#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2m h LYS 2 N 0.00 0.28 -5.41 0.03 3.64 -1.96 -3.45 116.57 109.71 3h2m h LYS 2 Ca 0.00 -0.48 -0.64 0.00 -1.27 0.00 0.00 60.65 58.26 3h2m h LYS 2 Cb 0.00 0.18 -0.18 0.00 -0.41 0.00 0.00 32.23 31.82 3h2m h LYS 2 CO 0.00 1.15 -0.62 -1.58 -2.27 0.00 0.00 179.45 176.13 3h2m s TRP 3 N -2.61 3.13 -1.76 1.91 0.52 -1.26 -4.98 118.94 113.89 3h2m s TRP 3 Ca -0.10 -0.07 0.20 0.00 0.02 0.00 0.00 56.10 56.15 3h2m s TRP 3 Cb 0.06 -1.97 0.63 0.00 -1.15 0.00 0.00 33.47 31.04 3h2m s TRP 3 CO 0.86 0.13 1.53 -0.40 0.02 0.00 0.00 176.95 179.08 3h2m n ASP 4 N 3.28 3.92 -4.00 2.95 3.85 -1.26 -4.89 116.55 120.39 3h2m n ASP 4 Ca -0.17 -2.12 -0.09 0.00 -0.71 0.00 0.00 54.79 51.69 3h2m n ASP 4 Cb 0.53 -0.49 -0.08 0.00 -1.35 0.00 0.00 41.12 39.72 3h2m n ASP 4 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 3h2m s TYR 5 N -1.30 0.48 0.09 2.11 -0.85 -1.26 -5.15 117.35 111.48 3h2m s TYR 5 Ca 0.47 -0.88 0.01 0.00 -0.52 0.00 0.00 57.07 56.15 3h2m s TYR 5 Cb 0.26 -0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.36 3h2m s TYR 5 CO 0.29 -0.60 0.21 -0.51 -1.52 0.00 0.00 175.55 173.42 3h2m s ASP 6 N -2.96 6.19 -0.17 -0.18 1.01 -1.26 -4.54 116.67 114.75 3h2m s ASP 6 Ca 0.16 0.18 -0.29 0.00 0.71 0.00 0.00 52.55 53.30 3h2m s ASP 6 Cb 0.05 -1.85 -0.03 0.00 1.01 0.00 0.00 42.92 42.10 3h2m s ASP 6 CO -0.03 0.13 1.54 -0.76 0.21 0.00 0.00 175.17 176.26 3h2m s LEU 7 N -2.72 4.05 -0.39 1.23 1.43 -0.08 -4.91 118.68 117.30 3h2m s LEU 7 Ca 0.34 1.76 -0.22 0.00 -1.03 0.00 0.00 54.13 54.98 3h2m s LEU 7 Cb -0.12 -3.53 0.01 0.00 0.03 0.00 0.00 46.19 42.58 3h2m s LEU 7 CO 0.27 -1.07 0.72 -0.13 0.23 0.00 0.00 176.35 176.37 3h2m s ARG 8 N 4.26 3.58 -0.76 1.70 1.81 -1.26 -1.23 118.95 127.06 3h2m s ARG 8 Ca 0.68 0.04 0.03 0.00 -1.72 0.00 0.00 55.73 54.76 3h2m s ARG 8 Cb -0.26 -3.86 0.31 0.00 -0.45 0.00 0.00 34.95 30.69 3h2m s ARG 8 CO 0.26 -0.90 1.14 0.00 -0.68 0.00 0.00 175.30 175.13 3h2m n GLY 10 N 0.33 1.65 0.19 0.00 0.00 -1.26 -1.64 105.19 104.46 3h2m n GLY 10 Ca 0.33 0.33 0.14 0.00 0.00 0.00 0.00 46.02 46.82 3h2m n GLY 10 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3h2m h GLU 11 N 0.00 0.00 -6.64 1.61 4.11 -2.01 -3.45 114.58 108.20 3h2m h GLU 11 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.76 3h2m h GLU 11 Cb 0.00 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.07 3h2m h GLU 11 CO 0.00 0.00 -0.77 0.71 0.07 0.00 0.00 179.01 179.02 3h2m s TYR 12 N -3.37 2.62 -0.04 2.06 1.51 -0.65 -5.13 117.35 114.35 3h2m s TYR 12 Ca 0.05 -0.22 0.03 0.00 -1.01 0.00 0.00 57.07 55.92 3h2m s TYR 12 Cb 0.09 -1.39 0.00 0.00 -0.11 0.00 0.00 41.96 40.55 3h2m s TYR 12 CO 0.52 0.40 -0.12 0.99 -1.11 0.00 0.00 175.55 176.23 3h2m s THR 13 N -1.16 1.07 -0.23 -0.71 2.01 -1.26 -0.81 115.64 114.54 3h2m s THR 13 Ca 0.19 -0.51 -0.06 0.00 0.31 0.00 0.00 61.69 61.63 3h2m s THR 13 Cb -0.11 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.44 3h2m s THR 13 CO 0.11 0.32 0.02 -0.76 -0.69 0.00 0.00 174.62 173.62 3h2m s LEU 14 N 0.20 3.21 -0.18 4.42 1.43 -0.36 -4.98 118.68 122.41 3h2m s LEU 14 Ca -0.05 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 52.49 3h2m s LEU 14 Cb -0.11 -1.84 -0.00 0.00 0.03 0.00 0.00 46.19 44.27 3h2m s LEU 14 CO 0.01 -0.01 1.06 0.21 0.23 0.00 0.00 176.35 177.85 3h2m s ASN 15 N 1.47 7.12 0.00 2.29 3.84 -1.26 -0.90 114.94 127.50 3h2m s ASN 15 Ca 0.05 1.47 0.29 0.00 0.21 0.00 0.00 52.86 54.89 3h2m s ASN 15 Cb -0.15 -2.55 1.36 0.00 -0.55 0.00 0.00 41.25 39.37 3h2m s ASN 15 CO 0.01 -0.61 1.97 0.18 -2.79 0.00 0.00 177.10 175.86 3h2m n LEU 16 N 5.94 0.00 -0.06 3.21 4.77 -1.26 -4.04 117.00 125.55 3h2m n LEU 16 Ca 0.11 0.38 -0.06 0.00 -0.03 0.00 0.00 56.01 56.42 3h2m n LEU 16 Cb 0.47 -0.38 -0.10 0.00 -2.33 0.00 0.00 43.42 41.08 3h2m n LEU 16 CO 0.53 -0.01 -0.89 0.59 -1.33 0.00 0.00 177.39 176.28 3h2m n ASN 17 N -1.38 1.99 0.13 -1.43 3.02 -1.26 -4.67 115.26 111.65 3h2m n ASN 17 Ca 0.11 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.53 3h2m n ASN 17 Cb 0.28 0.83 -0.06 0.00 -0.61 0.00 0.00 39.78 40.22 3h2m n ASN 17 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3h2m h GLU 18 N 0.00 -0.48 -2.67 3.52 4.81 -1.89 -3.47 114.58 114.40 3h2m h GLU 18 Ca -0.32 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 58.98 3h2m h GLU 18 Cb 1.71 0.11 -0.14 0.00 0.63 0.00 0.00 28.75 31.07 3h2m h GLU 18 CO 0.02 -0.32 0.33 -1.59 -0.73 0.00 0.00 179.01 176.72 3h2m s LYS 19 N -6.06 1.08 0.05 1.92 -2.85 -1.26 -4.88 119.74 107.74 3h2m s LYS 19 Ca -0.16 -0.39 -0.31 0.00 -1.00 0.00 0.00 55.97 54.12 3h2m s LYS 19 Cb 0.07 0.50 -0.08 0.00 -2.06 0.00 0.00 37.83 36.27 3h2m s LYS 19 CO 0.65 -0.47 1.58 0.99 0.10 0.00 0.00 175.35 178.20 3h2m s THR 20 N -3.44 3.21 -0.20 3.79 2.01 -1.26 -4.87 115.64 114.89 3h2m s THR 20 Ca 0.03 0.65 -0.23 0.00 0.31 0.00 0.00 61.69 62.45 3h2m s THR 20 Cb -0.01 -3.42 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 3h2m s THR 20 CO -0.11 -0.00 0.75 -0.76 -0.69 0.00 0.00 174.62 173.81 3h2m s LEU 21 N 2.54 4.14 -0.35 4.42 1.43 -0.38 -4.95 118.68 125.53 3h2m s LEU 21 Ca 0.71 0.99 -0.24 0.00 -1.03 0.00 0.00 54.13 54.56 3h2m s LEU 21 Cb -0.38 -3.08 0.01 0.00 0.03 0.00 0.00 46.19 42.77 3h2m s LEU 21 CO 0.31 -0.38 0.83 -0.63 0.23 0.00 0.00 176.35 176.71 3h2m s ILE 22 N 2.24 4.71 -0.27 -0.59 -1.09 -1.26 -1.84 121.20 123.09 3h2m s ILE 22 Ca 0.33 1.08 -0.20 0.00 -2.23 0.00 0.00 60.65 59.63 3h2m s ILE 22 Cb -0.16 -4.23 -0.02 0.00 -1.58 0.00 0.00 42.46 36.48 3h2m s ILE 22 CO 0.10 -0.40 0.63 -0.32 -1.23 0.00 0.00 174.94 173.72 3h2m s MET 23 N 3.16 4.04 -0.09 2.79 -2.45 0.92 0.32 119.30 127.99 3h2m s MET 23 Ca 0.34 0.46 -0.14 0.00 -1.25 0.00 0.00 55.69 55.10 3h2m s MET 23 Cb -0.13 -3.68 -0.05 0.00 1.25 0.00 0.00 34.83 32.22 3h2m s MET 23 CO 0.16 -0.47 0.33 0.20 1.05 0.00 0.00 175.02 176.29 3h2m s GLY 24 N 1.53 2.32 -0.43 2.11 0.00 0.16 -1.17 107.32 111.83 3h2m s GLY 24 Ca 0.26 -0.37 -0.23 0.00 0.00 0.00 0.00 44.72 44.38 3h2m s GLY 24 CO 0.10 0.24 0.77 -0.42 0.00 0.00 0.00 173.10 173.78 3h2m s ILE 25 N -0.30 4.68 0.01 0.90 1.01 -0.78 -1.02 121.20 125.70 3h2m s ILE 25 Ca 0.20 0.48 -0.30 0.00 0.00 0.00 0.00 60.65 61.02 3h2m s ILE 25 Cb -0.14 -4.29 -0.06 0.00 0.01 0.00 0.00 42.46 37.98 3h2m s ILE 25 CO 0.08 -0.65 1.45 -0.22 0.00 0.00 0.00 174.94 175.60 3h2m s LEU 26 N 3.20 4.32 0.13 2.97 2.96 -0.66 -4.88 118.68 126.72 3h2m s LEU 26 Ca 0.29 2.17 -0.21 0.00 -0.22 0.00 0.00 54.13 56.16 3h2m s LEU 26 Cb -0.12 -3.56 -0.07 0.00 0.50 0.00 0.00 46.19 42.93 3h2m s LEU 26 CO 0.21 -0.75 0.66 0.54 -1.32 0.00 0.00 176.35 175.69 3h2m s ASN 27 N 2.00 7.17 -0.03 3.68 2.20 -1.26 -4.77 114.94 123.92 3h2m s ASN 27 Ca 0.66 1.41 0.05 0.00 -0.94 0.00 0.00 52.86 54.03 3h2m s ASN 27 Cb -0.33 -2.41 0.07 0.00 -2.00 0.00 0.00 41.25 36.58 3h2m s ASN 27 CO 0.27 0.21 0.92 0.55 -2.94 0.00 0.00 177.10 176.11 3h2m n VAL 28 N 1.47 0.84 -0.44 3.54 3.14 -1.26 -4.61 118.33 121.00 3h2m n VAL 28 Ca -0.07 -0.93 -0.15 0.00 -2.96 0.00 0.00 64.34 60.22 3h2m n VAL 28 Cb 0.50 0.43 -0.04 0.00 -1.06 0.00 0.00 33.84 33.67 3h2m n VAL 28 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 3h2m n THR 29 N -0.54 0.00 -1.06 1.55 -1.04 -1.26 -4.89 114.28 107.03 3h2m n THR 29 Ca 0.04 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.74 3h2m n THR 29 Cb 0.47 -0.16 0.12 0.00 -1.82 0.00 0.00 70.33 68.95 3h2m n THR 29 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3h2m s PRO 30 N 2.49 1.79 0.23 -2.82 0.02 -1.26 -4.81 135.00 130.63 3h2m s PRO 30 Ca 0.41 1.34 -0.30 0.00 0.02 0.00 0.00 61.00 62.47 3h2m s PRO 30 Cb -0.43 -1.83 -0.09 0.00 0.02 0.00 0.00 34.50 32.18 3h2m s PRO 30 CO 0.17 -2.02 1.00 -0.51 -0.33 0.00 0.00 177.00 175.32 3h2m s ASP 31 N -3.05 7.48 0.23 2.53 1.01 -1.26 -4.97 116.67 118.63 3h2m s ASP 31 Ca 0.64 2.03 0.26 0.00 0.71 0.00 0.00 52.55 56.19 3h2m s ASP 31 Cb -0.20 -2.61 0.73 0.00 1.01 0.00 0.00 42.92 41.85 3h2m s ASP 31 CO 0.56 0.00 1.73 0.28 0.21 0.00 0.00 175.17 177.95 3h2m h SER 32 N 4.37 0.00 -0.22 0.27 0.02 -2.04 -3.23 113.55 112.71 3h2m h SER 32 Ca -0.45 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.38 3h2m h SER 32 Cb 1.21 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.69 3h2m h SER 32 CO 0.69 0.01 -0.18 0.49 -1.14 0.00 0.00 176.83 176.70 3h2m n PHE 33 N -2.33 0.70 -3.89 3.45 0.99 -1.26 -5.05 117.46 110.07 3h2m n PHE 33 Ca 0.05 -1.46 -0.09 0.00 -0.00 0.00 0.00 57.45 55.95 3h2m n PHE 33 Cb 0.44 -0.39 -0.08 0.00 -1.00 0.00 0.00 39.48 38.46 3h2m n PHE 33 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 3h2m s SER 34 N -2.70 0.17 -0.25 4.37 1.04 -1.22 -5.04 113.70 110.07 3h2m s SER 34 Ca 0.42 -0.71 0.14 0.00 0.48 0.00 0.00 55.95 56.27 3h2m s SER 34 Cb 0.38 0.32 0.78 0.00 0.10 0.00 0.00 66.02 67.60 3h2m s SER 34 CO -0.01 -0.72 1.72 0.47 0.98 0.00 0.00 173.24 175.69 3h2m n ASP 35 N -0.04 5.38 0.00 7.02 8.00 -1.26 -4.84 116.55 130.81 3h2m n ASP 35 Ca -0.15 -3.00 0.00 0.00 0.71 0.00 0.00 54.79 52.35 3h2m n ASP 35 Cb 0.62 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 3h2m n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h2m n GLY 36 N 0.35 1.76 2.57 0.44 0.00 -1.26 -4.33 105.19 104.72 3h2m n GLY 36 Ca 0.29 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.45 3h2m n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h2m