3h24 n TYR 103 N 0.10 0.31 -4.19 9.09 0.18 -1.26 -3.95 117.16 117.43 3h24 n TYR 103 Ca -0.17 -0.62 -0.34 0.00 1.88 0.00 0.00 57.90 58.65 3h24 n TYR 103 Cb 0.62 -0.09 -0.12 0.00 -0.38 0.00 0.00 39.34 39.36 3h24 n TYR 103 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3h24 s LYS 104 N -1.52 3.68 0.15 -3.48 1.02 -1.26 -4.02 119.74 114.30 3h24 s LYS 104 Ca 0.19 -0.50 -0.14 0.00 0.02 0.00 0.00 55.97 55.54 3h24 s LYS 104 Cb 0.13 -3.03 0.03 0.00 -0.52 0.00 0.00 37.83 34.44 3h24 s LYS 104 CO 0.07 0.13 1.71 0.00 -0.92 0.00 0.00 175.35 176.34 3h24 h ALA 105 N 7.11 0.62 -0.60 5.17 0.00 -1.92 -0.43 119.26 129.22 3h24 h ALA 105 Ca -0.34 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3h24 h ALA 105 Cb 1.18 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3h24 h ALA 105 CO 0.63 0.22 0.38 1.49 0.00 0.00 0.00 179.25 181.96 3h24 h GLU 106 N 0.64 0.80 0.36 0.00 4.57 -1.96 -1.44 114.58 117.54 3h24 h GLU 106 Ca 0.16 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 3h24 h GLU 106 Cb 0.18 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3h24 h GLU 106 CO -0.02 0.56 -0.17 0.28 -1.18 0.00 0.00 179.01 178.48 3h24 h VAL 107 N 0.81 0.66 -0.64 0.32 2.07 -1.81 -1.16 116.25 116.50 3h24 h VAL 107 Ca 0.22 -0.34 0.09 0.00 0.82 0.00 0.00 66.70 67.49 3h24 h VAL 107 Cb -0.05 0.83 -0.11 0.00 -1.52 0.00 0.00 31.29 30.44 3h24 h VAL 107 CO -0.04 0.07 -0.44 0.00 0.02 0.00 0.00 177.57 177.17 3h24 h ALA 108 N -0.10 -0.30 -0.43 1.67 0.00 -0.99 -1.34 119.26 117.78 3h24 h ALA 108 Ca -0.05 0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.06 3h24 h ALA 108 Cb 0.47 0.99 -0.09 0.00 0.00 0.00 0.00 17.79 19.16 3h24 h ALA 108 CO 0.08 -0.82 -0.37 -0.22 0.00 0.00 0.00 179.25 177.92 3h24 h LYS 109 N -0.20 -0.26 -0.08 0.00 3.64 -0.74 -0.49 116.57 118.45 3h24 h LYS 109 Ca 0.19 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.53 3h24 h LYS 109 Cb 0.56 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 3h24 h LYS 109 CO -0.73 -0.17 -0.24 1.96 -2.27 0.00 0.00 179.45 178.00 3h24 h GLN 110 N -0.27 0.14 -0.15 1.90 4.20 -0.34 -0.93 115.11 119.67 3h24 h GLN 110 Ca 0.17 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 3h24 h GLN 110 Cb 0.56 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3h24 h GLN 110 CO -0.57 0.38 0.01 0.00 -0.67 0.00 0.00 178.83 177.98 3h24 h ALA 111 N 1.63 0.20 -0.55 3.87 0.00 -0.13 0.95 119.26 125.22 3h24 h ALA 111 Ca 0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3h24 h ALA 111 Cb 0.50 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3h24 h ALA 111 CO 0.03 -0.12 0.22 0.82 0.00 0.00 0.00 179.25 180.20 3h24 h ILE 112 N 0.01 1.22 0.00 0.00 5.03 -0.40 0.52 117.51 123.89 3h24 h ILE 112 Ca 0.04 -0.69 -0.00 0.00 -0.12 0.00 0.00 64.86 64.09 3h24 h ILE 112 Cb 0.34 0.64 -0.00 0.00 -3.03 0.00 0.00 36.82 34.77 3h24 h ILE 112 CO 0.01 0.27 -0.01 -0.33 -0.68 0.00 0.00 178.15 177.40 3h24 h GLU 113 N 0.76 0.00 -0.37 2.37 5.08 -0.92 0.48 114.58 121.97 3h24 h GLU 113 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3h24 h GLU 113 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3h24 h GLU 113 CO -0.01 0.01 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 3h24 n ALA 114 N -2.12 2.53 0.00 3.43 0.00 0.31 -4.92 120.51 119.75 3h24 n ALA 114 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.86 3h24 n ALA 114 Cb 0.15 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3h24 n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h24 n GLY 115 N 0.88 1.93 3.76 0.00 0.00 0.17 -3.78 105.19 108.15 3h24 n GLY 115 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 3h24 n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h24 s ALA 116 N -2.37 2.95 -0.04 4.61 0.00 0.06 -4.72 121.76 122.26 3h24 s ALA 116 Ca 0.00 1.13 0.09 0.00 0.00 0.00 0.00 51.96 53.17 3h24 s ALA 116 Cb 0.00 -3.47 -0.13 0.00 0.00 0.00 0.00 23.12 19.52 3h24 s ALA 116 CO 0.00 -0.95 0.14 0.72 0.00 0.00 0.00 175.76 175.67 3h24 n HIS 117 N -0.61 0.00 -4.55 0.00 -0.00 0.19 -4.34 115.22 105.92 3h24 n HIS 117 Ca 0.08 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.57 3h24 n HIS 117 Cb 0.46 -0.28 -0.14 0.00 -0.00 0.00 0.00 29.99 30.03 3h24 n HIS 117 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3h24 s ILE 118 N -2.49 1.34 -0.06 1.59 1.01 -0.78 -3.98 121.20 117.83 3h24 s ILE 118 Ca -0.04 -0.99 -0.04 0.00 0.00 0.00 0.00 60.65 59.58 3h24 s ILE 118 Cb 0.05 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 3h24 s ILE 118 CO 0.37 0.16 0.15 -0.63 0.00 0.00 0.00 174.94 174.99 3h24 s ILE 119 N -0.72 5.38 -0.43 2.92 1.01 0.21 -1.84 121.20 127.75 3h24 s ILE 119 Ca 0.05 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.72 3h24 s ILE 119 Cb -0.08 -3.43 0.12 0.00 0.01 0.00 0.00 42.46 39.08 3h24 s ILE 119 CO 0.01 0.47 0.16 0.21 0.00 0.00 0.00 174.94 175.79 3h24 s ASN 120 N -1.48 4.46 -0.36 3.58 2.47 0.72 0.47 114.94 124.80 3h24 s ASN 120 Ca 0.21 -2.56 -0.08 0.00 0.42 0.00 0.00 52.86 50.85 3h24 s ASN 120 Cb -0.12 -1.57 0.04 0.00 -1.45 0.00 0.00 41.25 38.15 3h24 s ASN 120 CO 0.11 -0.31 0.15 -0.62 -3.72 0.00 0.00 177.10 172.72 3h24 s ASP 121 N 0.34 5.45 0.00 -4.21 3.68 -0.72 -2.01 116.67 119.20 3h24 s ASP 121 Ca 0.14 -1.18 0.16 0.00 2.13 0.00 0.00 52.55 53.80 3h24 s ASP 121 Cb -0.22 -1.92 0.77 0.00 -1.45 0.00 0.00 42.92 40.10 3h24 s ASP 121 CO -0.05 -0.37 1.47 2.30 0.13 0.00 0.00 175.17 178.65 3h24 n ILE 122 N 4.86 0.63 0.31 4.11 -5.35 -1.26 -1.45 119.36 121.21 3h24 n ILE 122 Ca -0.12 0.16 0.06 0.00 -0.27 0.00 0.00 62.75 62.58 3h24 n ILE 122 Cb 0.45 -0.89 0.09 0.00 -1.74 0.00 0.00 39.64 37.54 3h24 n ILE 122 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3h24 n TRP 123 N -1.33 0.16 -3.82 4.28 7.02 -1.26 -4.47 117.44 118.02 3h24 n TRP 123 Ca 0.07 -0.15 -0.27 0.00 -1.02 0.00 0.00 57.50 56.12 3h24 n TRP 123 Cb 0.14 -0.01 0.03 0.00 -2.42 0.00 0.00 31.31 29.06 3h24 n TRP 123 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3h24 n GLY 124 N 0.70 -0.44 3.24 6.99 