#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2f h LYS 2 N 0.00 0.87 -5.31 0.03 3.64 -1.97 -3.42 116.57 110.41 3h2f h LYS 2 Ca 0.00 -0.05 -0.64 0.00 -1.27 0.00 0.00 60.65 58.68 3h2f h LYS 2 Cb 0.00 -0.20 -0.24 0.00 -0.41 0.00 0.00 32.23 31.39 3h2f h LYS 2 CO 0.00 0.57 -0.71 -1.58 -2.27 0.00 0.00 179.45 175.47 3h2f s TRP 3 N -6.07 2.94 -0.55 1.91 0.52 -1.26 -5.00 118.94 111.43 3h2f s TRP 3 Ca -0.13 -0.43 0.15 0.00 0.02 0.00 0.00 56.10 55.71 3h2f s TRP 3 Cb 0.18 -1.91 0.77 0.00 -1.15 0.00 0.00 33.47 31.36 3h2f s TRP 3 CO 0.78 -0.10 1.68 -0.40 0.02 0.00 0.00 176.95 178.93 3h2f n ASP 4 N 3.51 5.30 -3.91 2.95 3.85 -1.26 -4.90 116.55 122.09 3h2f n ASP 4 Ca -0.18 -2.75 -0.09 0.00 -0.71 0.00 0.00 54.79 51.06 3h2f n ASP 4 Cb 0.53 -0.65 -0.08 0.00 -1.35 0.00 0.00 41.12 39.56 3h2f n ASP 4 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 3h2f s TYR 5 N -2.44 0.22 0.20 2.11 -0.85 -1.26 -5.12 117.35 110.21 3h2f s TYR 5 Ca 0.52 -0.61 -0.02 0.00 -0.52 0.00 0.00 57.07 56.43 3h2f s TYR 5 Cb 0.38 -0.13 -0.05 0.00 0.38 0.00 0.00 41.96 42.54 3h2f s TYR 5 CO 0.18 -0.46 0.41 -0.51 -1.52 0.00 0.00 175.55 173.65 3h2f s ASP 6 N -2.62 6.42 -0.24 -0.18 1.01 -1.26 -4.61 116.67 115.18 3h2f s ASP 6 Ca 0.02 0.49 -0.29 0.00 0.71 0.00 0.00 52.55 53.48 3h2f s ASP 6 Cb 0.03 -2.05 -0.00 0.00 1.01 0.00 0.00 42.92 41.92 3h2f s ASP 6 CO -0.09 -0.04 1.20 -0.22 0.21 0.00 0.00 175.17 176.23 3h2f s LEU 7 N -3.20 4.05 -0.34 1.23 0.20 -0.16 -4.91 118.68 115.54 3h2f s LEU 7 Ca 0.40 1.40 -0.17 0.00 0.69 0.00 0.00 54.13 56.45 3h2f s LEU 7 Cb -0.11 -3.54 -0.01 0.00 -0.43 0.00 0.00 46.19 42.10 3h2f s LEU 7 CO 0.28 -0.84 0.45 -0.13 -0.29 0.00 0.00 176.35 175.82 3h2f s ARG 8 N 3.63 3.61 -0.48 1.98 1.81 -1.26 -1.00 118.95 127.25 3h2f s ARG 8 Ca 0.51 -0.25 0.06 0.00 -1.72 0.00 0.00 55.73 54.33 3h2f s ARG 8 Cb -0.17 -3.80 0.40 0.00 -0.45 0.00 0.00 34.95 30.92 3h2f s ARG 8 CO 0.15 -0.59 1.05 0.00 -0.68 0.00 0.00 175.30 175.23 3h2f n GLY 10 N -0.37 1.59 0.25 0.00 0.00 -1.26 -2.21 105.19 103.18 3h2f n GLY 10 Ca 0.35 0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.61 3h2f n GLY 10 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3h2f h GLU 11 N 0.00 0.00 -6.38 1.61 4.11 -2.02 -3.44 114.58 108.46 3h2f h GLU 11 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.36 58.82 3h2f h GLU 11 Cb 0.00 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.13 3h2f h GLU 11 CO 0.00 0.11 -0.68 0.71 0.07 0.00 0.00 179.01 179.22 3h2f s TYR 12 N -3.69 2.76 -0.03 2.06 1.51 -0.94 -5.12 117.35 113.90 3h2f s TYR 12 Ca 0.01 -0.17 0.02 0.00 -1.01 0.00 0.00 57.07 55.92 3h2f s TYR 12 Cb 0.10 -1.34 0.01 0.00 -0.11 0.00 0.00 41.96 40.61 3h2f s TYR 12 CO 0.59 0.52 -0.06 0.99 -1.11 0.00 0.00 175.55 176.47 3h2f s THR 13 N -1.72 0.59 -0.25 -0.71 2.01 -1.26 -1.00 115.64 113.30 3h2f s THR 13 Ca 0.26 -0.22 -0.03 0.00 0.31 0.00 0.00 61.69 62.00 3h2f s THR 13 Cb -0.09 -0.56 0.01 0.00 0.01 0.00 0.00 72.50 71.87 3h2f s THR 13 CO 0.17 0.21 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.53 