n GLY 37 N 1.63 1.44 3.75 -0.02 0.00 -1.25 -4.92 105.19 105.81 3h2m n GLY 37 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3h2m n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h2m s SER 38 N -3.22 4.62 0.09 1.61 0.01 -1.26 -4.84 113.70 110.71 3h2m s SER 38 Ca 0.00 2.16 -0.14 0.00 1.31 0.00 0.00 55.95 59.28 3h2m s SER 38 Cb 0.00 -2.57 -0.16 0.00 0.21 0.00 0.00 66.02 63.50 3h2m s SER 38 CO 0.00 -1.97 1.29 0.22 0.41 0.00 0.00 173.24 173.19 3h2m h TYR 39 N -0.20 1.00 -0.41 2.43 3.20 -1.98 -2.21 116.97 118.79 3h2m h TYR 39 Ca -0.47 -0.44 0.06 0.00 3.14 0.00 0.00 58.73 61.03 3h2m h TYR 39 Cb 1.27 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 39.33 3h2m h TYR 39 CO 0.51 1.26 0.08 -0.91 -1.64 0.00 0.00 178.16 177.46 3h2m h ASN 40 N 0.45 0.00 0.55 -2.11 2.35 -1.99 0.17 115.58 115.01 3h2m h ASN 40 Ca -0.05 0.07 -0.26 0.00 -0.55 0.00 0.00 56.30 55.51 3h2m h ASN 40 Cb 1.34 0.10 0.01 0.00 0.05 0.00 0.00 38.32 39.82 3h2m h ASN 40 CO 0.15 0.04 -1.17 1.05 -1.65 0.00 0.00 177.43 175.84 3h2m h GLU 41 N 0.21 0.31 -0.13 0.81 4.11 -1.86 -2.30 114.58 115.73 3h2m h GLU 41 Ca 0.20 -0.47 -0.02 0.00 0.07 0.00 0.00 59.36 59.14 3h2m h GLU 41 Cb 0.24 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3h2m h GLU 41 CO -0.26 1.20 0.00 0.28 0.07 0.00 0.00 179.01 180.29 3h2m h VAL 42 N 0.11 1.25 0.00 -1.06 2.07 -1.30 -2.96 116.25 114.36 3h2m h VAL 42 Ca -0.12 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 3h2m h VAL 42 Cb 1.88 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 33.17 3h2m h VAL 42 CO 0.20 0.24 -0.07 -0.78 0.02 0.00 0.00 177.57 177.17 3h2m h ASP 43 N -0.03 0.00 1.14 0.57 3.58 -0.72 -2.25 116.42 118.71 3h2m h ASP 43 Ca 0.04 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.33 3h2m h ASP 43 Cb 0.36 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 3h2m h ASP 43 CO 0.01 0.07 -0.89 0.00 -2.88 0.00 0.00 179.24 175.55 3h2m h ALA 44 N 1.93 0.59 0.20 -0.78 0.00 -1.39 -0.78 119.26 119.03 3h2m h ALA 44 Ca -0.00 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 3h2m h ALA 44 Cb 0.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3h2m h ALA 44 CO 0.01 0.91 -0.10 0.00 0.00 0.00 0.00 179.25 180.07 3h2m h ALA 45 N 1.32 -0.27 -0.19 0.00 0.00 -1.34 -1.45 119.26 117.33 3h2m h ALA 45 Ca -0.06 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.70 3h2m h ALA 45 Cb 1.56 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 3h2m h ALA 45 CO 0.08 -0.47 0.00 0.28 0.00 0.00 0.00 179.25 179.14 3h2m h VAL 46 N -0.63 0.87 -0.97 0.00 2.07 -1.41 0.23 116.25 116.41 3h2m h VAL 46 Ca -0.03 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.50 3h2m h VAL 46 Cb 0.46 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 3h2m h VAL 46 CO 0.05 0.01 0.63 0.03 0.02 0.00 0.00 177.57 178.31 3h2m h ARG 47 N 0.06 1.20 -0.40 1.57 3.08 -1.20 0.14 114.38 118.83 3h2m h ARG 47 Ca 0.09 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 59.92 3h2m h ARG 47 Cb 0.11 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3h2m h ARG 47 CO -0.15 0.79 -0.33 1.25 -1.07 0.00 0.00 179.97 180.46 3h2m h HIS 48 N 1.23 1.08 -0.76 3.04 2.76 -0.95 -1.00 115.15 120.55 3h2m h HIS 48 Ca 0.38 -0.30 -0.05 0.00 -2.20 0.00 0.00 60.37 58.20 3h2m h HIS 48 Cb -0.01 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 28.68 3h2m h HIS 48 CO -0.01 1.11 0.29 0.00 -1.30 0.00 0.00 177.93 178.03 3h2m h ALA 49 N 0.85 1.07 -0.27 5.26 0.00 -0.15 -0.48 119.26 125.53 3h2m h ALA 49 Ca 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3h2m h ALA 49 Cb 0.91 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3h2m h ALA 49 CO 0.08 0.65 0.10 0.87 0.00 0.00 0.00 179.25 180.95 3h2m h LYS 50 N 1.11 0.42 -0.75 0.00 1.57 -0.58 0.20 116.57 118.54 3h2m h LYS 50 Ca 0.25 -0.08 0.07 0.00 -1.87 0.00 0.00 60.65 59.02 3h2m h LYS 50 Cb 0.23 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.42 3h2m h LYS 50 CO -0.02 0.46 0.43 1.49 -0.57 0.00 0.00 179.45 181.25 3h2m h GLU 51 N 0.29 0.75 -0.13 3.15 4.81 -1.00 -0.92 114.58 121.52 3h2m h GLU 51 Ca 0.09 -0.05 -0.23 0.00 -0.13 0.00 0.00 59.36 59.05 3h2m h GLU 51 Cb 0.21 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.43 3h2m h GLU 51 CO -0.01 0.50 -0.81 0.52 -0.73 0.00 0.00 179.01 178.48 3h2m h MET 52 N 0.77 0.77 -0.57 1.92 2.86 -0.72 -1.15 114.93 118.81 3h2m h MET 52 Ca 0.34 -0.66 0.11 0.00 -2.06 0.00 0.00 59.70 57.43 3h2m h MET 52 Cb 0.23 0.15 -0.11 0.00 0.06 0.00 0.00 31.60 31.93 3h2m h MET 52 CO -0.20 1.26 -0.23 -0.09 1.06 0.00 0.00 176.91 178.71 3h2m h ARG 53 N 0.49 -0.09 0.00 1.72 1.12 -0.49 -1.05 114.38 116.09 3h2m h ARG 53 Ca -0.07 0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 58.81 3h2m h ARG 53 Cb 1.45 0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 31.43 3h2m h ARG 53 CO 0.17 -0.06 -0.01 -0.44 -3.11 0.00 0.00 179.97 176.51 3h2m h ASP 54 N -0.09 0.00 0.21 -3.80 3.32 -0.84 -2.86 116.42 112.35 3h2m h ASP 54 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3h2m h ASP 54 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3h2m h ASP 54 CO -0.63 0.01 -0.35 -0.62 -1.72 0.00 0.00 179.24 175.93 3h2m n GLU 55 N -3.13 0.78 0.00 3.56 1.02 -0.46 -4.92 120.64 117.48 3h2m n GLU 55 Ca -0.01 -0.51 0.00 0.00 -0.02 0.00 0.00 57.16 56.62 3h2m n GLU 55 Cb 0.24 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 3h2m n GLU 55 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h2m n GLY 56 N 1.38 1.62 3.77 0.62 0.00 -1.01 -4.14 105.19 107.42 3h2m n GLY 56 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 3h2m n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2m s ALA 57 N -2.00 3.19 -0.25 4.61 0.00 -0.49 -4.63 121.76 122.18 3h2m s ALA 57 Ca 0.00 1.19 0.15 0.00 0.00 0.00 0.00 51.96 53.30 3h2m s ALA 57 Cb 0.00 -3.47 -0.21 0.00 0.00 0.00 0.00 23.12 19.44 3h2m s ALA 57 CO 0.00 -0.82 0.43 0.72 0.00 0.00 0.00 175.76 176.09 3h2m n HIS 58 N -0.02 0.00 -3.75 0.00 8.25 0.15 -4.71 115.22 115.13 3h2m n HIS 58 Ca 0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.38 3h2m n HIS 58 Cb 0.44 -0.22 -0.11 0.00 1.12 0.00 0.00 29.99 31.22 3h2m n HIS 58 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h2m s ILE 59 N -2.81 -0.00 -0.22 1.59 1.01 -1.04 -4.02 121.20 115.70 3h2m s ILE 59 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.58 3h2m s ILE 59 Cb 0.10 -0.50 -0.02 0.00 0.01 0.00 0.00 42.46 42.05 3h2m s ILE 59 CO 0.62 0.00 0.02 -0.63 0.00 0.00 0.00 174.94 174.95 3h2m s ILE 60 N 0.23 4.02 -0.21 2.92 -1.09 -0.27 -0.66 121.20 126.14 3h2m s ILE 60 Ca -0.00 -0.28 -0.14 0.00 -2.23 0.00 0.00 60.65 58.00 3h2m s ILE 60 Cb -0.03 -2.84 -0.04 0.00 -1.58 0.00 0.00 42.46 37.97 3h2m s ILE 60 CO 0.00 0.40 0.31 -0.62 -1.23 0.00 0.00 174.94 173.80 3h2m s ASP 61 N 1.26 6.33 -0.15 3.58 3.68 -0.19 -0.81 116.67 130.37 3h2m s ASP 61 Ca 0.04 0.38 0.00 0.00 2.13 0.00 0.00 52.55 55.11 3h2m s ASP 61 Cb -0.15 -2.19 0.02 0.00 -1.45 0.00 0.00 42.92 39.16 3h2m s ASP 61 CO 0.02 -0.01 -0.14 -0.63 0.13 0.00 0.00 175.17 174.54 3h2m s ILE 62 N 1.14 1.53 -0.01 4.11 1.01 0.80 -1.65 121.20 128.14 3h2m s ILE 62 Ca 0.15 -0.61 0.05 0.00 0.00 0.00 0.00 60.65 60.24 3h2m s ILE 62 Cb -0.14 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 3h2m s ILE 62 CO 0.06 0.45 -0.15 -0.83 0.00 0.00 0.00 174.94 174.48 3h2m s GLY 63 N 1.50 1.57 0.30 6.18 0.00 -1.26 -0.56 107.32 115.05 3h2m s GLY 63 Ca 0.05 -1.07 0.13 0.00 0.00 0.00 0.00 44.72 43.84 3h2m s GLY 63 CO -0.10 -0.90 1.64 -1.33 0.00 0.00 0.00 173.10 172.40 3h2m h GLY 64 N 4.94 0.00 -7.01 0.20 0.00 -1.87 -3.45 103.07 95.88 3h2m h GLY 64 Ca -0.47 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.53 3h2m h GLY 64 CO 0.50 0.00 -0.69 -0.54 0.00 0.00 0.00 176.54 175.81 3h2m s GLU 65 N -3.56 -0.02 -0.04 4.80 2.02 -1.26 -4.86 118.70 115.77 3h2m s GLU 65 Ca -0.01 0.42 -0.02 0.00 0.02 0.00 0.00 54.97 55.39 3h2m s GLU 65 Cb 0.12 -0.37 -0.02 0.00 0.10 0.00 0.00 34.13 33.96 3h2m s GLU 65 CO 0.74 -0.29 -0.05 0.43 0.02 0.00 0.00 175.26 176.11 3h2m n SER 66 N 5.10 0.51 -0.01 -0.19 7.64 -1.26 -5.10 113.62 120.31 3h2m n SER 66 Ca -0.08 0.04 -0.00 0.00 1.01 0.00 0.00 58.87 59.84 3h2m n SER 66 Cb 0.50 -0.11 -0.00 0.00 -1.01 0.00 0.00 64.21 63.59 3h2m n SER 66 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 3h2m n PHE 71 N -3.14 0.09 -2.57 1.43 1.16 -1.26 -5.25 117.46 107.92 3h2m n PHE 71 Ca -0.08 0.04 -0.38 0.00 -1.87 0.00 0.00 57.45 55.16 3h2m n PHE 71 Cb 0.56 -0.29 -0.05 0.00 -1.61 0.00 0.00 39.48 38.09 3h2m n PHE 71 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3h2m s ALA 72 N -2.97 3.21 0.14 1.98 0.00 -1.26 -4.99 121.76 117.87 3h2m s ALA 72 Ca -0.01 0.72 -0.31 0.00 0.00 0.00 0.00 51.96 52.36 3h2m s ALA 72 Cb 0.00 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.77 3h2m s ALA 72 CO 0.02 -0.11 1.43 0.21 0.00 0.00 0.00 175.76 177.31 3h2m s LYS 73 N -2.04 4.30 0.14 0.00 2.47 -1.26 -5.03 119.74 118.31 3h2m s LYS 73 Ca 0.52 2.16 0.10 0.00 -1.56 0.00 0.00 55.97 57.19 3h2m s LYS 73 Cb -0.25 -3.21 -0.04 0.00 -1.46 0.00 0.00 37.83 32.87 3h2m s LYS 73 CO 0.31 -0.46 -0.25 0.08 0.16 0.00 0.00 175.35 175.19 3h2m s VAL 74 N 0.97 2.12 0.79 4.02 1.01 -1.26 -5.10 120.40 122.95 3h2m s VAL 74 Ca 0.65 -1.77 -0.12 0.00 0.00 0.00 0.00 61.98 60.74 3h2m s VAL 74 Cb -0.39 -1.91 0.07 0.00 0.00 0.00 0.00 36.38 34.15 3h2m s VAL 74 CO 0.32 -0.01 1.16 -0.94 0.00 0.00 0.00 175.10 175.63 3h2m s SER 75 N -2.17 4.66 0.26 3.32 1.04 -1.26 -4.81 113.70 114.73 3h2m s SER 75 Ca 0.14 0.87 -0.02 0.00 0.48 0.00 0.00 55.95 57.41 3h2m s SER 75 Cb -0.09 -1.43 0.52 0.00 0.10 0.00 0.00 66.02 65.12 3h2m s SER 75 CO 0.06 -1.82 1.73 0.58 0.98 0.00 0.00 173.24 174.78 3h2m h VAL 76 N -0.99 0.64 -0.53 5.02 2.07 -2.01 0.53 116.25 120.98 3h2m h VAL 76 Ca -0.46 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 3h2m h VAL 76 Cb 1.31 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3h2m h VAL 76 CO 0.65 0.09 0.29 -0.33 0.02 0.00 0.00 177.57 178.29 3h2m h GLU 77 N 0.48 0.74 -0.08 1.57 4.39 -2.00 -1.25 114.58 118.43 3h2m h GLU 77 Ca 0.45 -0.09 -0.18 0.00 0.34 0.00 0.00 59.36 59.88 3h2m h GLU 77 Cb 0.71 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 3h2m h GLU 77 CO -0.42 0.57 -0.72 0.93 -1.16 0.00 0.00 179.01 178.21 3h2m h GLU 78 N 0.71 0.38 -0.82 2.33 4.39 -1.68 -2.73 114.58 117.16 3h2m h GLU 78 Ca 0.19 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 3h2m h GLU 78 Cb 0.05 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 3h2m h GLU 78 CO -0.03 0.95 0.48 1.49 -1.16 0.00 0.00 179.01 180.75 3h2m h GLU 79 N 0.26 1.12 -0.28 2.33 4.81 0.22 -2.36 114.58 120.67 3h2m h GLU 79 Ca -0.03 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.07 3h2m h GLU 79 Cb 1.29 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 3h2m h GLU 79 CO 0.12 0.79 0.07 0.82 -0.73 0.00 0.00 179.01 180.08 3h2m h ILE 80 N 1.14 1.22 0.00 2.32 2.04 -1.16 -2.34 117.51 120.73 3h2m h ILE 80 Ca 0.29 -0.72 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 3h2m h ILE 80 Cb -0.03 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3h2m h ILE 80 CO -0.05 0.24 -0.19 0.11 0.00 0.00 0.00 178.15 178.26 3h2m h LYS 81 N 0.29 0.00 0.04 2.37 1.57 -1.29 -0.61 116.57 118.95 3h2m h LYS 81 Ca 0.09 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3h2m h LYS 81 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3h2m h LYS 81 CO 0.00 0.19 -0.02 0.00 -0.57 0.00 0.00 179.45 179.05 3h2m h ARG 82 N 0.00 -0.06 0.00 3.15 3.08 -1.38 -3.34 114.38 115.84 3h2m h ARG 82 Ca -0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 3h2m h ARG 82 Cb 0.40 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 3h2m h ARG 82 CO 0.02 0.58 -0.96 -0.24 -1.07 0.00 0.00 179.97 178.31 3h2m h VAL 83 N -0.81 1.69 -0.19 2.04 3.04 -1.20 -3.32 116.25 117.50 3h2m h VAL 83 Ca -0.01 -3.28 -0.04 0.00 -1.01 0.00 0.00 66.70 62.37 3h2m h VAL 83 Cb 0.67 2.77 -0.01 0.00 -2.01 0.00 0.00 31.29 32.71 3h2m h VAL 83 CO 0.01 0.94 -0.03 0.58 -1.01 0.00 0.00 177.57 178.06 3h2m h VAL 84 N 0.00 1.28 0.00 1.51 2.07 -1.31 -1.69 116.25 118.11 3h2m h VAL 84 Ca -0.01 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 3h2m h VAL 84 Cb 1.70 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 33.01 3h2m h VAL 84 CO 0.13 0.29 -0.00 -0.65 0.02 0.00 0.00 177.57 177.35 3h2m h PRO 85 N 0.07 0.00 0.18 1.57 0.11 -1.75 -2.10 132.00 130.08 3h2m h PRO 85 Ca 0.05 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.88 3h2m h PRO 85 Cb 0.46 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.58 3h2m h PRO 85 CO 0.02 0.00 -1.32 0.52 -0.21 0.00 0.00 178.00 177.01 3h2m h MET 86 N 0.00 0.38 -0.78 1.05 2.86 -1.54 -2.39 114.93 114.51 3h2m h MET 86 Ca -0.00 -0.65 0.09 0.00 -2.06 0.00 0.00 59.70 57.08 3h2m h MET 86 Cb 0.01 0.24 -0.07 0.00 0.06 0.00 0.00 31.60 31.84 3h2m h MET 86 CO 0.00 1.31 0.43 0.82 1.06 0.00 0.00 176.91 180.53 3h2m h ILE 87 N -0.12 0.89 -0.29 -1.22 2.04 -1.21 0.10 117.51 117.70 3h2m h ILE 87 Ca -0.25 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 3h2m h ILE 87 Cb 1.91 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 3h2m h ILE 87 CO 0.17 0.13 0.04 1.56 0.00 0.00 0.00 178.15 180.05 3h2m h GLN 88 N 0.72 0.49 -0.34 2.37 4.20 -1.42 -1.44 115.11 119.69 3h2m h GLN 88 Ca 0.38 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.92 3h2m h GLN 88 Cb 0.36 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3h2m h GLN 88 CO -0.25 0.60 0.09 0.00 -0.67 0.00 0.00 178.83 178.60 3h2m h ALA 89 N 0.87 0.45 -0.35 3.87 0.00 -1.24 -2.44 119.26 120.42 3h2m h ALA 89 Ca 0.09 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 3h2m h ALA 89 Cb 0.36 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3h2m h ALA 89 CO 0.01 0.11 -0.28 0.28 0.00 0.00 0.00 179.25 179.37 3h2m h VAL 90 N 0.40 1.29 -0.01 0.00 2.07 -0.79 -0.49 116.25 118.71 3h2m h VAL 90 Ca 0.11 -1.44 -0.12 0.00 0.82 0.00 0.00 66.70 66.07 3h2m h VAL 90 Cb 0.28 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3h2m h VAL 90 CO -0.00 0.47 -0.55 0.77 0.02 0.00 0.00 177.57 178.28 3h2m h SER 91 N 0.59 0.05 -0.11 0.57 4.64 -1.33 0.41 113.55 118.37 3h2m h SER 91 Ca 0.06 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.33 3h2m h SER 91 Cb 0.85 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.93 3h2m h SER 91 CO 0.07 0.59 -0.04 0.50 -0.87 0.00 0.00 176.83 177.09 3h2m h LYS 92 N 0.03 0.22 0.00 4.77 3.64 -1.37 -3.38 116.57 120.48 3h2m h LYS 92 Ca -0.00 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3h2m h LYS 92 Cb 0.99 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 3h2m h LYS 92 CO 0.07 0.54 -1.12 0.39 -2.27 0.00 0.00 179.45 177.06 3h2m n GLU 93 N -4.74 0.38 -3.92 1.90 1.02 -0.20 -4.80 120.64 110.29 3h2m n GLU 93 Ca -0.06 -0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.79 3h2m n GLU 93 Cb 0.26 -1.62 -0.17 0.00 -0.02 0.00 0.00 31.44 29.89 3h2m n GLU 93 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h2m s VAL 94 N -3.26 1.19 -1.34 2.62 1.01 0.14 -5.02 120.40 115.74 3h2m s VAL 94 Ca 0.02 -0.57 -0.14 0.00 0.00 0.00 0.00 61.98 61.29 3h2m s VAL 94 Cb 0.14 -1.28 0.09 0.00 0.00 0.00 0.00 36.38 35.33 3h2m s VAL 94 CO 0.81 0.24 1.90 0.29 0.00 0.00 0.00 175.10 178.34 3h2m n LYS 95 N 4.86 3.17 -3.80 2.72 4.76 -1.26 -4.48 118.16 124.13 3h2m n LYS 95 Ca -0.13 -3.15 -0.13 0.00 -2.87 0.00 0.00 58.31 52.04 3h2m n LYS 95 Cb 0.48 -3.25 -0.10 0.00 -1.84 0.00 0.00 35.03 30.32 3h2m n LYS 95 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3h2m s LEU 96 N 2.32 1.09 0.52 -0.35 1.43 -1.26 -5.12 118.68 117.31 3h2m s LEU 96 Ca 0.47 0.12 -0.22 0.00 -1.03 0.00 0.00 54.13 53.47 3h2m s LEU 96 Cb 0.08 1.01 -0.05 0.00 0.03 0.00 0.00 46.19 47.25 3h2m s LEU 96 CO -0.01 -0.33 1.28 -2.16 0.23 0.00 0.00 176.35 175.36 3h2m s PRO 97 N -0.97 3.32 -0.10 1.29 0.04 -1.26 -4.82 135.00 132.50 3h2m s PRO 97 Ca -0.10 2.04 -0.00 0.00 0.04 0.00 0.00 61.00 62.97 3h2m s PRO 97 Cb -0.05 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 3h2m s PRO 97 CO 0.02 -0.98 -0.08 0.42 0.04 0.00 0.00 177.00 176.42 3h2m s ILE 98 N -1.41 3.52 -0.08 0.56 1.01 -1.26 -1.11 121.20 122.43 3h2m s ILE 98 Ca 0.70 -0.52 -0.04 0.00 0.00 0.00 0.00 60.65 60.79 3h2m s ILE 98 Cb -0.35 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 3h2m s ILE 98 CO 0.42 0.55 0.07 -0.94 0.00 0.00 0.00 174.94 175.04 3h2m s SER 99 N -0.23 5.79 -0.25 3.58 1.04 0.01 0.29 113.70 123.92 3h2m s SER 99 Ca 0.02 0.27 -0.07 0.00 0.48 0.00 0.00 55.95 56.66 3h2m s SER 99 Cb -0.13 -1.74 -0.02 0.00 0.10 0.00 0.00 66.02 64.23 3h2m s SER 99 CO 0.03 0.37 0.05 -0.51 0.98 0.00 0.00 173.24 174.16 3h2m s ILE 100 N -1.01 4.11 -0.87 -1.02 1.10 -0.37 -0.14 121.20 123.00 3h2m s ILE 100 Ca 0.16 -0.29 -0.20 0.00 -0.51 0.00 0.00 60.65 59.81 3h2m s ILE 100 Cb -0.12 -2.94 0.11 0.00 0.15 0.00 0.00 42.46 39.66 3h2m s ILE 100 CO 0.06 0.32 1.12 -0.62 -2.11 0.00 0.00 174.94 173.71 3h2m s ASP 101 N 1.58 6.50 0.10 4.50 3.68 0.27 -0.42 116.67 132.88 3h2m s ASP 101 Ca 0.06 -1.72 -0.15 0.00 2.13 0.00 0.00 52.55 52.87 3h2m s ASP 101 Cb -0.15 -2.42 0.03 0.00 -1.45 0.00 0.00 42.92 38.92 3h2m s ASP 101 CO 0.02 -1.20 0.36 0.28 0.13 0.00 0.00 175.17 174.76 3h2m s THR 102 N 3.27 0.08 -0.62 1.71 -1.32 -0.95 -3.98 115.64 113.83 3h2m s THR 102 Ca 0.32 -0.66 0.06 0.00 -1.21 0.00 0.00 61.69 60.20 3h2m s THR 102 Cb -0.07 -1.13 0.14 0.00 -1.51 0.00 0.00 72.50 69.93 3h2m s THR 102 CO -0.05 -0.36 1.01 0.00 -2.21 0.00 0.00 174.62 173.01 3h2m n TYR 103 N 0.02 0.18 -4.06 9.09 0.18 -1.26 -3.75 117.16 117.56 3h2m n TYR 103 Ca -0.17 -0.34 -0.35 0.00 1.88 0.00 0.00 57.90 58.92 3h2m n TYR 103 Cb 0.62 -0.03 -0.09 0.00 -0.38 0.00 0.00 39.34 39.47 3h2m n TYR 103 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3h2m s LYS 104 N -0.85 3.70 0.18 -3.48 1.02 -1.26 -4.04 119.74 115.01 3h2m s LYS 104 Ca 0.11 -0.32 -0.11 0.00 0.02 0.00 0.00 55.97 55.67 3h2m s LYS 104 Cb 0.06 -3.12 0.10 0.00 -0.52 0.00 0.00 37.83 34.35 3h2m s LYS 104 CO 0.09 0.44 1.77 0.00 -0.92 0.00 0.00 175.35 176.72 3h2m h ALA 105 N 6.12 0.83 -0.09 5.17 0.00 -1.91 -1.14 119.26 128.23 3h2m h ALA 105 Ca -0.42 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.13 3h2m h ALA 105 Cb 1.18 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3h2m h ALA 105 CO 0.65 0.40 -0.80 1.49 0.00 0.00 0.00 179.25 180.99 3h2m h GLU 106 N 0.88 0.58 -0.52 0.00 4.57 -1.95 -1.35 114.58 116.79 3h2m h GLU 106 Ca 0.22 -0.50 -0.02 0.00 -1.18 0.00 0.00 59.36 57.88 3h2m h GLU 106 Cb 0.13 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 3h2m h GLU 106 CO -0.03 1.13 0.26 0.28 -1.18 0.00 0.00 179.01 179.47 3h2m h VAL 107 N 0.38 1.19 -0.79 0.32 2.07 -1.90 -2.17 116.25 115.36 3h2m h VAL 107 Ca -0.05 