0.00 -0.53 -1.27 105.19 113.88 3h24 n GLY 124 Ca 0.09 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3h24 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h24 n ALA 125 N -4.60 0.00 0.13 4.61 0.00 -1.26 -4.54 120.51 114.85 3h24 n ALA 125 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.13 3h24 n ALA 125 Cb 0.57 -0.27 -0.16 0.00 0.00 0.00 0.00 19.45 19.60 3h24 n ALA 125 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3h24 h LYS 126 N 2.17 0.51 -0.04 0.00 1.57 -1.58 -3.02 116.57 116.18 3h24 h LYS 126 Ca 0.00 -0.88 0.00 0.00 -1.87 0.00 0.00 60.65 57.90 3h24 h LYS 126 Cb 0.01 0.33 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 3h24 h LYS 126 CO 0.00 1.42 -0.02 0.00 -0.57 0.00 0.00 179.45 180.28 3h24 n ALA 127 N -2.75 -0.03 -3.34 3.86 0.00 -1.24 -4.34 120.51 112.68 3h24 n ALA 127 Ca -0.18 0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.16 3h24 n ALA 127 Cb 1.10 0.26 -0.07 0.00 0.00 0.00 0.00 19.45 20.73 3h24 n ALA 127 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3h24 s GLU 128 N -3.16 0.53 0.48 0.00 2.02 -1.26 -5.04 118.70 112.27 3h24 s GLU 128 Ca -0.00 -0.40 0.16 0.00 0.02 0.00 0.00 54.97 54.75 3h24 s GLU 128 Cb 0.00 -0.52 1.16 0.00 0.10 0.00 0.00 34.13 34.87 3h24 s GLU 128 CO 0.03 -1.12 2.03 -1.35 0.02 0.00 0.00 175.26 174.87 3h24 h PRO 129 N 7.59 0.22 -1.18 0.39 0.11 -1.72 0.34 132.00 137.74 3h24 h PRO 129 Ca -0.02 -0.01 0.34 0.00 0.11 0.00 0.00 66.00 66.42 3h24 h PRO 129 Cb 1.09 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.10 3h24 h PRO 129 CO 0.23 0.15 1.00 0.87 -0.21 0.00 0.00 178.00 180.04 3h24 h LYS 130 N 0.23 0.00 -1.01 1.05 1.57 -1.96 -0.16 116.57 116.29 3h24 h LYS 130 Ca 0.19 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 59.09 3h24 h LYS 130 Cb 0.46 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.68 3h24 h LYS 130 CO -0.03 0.00 0.63 0.97 -0.57 0.00 0.00 179.45 180.45 3h24 h ILE 131 N 0.00 0.90 -0.27 1.86 -0.00 -0.67 -0.61 117.51 118.72 3h24 h ILE 131 Ca 0.56 -0.34 -0.15 0.00 -0.00 0.00 0.00 64.86 64.94 3h24 h ILE 131 Cb 2.55 -0.16 -0.01 0.00 -0.00 0.00 0.00 36.82 39.20 3h24 h ILE 131 CO -0.01 0.18 -0.43 0.00 -0.00 0.00 0.00 178.15 177.90 3h24 h ALA 132 N 1.55 0.75 -0.31 0.18 0.00 -1.22 0.25 119.26 120.46 3h24 h ALA 132 Ca 0.51 -0.46 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3h24 h ALA 132 Cb 0.52 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3h24 h ALA 132 CO -0.27 0.66 0.08 0.93 0.00 0.00 0.00 179.25 180.65 3h24 h GLU 133 N 0.54 0.20 -0.05 0.00 5.08 -1.22 -0.31 114.58 118.81 3h24 h GLU 133 Ca 0.04 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3h24 h GLU 133 Cb 0.96 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.10 3h24 h GLU 133 CO 0.09 0.13 -0.39 0.28 -1.00 0.00 0.00 179.01 178.12 3h24 h VAL 134 N 0.21 0.19 -0.98 3.13 2.07 -0.47 -0.21 116.25 120.19 3h24 h VAL 134 Ca 0.14 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.98 3h24 h VAL 134 Cb 0.13 0.19 -0.17 0.00 -1.52 0.00 0.00 31.29 29.92 3h24 h VAL 134 CO -0.16 0.00 0.26 0.00 0.02 0.00 0.00 177.57 177.69 3h24 h ALA 135 N 0.12 1.57 0.25 1.67 0.00 0.14 -2.00 119.26 121.01 3h24 h ALA 135 Ca 0.06 0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 3h24 h ALA 135 Cb 0.62 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3h24 h ALA 135 CO -0.34 -0.69 -0.12 0.00 0.00 0.00 0.00 179.25 178.11 3h24 h ALA 136 N 1.95 -0.33 -0.43 0.00 0.00 0.04 0.05 119.26 120.54 3h24 h ALA 136 Ca 0.69 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.56 3h24 h ALA 136 Cb 1.58 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 19.42 3h24 h ALA 136 CO -0.81 -0.33 -0.09 1.58 0.00 0.00 0.00 179.25 179.59 3h24 n HIS 137 N -4.99 0.17 1.00 0.00 -0.00 -0.20 -0.75 115.22 110.45 3h24 n HIS 137 Ca -0.05 0.52 0.10 0.00 0.46 0.00 0.00 57.72 58.75 3h24 n HIS 137 Cb 0.18 -0.76 -0.06 0.00 -0.12 0.00 0.00 29.99 29.23 3h24 n HIS 137 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 3h24 n TYR 138 N -4.67 0.00 -2.19 1.57 4.01 -0.80 -4.98 117.16 110.09 3h24 n TYR 138 Ca 0.07 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.71 3h24 n TYR 138 Cb 0.23 -0.03 -0.00 0.00 -0.31 0.00 0.00 39.34 39.22 3h24 n TYR 138 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3h24 n ASP 139 N -1.43 -3.32 -4.90 7.72 2.03 0.08 -5.00 116.55 111.72 3h24 n ASP 139 Ca 0.04 -0.01 -0.29 0.00 0.52 0.00 0.00 54.79 55.05 3h24 n ASP 139 Cb 0.34 -2.58 -0.04 0.00 -0.72 0.00 0.00 41.12 38.12 3h24 n ASP 139 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3h24 s VAL 140 N -2.49 5.06 0.43 5.18 -7.23 -0.96 -4.96 120.40 115.42 3h24 s VAL 140 Ca 0.00 0.03 -0.24 0.00 -1.81 0.00 0.00 61.98 59.96 3h24 s VAL 140 Cb -0.00 -3.71 -0.08 0.00 0.56 0.00 0.00 36.38 33.15 3h24 s VAL 140 CO 0.00 -0.23 1.22 -2.84 -0.31 0.00 0.00 175.10 172.94 3h24 s PRO 141 N -3.32 3.88 -0.08 4.82 0.02 -1.26 -4.81 135.00 134.25 3h24 s PRO 141 Ca 0.43 1.93 0.03 0.00 0.02 0.00 0.00 61.00 63.41 3h24 s PRO 141 Cb -0.11 -2.59 0.01 0.00 0.02 0.00 0.00 34.50 31.83 3h24 s PRO 141 CO 0.28 -0.50 -0.15 -1.50 -0.33 0.00 0.00 177.00 174.80 3h24 s ILE 142 N -1.40 1.40 -0.30 2.83 2.07 0.23 -0.61 121.20 125.41 3h24 s ILE 142 Ca 0.60 -0.63 -0.18 0.00 -1.41 0.00 0.00 60.65 59.03 3h24 s ILE 142 Cb -0.33 -1.26 -0.02 0.00 0.13 0.00 0.00 42.46 40.99 3h24 s ILE 142 CO 0.41 0.41 0.53 -0.63 -1.91 0.00 0.00 174.94 173.75 3h24 s ILE 143 N 0.64 5.03 -0.39 2.00 1.01 0.18 -1.75 121.20 127.91 3h24 s ILE 143 Ca -0.14 0.66 -0.15 0.00 0.00 0.00 0.00 60.65 61.01 3h24 s ILE 143 Cb -0.16 -3.91 0.01 0.00 0.01 0.00 0.00 42.46 38.41 3h24 s ILE 143 CO 0.04 -0.07 0.34 -0.76 0.00 0.00 0.00 174.94 174.49 3h24 s LEU 144 N 2.39 4.84 -0.06 2.97 1.43 0.59 -1.76 118.68 129.09 3h24 s LEU 144 Ca 0.21 -0.65 -0.12 0.00 -1.03 0.00 0.00 54.13 52.53 3h24 s LEU 144 Cb -0.15 -2.25 -0.05 0.00 0.03 0.00 0.00 46.19 43.77 3h24 s LEU 144 CO 0.11 -0.43 0.31 -0.32 0.23 0.00 0.00 176.35 176.25 3h24 s MET 145 N 1.87 3.80 