3h2f s LEU 14 N 0.45 3.23 -0.06 4.42 1.43 -0.17 -4.98 118.68 122.99 3h2f s LEU 14 Ca -0.06 -0.67 -0.30 0.00 -1.03 0.00 0.00 54.13 52.07 3h2f s LEU 14 Cb -0.10 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 3h2f s LEU 14 CO 0.00 -0.11 1.10 0.21 0.23 0.00 0.00 176.35 177.79 3h2f s ASN 15 N 1.42 7.16 0.00 2.29 3.84 -1.26 -0.99 114.94 127.39 3h2f s ASN 15 Ca 0.03 1.71 0.26 0.00 0.21 0.00 0.00 52.86 55.06 3h2f s ASN 15 Cb -0.16 -2.56 0.60 0.00 -0.55 0.00 0.00 41.25 38.58 3h2f s ASN 15 CO -0.03 -0.49 1.47 0.18 -2.79 0.00 0.00 177.10 175.44 3h2f n LEU 16 N 4.90 1.08 -0.06 3.21 4.77 -1.26 -4.14 117.00 125.50 3h2f n LEU 16 Ca 0.09 -0.30 -0.05 0.00 -0.03 0.00 0.00 56.01 55.73 3h2f n LEU 16 Cb 0.48 -0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.35 3h2f n LEU 16 CO 0.54 0.21 -0.88 0.59 -1.33 0.00 0.00 177.39 176.51 3h2f n ASN 17 N -0.71 1.90 -0.20 -1.43 3.02 -1.26 -4.68 115.26 111.89 3h2f n ASN 17 Ca 0.11 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.57 3h2f n ASN 17 Cb 0.36 0.90 0.03 0.00 -0.61 0.00 0.00 39.78 40.46 3h2f n ASN 17 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 3h2f h GLU 18 N 0.00 1.06 -2.39 3.52 4.11 -1.91 -3.46 114.58 115.51 3h2f h GLU 18 Ca -0.31 -0.34 0.09 0.00 0.07 0.00 0.00 59.36 58.88 3h2f h GLU 18 Cb 1.65 -0.09 -0.14 0.00 0.50 0.00 0.00 28.75 30.67 3h2f h GLU 18 CO 0.02 1.04 0.45 -1.59 0.07 0.00 0.00 179.01 179.00 3h2f s LYS 19 N -5.00 0.90 0.14 1.06 -2.85 -1.26 -4.89 119.74 107.84 3h2f s LYS 19 Ca -0.12 -0.34 -0.31 0.00 -1.00 0.00 0.00 55.97 54.20 3h2f s LYS 19 Cb 0.14 0.41 -0.08 0.00 -2.06 0.00 0.00 37.83 36.23 3h2f s LYS 19 CO 0.86 -0.40 1.39 0.99 0.10 0.00 0.00 175.35 178.29 3h2f s THR 20 N -3.22 3.23 -0.06 3.79 2.01 -1.26 -4.85 115.64 115.29 3h2f s THR 20 Ca 0.05 0.91 -0.21 0.00 0.31 0.00 0.00 61.69 62.75 3h2f s THR 20 Cb -0.01 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 3h2f s THR 20 CO -0.09 0.08 0.59 -0.76 -0.69 0.00 0.00 174.62 173.75 3h2f s LEU 21 N 0.86 4.34 -0.31 4.42 1.43 -0.41 -4.96 118.68 124.05 3h2f s LEU 21 Ca 0.63 1.06 -0.12 0.00 -1.03 0.00 0.00 54.13 54.68 3h2f s LEU 21 Cb -0.37 -2.90 -0.03 0.00 0.03 0.00 0.00 46.19 42.92 3h2f s LEU 21 CO 0.32 0.01 0.21 -0.63 0.23 0.00 0.00 176.35 176.48 3h2f s ILE 22 N 0.35 5.21 -0.37 -0.59 -1.09 -1.26 -1.41 121.20 122.03 3h2f s ILE 22 Ca 0.31 -0.08 -0.16 0.00 -2.23 0.00 0.00 60.65 58.50 3h2f s ILE 22 Cb -0.17 -3.59 -0.00 0.00 -1.58 0.00 0.00 42.46 37.12 3h2f s ILE 22 CO 0.15 0.11 0.41 -0.32 -1.23 0.00 0.00 174.94 174.06 3h2f s MET 23 N 1.73 3.42 0.10 2.79 -2.45 0.56 0.04 119.30 125.49 3h2f s MET 23 Ca 0.06 -0.49 -0.23 0.00 -1.25 0.00 0.00 55.69 53.79 3h2f s MET 23 Cb -0.17 -3.86 -0.07 0.00 1.25 0.00 0.00 34.83 31.99 3h2f s MET 23 CO 0.10 -0.65 0.69 0.20 1.05 0.00 0.00 175.02 176.41 3h2f s GLY 24 N 1.76 2.79 -0.36 2.11 0.00 -0.08 -0.97 107.32 112.57 3h2f s GLY 24 Ca 0.13 0.21 -0.20 0.00 0.00 0.00 0.00 44.72 44.86 3h2f s GLY 24 CO 0.13 0.77 0.61 -0.42 0.00 0.00 0.00 173.10 