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 3h2m h VAL 107 Cb 1.41 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 3h2m h VAL 107 CO 0.15 0.21 0.34 0.00 0.02 0.00 0.00 177.57 178.29 3h2m h ALA 108 N 1.10 1.03 0.63 1.67 0.00 -0.99 -1.44 119.26 121.26 3h2m h ALA 108 Ca 0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3h2m h ALA 108 Cb 0.10 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.58 3h2m h ALA 108 CO -0.02 0.64 -0.30 -0.22 0.00 0.00 0.00 179.25 179.34 3h2m h LYS 109 N 1.15 -0.82 -0.99 0.00 3.64 -1.10 -2.12 116.57 116.33 3h2m h LYS 109 Ca 0.27 0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.78 3h2m h LYS 109 Cb 0.19 0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 32.12 3h2m h LYS 109 CO -0.03 -0.54 0.64 1.96 -2.27 0.00 0.00 179.45 179.21 3h2m h GLN 110 N -0.88 1.08 -0.34 1.90 1.08 -1.39 -1.53 115.11 115.03 3h2m h GLN 110 Ca -0.09 -0.07 -0.06 0.00 -1.45 0.00 0.00 58.65 56.99 3h2m h GLN 110 Cb 0.66 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.83 3h2m h GLN 110 CO 0.14 0.72 -0.04 0.00 -0.95 0.00 0.00 178.83 178.70 3h2m h ALA 111 N 1.48 1.31 -0.04 3.87 0.00 -1.09 0.72 119.26 125.51 3h2m h ALA 111 Ca 0.44 -0.23 -0.24 0.00 0.00 0.00 0.00 54.91 54.88 3h2m h ALA 111 Cb 0.24 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 17.90 3h2m h ALA 111 CO -0.19 0.47 -0.90 0.82 0.00 0.00 0.00 179.25 179.45 3h2m h ILE 112 N 0.51 1.30 0.00 0.00 2.04 -1.13 0.44 117.51 120.67 3h2m h ILE 112 Ca 0.10 -2.13 -0.02 0.00 1.00 0.00 0.00 64.86 63.81 3h2m h ILE 112 Cb 0.39 2.30 -0.00 0.00 -0.74 0.00 0.00 36.82 38.77 3h2m h ILE 112 CO 0.02 0.66 -0.08 -0.33 0.00 0.00 0.00 178.15 178.41 3h2m h GLU 113 N 0.36 0.00 -0.01 2.37 4.39 -1.04 -0.48 114.58 120.17 3h2m h GLU 113 Ca -0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.60 3h2m h GLU 113 Cb 1.55 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.20 3h2m h GLU 113 CO 0.18 0.08 -0.14 0.00 -1.16 0.00 0.00 179.01 177.98 3h2m n ALA 114 N -2.19 2.83 0.00 3.43 0.00 0.23 -4.94 120.51 119.86 3h2m n ALA 114 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.94 3h2m n ALA 114 Cb 0.25 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3h2m n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2m n GLY 115 N 1.28 0.64 3.82 0.00 0.00 -0.19 -3.77 105.19 106.97 3h2m n GLY 115 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3h2m n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2m s ALA 116 N -1.57 3.07 -0.08 4.61 0.00 0.15 -4.73 121.76 123.20 3h2m s ALA 116 Ca 0.00 0.39 0.12 0.00 0.00 0.00 0.00 51.96 52.47 3h2m s ALA 116 Cb 0.00 -3.13 -0.18 0.00 0.00 0.00 0.00 23.12 19.81 3h2m s ALA 116 CO 0.00 0.14 0.15 0.72 0.00 0.00 0.00 175.76 176.77 3h2m n HIS 117 N -0.53 0.00 -3.97 0.00 -0.00 0.14 -4.38 115.22 106.49 3h2m n HIS 117 Ca 0.06 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.65 3h2m n HIS 117 Cb 0.54 -0.51 -0.14 0.00 -0.00 0.00 0.00 29.99 29.87 3h2m n HIS 117 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3h2m s ILE 118 N -2.57 0.15 -0.15 1.59 1.01 -0.62 -4.05 121.20 116.56 3h2m s ILE 118 Ca -0.06 -0.06 -0.13 0.00 0.00 0.00 0.00 60.65 60.41 3h2m s ILE 118 Cb 0.06 -0.14 -0.05 0.00 0.01 0.00 0.00 42.46 42.34 3h2m s ILE 118 CO 0.55 0.05 0.27 -0.63 0.00 0.00 0.00 174.94 175.18 3h2m s ILE 119 N 0.08 5.31 -0.46 2.92 1.01 0.19 -1.24 121.20 129.02 3h2m s ILE 119 Ca -0.01 0.50 -0.02 0.00 0.00 0.00 0.00 60.65 61.13 3h2m s ILE 119 Cb -0.02 -3.60 0.12 0.00 0.01 0.00 0.00 42.46 38.97 3h2m s ILE 119 CO -0.00 0.43 0.26 0.21 0.00 0.00 0.00 174.94 175.84 3h2m s ASN 120 N 0.19 5.19 -0.37 3.58 2.47 0.44 -0.15 114.94 126.29 3h2m s ASN 120 Ca 0.16 -2.28 -0.14 0.00 0.42 0.00 0.00 52.86 51.02 3h2m s ASN 120 Cb -0.13 -1.82 -0.00 0.00 -1.45 0.00 0.00 41.25 37.85 3h2m s ASN 120 CO 0.04 -0.48 0.30 -0.62 -3.72 0.00 0.00 177.10 172.62 3h2m s ASP 121 N 1.42 6.11 0.00 -4.21 3.68 -0.52 -2.24 116.67 120.91 3h2m s ASP 121 Ca 0.11 -0.53 0.19 0.00 2.13 0.00 0.00 52.55 54.45 3h2m s ASP 121 Cb -0.22 -2.16 0.91 0.00 -1.45 0.00 0.00 42.92 40.00 3h2m s ASP 121 CO -0.04 -0.35 1.59 2.30 0.13 0.00 0.00 175.17 178.80 3h2m n ILE 122 N 5.18 0.51 -0.04 4.11 -5.35 -1.26 -2.11 119.36 120.41 3h2m n ILE 122 Ca -0.11 0.13 0.05 0.00 -0.27 0.00 0.00 62.75 62.54 3h2m n ILE 122 Cb 0.49 -0.81 0.11 0.00 -1.74 0.00 0.00 39.64 37.68 3h2m n ILE 122 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3h2m n TRP 123 N -1.35 0.30 -3.91 4.28 7.02 -1.26 -4.45 117.44 118.07 3h2m n TRP 123 Ca 0.08 -0.40 -0.28 0.00 -1.02 0.00 0.00 57.50 55.88 3h2m n TRP 123 Cb 0.17 -0.02 0.01 0.00 -2.42 0.00 0.00 31.31 29.05 3h2m n TRP 123 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3h2m n GLY 124 N 0.36 -0.40 2.95 6.99 0.00 -1.04 -1.03 105.19 113.01 3h2m n GLY 124 Ca 0.09 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3h2m n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2m n ALA 125 N -4.51 0.00 0.03 4.61 0.00 -1.26 -4.57 120.51 114.81 3h2m n ALA 125 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.21 3h2m n ALA 125 Cb 0.58 -0.94 -0.14 0.00 0.00 0.00 0.00 19.45 18.95 3h2m n ALA 125 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3h2m h LYS 126 N 0.48 0.17 -0.28 0.00 1.57 -1.47 -2.95 116.57 114.08 3h2m h LYS 126 Ca 0.00 -0.30 -0.06 0.00 -1.87 0.00 0.00 60.65 58.42 3h2m h LYS 126 Cb 0.51 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 3h2m h LYS 126 CO 0.00 0.97 -0.07 0.00 -0.57 0.00 0.00 179.45 179.78 3h2m h ALA 127 N 0.58 0.39 -2.34 3.86 0.00 -1.88 -3.39 119.26 116.48 3h2m h ALA 127 Ca -0.27 -0.28 -0.52 0.00 0.00 0.00 0.00 54.91 53.84 3h2m h ALA 127 Cb 2.00 -0.10 -0.36 0.00 0.00 0.00 0.00 17.79 19.33 3h2m h ALA 127 CO 0.13 0.20 -0.84 -1.21 0.00 0.00 0.00 179.25 177.53 3h2m s GLU 128 N -4.77 0.68 0.56 0.00 2.02 -1.26 -5.00 118.70 110.93 3h2m s GLU 128 Ca -0.13 -1.43 0.25 0.00 0.02 0.00 0.00 54.97 53.67 3h2m s GLU 128 Cb 0.08 -1.16 1.52 0.00 0.10 0.00 0.00 34.13 34.67 3h2m s GLU 128 CO 0.77 -1.26 2.11 -1.35 0.02 0.00 0.00 175.26 175.55 3h2m h PRO 129 N 6.58 0.00 0.00 0.39 0.11 -1.73 -0.60 132.00 136.75 3h2m h PRO 129 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3h2m h PRO 129 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3h2m h PRO 129 CO 0.27 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 178.93 3h2m h LYS 130 N 0.00 0.00 0.00 1.05 1.57 -1.95 -0.76 116.57 116.49 3h2m h LYS 130 Ca 0.09 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 3h2m h LYS 130 Cb 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 3h2m h LYS 130 CO -0.00 0.00 -0.11 0.97 -0.57 0.00 0.00 179.45 179.74 3h2m h ILE 131 N 0.00 0.68 -0.00 1.86 2.10 -1.44 -1.08 117.51 119.64 3h2m h ILE 131 Ca 0.00 -0.45 -0.19 0.00 1.08 0.00 0.00 64.86 65.30 3h2m h ILE 131 Cb 0.01 1.28 -0.01 0.00 -1.09 0.00 0.00 36.82 37.00 3h2m h ILE 131 CO 0.00 0.11 -0.85 0.00 -1.08 0.00 0.00 178.15 176.33 3h2m h ALA 132 N 1.89 0.57 -0.56 0.18 0.00 -1.34 -0.43 119.26 119.57 3h2m h ALA 132 Ca -0.00 -0.72 -0.09 0.00 0.00 0.00 0.00 54.91 54.10 3h2m h ALA 132 Cb 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3h2m h ALA 132 CO 0.01 0.93 -0.01 0.93 0.00 0.00 0.00 179.25 181.11 3h2m h GLU 133 N 0.08 1.00 -0.05 0.00 5.08 -1.38 0.43 114.58 119.75 3h2m h GLU 133 Ca -0.03 -0.32 0.03 0.00 -1.00 0.00 0.00 59.36 58.03 3h2m h GLU 133 Cb 1.47 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.59 3h2m h GLU 133 CO 0.12 1.00 -0.17 0.28 -1.00 0.00 0.00 179.01 179.25 3h2m h VAL 134 N 0.89 0.58 -0.42 3.13 2.07 -1.03 0.40 116.25 121.86 3h2m h VAL 134 Ca 0.16 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.70 3h2m h VAL 134 Cb 0.56 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3h2m h VAL 134 CO 0.03 0.00 0.24 0.00 0.02 0.00 0.00 177.57 177.86 3h2m h ALA 135 N 0.72 0.54 -0.17 1.67 0.00 -0.73 -2.16 119.26 119.13 3h2m h ALA 135 Ca 0.07 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3h2m h ALA 135 Cb 0.35 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3h2m h ALA 135 CO -0.20 -0.09 -0.14 0.00 0.00 0.00 0.00 179.25 178.83 3h2m h ALA 136 N 1.20 -0.02 0.56 0.00 0.00 -0.02 0.12 119.26 121.10 3h2m h ALA 136 Ca 0.17 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3h2m h ALA 136 Cb 0.02 0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.12 3h2m h ALA 136 CO -0.09 -0.58 -0.27 1.25 0.00 0.00 0.00 179.25 179.57 3h2m h HIS 137 N -0.15 -0.70 0.00 0.00 6.17 -0.65 -2.98 115.15 116.84 3h2m h HIS 137 Ca 0.10 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.17 3h2m h HIS 137 Cb 0.31 0.23 0.00 0.00 2.52 0.00 0.00 27.41 30.47 3h2m h HIS 137 CO -0.28 -0.41 0.00 0.66 0.71 0.00 0.00 177.93 178.62 3h2m n TYR 138 N -5.39 0.75 -2.66 5.26 4.01 -0.84 -4.90 117.16 113.38 3h2m n TYR 138 Ca -0.12 0.29 -0.12 0.00 -0.16 0.00 0.00 57.90 57.79 3h2m n TYR 138 Cb 0.32 -0.96 0.02 0.00 -0.31 0.00 0.00 39.34 38.41 3h2m n TYR 138 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3h2m n ASP 139 N -2.17 -3.96 -4.90 7.72 4.64 0.41 -5.02 116.55 113.27 3h2m n ASP 139 Ca 0.03 -0.15 -0.30 0.00 -1.38 0.00 0.00 54.79 52.99 3h2m n ASP 139 Cb 0.24 -2.84 -0.04 0.00 -1.04 0.00 0.00 41.12 37.44 3h2m n ASP 139 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3h2m s VAL 140 N -2.87 5.11 0.42 5.18 -7.23 -1.08 -4.95 120.40 114.97 3h2m s VAL 140 Ca 0.16 -0.01 -0.27 0.00 -1.81 0.00 