0.19 1.70 1.75 -1.15 -1.50 119.30 125.95 3h24 s MET 145 Ca 0.08 0.21 -0.32 0.00 -1.25 0.00 0.00 55.69 54.41 3h24 s MET 145 Cb -0.18 -3.23 -0.11 0.00 2.84 0.00 0.00 34.83 34.15 3h24 s MET 145 CO 0.11 0.67 1.65 -1.58 -0.65 0.00 0.00 175.02 175.23 3h24 s HIS 146 N -0.89 2.97 0.19 4.11 2.46 0.70 -3.43 115.29 121.40 3h24 s HIS 146 Ca 0.20 0.47 -0.24 0.00 0.47 0.00 0.00 55.06 55.97 3h24 s HIS 146 Cb -0.15 -4.05 0.05 0.00 -0.13 0.00 0.00 32.58 28.31 3h24 s HIS 146 CO 0.09 -3.92 0.80 1.21 -2.47 0.00 0.00 174.74 170.45 3h24 s ASN 147 N 1.16 -0.30 -0.00 9.88 3.84 -1.26 -4.07 114.94 124.18 3h24 s ASN 147 Ca 0.73 -0.37 -0.30 0.00 0.21 0.00 0.00 52.86 53.13 3h24 s ASN 147 Cb -0.47 0.59 0.11 0.00 -0.55 0.00 0.00 41.25 40.92 3h24 s ASN 147 CO 0.32 -1.06 1.12 0.00 -2.79 0.00 0.00 177.10 174.69 3h24 s ARG 148 N -3.59 0.67 -0.29 0.43 1.70 -1.26 -5.04 118.95 111.56 3h24 s ARG 148 Ca 0.09 -0.33 0.11 0.00 -0.47 0.00 0.00 55.73 55.13 3h24 s ARG 148 Cb -0.03 0.25 0.69 0.00 -0.57 0.00 0.00 34.95 35.29 3h24 s ARG 148 CO 0.00 -0.30 1.71 -0.40 -1.08 0.00 0.00 175.30 175.23 3h24 n ASP 149 N -0.37 4.51 -1.29 -2.89 5.75 -1.26 -4.66 116.55 116.33 3h24 n ASP 149 Ca -0.06 -3.23 -0.02 0.00 -0.01 0.00 0.00 54.79 51.47 3h24 n ASP 149 Cb 0.61 -0.70 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 3h24 n ASP 149 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 3h24 n ASN 150 N -0.27 -0.35 -1.84 -1.12 0.23 -1.26 -5.09 115.26 105.55 3h24 n ASN 150 Ca 0.36 -1.26 -0.04 0.00 -0.53 0.00 0.00 54.58 53.10 3h24 n ASN 150 Cb 1.26 0.59 0.03 0.00 -2.08 0.00 0.00 39.78 39.58 3h24 n ASN 150 CO 0.00 0.00 0.00 1.15 -0.93 0.00 0.00 177.26 177.48 3h24 n MET 151 N -0.09 0.69 -3.14 -3.83 0.00 -1.26 -4.87 117.12 104.61 3h24 n MET 151 Ca -0.01 -1.12 -0.42 0.00 0.00 0.00 0.00 57.70 56.14 3h24 n MET 151 Cb 0.10 0.45 -0.07 0.00 0.00 0.00 0.00 33.22 33.70 3h24 n MET 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3h24 s ASN 152 N -1.09 6.37 -0.08 3.17 4.22 -1.26 -5.00 114.94 121.27 3h24 s ASN 152 Ca 0.05 -0.04 0.03 0.00 -2.14 0.00 0.00 52.86 50.76 3h24 s ASN 152 Cb 0.23 -2.31 -0.02 0.00 1.28 0.00 0.00 41.25 40.43 3h24 s ASN 152 CO -0.07 -0.62 -0.17 -0.31 -2.04 0.00 0.00 177.10 173.90 3h24 s TYR 153 N 2.66 2.67 0.03 1.54 1.51 -1.26 -4.99 117.35 119.50 3h24 s TYR 153 Ca 0.22 -0.50 -0.26 0.00 -1.01 0.00 0.00 57.07 55.52 3h24 s TYR 153 Cb -0.15 -1.70 -0.17 0.00 -0.11 0.00 0.00 41.96 39.84 3h24 s TYR 153 CO 0.16 -0.08 1.39 -0.09 -1.11 0.00 0.00 175.55 175.82 3h24 h ARG 154 N 6.04 -0.40 -1.64 -0.62 2.43 -2.02 -3.44 114.38 114.73 3h24 h ARG 154 Ca -0.35 0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 58.73 3h24 h ARG 154 Cb 1.18 0.09 -0.27 0.00 -0.42 0.00 0.00 29.97 30.55 3h24 h ARG 154 CO 0.51 -0.13 -0.47 1.21 -1.51 0.00 0.00 179.97 179.59 3h24 s ASN 155 N -5.00 -0.05 0.02 -3.80 2.47 -1.26 -5.08 114.94 102.24 3h24 s ASN 155 Ca -0.15 0.08 -0.04 0.00 0.42 0.00 0.00 52.86 53.17 3h24 s ASN 155 Cb 0.03 1.32 -0.01 0.00 -1.45 0.00 0.00 41.25 41.14 3h24 s ASN 155 CO 0.58 -0.32 0.90 -0.11 -3.72 0.00 0.00 177.10 174.44 3h24 n LEU 156 N 5.37 -0.13 -0.18 3.21 7.94 -1.26 -0.68 117.00 131.28 3h24 n LEU 156 Ca -0.01 0.93 -0.03 0.00 -1.11 0.00 0.00 56.01 55.79 3h24 n LEU 156 Cb 0.50 -0.39 0.07 0.00 0.53 0.00 0.00 43.42 44.14 3h24 n LEU 156 CO 0.02 -0.53 1.00 0.24 -1.11 0.00 0.00 177.39 177.00 3h24 h MET 157 N 0.00 0.42 -0.21 1.96 2.86 -1.98 -1.08 114.93 116.91 3h24 h MET 157 Ca 0.02 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 3h24 h MET 157 Cb 0.05 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3h24 h MET 157 CO -0.11 0.28 -0.20 0.00 1.06 0.00 0.00 176.91 177.94 3h24 h ALA 158 N 1.33 1.26 -0.08 6.32 0.00 -1.35 -2.20 119.26 124.54 3h24 h ALA 158 Ca 0.25 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3h24 h ALA 158 Cb 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3h24 h ALA 158 CO -0.23 0.49 -0.27 -0.44 0.00 0.00 0.00 179.25 178.79 3h24 h ASP 159 N 0.34 0.38 -0.40 0.00 3.32 -0.51 -1.74 116.42 117.81 3h24 h ASP 159 Ca 0.06 -0.62 0.06 0.00 0.02 0.00 0.00 57.03 56.56 3h24 h ASP 159 Cb 0.55 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.93 3h24 h ASP 159 CO 0.04 0.93 0.08 0.24 -1.72 0.00 0.00 179.24 178.81 3h24 h MET 160 N -0.14 0.20 0.01 3.56 2.86 -0.93 0.29 114.93 120.78 3h24 h MET 160 Ca -0.01 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3h24 h MET 160 Cb 0.90 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 3h24 h MET 160 CO 0.06 0.13 -0.03 0.82 1.06 0.00 0.00 176.91 178.95 3h24 h ILE 161 N 0.21 0.93 -0.38 -1.22 2.04 -1.44 0.83 117.51 118.48 3h24 h ILE 161 Ca 0.20 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.14 3h24 h ILE 161 Cb 0.24 0.93 -0.09 0.00 -0.74 0.00 0.00 36.82 37.16 3h24 h ILE 161 CO -0.26 0.00 -0.24 0.00 0.00 0.00 0.00 178.15 177.66 3h24 h ALA 162 N 0.93 -0.00 -0.85 1.87 0.00 -0.77 -0.38 119.26 120.06 3h24 h ALA 162 Ca 0.01 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3h24 h ALA 162 Cb 0.07 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3h24 h ALA 162 CO -0.02 -0.62 0.53 -0.44 0.00 0.00 0.00 179.25 178.70 3h24 h ASP 163 N -0.18 1.00 -0.07 0.00 3.32 0.08 0.28 116.42 120.85 3h24 h ASP 163 Ca 0.18 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3h24 h ASP 163 Cb 0.46 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 3h24 h ASP 163 CO -0.48 0.76 -0.00 -0.07 -1.72 0.00 0.00 179.24 177.73 3h24 h LEU 164 N 1.16 0.13 -0.79 1.55 3.38 -0.54 -1.91 115.31 118.29 3h24 h LEU 164 Ca 0.31 -0.32 0.16 0.00 0.09 0.00 0.00 57.88 58.12 3h24 h LEU 164 Cb -0.08 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 40.54 3h24 h LEU 164 CO -0.06 0.42 0.32 0.22 0.09 0.00 0.00 178.44 179.43 3h24 h TYR 165 N -0.16 0.54 -0.41 1.13 3.20 -0.16 0.64 116.97 121.76 3h24 h TYR 165 Ca 0.02 0.04 0.09 0.00 3.14 0.00 0.00 58.73 62.02 3h24 h TYR 165 Cb 0.35 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3h24 h TYR 165 CO 0.04 0.04 