0.00 61.98 60.06 3h2m s VAL 140 Cb -0.07 -3.68 -0.10 0.00 0.56 0.00 0.00 36.38 33.09 3h2m s VAL 140 CO 0.20 -0.13 1.47 -2.65 -0.31 0.00 0.00 175.10 173.68 3h2m n PRO 141 N -0.41 2.48 -4.32 4.82 -0.02 -1.26 -4.81 135.00 131.48 3h2m n PRO 141 Ca -0.02 0.88 -0.23 0.00 -2.02 0.00 0.00 63.50 62.10 3h2m n PRO 141 Cb 0.53 -2.67 -0.17 0.00 -0.02 0.00 0.00 33.50 31.18 3h2m n PRO 141 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3h2m s ILE 142 N -1.16 0.85 -0.21 4.25 2.07 0.69 -0.64 121.20 127.05 3h2m s ILE 142 Ca 0.57 -0.29 -0.19 0.00 -1.41 0.00 0.00 60.65 59.33 3h2m s ILE 142 Cb -0.46 -0.83 -0.03 0.00 0.13 0.00 0.00 42.46 41.28 3h2m s ILE 142 CO 0.61 0.30 0.56 -0.63 -1.91 0.00 0.00 174.94 173.86 3h2m s ILE 143 N 0.91 5.07 -0.37 2.00 1.01 0.79 -2.42 121.20 128.19 3h2m s ILE 143 Ca -0.11 1.02 -0.11 0.00 0.00 0.00 0.00 60.65 61.45 3h2m s ILE 143 Cb -0.15 -3.87 0.02 0.00 0.01 0.00 0.00 42.46 38.47 3h2m s ILE 143 CO 0.01 0.14 0.21 -0.76 0.00 0.00 0.00 174.94 174.53 3h2m s LEU 144 N 1.87 4.65 -0.05 2.97 1.43 -0.60 -1.44 118.68 127.51 3h2m s LEU 144 Ca 0.25 -0.91 -0.04 0.00 -1.03 0.00 0.00 54.13 52.40 3h2m s LEU 144 Cb -0.16 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 3h2m s LEU 144 CO 0.10 -0.36 0.16 -0.32 0.23 0.00 0.00 176.35 176.16 3h2m s MET 145 N 1.57 3.42 0.11 1.70 1.75 -0.90 -2.12 119.30 124.83 3h2m s MET 145 Ca 0.03 -0.26 -0.31 0.00 -1.25 0.00 0.00 55.69 53.89 3h2m s MET 145 Cb -0.19 -3.11 -0.09 0.00 2.84 0.00 0.00 34.83 34.28 3h2m s MET 145 CO 0.07 0.71 1.61 -1.58 -0.65 0.00 0.00 175.02 175.18 3h2m s HIS 146 N -1.21 2.71 0.17 4.11 2.46 0.01 -3.28 115.29 120.26 3h2m s HIS 146 Ca 0.23 0.47 -0.19 0.00 0.47 0.00 0.00 55.06 56.03 3h2m s HIS 146 Cb -0.12 -3.94 0.05 0.00 -0.13 0.00 0.00 32.58 28.43 3h2m s HIS 146 CO 0.13 -3.64 0.53 1.21 -2.47 0.00 0.00 174.74 170.51 3h2m s ASN 147 N 1.84 -0.38 -0.08 9.88 3.84 -1.26 -4.19 114.94 124.60 3h2m s ASN 147 Ca 0.72 -0.25 -0.30 0.00 0.21 0.00 0.00 52.86 53.24 3h2m s ASN 147 Cb -0.41 0.57 0.12 0.00 -0.55 0.00 0.00 41.25 40.97 3h2m s ASN 147 CO 0.32 -0.98 0.98 0.00 -2.79 0.00 0.00 177.10 174.63 3h2m s ARG 148 N -3.81 0.66 -0.00 0.43 1.70 -1.26 -5.02 118.95 111.65 3h2m s ARG 148 Ca 0.04 -0.16 0.03 0.00 -0.47 0.00 0.00 55.73 55.17 3h2m s ARG 148 Cb -0.00 0.31 0.08 0.00 -0.57 0.00 0.00 34.95 34.76 3h2m s ARG 148 CO -0.09 -0.27 1.01 -0.40 -1.08 0.00 0.00 175.30 174.47 3h2m n ASP 149 N 0.02 0.60 -3.90 -2.89 5.68 -1.26 -4.59 116.55 110.21 3h2m n ASP 149 Ca -0.07 -2.01 -0.09 0.00 -0.50 0.00 0.00 54.79 52.11 3h2m n ASP 149 Cb 0.60 -0.12 -0.06 0.00 -1.14 0.00 0.00 41.12 40.41 3h2m n ASP 149 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3h2m s ASN 150 N -0.89 -0.09 -0.27 -1.12 2.20 -1.26 -5.06 114.94 108.46 3h2m s ASN 150 Ca 0.06 -0.77 0.09 0.00 -0.94 0.00 0.00 52.86 51.30 3h2m s ASN 150 Cb 0.03 0.52 0.48 0.00 -2.00 0.00 0.00 41.25 40.28 3h2m s ASN 150 CO 0.04 -1.01 1.38 0.23 -2.94 0.00 0.00 177.10 174.80 3h2m n MET 151 N -0.30 1.82 -1.79 3.55 2.81 -1.26 -4.83 117.12 117.12 3h2m n MET 151 Ca -0.07 -3.27 -0.41 0.00 -1.81 0.00 0.00 57.70 52.14 3h2m n MET 151 Cb 0.63 -1.78 -0.01 0.00 -0.71 0.00 0.00 33.22 31.35 3h2m n MET 151 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3h2m n ASN 152 N -1.11 6.40 -4.72 7.83 3.02 -1.26 -4.96 115.26 120.46 3h2m n ASN 152 Ca 0.30 -2.88 -0.42 0.00 -0.03 0.00 0.00 54.58 51.55 3h2m n ASN 152 Cb 0.92 -1.53 -0.03 0.00 -0.61 0.00 0.00 39.78 38.53 3h2m n ASN 152 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3h2m s TYR 153 N 1.42 3.54 -0.11 3.10 1.51 -1.26 -4.94 117.35 120.61 3h2m s TYR 153 Ca 0.53 1.48 -0.23 0.00 -1.01 0.00 0.00 57.07 57.85 3h2m s TYR 153 Cb 0.15 -3.31 -0.20 0.00 -0.11 0.00 0.00 41.96 38.50 3h2m s TYR 153 CO -0.06 -0.78 0.69 -0.09 -1.11 0.00 0.00 175.55 174.20 3h2m h ARG 154 N 6.23 -0.03 -2.63 -0.62 2.43 -2.02 -3.44 114.38 114.30 3h2m h ARG 154 Ca -0.42 0.00 -0.40 0.00 -0.81 0.00 0.00 59.98 58.35 3h2m h ARG 154 Cb 1.21 0.01 -0.37 0.00 -0.42 0.00 0.00 29.97 30.40 3h2m h ARG 154 CO 0.77 0.69 -0.69 1.21 -1.51 0.00 0.00 179.97 180.44 3h2m s ASN 155 N -5.97 2.17 0.18 -3.80 2.47 -1.26 -5.07 114.94 103.66 3h2m s ASN 155 Ca -0.15 -0.67 -0.22 0.00 0.42 0.00 0.00 52.86 52.24 3h2m s ASN 155 Cb -0.02 0.09 0.08 0.00 -1.45 0.00 0.00 41.25 39.95 3h2m s ASN 155 CO 0.54 -0.37 1.42 -0.11 -3.72 0.00 0.00 177.10 174.86 3h2m n LEU 156 N 5.29 -0.78 -0.04 3.21 7.94 -1.26 -0.75 117.00 130.61 3h2m n LEU 156 Ca -0.05 1.61 -0.17 0.00 -1.11 0.00 0.00 56.01 56.29 3h2m n LEU 156 Cb 0.47 -0.29 -0.06 0.00 0.53 0.00 0.00 43.42 44.07 3h2m n LEU 156 CO 0.06 -1.38 0.31 0.24 -1.11 0.00 0.00 177.39 175.51 3h2m h MET 157 N 0.00 0.82 -0.73 1.96 2.86 -1.97 0.63 114.93 118.49 3h2m h MET 157 Ca 0.23 -0.63 0.02 0.00 -2.06 0.00 0.00 59.70 57.26 3h2m h MET 157 Cb 0.46 0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.20 3h2m h MET 157 CO -0.88 1.24 0.48 0.00 1.06 0.00 0.00 176.91 178.81 3h2m h ALA 158 N 0.59 0.94 -0.36 6.32 0.00 -1.79 -1.05 119.26 123.91 3h2m h ALA 158 Ca -0.04 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 3h2m h ALA 158 Cb 1.35 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3h2m h ALA 158 CO 0.15 0.32 -0.24 -0.44 0.00 0.00 0.00 179.25 179.05 3h2m h ASP 159 N 0.97 0.84 -0.54 0.00 3.32 -0.73 -0.98 116.42 119.29 3h2m h ASP 159 Ca 0.28 -0.43 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 3h2m h ASP 159 Cb -0.07 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.22 3h2m h ASP 159 CO -0.08 1.09 0.21 -0.03 -1.72 0.00 0.00 179.24 178.71 3h2m h MET 160 N 0.59 0.82 -0.34 3.56 1.85 -0.60 0.19 114.93 120.99 3h2m h MET 160 Ca 0.07 -0.15 -0.09 0.00 -0.61 0.00 0.00 59.70 58.92 3h2m h MET 160 Cb 0.80 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 32.69 3h2m h MET 160 CO 0.07 0.72 -0.14 0.82 -0.40 0.00 0.00 176.91 177.97 3h2m h ILE 161 N 0.74 1.29 -0.03 1.77 2.04 -1.21 0.22 117.51 122.33 3h2m h ILE 161 Ca 0.18 -1.24 0.03 0.00 1.00 0.00 0.00 64.86 64.83 3h2m h ILE 161 Cb 0.21 1.37 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 3h2m h ILE 161 CO -0.01 0.41 -0.23 0.00 0.00 0.00 0.00 178.15 178.31 3h2m h ALA 162 N 0.79 -0.29 -0.49 1.87 0.00 -1.01 0.22 119.26 120.34 3h2m h ALA 162 Ca 0.08 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3h2m h ALA 162 Cb 0.67 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3h2m h ALA 162 CO 0.05 -0.72 0.33 -0.44 0.00 0.00 0.00 179.25 178.46 3h2m h ASP 163 N -0.35 0.56 -0.81 0.00 3.32 -0.41 -1.43 116.42 117.30 3h2m h ASP 163 Ca 0.07 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.16 3h2m h ASP 163 Cb 0.45 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.80 3h2m h ASP 163 CO -0.23 0.41 0.50 -0.07 -1.72 0.00 0.00 179.24 178.13 3h2m h LEU 164 N 0.67 0.79 -1.08 1.55 3.38 -0.45 -2.57 115.31 117.59 3h2m h LEU 164 Ca 0.18 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3h2m h LEU 164 Cb -0.07 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 3h2m h LEU 164 CO -0.04 0.51 0.45 0.22 0.09 0.00 0.00 178.44 179.67 3h2m h TYR 165 N 0.92 1.06 -0.09 1.13 3.20 -0.25 -0.09 116.97 122.86 3h2m h TYR 165 Ca 0.35 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.19 3h2m h TYR 165 Cb 0.14 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 3h2m h TYR 165 CO -0.04 0.72 -0.01 -0.44 -1.64 0.00 0.00 178.16 176.76 3h2m h ASP 166 N 1.10 0.11 -0.26 -2.11 3.32 -0.91 -1.18 116.42 116.49 3h2m h ASP 166 Ca 0.28 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.15 3h2m h ASP 166 Cb -0.00 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3h2m h ASP 166 CO -0.05 0.14 -0.50 0.28 -1.72 0.00 0.00 179.24 177.39 3h2m h SER 167 N 0.12 0.89 -0.61 6.45 0.02 -0.69 -2.92 113.55 116.82 3h2m h SER 167 Ca 0.03 -0.54 -0.09 0.00 -0.84 0.00 0.00 61.79 60.35 3h2m h SER 167 Cb 0.10 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 3h2m h SER 167 CO 0.00 1.26 0.03 0.40 -1.14 0.00 0.00 176.83 177.38 3h2m h ILE 168 N 0.55 1.26 -0.68 3.27 2.04 -0.60 -1.06 117.51 122.29 3h2m h ILE 168 Ca 0.01 -1.12 -0.00 0.00 1.00 0.00 0.00 64.86 64.75 3h2m h ILE 168 Cb 1.11 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 3h2m h ILE 168 CO 0.11 0.41 0.42 0.50 0.00 0.00 0.00 178.15 179.59 3h2m h LYS 169 N 0.98 0.92 -0.26 2.37 1.63 -1.29 0.19 116.57 121.11 3h2m h LYS 169 Ca 0.18 -0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 59.88 3h2m h LYS 169 Cb 0.53 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 3h2m h LYS 169 CO 0.03 0.65 0.10 0.82 -3.45 0.00 0.00 179.45 177.59 3h2m h ILE 170 N 0.93 1.18 -0.03 2.00 2.04 -1.30 0.45 117.51 122.78 3h2m h ILE 170 Ca 0.25 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.55 3h2m h ILE 170 Cb -0.04 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3h2m h ILE 170 CO -0.05 0.19 -0.04 0.00 0.00 0.00 0.00 178.15 178.25 3h2m h ALA 171 N 0.93 -0.01 -0.24 1.87 0.00 -1.02 -2.59 119.26 118.20 3h2m h ALA 171 Ca 0.09 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3h2m h ALA 171 Cb 0.20 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3h2m h ALA 171 CO -0.01 -0.52 -0.32 0.87 0.00 0.00 0.00 179.25 179.27 3h2m h LYS 172 N -0.06 0.51 0.00 0.00 1.57 -0.56 -1.16 116.57 116.87 3h2m h LYS 172 Ca 0.03 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.55 3h2m h LYS 172 Cb 0.09 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3h2m h LYS 172 CO -0.06 0.77 -0.18 -0.44 -0.57 0.00 0.00 179.45 178.97 3h2m h ASP 173 N 0.43 0.00 0.24 0.86 3.45 -0.84 -1.46 116.42 119.10 3h2m h ASP 173 Ca 0.05 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.51 3h2m h ASP 173 Cb 0.77 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.54 3h2m h ASP 173 CO 0.06 0.18 -0.07 0.00 -1.57 0.00 0.00 179.24 177.84 3h2m n ALA 174 N -2.38 2.71 -0.34 3.45 0.00 -0.93 -4.91 120.51 118.11 3h2m n ALA 174 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3h2m n ALA 174 Cb 0.27 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3h2m n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2m n GLY 175 N 1.21 0.81 3.71 0.00 0.00 -0.55 -4.67 105.19 105.69 3h2m n GLY 175 Ca 0.17 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3h2m n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h2m s VAL 176 N -2.00 2.86 0.31 1.61 1.01 -0.48 -4.80 120.40 118.89 3h2m s VAL 176 Ca 0.00 0.53 -0.28 0.00 0.00 0.00 0.00 61.98 62.23 3h2m s VAL 176 Cb 0.00 -3.34 -0.09 0.00 0.00 0.00 0.00 36.38 32.94 3h2m s VAL 176 CO 0.00 0.03 1.09 -0.13 0.00 0.00 0.00 175.10 176.08 3h2m s ARG 177 N 1.62 4.54 0.43 2.72 0.52 -1.26 -4.44 118.95 123.07 3h2m s ARG 177 Ca 0.70 1.74 0.27 0.00 -0.52 0.00 0.00 55.73 57.92 3h2m s ARG 177 Cb -0.41 -3.05 1.32 0.00 0.52 0.00 0.00 34.95 33.33 3h2m s ARG 177 CO 0.31 0.14 1.68 -0.44 0.02 0.00 0.00 175.30 177.01 3h2m h ASP 178 N 3.53 0.30 1.06 0.23 3.32 -1.97 0.32 116.42 123.21 3h2m h ASP 178 Ca -0.47 0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.69 3h2m h ASP 178 Cb 1.21 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3h2m h ASP 178 CO 0.66 -0.08 0.00 -0.33 -1.72 0.00 0.00 179.24 177.77 3h2m h GLU 179 N 0.19 0.00 -0.63 3.56 5.08 -2.00 -2.42 114.58 118.36 3h2m h GLU 179 Ca 0.73 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.09 3h2m h GLU 179 Cb 2.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.45 3h2m h GLU 179 CO -0.35 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.75 3h2m n ASN 180 N -2.44 3.91 -4.38 1.42 3.02 0.10 -4.86 115.26 112.03 3h2m n ASN 180 Ca 0.03 -2.28 -0.37 0.00 -0.03 0.00 0.00 54.58 51.93 3h2m n ASN 180 Cb 0.31 -0.50 -0.13 0.00 -0.61 0.00 0.00 39.78 38.85 3h2m n ASN 180 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3h2m s ILE 181 N -1.64 4.00 0.04 2.41 1.01 -0.91 -0.22 121.20 125.88 3h2m s ILE 181 Ca 0.43 -0.45 0.06 0.00 0.00 0.00 0.00 60.65 60.69 3h2m s ILE 181 Cb 0.26 -2.94 -0.03 0.00 0.01 0.00 0.00 42.46 39.76 3h2m s ILE 181 CO 0.23 0.24 -0.16 -0.63 0.00 0.00 0.00 174.94 174.62 3h2m s ILE 182 N 1.54 2.97 0.35 2.92 1.01 -1.02 -4.13 121.20 124.85 3h2m s ILE 182 Ca 0.05 -1.11 0.08 0.00 0.00 0.00 0.00 60.65 59.67 3h2m s ILE 182 Cb -0.16 -2.26 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 3h2m s ILE 182 CO 0.02 0.34 0.08 -0.76 0.00 0.00 0.00 174.94 174.62 3h2m s LEU 183 N -1.45 3.09 -0.18 2.97 1.43 0.44 -1.56 118.68 123.40 3h2m s LEU 183 Ca 0.15 -0.95 -0.09 0.00 -1.03 0.00 0.00 54.13 52.22 3h2m s LEU 183 Cb -0.11 -1.47 0.07 0.00 0.03 0.00 0.00 46.19 44.71 3h2m s LEU 183 CO 0.06 -0.31 0.42 -0.62 0.23 0.00 0.00 176.35 176.13 3h2m s ASP 184 N -3.79 -0.48 0.00 2.29 3.68 -0.90 -0.37 116.67 117.11 3h2m s ASP 184 Ca 0.37 0.93 0.14 0.00 2.13 0.00 0.00 52.55 56.12 3h2m s ASP 184 Cb 0.00 0.90 0.81 0.00 -1.45 0.00 0.00 42.92 43.18 3h2m s ASP 184 CO 0.21 -0.20 1.24 -0.81 0.13 0.00 0.00 175.17 175.74 3h2m n PRO 185 N 4.48 0.52 -3.90 4.34 -0.04 -1.26 -0.81 135.00 138.34 3h2m n PRO 185 Ca -0.20 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 62.98 3h2m n PRO 185 Cb 0.54 -1.41 -0.01 0.00 -0.04 0.00 0.00 33.50 32.59 3h2m n PRO 185 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h2m n GLY 186 N 0.04 -0.42 3.70 0.55 0.00 -1.26 -4.52 105.19 103.29 3h2m n GLY 186 Ca 0.10 0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 3h2m n GLY 186 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h2m s ILE 187 N -3.84 2.40 0.00 -0.61 -1.09 -1.26 -1.60 121.20 115.20 3h2m s ILE 187 Ca 0.13 0.12 0.00 0.00 -2.23 0.00 0.00 60.65 58.67 3h2m s ILE 187 Cb -0.05 -3.07 0.00 0.00 -1.58 0.00 0.00 42.46 37.75 3h2m s ILE 187 CO 0.89 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 175.21 3h2m n GLY 188 N 4.07 0.60 3.19 6.18 0.00 -1.26 -4.87 105.19 113.10 3h2m n GLY 188 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3h2m n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h2m s PHE 189 N -2.37 2.72 -1.71 1.61 0.40 -0.63 -4.73 117.98 113.27 3h2m s PHE 189 Ca 0.00 -1.31 -0.02 0.00 -0.60 0.00 0.00 56.93 55.00 3h2m s PHE 189 Cb 0.00 -1.85 0.00 0.00 0.51 0.00 0.00 43.02 41.68 3h2m s PHE 189 CO 0.00 -0.61 0.23 0.00 0.70 0.00 0.00 175.22 175.54 3h2m n ALA 190 N 4.16 -0.75 -3.33 5.36 0.00 -1.26 -4.81 120.51 119.88 3h2m n ALA 190 Ca -0.20 0.22 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 3h2m n ALA 190 Cb 0.51 -2.85 -0.14 0.00 0.00 0.00 0.00 19.45 16.97 3h2m n ALA 190 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3h2m s LYS 191 N -5.29 0.03 0.96 0.00 1.02 -1.26 -4.48 119.74 110.71 3h2m s LYS 191 Ca 0.11 0.16 -0.12 0.00 0.02 0.00 0.00 55.97 56.14 3h2m s LYS 191 Cb -0.05 -0.09 0.16 0.00 -0.52 0.00 0.00 37.83 37.33 3h2m s LYS 191 CO 0.14 -0.09 1.09 0.95 -0.92 0.00 0.00 175.35 176.53 3h2m s THR 192 N 0.55 2.32 0.37 2.17 -4.23 -1.26 -4.78 115.64 110.78 3h2m s THR 192 Ca -0.04 0.10 0.07 0.00 -1.18 0.00 0.00 61.69 60.64 3h2m s THR 192 Cb -0.06 -2.58 0.30 0.00 1.34 0.00 0.00 72.50 71.50 3h2m s THR 192 CO -0.02 -0.14 1.94 -0.65 -0.54 0.00 0.00 174.62 175.22 3h2m h PRO 193 N -1.76 0.69 -0.37 3.99 0.11 -1.97 -1.93 132.00 130.76 3h2m h PRO 193 Ca -0.52 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.42 3h2m h PRO 193 Cb 1.31 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3h2m h PRO 193 CO 0.56 0.46 -0.26 0.93 -0.21 0.00 0.00 178.00 179.48 3h2m h GLU 194 N 0.71 0.83 -0.89 1.05 3.07 -1.98 -2.73 114.58 114.64 3h2m h GLU 194 Ca 0.33 -0.40 0.06 0.00 -0.50 0.00 0.00 59.36 58.85 3h2m h GLU 194 Cb 0.37 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.22 3h2m h GLU 194 CO -0.12 1.03 0.58 1.96 -1.40 0.00 0.00 179.01 181.06 3h2m h GLN 195 N 0.62 1.00 -0.95 2.33 4.20 -1.87 -0.74 115.11 119.71 3h2m h GLN 195 Ca 0.07 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.75 3h2m h GLN 195 Cb 0.83 -0.23 -0.05 0.00 0.30 0.00 0.00 27.48 28.33 3h2m h GLN 195 CO 0.07 0.66 0.62 -0.91 -0.67 0.00 0.00 178.83 178.60 3h2m h ASN 196 N 1.03 1.05 0.55 1.46 2.35 -1.19 -1.01 115.58 119.83 3h2m h ASN 196 Ca 0.37 -0.02 -0.17 0.00 -0.55 0.00 0.00 56.30 55.94 3h2m h ASN 196 Cb 0.15 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3h2m h ASN 196 CO -0.13 0.73 -0.76 -0.07 -1.65 0.00 0.00 177.43 175.55 3h2m h LEU 197 N 1.23 0.20 -0.84 1.61 3.38 -1.25 -2.33 115.31 117.30 3h2m h LEU 197 Ca 0.37 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 3h2m h LEU 197 Cb -0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3h2m h LEU 197 CO -0.11 0.88 -0.15 -0.08 0.09 0.00 0.00 178.44 179.08 3h2m h GLU 198 N 0.10 0.70 -0.08 1.13 4.81 -0.78 -1.14 114.58 119.33 3h2m h GLU 198 Ca -0.02 -0.24 -0.14 0.00 -0.13 0.00 0.00 59.36 58.83 3h2m h GLU 198 Cb 1.34 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.67 3h2m h GLU 198 CO 0.11 0.82 -0.48 0.00 -0.73 0.00 0.00 179.01 178.73 3h2m h ALA 199 N 1.20 0.17 -0.21 2.92 0.00 -1.01 -2.63 119.26 119.70 3h2m h ALA 199 Ca 0.10 -0.50 0.05 0.00 0.00 0.00 0.00 54.91 54.56 3h2m h ALA 199 Cb 0.61 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 3h2m h ALA 199 CO 0.04 0.34 -0.17 0.52 0.00 0.00 0.00 179.25 179.98 3h2m h MET 200 N 0.03 -0.17 -0.10 0.00 2.86 -1.43 0.41 114.93 116.53 3h2m h MET 200 Ca -0.04 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.64 3h2m h MET 200 Cb 1.14 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.83 3h2m h MET 200 CO 0.10 -0.11 0.10 -0.09 1.06 0.00 0.00 176.91 177.96 3h2m h ARG 201 N -0.18 0.00 0.00 1.72 2.43 -1.16 -2.99 114.38 114.19 3h2m h ARG 201 Ca 0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3h2m h ARG 201 Cb 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3h2m h ARG 201 CO -0.31 0.00 -0.01 0.09 -1.51 0.00 0.00 179.97 178.22 3h2m n ASN 202 N -4.00 1.96 -0.30 -3.80 3.02 -0.62 -4.76 115.26 106.76 3h2m n ASN 202 Ca -0.01 -2.31 0.25 0.00 -0.03 0.00 0.00 54.58 52.49 3h2m n ASN 202 Cb 0.20 -0.15 0.58 0.00 -0.61 0.00 0.00 39.78 39.80 3h2m n ASN 202 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3h2m h LEU 203 N 0.00 0.31 -2.38 3.41 3.38 -0.07 -2.29 115.31 117.66 3h2m h LEU 203 Ca 0.00 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3h2m h LEU 203 Cb 0.71 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 3h2m h LEU 203 CO 0.00 0.07 0.10 1.05 0.09 0.00 0.00 178.44 179.75 3h2m h GLU 204 N 0.28 0.00 -0.07 1.13 9.09 -1.86 -2.07 114.58 121.08 3h2m h GLU 204 Ca 0.55 0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.98 3h2m h GLU 204 Cb 1.62 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.72 3h2m h GLU 204 CO -0.19 0.00 0.20 1.96 0.05 0.00 0.00 179.01 181.02 3h2m h GLN 205 N 0.00 0.00 0.00 1.06 4.20 -1.76 -2.08 115.11 116.52 3h2m h GLN 205 Ca 0.04 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 3h2m h GLN 205 Cb 0.23 