0.29 -0.44 -1.64 0.00 0.00 178.16 176.44 3h24 h ASP 166 N 0.44 0.15 -0.09 -2.11 3.32 -0.22 -0.79 116.42 117.11 3h24 h ASP 166 Ca 0.45 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.46 3h24 h ASP 166 Cb 0.72 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 3h24 h ASP 166 CO -0.44 0.09 -0.11 0.28 -1.72 0.00 0.00 179.24 177.35 3h24 h SER 167 N 0.16 0.25 -0.63 6.45 0.02 0.84 -2.99 113.55 117.65 3h24 h SER 167 Ca 0.19 -0.51 0.12 0.00 -0.84 0.00 0.00 61.79 60.76 3h24 h SER 167 Cb 0.54 -0.07 -0.09 0.00 0.14 0.00 0.00 62.40 62.92 3h24 h SER 167 CO -0.03 0.71 0.13 0.40 -1.14 0.00 0.00 176.83 176.89 3h24 h ILE 168 N -0.20 0.60 -0.65 3.27 2.04 -0.10 0.23 117.51 122.68 3h24 h ILE 168 Ca 0.01 -0.09 0.08 0.00 1.00 0.00 0.00 64.86 65.87 3h24 h ILE 168 Cb 0.64 0.33 -0.07 0.00 -0.74 0.00 0.00 36.82 36.99 3h24 h ILE 168 CO 0.03 0.05 0.32 0.50 0.00 0.00 0.00 178.15 179.04 3h24 h LYS 169 N 0.25 0.54 -0.16 2.37 3.64 -1.18 0.34 116.57 122.38 3h24 h LYS 169 Ca 0.34 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 3h24 h LYS 169 Cb 0.52 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 3h24 h LYS 169 CO -0.44 0.36 0.04 0.82 -2.27 0.00 0.00 179.45 177.96 3h24 h ILE 170 N 0.56 1.20 0.22 2.00 2.04 -1.08 -1.10 117.51 121.34 3h24 h ILE 170 Ca 0.32 -0.63 0.01 0.00 1.00 0.00 0.00 64.86 65.55 3h24 h ILE 170 Cb 0.31 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 3h24 h ILE 170 CO -0.25 0.19 -0.29 0.00 0.00 0.00 0.00 178.15 177.80 3h24 h ALA 171 N 0.84 -0.56 -0.83 1.87 0.00 0.56 -2.46 119.26 118.69 3h24 h ALA 171 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h24 h ALA 171 Cb 0.26 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3h24 h ALA 171 CO 0.00 -0.85 0.52 0.87 0.00 0.00 0.00 179.25 179.79 3h24 h LYS 172 N -0.56 1.10 0.00 0.00 1.57 -0.28 0.18 116.57 118.58 3h24 h LYS 172 Ca 0.01 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3h24 h LYS 172 Cb 0.55 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3h24 h LYS 172 CO -0.10 0.76 0.00 -0.25 -0.57 0.00 0.00 179.45 179.28 3h24 n ASP 173 N -4.48 0.00 -0.88 0.86 10.43 -0.43 -0.40 116.55 121.66 3h24 n ASP 173 Ca 0.08 -0.09 0.11 0.00 2.57 0.00 0.00 54.79 57.46 3h24 n ASP 173 Cb 0.04 -0.19 0.10 0.00 1.84 0.00 0.00 41.12 42.91 3h24 n ASP 173 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3h24 n ALA 174 N -1.19 2.46 -0.15 2.24 0.00 0.61 -4.97 120.51 119.51 3h24 n ALA 174 Ca 0.08 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.81 3h24 n ALA 174 Cb 0.09 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3h24 n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h24 n GLY 175 N 1.22 0.69 3.71 0.00 0.00 0.47 -4.72 105.19 106.55 3h24 n GLY 175 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3h24 n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h24 s VAL 176 N -2.20 3.02 0.44 1.61 1.01 -1.02 -4.89 120.40 118.37 3h24 s VAL 176 Ca 0.00 0.64 -0.22 0.00 0.00 0.00 0.00 61.98 62.40 3h24 s VAL 176 Cb 0.00 -3.41 -0.09 0.00 0.00 0.00 0.00 36.38 32.88 3h24 s VAL 176 CO 0.00 0.03 1.05 -0.13 0.00 0.00 0.00 175.10 176.04 3h24 s ARG 177 N 1.72 4.01 0.36 2.72 0.52 -1.26 -4.44 118.95 122.58 3h24 s ARG 177 Ca 0.69 1.45 0.17 0.00 -0.52 0.00 0.00 55.73 57.52 3h24 s ARG 177 Cb -0.40 -2.35 1.14 0.00 0.52 0.00 0.00 34.95 33.86 3h24 s ARG 177 CO 0.31 -0.26 1.66 -0.44 0.02 0.00 0.00 175.30 176.59 3h24 h ASP 178 N 2.10 0.48 0.42 0.23 3.32 -1.96 0.35 116.42 121.34 3h24 h ASP 178 Ca -0.49 0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3h24 h ASP 178 Cb 1.22 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.90 3h24 h ASP 178 CO 0.61 -0.14 0.00 -0.62 -1.72 0.00 0.00 179.24 177.37 3h24 n GLU 179 N -4.99 0.31 -0.25 3.56 1.02 -1.26 -0.95 120.64 118.09 3h24 n GLU 179 Ca 0.32 0.08 0.10 0.00 -0.02 0.00 0.00 57.16 57.64 3h24 n GLU 179 Cb 1.04 -1.50 0.24 0.00 -0.02 0.00 0.00 31.44 31.20 3h24 n GLU 179 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3h24 n ASN 180 N -1.28 3.49 -4.61 1.62 5.03 0.12 -4.80 115.26 114.82 3h24 n ASN 180 Ca 0.10 -1.97 -0.37 0.00 0.87 0.00 0.00 54.58 53.22 3h24 n ASN 180 Cb 0.18 -0.33 -0.10 0.00 -1.02 0.00 0.00 39.78 38.50 3h24 n ASN 180 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3h24 s ILE 181 N -1.17 5.20 0.09 2.41 1.01 -0.12 0.76 121.20 129.39 3h24 s ILE 181 Ca 0.39 0.13 0.10 0.00 0.00 0.00 0.00 60.65 61.26 3h24 s ILE 181 Cb 0.21 -3.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.21 3h24 s ILE 181 CO 0.28 0.32 -0.26 -0.63 0.00 0.00 0.00 174.94 174.66 3h24 s ILE 182 N 1.31 2.12 0.24 2.92 1.01 -0.72 -4.35 121.20 123.73 3h24 s ILE 182 Ca 0.07 -1.55 0.09 0.00 0.00 0.00 0.00 60.65 59.26 3h24 s ILE 182 Cb -0.14 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 3h24 s ILE 182 CO 0.06 0.20 -0.05 -0.76 0.00 0.00 0.00 174.94 174.39 3h24 s LEU 183 N -1.66 3.08 -0.05 2.97 1.43 -0.16 -0.30 118.68 123.99 3h24 s LEU 183 Ca 0.12 -0.65 -0.02 0.00 -1.03 0.00 0.00 54.13 52.55 3h24 s LEU 183 Cb -0.10 -1.66 0.04 0.00 0.03 0.00 0.00 46.19 44.50 3h24 s LEU 183 CO 0.04 0.04 0.10 -0.62 0.23 0.00 0.00 176.35 176.14 3h24 s ASP 184 N -3.38 0.18 0.00 2.29 3.68 -0.56 0.67 116.67 119.55 3h24 s ASP 184 Ca 0.29 0.21 0.16 0.00 2.13 0.00 0.00 52.55 55.34 3h24 s ASP 184 Cb -0.07 0.09 0.83 0.00 -1.45 0.00 0.00 42.92 42.32 3h24 s ASP 184 CO 0.18 -0.17 1.46 -0.81 0.13 0.00 0.00 175.17 175.96 3h24 n PRO 185 N 4.46 0.26 -3.77 4.34 -0.04 -1.26 -0.22 135.00 138.77 3h24 n PRO 185 Ca -0.22 0.12 -0.33 0.00 -0.04 0.00 0.00 63.50 63.04 3h24 n PRO 185 Cb 0.51 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.50 3h24 n PRO 185 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h24 n GLY 186 N 0.08 -0.86 3.76 0.55 0.00 -1.26 -4.46 105.19 103.00 3h24 n GLY 186 Ca 0.08 0.39 -0.41 0.00 0.00 0.00 0.00 46.02 46.09 3h24 n GLY 186 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h24 s ILE 187 N -3.55 2.64 0.00 -0.61 -1.09 -1.26 -2.43 121.20 114.91 3h24 s ILE 187 Ca 0.41 0.61 