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3h2m h GLN 205 CO -0.00 0.00 -0.44 -0.07 -0.67 0.00 0.00 178.83 177.65 3h2m h LEU 206 N 0.00 0.00 -2.24 1.46 3.38 -1.59 -2.86 115.31 113.45 3h2m h LEU 206 Ca 0.03 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.04 3h2m h LEU 206 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3h2m h LEU 206 CO -0.00 0.44 0.25 0.78 0.09 0.00 0.00 178.44 180.00 3h2m h ASN 207 N 0.00 0.00 0.91 -0.43 2.35 -1.56 -2.19 115.58 114.66 3h2m h ASN 207 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3h2m h ASN 207 Cb 1.11 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.48 3h2m h ASN 207 CO 0.06 0.00 -0.05 -0.37 -1.65 0.00 0.00 177.43 175.42 3h2m h VAL 208 N 0.00 0.13 0.00 2.81 -1.51 -1.69 -2.38 116.25 113.61 3h2m h VAL 208 Ca 0.06 -0.59 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 3h2m h VAL 208 Cb 0.56 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 3h2m h VAL 208 CO -0.00 0.05 0.00 0.18 -1.23 0.00 0.00 177.57 176.56 3h2m n LEU 209 N -3.17 0.34 0.00 4.19 4.77 -0.82 -4.90 117.00 117.40 3h2m n LEU 209 Ca 0.00 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 3h2m n LEU 209 Cb 0.31 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3h2m n LEU 209 CO 0.28 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 3h2m n GLY 210 N 0.88 0.68 3.72 -0.72 0.00 -0.89 -5.07 105.19 103.79 3h2m n GLY 210 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 3h2m n GLY 210 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h2m s TYR 211 N -2.46 2.96 0.61 1.61 1.51 -1.26 -5.10 117.35 115.22 3h2m s TYR 211 Ca 0.00 -0.10 -0.18 0.00 -1.01 0.00 0.00 57.07 55.78 3h2m s TYR 211 Cb 0.00 -1.42 -0.03 0.00 -0.11 0.00 0.00 41.96 40.40 3h2m s TYR 211 CO 0.00 0.52 1.22 -2.14 -1.11 0.00 0.00 175.55 174.04 3h2m s PRO 212 N -3.05 2.84 -0.13 -1.71 0.02 -1.26 -4.76 135.00 126.95 3h2m s PRO 212 Ca 0.29 1.84 0.01 0.00 0.02 0.00 0.00 61.00 63.16 3h2m s PRO 212 Cb -0.09 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.51 3h2m s PRO 212 CO 0.21 -1.31 -0.16 0.08 -0.33 0.00 0.00 177.00 175.49 3h2m s VAL 213 N -1.62 2.77 -0.17 3.83 1.01 -1.26 -0.42 120.40 124.55 3h2m s VAL 213 Ca 0.78 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 3h2m s VAL 213 Cb -0.31 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 3h2m s VAL 213 CO 0.35 0.53 0.19 -0.22 0.00 0.00 0.00 175.10 175.95 3h2m s LEU 214 N 0.47 4.26 -0.10 3.92 0.20 0.50 -1.09 118.68 126.84 3h2m s LEU 214 Ca -0.11 0.38 0.00 0.00 0.69 0.00 0.00 54.13 55.09 3h2m s LEU 214 Cb -0.16 -2.18 -0.02 0.00 -0.43 0.00 0.00 46.19 43.39 3h2m s LEU 214 CO 0.05 0.21 -0.09 -0.22 -0.29 0.00 0.00 176.35 176.00 3h2m s LEU 215 N 0.08 2.99 -0.33 -0.68 2.96 -0.64 -4.07 118.68 118.99 3h2m s LEU 215 Ca 0.12 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 3h2m s LEU 215 Cb -0.12 -1.67 0.10 0.00 0.50 0.00 0.00 46.19 45.01 3h2m s LEU 215 CO 0.01 0.27 0.08 -0.83 -1.32 0.00 0.00 176.35 174.55 3h2m s GLY 216 N -0.24 1.50 0.00 7.98 0.00 -1.26 -1.10 107.32 114.19 3h2m s GLY 216 Ca 0.03 -2.10 0.00 0.00 0.00 0.00 0.00 44.72 42.64 3h2m s GLY 216 CO 0.03 1.28 0.01 -1.30 0.00 0.00 0.00 173.10 173.12 3h2m n THR 217 N 4.55 0.00 -1.61 0.90 -2.24 -1.26 -4.54 114.28 110.09 3h2m n THR 217 Ca 0.01 -0.49 -0.53 0.00 -2.27 0.00 0.00 64.05 60.77 3h2m n THR 217 Cb 0.42 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.59 3h2m n THR 217 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3h2m n SER 218 N -0.96 2.58 -0.01 3.42 2.88 -1.26 -1.57 113.62 118.71 3h2m n SER 218 Ca 0.00 0.81 -0.00 0.00 -1.33 0.00 0.00 58.87 58.35 3h2m n SER 218 Cb 0.00 -1.24 -0.00 0.00 -0.75 0.00 0.00 64.21 62.22 3h2m n SER 218 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3h2m n ARG 219 N 6.74 -1.33 -1.53 -1.46 1.74 -1.26 -4.90 116.66 114.67 3h2m n ARG 219 Ca 0.31 0.34 -0.31 0.00 -0.77 0.00 0.00 57.85 57.42 3h2m n ARG 219 Cb 0.21 -4.35 0.06 0.00 -1.02 0.00 0.00 32.46 27.36 3h2m n ARG 219 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3h2m s LYS 220 N -1.36 2.68 0.40 5.56 1.02 -0.61 -4.84 119.74 122.60 3h2m s LYS 220 Ca 0.00 1.14 0.28 0.00 0.02 0.00 0.00 55.97 57.41 3h2m s LYS 220 Cb 0.00 -1.95 1.25 0.00 -0.52 0.00 0.00 37.83 36.61 3h2m s LYS 220 CO 0.00 -1.31 1.85 0.66 -0.92 0.00 0.00 175.35 175.63 3h2m h SER 221 N -0.64 0.00 0.28 2.83 4.64 -1.92 -2.41 113.55 116.32 3h2m h SER 221 Ca -0.44 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.84 3h2m h SER 221 Cb 1.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 3h2m h SER 221 CO 0.54 0.00 -0.19 2.19 -0.87 0.00 0.00 176.83 178.50 3h2m h PHE 222 N 0.00 0.00 -0.56 4.77 -5.15 -1.93 0.42 116.94 114.50 3h2m h PHE 222 Ca 0.00 0.00 -0.11 0.00 -0.20 0.00 0.00 57.97 57.66 3h2m h PHE 222 Cb 0.35 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.50 3h2m h PHE 222 CO 0.00 0.19 -0.08 0.82 -2.00 0.00 0.00 178.31 177.24 3h2m h ILE 223 N 0.00 1.27 -0.33 0.88 2.04 -1.79 -2.16 117.51 117.41 3h2m h ILE 223 Ca -0.00 -1.23 -0.11 0.00 1.00 0.00 0.00 64.86 64.51 3h2m h ILE 223 Cb 0.38 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 3h2m h ILE 223 CO 0.02 0.44 -0.25 1.23 0.00 0.00 0.00 178.15 179.59 3h2m h GLY 224 N 0.95 0.72 1.15 5.37 0.00 -1.31 -0.61 103.07 109.34 3h2m h GLY 224 Ca 0.15 -0.62 -0.12 0.00 0.00 0.00 0.00 47.33 46.74 3h2m h GLY 224 CO 0.04 0.57 -0.15 0.84 0.00 0.00 0.00 176.54 177.85 3h2m h HIS 225 N 0.58 1.11 -0.01 5.60 -0.00 -0.82 0.95 115.15 122.57 3h2m h HIS 225 Ca 0.08 -0.24 -0.01 0.00 -0.00 0.00 0.00 60.37 60.20 3h2m h HIS 225 Cb 0.74 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.88 3h2m h HIS 225 CO 0.03 1.05 -0.02 0.28 -0.00 0.00 0.00 177.93 179.28 3h2m h VAL 226 N 0.87 1.46 0.00 5.26 2.07 -1.25 -3.35 116.25 121.31 3h2m h VAL 226 Ca 0.13 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.26 3h2m h VAL 226 Cb 0.71 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 3h2m h VAL 226 CO 0.05 0.36 -0.60 -0.07 0.02 0.00 0.00 177.57 177.33 3h2m h LEU 227 N -0.55 0.00 -2.54 2.57 3.38 -1.10 -3.48 115.31 113.59 3h2m h LEU 227 Ca 0.00 -0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.58 3h2m h LEU 227 Cb 0.61 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.46 3h2m h LEU 227 CO 0.00 0.00 -0.88 -0.67 0.09 0.00 0.00 178.44 176.98 3h2m n ASP 228 N -2.83 -4.20 -3.93 -0.43 2.03 0.33 -5.02 116.55 102.50 3h2m n ASP 228 Ca 0.02 -0.88 -0.15 0.00 0.52 0.00 0.00 54.79 54.29 3h2m n ASP 228 Cb 0.54 -4.04 -0.15 0.00 -0.72 0.00 0.00 41.12 36.75 3h2m n ASP 228 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3h2m s LEU 229 N -6.28 1.91 0.78 -2.67 1.43 -1.18 -5.06 118.68 107.60 3h2m s LEU 229 Ca 0.31 -0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 53.22 3h2m s LEU 229 Cb -0.09 -0.23 0.06 0.00 0.03 0.00 0.00 46.19 45.97 3h2m s LEU 229 CO 0.82 0.03 1.13 -2.16 0.23 0.00 0.00 176.35 176.40 3h2m s PRO 230 N 0.04 2.23 0.52 1.29 0.04 -1.26 -4.43 135.00 133.43 3h2m s PRO 230 Ca 0.00 0.33 0.37 0.00 0.04 0.00 0.00 61.00 61.74 3h2m s PRO 230 Cb -0.03 -1.96 1.53 0.00 0.04 0.00 0.00 34.50 34.07 3h2m s PRO 230 CO -0.00 -1.45 1.72 -0.24 0.04 0.00 0.00 177.00 177.07 3h2m h VAL 231 N -0.95 0.29 -0.00 -0.36 3.04 -1.98 0.36 116.25 116.64 3h2m h VAL 231 Ca -0.46 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 3h2m h VAL 231 Cb 1.29 0.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.80 3h2m h VAL 231 CO 0.64 0.01 -0.16 -1.84 -1.01 0.00 0.00 177.57 175.21 3h2m n GLU 232 N -4.24 0.24 -0.60 4.17 0.00 -1.26 -3.49 120.64 115.46 3h2m n GLU 232 Ca 0.32 -0.07 0.04 0.00 0.00 0.00 0.00 57.16 57.44 3h2m n GLU 232 Cb 1.41 -1.50 0.25 0.00 0.00 0.00 0.00 31.44 31.60 3h2m n GLU 232 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3h2m n GLU 233 N -1.32 2.74 -0.72 3.44 -0.58 0.13 -4.74 120.64 119.59 3h2m n GLU 233 Ca 0.09 -2.95 0.08 0.00 -0.42 0.00 0.00 57.16 53.96 3h2m n GLU 233 Cb 0.31 -1.88 0.35 0.00 -0.57 0.00 0.00 31.44 29.65 3h2m n GLU 233 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3h2m n ARG 234 N -0.63 4.15 -0.05 3.49 1.74 -1.23 -4.69 116.66 119.44 3h2m n ARG 234 Ca 0.27 -3.02 -0.13 0.00 -0.77 0.00 0.00 57.85 54.19 3h2m n ARG 234 Cb 0.99 -2.08 -0.08 0.00 -1.02 0.00 0.00 32.46 30.27 3h2m n ARG 234 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3h2m h LEU 235 N 3.32 0.34 -0.21 0.55 5.85 -1.87 0.22 115.31 123.50 3h2m h LEU 235 Ca 0.00 -0.51 -0.04 0.00 0.84 0.00 0.00 57.88 58.17 3h2m h LEU 235 Cb 1.74 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.66 3h2m h LEU 235 CO 0.37 0.78 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.91 3h2m h GLU 236 N -0.10 0.37 -0.55 1.25 3.07 -1.99 -0.42 114.58 116.22 3h2m h GLU 236 Ca 0.01 -0.13 0.10 0.00 -0.50 0.00 0.00 59.36 58.84 3h2m h GLU 236 Cb 0.70 -0.03 -0.08 0.00 -0.84 0.00 0.00 28.75 28.51 3h2m h GLU 236 CO 0.04 0.59 0.12 0.78 -1.40 0.00 0.00 179.01 179.13 3h2m h GLY 237 N 0.12 0.69 0.91 -3.84 0.00 -1.85 -1.52 103.07 97.58 3h2m h GLY 237 Ca 0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 3h2m h GLY 237 CO 0.01 -0.09 0.03 -0.84 0.00 0.00 0.00 176.54 175.66 3h2m h THR 238 N 0.25 1.10 -0.85 4.70 2.02 -0.87 -2.25 112.91 117.01 3h2m h THR 238 Ca 0.28 -0.28 0.21 0.00 0.77 0.00 0.00 66.41 67.40 3h2m h THR 238 Cb 0.40 1.16 -0.13 0.00 -1.74 0.00 0.00 68.15 67.83 3h2m h THR 238 CO -0.36 0.08 0.21 1.23 0.37 0.00 0.00 175.52 177.05 3h2m h GLY 239 N -0.00 1.27 0.91 2.16 0.00 -0.81 0.09 103.07 106.68 3h2m h GLY 239 Ca 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 3h2m h GLY 239 CO -0.00 -0.32 0.10 0.00 0.00 0.00 0.00 176.54 176.31 3h2m h ALA 240 N 1.74 0.40 -0.49 3.60 0.00 -0.69 -0.62 119.26 123.20 3h2m h ALA 240 Ca 0.52 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 55.19 3h2m h ALA 240 Cb 1.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3h2m h ALA 240 CO -0.62 0.03 -0.04 1.79 0.00 0.00 0.00 179.25 180.41 3h2m h THR 241 N 0.34 1.25 -0.71 0.00 1.35 -1.04 -0.53 112.91 113.57 3h2m h THR 241 Ca 0.10 -1.10 -0.01 0.00 -0.55 0.00 0.00 66.41 64.86 3h2m h THR 241 Cb 0.23 0.92 -0.03 0.00 -1.73 0.00 0.00 68.15 67.54 3h2m h THR 241 CO -0.00 0.39 0.41 0.58 -0.25 0.00 0.00 175.52 176.64 3h2m h VAL 242 N 0.78 1.21 -0.28 6.82 2.07 -0.74 -0.30 116.25 125.81 3h2m h VAL 242 Ca 0.14 -0.49 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 3h2m h VAL 242 Cb 0.52 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3h2m h VAL 242 CO 0.03 0.22 -0.10 0.00 0.02 0.00 0.00 177.57 177.75 3h2m h LEU 244 N 0.30 1.07 -0.53 0.00 5.85 -1.04 -1.70 115.31 119.26 3h2m h LEU 244 Ca 0.07 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.55 3h2m h LEU 244 Cb 0.59 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3h2m h LEU 244 CO 0.03 0.94 0.02 1.23 -0.34 0.00 0.00 178.44 180.33 3h2m h GLY 245 N 1.16 1.00 1.22 3.75 0.00 -0.68 -0.99 103.07 108.52 3h2m h GLY 245 Ca 0.26 -0.72 -0.10 0.00 0.00 0.00 0.00 47.33 46.77 3h2m h GLY 245 CO -0.02 0.67 -0.10 -2.22 0.00 0.00 0.00 176.54 174.86 3h2m h ILE 246 N 0.81 1.26 0.00 2.60 2.04 -1.02 -1.94 117.51 121.26 3h2m h ILE 246 Ca 0.15 -1.22 -0.04 0.00 1.00 0.00 0.00 64.86 64.75 3h2m h ILE 246 Cb 0.50 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 3h2m h ILE 246 CO 0.02 0.43 -0.18 -0.08 0.00 0.00 0.00 178.15 178.34 3h2m h GLU 247 N 0.83 0.00 -0.50 2.37 4.22 -1.16 -1.28 114.58 119.05 3h2m h GLU 247 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.57 3h2m h GLU 247 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3h2m h GLU 247 CO 0.04 0.18 0.00 1.63 -2.18 0.00 0.00 179.01 178.69 3h2m n LYS 248 N -3.59 2.23 -0.18 1.92 5.02 -0.39 -4.93 118.16 118.23 3h2m n LYS 248 Ca -0.01 -1.77 0.00 0.00 -2.02 0.00 0.00 58.31 54.51 3h2m n LYS 248 Cb 0.32 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 3h2m n LYS 248 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h2m n GLY 249 N 1.21 0.90 3.78 0.72 0.00 -0.48 -4.17 105.19 107.14 3h2m n GLY 249 Ca 0.16 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3h2m n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2m n GLU 251 N -0.13 0.64 -4.23 0.00 4.71 -0.25 -4.71 120.64 116.66 3h2m n GLU 251 Ca 0.05 0.24 -0.18 0.00 -0.01 0.00 0.00 57.16 57.26 3h2m n GLU 251 Cb 0.49 -1.75 -0.13 0.00 -1.01 0.00 0.00 31.44 29.04 3h2m n GLU 251 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3h2m s PHE 252 N -2.62 1.12 0.01 -0.32 0.40 -0.97 -1.25 117.98 114.35 3h2m s PHE 252 Ca -0.05 -0.41 0.07 0.00 -0.60 0.00 0.00 56.93 55.94 3h2m s PHE 252 Cb 0.08 -0.65 -0.02 0.00 0.51 0.00 0.00 43.02 42.94 3h2m s PHE 252 CO 0.83 0.03 -0.21 0.14 0.70 0.00 0.00 175.22 176.70 3h2m s VAL 253 N -1.07 1.69 -0.33 -0.44 -7.23 -0.77 -1.63 120.40 110.62 3h2m s VAL 253 Ca -0.01 -1.02 -0.06 0.00 -1.81 0.00 0.00 61.98 59.08 3h2m s VAL 253 Cb -0.09 -1.42 0.04 0.00 0.56 0.00 0.00 36.38 35.47 3h2m s VAL 253 CO 0.02 0.38 0.09 -0.60 -0.31 0.00 0.00 175.10 174.68 3h2m s ARG 254 N -0.75 2.59 0.07 4.82 3.52 -0.26 -0.06 118.95 128.89 3h2m s ARG 254 Ca 0.08 -1.19 0.02 0.00 -0.13 0.00 0.00 55.73 54.51 3h2m s ARG 254 Cb -0.08 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 3h2m s ARG 254 CO 0.00 -0.66 -0.07 0.14 -0.81 0.00 0.00 175.30 173.90 3h2m s VAL 255 N 1.38 0.62 -0.13 7.11 -7.23 -0.32 -4.07 120.40 117.77 3h2m s VAL 255 Ca -0.02 -1.51 -0.07 0.00 -1.81 0.00 0.00 61.98 58.56 3h2m s VAL 255 Cb -0.20 -1.15 -0.26 0.00 0.56 0.00 0.00 36.38 35.33 3h2m s VAL 255 CO 0.02 -0.63 0.35 1.41 -0.31 0.00 0.00 175.10 175.95 3h2m n HIS 256 N 0.70 1.24 -2.17 2.82 8.25 -1.26 -1.86 115.22 122.94 3h2m n HIS 256 Ca -0.17 0.27 -0.42 0.00 -0.26 0.00 0.00 57.72 57.13 3h2m n HIS 256 Cb 0.58 -1.16 0.00 0.00 1.12 0.00 0.00 29.99 30.53 3h2m n HIS 256 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3h2m n ASP 257 N -3.53 4.69 -0.28 0.41 9.92 -1.26 -4.78 116.55 121.72 3h2m n ASP 257 Ca -0.32 -3.01 -0.05 0.00 -0.53 0.00 0.00 54.79 50.88 3h2m n ASP 257 Cb 1.03 -1.55 0.06 0.00 -0.64 0.00 0.00 41.12 40.02 3h2m n ASP 257 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3h2m h VAL 258 N 3.92 1.22 -0.11 2.53 2.07 -1.93 -1.28 116.25 122.67 3h2m h VAL 258 Ca 0.45 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.52 3h2m h VAL 258 Cb 0.65 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3h2m h VAL 258 CO 1.69 0.23 -0.07 0.50 0.02 0.00 0.00 177.57 179.93 3h2m h LYS 259 N 1.04 -0.07 0.11 1.57 3.64 -1.88 -1.31 116.57 119.67 3h2m h LYS 259 Ca 0.27 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 3h2m h LYS 259 Cb -0.03 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3h2m h LYS 259 CO -0.05 -0.05 -0.05 0.93 -2.27 0.00 0.00 179.45 177.96 3h2m h GLU 260 N -0.08 -0.15 -0.02 1.90 3.07 -1.84 -2.94 114.58 114.53 3h2m h GLU 260 Ca 0.07 0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.86 3h2m h GLU 260 Cb 0.17 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 3h2m h GLU 260 CO -0.15 0.18 -0.34 0.52 -1.40 0.00 0.00 179.01 177.82 3h2m h MET 261 N -0.49 0.03 -0.42 2.33 2.86 -1.18 -1.80 114.93 116.27 3h2m h MET 261 Ca -0.02 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3h2m h MET 261 Cb 0.40 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 3h2m h MET 261 CO 0.03 0.37 0.27 0.77 1.06 0.00 0.00 176.91 179.40 3h2m h SER 262 N 0.03 0.45 -0.26 1.22 0.02 -1.24 0.14 113.55 113.91 3h2m h SER 262 Ca 0.00 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.96 3h2m h SER 262 Cb 0.61 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 3h2m h SER 262 CO 0.04 0.32 0.13 0.03 -1.14 0.00 0.00 176.83 176.22 3h2m h ARG 263 N 0.54 0.26 -0.57 3.45 3.08 -1.29 0.41 114.38 120.26 3h2m h ARG 263 Ca 0.16 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.10 3h2m h ARG 263 Cb -0.04 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3h2m h ARG 263 CO -0.05 0.17 -0.01 0.52 -1.07 0.00 0.00 179.97 179.54 3h2m h MET 264 N 0.27 1.02 -0.45 0.04 2.86 -1.14 -2.10 114.93 115.42 3h2m h MET 264 Ca 0.10 -0.33 -0.04 0.00 -2.06 0.00 0.00 59.70 57.38 3h2m h MET 264 Cb 0.03 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 3h2m h MET 264 CO -0.07 1.01 0.14 0.00 1.06 0.00 0.00 176.91 179.05 3h2m h ALA 265 N 0.97 0.59 -0.68 6.32 0.00 -0.65 0.21 119.26 126.01 3h2m h ALA 265 Ca 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3h2m h ALA 265 Cb 0.56 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3h2m h ALA 265 CO 0.03 0.24 0.38 -0.22 0.00 0.00 0.00 179.25 179.68 3h2m h LYS 266 N 0.59 0.94 -0.17 0.00 3.64 -0.86 0.11 116.57 120.82 3h2m h LYS 266 Ca 0.14 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 3h2m h LYS 266 Cb 0.27 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3h2m h LYS 266 CO -0.00 0.70 0.01 1.98 -2.27 0.00 0.00 179.45 179.87 3h2m h MET 267 N 0.93 0.28 -0.22 1.90 4.05 -1.10 -2.07 114.93 118.70 3h2m h MET 267 Ca 0.24 -0.08 0.06 0.00 -0.28 0.00 0.00 59.70 59.64 3h2m h MET 267 Cb 0.02 -0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 30.72 3h2m h MET 267 CO -0.04 0.48 -0.27 0.52 0.23 0.00 0.00 176.91 177.83 3h2m h MET 268 N 0.05 -0.29 -0.42 0.39 2.86 -0.70 -1.46 114.93 115.36 3h2m h MET 268 Ca 0.05 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.79 3h2m h MET 268 Cb 0.34 0.07 -0.09 0.00 0.06 0.00 0.00 31.60 31.98 3h2m h MET 268 CO 0.01 -0.19 -0.27 -0.44 1.06 0.00 0.00 176.91 177.07 3h2m h ASP 269 N -0.30 -0.92 -0.74 1.22 3.45 -0.77 -0.36 116.42 118.00 3h2m h ASP 269 Ca 0.13 0.18 0.12 0.00 0.43 0.00 0.00 57.03 57.89 3h2m h ASP 269 Cb 0.50 0.45 -0.08 0.00 -0.56 0.00 0.00 39.33 39.64 3h2m h ASP 269 CO -0.39 -0.29 0.34 0.00 -1.57 0.00 0.00 179.24 177.33 3h2m h ALA 270 N 0.95 1.05 -0.16 3.45 0.00 -1.04 -1.56 119.26 121.94 3h2m h ALA 270 Ca 0.19 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 3h2m h ALA 270 Cb 0.50 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3h2m h ALA 270 CO -0.53 -0.13 -0.42 0.52 0.00 0.00 0.00 179.25 178.70 3h2m h MET 271 N 0.53 0.56 0.00 0.00 2.86 -0.17 -3.20 114.93 115.51 3h2m h MET 271 Ca 0.39 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3h2m h MET 271 Cb 0.52 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.24 3h2m h MET 271 CO -0.34 1.01 0.00 0.44 1.06 0.00 0.00 176.91 179.08 3h2m n ILE 272 N -4.26 0.46 -0.93 -1.22 -5.35 -0.26 -4.91 119.36 102.89 3h2m n ILE 272 Ca -0.07 -0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 3h2m n ILE 272 Cb 0.55 -0.70 0.00 0.00 -1.74 0.00 0.00 39.64 37.74 3h2m n ILE 272 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h2m n GLY 273 N 0.97 0.74 0.79 3.28 0.00 -0.66 -5.08 105.19 105.23 3h2m n GLY 273 Ca 0.05 -0.66 0.13 0.00 0.00 0.00 0.00 46.02 45.54 3h2m n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49