0.00 0.00 -2.23 0.00 0.00 60.65 59.44 3h24 s ILE 187 Cb -0.16 -3.39 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 3h24 s ILE 187 CO 0.88 0.13 0.00 0.61 -1.23 0.00 0.00 174.94 175.33 3h24 n GLY 188 N 1.17 1.59 3.57 6.18 0.00 -1.26 -4.84 105.19 111.61 3h24 n GLY 188 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 3h24 n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h24 s PHE 189 N -2.83 3.05 -1.12 1.61 0.40 -1.02 -4.75 117.98 113.32 3h24 s PHE 189 Ca 0.00 -0.08 -0.01 0.00 -0.60 0.00 0.00 56.93 56.24 3h24 s PHE 189 Cb 0.00 -1.86 0.01 0.00 0.51 0.00 0.00 43.02 41.68 3h24 s PHE 189 CO 0.00 0.19 0.07 0.00 0.70 0.00 0.00 175.22 176.18 3h24 n ALA 190 N 2.85 -0.81 -2.94 5.36 0.00 -1.26 -4.90 120.51 118.81 3h24 n ALA 190 Ca -0.18 0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.25 3h24 n ALA 190 Cb 0.53 -1.74 -0.13 0.00 0.00 0.00 0.00 19.45 18.11 3h24 n ALA 190 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3h24 s LYS 191 N -5.15 0.09 0.96 0.00 1.02 -1.26 -4.70 119.74 110.71 3h24 s LYS 191 Ca 0.05 0.05 -0.11 0.00 0.02 0.00 0.00 55.97 55.98 3h24 s LYS 191 Cb -0.03 0.04 0.17 0.00 -0.52 0.00 0.00 37.83 37.50 3h24 s LYS 191 CO 0.06 -0.01 1.09 0.95 -0.92 0.00 0.00 175.35 176.52 3h24 s THR 192 N -0.05 2.37 0.29 2.17 -4.23 -1.26 -4.69 115.64 110.24 3h24 s THR 192 Ca -0.01 0.12 0.02 0.00 -1.18 0.00 0.00 61.69 60.65 3h24 s THR 192 Cb -0.01 -2.38 0.28 0.00 1.34 0.00 0.00 72.50 71.74 3h24 s THR 192 CO 0.00 -0.16 1.81 -0.65 -0.54 0.00 0.00 174.62 175.09 3h24 h PRO 193 N -1.89 0.88 -0.05 3.99 0.11 -1.99 -0.80 132.00 132.24 3h24 h PRO 193 Ca -0.51 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.55 3h24 h PRO 193 Cb 1.29 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3h24 h PRO 193 CO 0.50 0.58 0.03 0.93 -0.21 0.00 0.00 178.00 179.83 3h24 h GLU 194 N 0.90 0.07 -0.92 1.05 4.39 -1.99 -2.38 114.58 115.71 3h24 h GLU 194 Ca 0.52 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 60.25 3h24 h GLU 194 Cb 0.61 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.19 3h24 h GLU 194 CO -0.30 0.15 0.60 1.96 -1.16 0.00 0.00 179.01 180.26 3h24 h GLN 195 N -0.03 1.08 -0.63 2.33 4.20 -1.73 -2.05 115.11 118.28 3h24 h GLN 195 Ca 0.02 -0.06 0.12 0.00 0.06 0.00 0.00 58.65 58.78 3h24 h GLN 195 Cb 0.10 -0.24 -0.09 0.00 0.30 0.00 0.00 27.48 27.55 3h24 h GLN 195 CO -0.00 0.71 0.17 -0.91 -0.67 0.00 0.00 178.83 178.13 3h24 h ASN 196 N 1.11 0.08 -0.46 1.46 2.35 -0.76 -1.35 115.58 118.01 3h24 h ASN 196 Ca 0.38 0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 56.20 3h24 h ASN 196 Cb 0.09 0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 3h24 h ASN 196 CO -0.13 0.04 0.16 -0.07 -1.65 0.00 0.00 177.43 175.79 3h24 h LEU 197 N 0.31 0.66 -0.31 1.61 3.38 -0.94 -0.84 115.31 119.19 3h24 h LEU 197 Ca 0.33 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.13 3h24 h LEU 197 Cb 0.49 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3h24 h LEU 197 CO -0.39 0.68 0.14 -0.08 0.09 0.00 0.00 178.44 178.87 3h24 h GLU 198 N 0.61 0.28 -0.33 1.13 4.81 -1.01 0.12 114.58 120.19 3h24 h GLU 198 Ca 0.15 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3h24 h GLU 198 Cb 0.24 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3h24 h GLU 198 CO -0.01 0.19 0.21 0.00 -0.73 0.00 0.00 179.01 178.67 3h24 h ALA 199 N 1.17 0.42 -0.49 2.92 0.00 -1.17 0.02 119.26 122.13 3h24 h ALA 199 Ca 0.13 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.10 3h24 h ALA 199 Cb 0.07 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.64 3h24 h ALA 199 CO -0.11 -0.10 0.03 0.52 0.00 0.00 0.00 179.25 179.60 3h24 h MET 200 N 0.44 0.14 0.00 0.00 2.86 -0.57 -0.39 114.93 117.41 3h24 h MET 200 Ca 0.12 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3h24 h MET 200 Cb -0.02 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.61 3h24 h MET 200 CO -0.02 0.10 0.00 -0.09 1.06 0.00 0.00 176.91 177.95 3h24 h ARG 201 N 0.15 0.00 0.00 1.72 2.43 0.81 -2.77 114.38 116.72 3h24 h ARG 201 Ca 0.25 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3h24 h ARG 201 Cb 0.37 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3h24 h ARG 201 CO -0.39 0.00 -0.13 0.09 -1.51 0.00 0.00 179.97 178.04 3h24 n ASN 202 N -2.33 1.90 -0.24 -3.80 3.02 -0.17 -4.83 115.26 108.81 3h24 n ASN 202 Ca 0.02 -2.94 0.24 0.00 -0.03 0.00 0.00 54.58 51.87 3h24 n ASN 202 Cb 0.24 -0.40 0.59 0.00 -0.61 0.00 0.00 39.78 39.60 3h24 n ASN 202 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3h24 h LEU 203 N 0.07 0.27 -2.27 3.41 3.38 -0.81 -0.01 115.31 119.34 3h24 h LEU 203 Ca -0.00 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3h24 h LEU 203 Cb 1.08 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3h24 h LEU 203 CO 0.00 0.09 0.20 1.05 0.09 0.00 0.00 178.44 179.87 3h24 h GLU 204 N 0.25 0.00 0.00 1.13 9.09 -1.87 0.95 114.58 124.13 3h24 h GLU 204 Ca 0.49 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.89 3h24 h GLU 204 Cb 1.47 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.57 3h24 h GLU 204 CO -0.14 0.00 -0.06 1.96 0.05 0.00 0.00 179.01 180.83 3h24 h GLN 205 N 0.00 0.00 0.00 1.06 4.20 -1.34 -2.40 115.11 116.64 3h24 h GLN 205 Ca 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3h24 h GLN 205 Cb 0.48 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 3h24 h GLN 205 CO -0.00 0.06 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.10 3h24 h LEU 206 N 0.00 0.00 -1.77 1.46 3.38 -1.00 -2.91 115.31 114.47 3h24 h LEU 206 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3h24 h LEU 206 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3h24 h LEU 206 CO 0.01 0.05 -0.15 0.78 0.09 0.00 0.00 178.44 179.21 3h24 h ASN 207 N 0.00 0.00 -0.04 -0.43 2.35 -1.62 -0.41 115.58 115.44 3h24 h ASN 207 Ca -0.00 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3h24 h ASN 207 Cb 0.25 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 3h24 h ASN 207 CO 0.01 0.15 0.07 -0.37 -1.65 0.00 0.00 177.43 175.64 3h24 h VAL 208 N 0.00 0.26 0.00 2.81 -1.51 -1.70 -0.88 116.25 115.23 3h24 h VAL 208 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3h24 h VAL 208 Cb 0.29 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 30.39 3h24 h VAL 208 CO 0.02 0.00 0.00 -0.07 -1.23 0.00 0.00 177.57 176.29 3h24 h LEU 209 N 0.00 0.00 0.00 4.19 3.38 -1.28 -3.46 115.31 118.14 3h24 h LEU 209 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3h24 h LEU 209 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3h24 h LEU 209 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3h24 n GLY 210 N -0.19 0.90 3.18 0.83 0.00 -0.34 -5.07 105.19 104.50 3h24 n GLY 210 Ca -0.00 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 3h24 n GLY 210 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h24 s TYR 211 N -2.00 1.29 0.69 1.61 1.51 -1.26 -5.12 117.35 114.07 3h24 s TYR 211 Ca 0.00 -0.44 -0.17 0.00 -1.01 0.00 0.00 57.07 55.46 3h24 s TYR 211 Cb 0.00 -0.73 0.02 0.00 -0.11 0.00 0.00 41.96 41.14 3h24 s TYR 211 CO 0.00 0.07 1.26 -2.14 -1.11 0.00 0.00 175.55 173.63 3h24 s PRO 212 N -1.67 2.31 -0.06 -1.71 0.02 -1.26 -4.77 135.00 127.87 3h24 s PRO 212 Ca -0.00 1.95 0.06 0.00 0.02 0.00 0.00 61.00 63.02 3h24 s PRO 212 Cb -0.10 -1.83 -0.01 0.00 0.02 0.00 0.00 34.50 32.58 3h24 s PRO 212 CO 0.02 -1.76 -0.23 0.08 -0.33 0.00 0.00 177.00 174.79 3h24 s VAL 213 N -1.64 1.92 -0.05 3.83 1.01 -1.26 -0.99 120.40 123.22 3h24 s VAL 213 Ca 0.79 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.79 3h24 s VAL 213 Cb -0.34 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 3h24 s VAL 213 CO 0.43 0.53 -0.03 -0.22 0.00 0.00 0.00 175.10 175.81 3h24 s LEU 214 N -0.09 3.40 -0.09 3.92 0.20 0.21 -1.29 118.68 124.93 3h24 s LEU 214 Ca -0.04 0.02 0.03 0.00 0.69 0.00 0.00 54.13 54.82 3h24 s LEU 214 Cb -0.13 -1.84 -0.01 0.00 -0.43 0.00 0.00 46.19 43.77 3h24 s LEU 214 CO 0.04 0.33 -0.18 -0.22 -0.29 0.00 0.00 176.35 176.03 3h24 s LEU 215 N -1.12 2.47 -0.36 -0.68 2.96 -0.55 -4.01 118.68 117.38 3h24 s LEU 215 Ca 0.15 -0.38 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 3h24 s LEU 215 Cb -0.11 -1.51 0.12 0.00 0.50 0.00 0.00 46.19 45.18 3h24 s LEU 215 CO 0.05 0.22 0.16 -0.83 -1.32 0.00 0.00 176.35 174.63 3h24 s GLY 216 N 0.01 1.30 0.00 7.98 0.00 -1.26 -0.68 107.32 114.67 3h24 s GLY 216 Ca -0.06 -2.05 0.00 0.00 0.00 0.00 0.00 44.72 42.61 3h24 s GLY 216 CO 0.05 1.61 0.74 -1.30 0.00 0.00 0.00 173.10 174.20 3h24 n THR 217 N 4.29 0.55 -1.68 0.90 -2.24 -1.26 -4.46 114.28 110.38 3h24 n THR 217 Ca 0.03 -0.65 -0.49 0.00 -2.27 0.00 0.00 64.05 60.67 3h24 n THR 217 Cb 0.39 0.79 -0.05 0.00 -2.10 0.00 0.00 70.33 69.36 3h24 n THR 217 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3h24 n SER 218 N -0.27 3.40 -1.22 3.42 2.88 -1.25 -2.16 113.62 118.42 3h24 n SER 218 Ca 0.00 0.98 -0.09 0.00 -1.33 0.00 0.00 58.87 58.43 3h24 n SER 218 Cb 0.24 -1.36 -0.04 0.00 -0.75 0.00 0.00 64.21 62.30 3h24 n SER 218 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3h24 n ARG 219 N 6.51 -1.22 -1.04 -1.46 1.74 -1.26 -4.92 116.66 115.02 3h24 n ARG 219 Ca 0.23 0.51 -0.31 0.00 -0.77 0.00 0.00 57.85 57.51 3h24 n ARG 219 Cb 0.29 -4.65 0.12 0.00 -1.02 0.00 0.00 32.46 27.20 3h24 n ARG 219 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3h24 s LYS 220 N -2.69 1.75 0.33 5.56 1.02 -0.92 -4.87 119.74 119.91 3h24 s LYS 220 Ca 0.00 1.35 0.12 0.00 0.02 0.00 0.00 55.97 57.46 3h24 s LYS 220 Cb 0.00 -1.83 1.02 0.00 -0.52 0.00 0.00 37.83 36.51 3h24 s LYS 220 CO 0.00 -2.05 1.66 1.03 -0.92 0.00 0.00 175.35 175.07 3h24 h SER 221 N -1.40 0.45 0.32 2.83 0.87 -1.92 -2.02 113.55 112.69 3h24 h SER 221 Ca -0.43 0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.30 3h24 h SER 221 Cb 1.25 0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 63.36 3h24 h SER 221 CO 0.47 -0.13 -0.09 2.19 -0.53 0.00 0.00 176.83 178.75 3h24 h PHE 222 N 0.32 0.00 -0.25 2.24 -5.15 -1.94 -0.57 116.94 111.58 3h24 h PHE 222 Ca 0.70 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 58.35 3h24 h PHE 222 Cb 1.57 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.73 3h24 h PHE 222 CO -0.05 0.09 -0.32 0.82 -2.00 0.00 0.00 178.31 176.85 3h24 h ILE 223 N 0.00 1.31 -0.54 0.88 2.04 -1.72 -2.34 117.51 117.15 3h24 h ILE 223 Ca -0.00 -1.50 0.10 0.00 1.00 0.00 0.00 64.86 64.46 3h24 h ILE 223 Cb 0.27 1.69 -0.09 0.00 -0.74 0.00 0.00 36.82 37.95 3h24 h ILE 223 CO 0.01 0.47 0.02 1.23 0.00 0.00 0.00 178.15 179.89 3h24 h GLY 224 N 0.38 0.58 1.14 5.37 0.00 -1.27 -0.70 103.07 108.57 3h24 h GLY 224 Ca 0.03 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 3h24 h GLY 224 CO 0.08 -0.14 0.48 0.84 0.00 0.00 0.00 176.54 177.79 3h24 h HIS 225 N 0.14 1.11 0.00 5.60 -0.00 -0.80 0.58 115.15 121.78 3h24 h HIS 225 Ca 0.28 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.63 3h24 h HIS 225 Cb 0.42 -0.36 0.00 0.00 -0.00 0.00 0.00 27.41 27.47 3h24 h HIS 225 CO -0.31 0.75 -0.03 0.28 -0.00 0.00 0.00 177.93 178.62 3h24 h VAL 226 N 1.15 1.77 0.00 5.26 2.07 -0.88 -3.31 116.25 122.31 3h24 h VAL 226 Ca 0.29 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 65.51 3h24 h VAL 226 Cb -0.01 3.34 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 3h24 h VAL 226 CO -0.05 0.60 -0.04 -0.07 0.02 0.00 0.00 177.57 178.02 3h24 h LEU 227 N -0.96 0.00 -3.00 2.57 3.38 -1.07 -3.48 115.31 112.75 3h24 h LEU 227 Ca -0.00 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.73 3h24 h LEU 227 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3h24 h LEU 227 CO 0.01 0.01 -0.58 -0.67 0.09 0.00 0.00 178.44 177.29 3h24 n ASP 228 N -2.29 -6.48 -3.66 -0.43 2.03 0.20 -5.04 116.55 100.88 3h24 n ASP 228 Ca 0.05 -0.36 -0.12 0.00 0.52 0.00 0.00 54.79 54.89 3h24 n ASP 228 Cb 0.44 -3.59 -0.08 0.00 -0.72 0.00 0.00 41.12 37.16 3h24 n ASP 228 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3h24 s LEU 229 N -4.08 -0.48 0.94 -2.67 1.43 -1.18 -5.07 118.68 107.56 3h24 s LEU 229 Ca 0.06 1.27 -0.14 0.00 -1.03 0.00 0.00 54.13 54.30 3h24 s LEU 229 Cb -0.01 2.09 0.16 0.00 0.03 0.00 0.00 46.19 48.46 3h24 s LEU 229 CO 0.82 -0.22 1.17 -2.16 0.23 0.00 0.00 176.35 176.19 3h24 s PRO 230 N 0.80 0.92 0.44 1.29 0.04 -1.26 -4.41 135.00 132.83 3h24 s PRO 230 Ca -0.04 0.11 0.22 0.00 0.04 0.00 0.00 61.00 61.33 3h24 s PRO 230 Cb -0.05 -1.83 1.20 0.00 0.04 0.00 0.00 34.50 33.86 3h24 s PRO 230 CO -0.06 -2.31 1.83 -0.24 0.04 0.00 0.00 177.00 176.26 3h24 h VAL 231 N -1.58 0.58 -0.16 -0.36 3.04 -1.98 0.11 116.25 115.91 3h24 h VAL 231 Ca -0.48 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 3h24 h VAL 231 Cb 1.31 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.85 3h24 h VAL 231 CO 0.55 0.05 0.00 -1.84 -1.01 0.00 0.00 177.57 175.33 3h24 n GLU 232 N -4.47 1.60 -0.52 4.17 0.00 -1.26 -3.71 120.64 116.45 3h24 n GLU 232 Ca 0.22 -0.91 0.07 0.00 0.00 0.00 0.00 57.16 56.54 3h24 n GLU 232 Cb 0.85 -1.34 0.19 0.00 0.00 0.00 0.00 31.44 31.13 3h24 n GLU 232 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3h24 n GLU 233 N 0.15 1.49 -0.33 3.44 -0.58 0.37 -4.75 120.64 120.42 3h24 n GLU 233 Ca 0.14 -3.13 0.08 0.00 -0.42 0.00 0.00 57.16 53.83 3h24 n GLU 233 Cb 0.27 -1.56 0.20 0.00 -0.57 0.00 0.00 31.44 29.78 3h24 n GLU 233 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3h24 n ARG 234 N -1.14 1.98 -0.06 3.49 1.74 -1.24 -4.68 116.66 116.74 3h24 n ARG 234 Ca 0.18 -2.80 -0.11 0.00 -0.77 0.00 0.00 57.85 54.35 3h24 n ARG 234 Cb 0.69 -1.67 -0.05 0.00 -1.02 0.00 0.00 32.46 30.41 3h24 n ARG 234 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3h24 h LEU 235 N 0.86 0.32 0.07 0.55 6.46 -1.87 0.45 115.31 122.15 3h24 h LEU 235 Ca 0.02 -0.26 -0.00 0.00 -0.12 0.00 0.00 57.88 57.52 3h24 h LEU 235 Cb 1.24 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.08 3h24 h LEU 235 CO 0.13 0.49 -0.03 -0.33 -0.62 0.00 0.00 178.44 178.08 3h24 h GLU 236 N 0.13 -0.09 -0.59 1.25 3.07 -1.99 0.20 114.58 116.56 3h24 h GLU 236 Ca 0.06 0.01 0.03 0.00 -0.50 0.00 0.00 59.36 58.96 3h24 h GLU 236 Cb 0.31 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.20 3h24 h GLU 236 CO 0.00 0.06 0.35 0.78 -1.40 0.00 0.00 179.01 178.80 3h24 h GLY 237 N -0.22 0.84 0.78 -3.84 0.00 -1.86 0.09 103.07 98.86 3h24 h GLY 237 Ca -0.01 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.08 3h24 h GLY 237 CO 0.02 0.20 -0.09 -0.84 0.00 0.00 0.00 176.54 175.82 3h24 h THR 238 N 0.67 0.77 -0.70 4.70 2.02 -0.72 -2.35 112.91 117.30 3h24 h THR 238 Ca 0.24 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.57 3h24 h THR 238 Cb 0.06 0.77 -0.11 0.00 -1.74 0.00 0.00 68.15 67.13 3h24 h THR 238 CO -0.12 0.00 0.15 1.23 0.37 0.00 0.00 175.52 177.15 3h24 h GLY 239 N -0.16 0.93 0.94 2.16 0.00 0.35 0.14 103.07 107.43 3h24 h GLY 239 Ca 0.03 -0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.36 3h24 h GLY 239 CO -0.09 -0.19 0.46 0.00 0.00 0.00 0.00 176.54 176.73 3h24 h ALA 240 N 1.58 0.91 -0.42 3.60 0.00 -0.69 0.02 119.26 124.27 3h24 h ALA 240 Ca 0.39 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 3h24 h ALA 240 Cb 0.65 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3h24 h ALA 240 CO -0.50 0.27 0.10 1.79 0.00 0.00 0.00 179.25 180.92 3h24 h THR 241 N 0.92 1.23 -0.37 0.00 1.35 -0.38 -1.56 112.91 114.10 3h24 h THR 241 Ca 0.27 -0.81 0.08 0.00 -0.55 0.00 0.00 66.41 65.41 3h24 h THR 241 Cb -0.05 0.95 -0.08 0.00 -1.73 0.00 0.00 68.15 67.25 3h24 h THR 241 CO -0.08 0.28 -0.17 0.58 -0.25 0.00 0.00 175.52 175.88 3h24 h VAL 242 N 0.54 0.48 -0.77 6.82 2.07 -0.41 -0.92 116.25 124.07 3h24 h VAL 242 Ca 0.13 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.63 3h24 h VAL 242 Cb 0.32 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 3h24 h VAL 242 CO 0.00 0.00 0.38 0.00 0.02 0.00 0.00 177.57 177.97 3h24 h LEU 244 N 1.09 0.15 -0.39 0.00 5.85 -0.90 -1.37 115.31 119.75 3h24 h LEU 244 Ca 0.27 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 3h24 h LEU 244 Cb 0.10 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3h24 h LEU 244 CO -0.04 0.71 0.00 1.23 -0.34 0.00 0.00 178.44 180.01 3h24 h GLY 245 N 1.62 0.74 1.08 3.75 0.00 -0.33 0.17 103.07 110.09 3h24 h GLY 245 Ca -0.01 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 46.69 3h24 h GLY 245 CO 0.09 0.50 0.06 -2.22 0.00 0.00 0.00 176.54 174.96 3h24 h ILE 246 N 0.51 1.27 -0.06 2.60 2.04 -0.81 -1.43 117.51 121.63 3h24 h ILE 246 Ca 0.11 -1.10 -0.07 0.00 1.00 0.00 0.00 64.86 64.80 3h24 h ILE 246 Cb 0.47 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3h24 h ILE 246 CO 0.02 0.41 -0.27 -0.08 0.00 0.00 0.00 178.15 178.22 3h24 h GLU 247 N 1.02 0.10 -0.24 2.37 4.22 -0.57 -1.08 114.58 120.39 3h24 h GLU 247 Ca 0.19 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.60 3h24 h GLU 247 Cb 0.50 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3h24 h GLU 247 CO 0.02 0.37 0.00 1.63 -2.18 0.00 0.00 179.01 178.85 3h24 n LYS 248 N -4.18 1.66 0.00 1.92 5.02 0.53 -4.93 118.16 118.18 3h24 n LYS 248 Ca -0.02 -1.01 0.00 0.00 -2.02 0.00 0.00 58.31 55.27 3h24 n LYS 248 Cb 0.35 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 3h24 n LYS 248 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h24 n GLY 249 N 1.01 1.13 3.76 0.72 0.00 -0.41 -4.08 105.19 107.32 3h24 n GLY 249 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3h24 n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h24 n GLU 251 N 1.77 0.49 -3.72 0.00 4.71 -0.41 -4.78 120.64 118.70 3h24 n GLU 251 Ca 0.06 -0.02 -0.14 0.00 -0.01 0.00 0.00 57.16 57.05 3h24 n GLU 251 Cb 0.38 -1.64 -0.08 0.00 -1.01 0.00 0.00 31.44 29.09 3h24 n GLU 251 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3h24 s PHE 252 N -3.34 -0.27 -0.01 -0.32 0.40 -1.10 -1.38 117.98 111.96 3h24 s PHE 252 Ca -0.01 0.42 0.02 0.00 -0.60 0.00 0.00 56.93 56.76 3h24 s PHE 252 Cb 0.13 0.15 0.00 0.00 0.51 0.00 0.00 43.02 43.81 3h24 s PHE 252 CO 0.83 -0.43 -0.07 0.14 0.70 0.00 0.00 175.22 176.39 3h24 s VAL 253 N -1.32 0.58 -0.44 -0.44 -7.23 -0.66 -1.49 120.40 109.40 3h24 s VAL 253 Ca -0.13 -0.28 -0.14 0.00 -1.81 0.00 0.00 61.98 59.62 3h24 s VAL 253 Cb -0.04 -0.51 0.06 0.00 0.56 0.00 0.00 36.38 36.45 3h24 s VAL 253 CO 0.05 0.18 0.33 -0.60 -0.31 0.00 0.00 175.10 174.76 3h24 s ARG 254 N 0.05 2.88 0.24 4.82 3.52 0.14 -0.68 118.95 129.92 3h24 s ARG 254 Ca -0.00 -1.31 0.05 0.00 -0.13 0.00 0.00 55.73 54.34 3h24 s ARG 254 Cb -0.05 -3.99 -0.05 0.00 -1.56 0.00 0.00 34.95 29.29 3h24 s ARG 254 CO -0.00 -0.94 -0.04 0.14 -0.81 0.00 0.00 175.30 173.64 3h24 s VAL 255 N 1.59 1.33 -0.14 7.11 -7.23 -0.11 -3.97 120.40 118.98 3h24 s VAL 255 Ca 0.04 -2.08 -0.16 0.00 -1.81 0.00 0.00 61.98 57.97 3h24 s VAL 255 Cb -0.23 -2.32 -0.24 0.00 0.56 0.00 0.00 36.38 34.15 3h24 s VAL 255 CO 0.06 -0.37 0.40 0.45 -0.31 0.00 0.00 175.10 175.33 3h24 h HIS 256 N 2.43 0.30 -2.59 2.82 3.86 -1.89 -1.18 115.15 118.88 3h24 h HIS 256 Ca -0.39 -0.22 -0.76 0.00 -1.16 0.00 0.00 60.37 57.84 3h24 h HIS 256 Cb 1.22 -0.01 -0.21 0.00 1.06 0.00 0.00 27.41 29.47 3h24 h HIS 256 CO 0.63 1.58 1.09 -0.25 0.86 0.00 0.00 177.93 181.85 3h24 n ASP 257 N -3.99 5.39 0.01 2.45 9.92 -1.26 -4.78 116.55 124.29 3h24 n ASP 257 Ca -0.29 -3.04 -0.13 0.00 -0.53 0.00 0.00 54.79 50.80 3h24 n ASP 257 Cb 0.86 -1.48 -0.09 0.00 -0.64 0.00 0.00 41.12 39.77 3h24 n ASP 257 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3h24 h VAL 258 N 4.14 1.27 -0.66 2.53 2.07 -1.93 -1.53 116.25 122.15 3h24 h VAL 258 Ca 0.27 -0.86 0.06 0.00 0.82 0.00 0.00 66.70 67.00 3h24 h VAL 258 Cb 0.83 1.85 -0.09 0.00 -1.52 0.00 0.00 31.29 32.36 3h24 h VAL 258 CO 1.22 0.22 -0.51 0.50 0.02 0.00 0.00 177.57 179.02 3h24 h LYS 259 N -0.39 -0.14 -0.74 1.57 3.64 -1.90 -1.87 116.57 116.74 3h24 h LYS 259 Ca -0.00 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3h24 h LYS 259 Cb 0.38 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 3h24 h LYS 259 CO 0.00 -0.09 0.26 0.93 -2.27 0.00 0.00 179.45 178.28 3h24 h GLU 260 N -0.15 1.14 0.00 1.90 3.07 -1.86 -2.60 114.58 116.08 3h24 h GLU 260 Ca 0.11 -0.23 -0.04 0.00 -0.50 0.00 0.00 59.36 58.70 3h24 h GLU 260 Cb 0.43 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 3h24 h GLU 260 CO -0.70 0.95 -0.20 0.52 -1.40 0.00 0.00 179.01 178.19 3h24 h MET 261 N 1.09 0.00 -0.22 2.33 2.86 -1.11 -1.63 114.93 118.24 3h24 h MET 261 Ca 0.24 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.68 3h24 h MET 261 Cb 0.27 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.94 3h24 h MET 261 CO -0.01 0.20 -0.66 0.77 1.06 0.00 0.00 176.91 178.26 3h24 h SER 262 N 0.00 0.96 -0.29 1.22 0.02 -0.96 0.73 113.55 115.24 3h24 h SER 262 Ca -0.00 -0.57 -0.01 0.00 -0.84 0.00 0.00 61.79 60.37 3h24 h SER 262 Cb 0.86 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 3h24 h SER 262 CO 0.03 1.37 0.14 0.03 -1.14 0.00 0.00 176.83 177.26 3h24 h ARG 263 N 0.61 0.41 -0.49 3.45 3.08 -1.36 0.25 114.38 120.34 3h24 h ARG 263 Ca -0.02 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 3h24 h ARG 263 Cb 1.28 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.24 3h24 h ARG 263 CO 0.14 0.39 -0.01 0.52 -1.07 0.00 0.00 179.97 179.94 3h24 h MET 264 N 0.33 0.82 -0.72 0.04 2.86 -0.85 -1.79 114.93 115.63 3h24 h MET 264 Ca 0.10 -0.23 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 3h24 h MET 264 Cb 0.11 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 3h24 h MET 264 CO -0.01 0.83 0.30 0.00 1.06 0.00 0.00 176.91 179.09 3h24 h ALA 265 N 1.22 1.17 -0.05 6.32 0.00 0.74 -0.31 119.26 128.35 3h24 h ALA 265 Ca 0.14 -0.17 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 3h24 h ALA 265 Cb 0.48 -0.29 0.02 0.00 0.00 0.00 0.00 17.79 18.00 3h24 h ALA 265 CO 0.02 0.60 -0.97 -0.22 0.00 0.00 0.00 179.25 178.69 3h24 h LYS 266 N 1.03 0.73 -0.59 0.00 3.64 -0.64 0.30 116.57 121.04 3h24 h LYS 266 Ca 0.24 -0.73 0.01 0.00 -1.27 0.00 0.00 60.65 58.90 3h24 h LYS 266 Cb 0.18 0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 3h24 h LYS 266 CO -0.02 1.31 0.39 1.98 -2.27 0.00 0.00 179.45 180.84 3h24 h MET 267 N 0.44 0.78 -0.03 1.90 4.05 -1.19 -0.75 114.93 120.13 3h24 h MET 267 Ca -0.11 -0.05 0.02 0.00 -0.28 0.00 0.00 59.70 59.29 3h24 h MET 267 Cb 1.61 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 32.21 3h24 h MET 267 CO 0.19 0.52 -0.12 0.52 0.23 0.00 0.00 176.91 178.25 3h24 h MET 268 N 0.81 -0.18 -0.84 0.39 2.86 -0.60 -1.91 114.93 115.45 3h24 h MET 268 Ca 0.22 0.01 0.13 0.00 -2.06 0.00 0.00 59.70 58.00 3h24 h MET 268 Cb -0.09 0.04 -0.09 0.00 0.06 0.00 0.00 31.60 31.52 3h24 h MET 268 CO -0.05 -0.12 0.45 -0.44 1.06 0.00 0.00 176.91 177.81 3h24 h ASP 269 N -0.19 0.57 -0.51 1.22 3.45 0.15 0.37 116.42 121.48 3h24 h ASP 269 Ca 0.05 0.08 -0.09 0.00 0.43 0.00 0.00 57.03 57.50 3h24 h ASP 269 Cb 0.26 -0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 39.00 3h24 h ASP 269 CO -0.15 0.27 -0.05 0.00 -1.57 0.00 0.00 179.24 177.75 3h24 h ALA 270 N 1.52 0.70 0.12 3.45 0.00 -0.67 0.19 119.26 124.58 3h24 h ALA 270 Ca 0.44 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3h24 h ALA 270 Cb 0.56 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3h24 h ALA 270 CO -0.33 0.55 -0.06 0.52 0.00 0.00 0.00 179.25 179.94 3h24 h MET 271 N 0.80 -0.15 0.00 0.00 2.86 0.08 -2.79 114.93 115.72 3h24 h MET 271 Ca 0.14 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3h24 h MET 271 Cb 0.59 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.29 3h24 h MET 271 CO 0.04 0.28 0.00 0.44 1.06 0.00 0.00 176.91 178.72 3h24 n ILE 272 N -4.94 0.89 -0.86 -1.22 -5.35 0.10 -4.87 119.36 103.11 3h24 n ILE 272 Ca -0.09 0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.62 3h24 n ILE 272 Cb 0.26 -1.03 0.00 0.00 -1.74 0.00 0.00 39.64 37.12 3h24 n ILE 272 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h24 n GLY 273 N 0.08 0.57 0.00 3.28 0.00 0.00 -5.08 105.19 104.04 3h24 n GLY 273 Ca 0.03 -0.80 0.15 0.00 0.00 0.00 0.00 46.02 45.40 3h24 n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49