174.18 3h2f s ILE 25 N -0.84 4.91 0.00 0.90 1.01 -0.86 -1.19 121.20 125.15 3h2f s ILE 25 Ca 0.34 0.49 -0.30 0.00 0.00 0.00 0.00 60.65 61.18 3h2f s ILE 25 Cb -0.21 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 3h2f s ILE 25 CO 0.22 -0.31 1.18 -0.22 0.00 0.00 0.00 174.94 175.82 3h2f s LEU 26 N 2.64 4.33 -0.03 2.97 2.96 -0.40 -4.88 118.68 126.26 3h2f s LEU 26 Ca 0.23 1.90 -0.22 0.00 -0.22 0.00 0.00 54.13 55.82 3h2f s LEU 26 Cb -0.15 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.93 3h2f s LEU 26 CO 0.15 -0.50 0.63 0.54 -1.32 0.00 0.00 176.35 175.84 3h2f s ASN 27 N 1.25 6.96 -0.07 3.68 2.20 -1.26 -4.83 114.94 122.87 3h2f s ASN 27 Ca 0.57 1.15 0.10 0.00 -0.94 0.00 0.00 52.86 53.74 3h2f s ASN 27 Cb -0.27 -2.38 0.15 0.00 -2.00 0.00 0.00 41.25 36.76 3h2f s ASN 27 CO 0.26 0.01 1.06 0.52 -2.94 0.00 0.00 177.10 176.01 3h2f n VAL 28 N 3.18 1.38 -0.97 3.54 0.31 -1.26 -4.53 118.33 119.98 3h2f n VAL 28 Ca -0.05 -1.58 -0.46 0.00 -0.01 0.00 0.00 64.34 62.25 3h2f n VAL 28 Cb 0.51 0.13 -0.09 0.00 -0.91 0.00 0.00 33.84 33.48 3h2f n VAL 28 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3h2f n THR 29 N -0.95 0.00 -2.37 2.52 -1.04 -1.26 -4.90 114.28 106.28 3h2f n THR 29 Ca 0.08 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.71 3h2f n THR 29 Cb 0.49 -0.38 -0.03 0.00 -1.82 0.00 0.00 70.33 68.59 3h2f n THR 29 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3h2f s PRO 30 N 4.33 4.15 0.14 -2.82 0.02 -1.26 -4.80 135.00 134.76 3h2f s PRO 30 Ca 0.89 1.77 -0.31 0.00 0.02 0.00 0.00 61.00 63.37 3h2f s PRO 30 Cb -1.13 -2.72 -0.08 0.00 0.02 0.00 0.00 34.50 30.59 3h2f s PRO 30 CO 0.51 -0.21 1.42 -0.51 -0.33 0.00 0.00 177.00 177.87 3h2f s ASP 31 N -1.18 6.78 0.45 2.53 1.11 -1.26 -4.95 116.67 120.14 3h2f s ASP 31 Ca 0.56 2.40 0.23 0.00 0.18 0.00 0.00 52.55 55.92 3h2f s ASP 31 Cb -0.29 -2.59 1.04 0.00 1.07 0.00 0.00 42.92 42.15 3h2f s ASP 31 CO 0.37 -0.68 1.89 0.28 1.18 0.00 0.00 175.17 178.21 3h2f h SER 32 N 6.64 0.00 -0.58 0.27 0.02 -2.05 -3.15 113.55 114.70 3h2f h SER 32 Ca -0.43 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.20 3h2f h SER 32 Cb 1.21 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.56 3h2f h SER 32 CO 0.86 0.23 0.08 0.49 -1.14 0.00 0.00 176.83 177.36 3h2f n PHE 33 N -3.56 1.83 -3.94 3.45 0.99 -1.26 -5.01 117.46 109.95 3h2f n PHE 33 Ca -0.01 -1.85 -0.09 0.00 -0.00 0.00 0.00 57.45 55.50 3h2f n PHE 33 Cb 0.38 -0.66 -0.10 0.00 -1.00 0.00 0.00 39.48 38.10 3h2f n PHE 33 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3h2f s SER 34 N -2.33 0.20 0.00 4.37 0.15 -1.19 -5.04 113.70 109.86 3h2f s SER 34 Ca 0.50 -0.54 0.20 0.00 0.70 0.00 0.00 55.95 56.80 3h2f s SER 34 Cb 0.43 0.20 -0.06 0.00 -1.71 0.00 0.00 66.02 64.89 3h2f s SER 34 CO 0.02 -0.47 0.95 -0.67 1.20 0.00 0.00 173.24 174.26 3h2f n ASP 35 N 0.89 1.64 0.00 5.45 -0.08 -1.26 -4.86 116.55 118.32 3h2f n ASP 35 Ca -0.20 -1.32 0.00 0.00 -1.51 0.00 0.00 54.79 51.77 3h2f n ASP 35 Cb 0.58 0.60 0.00 0.00 2.34 0.00 0.00 41.12 44.64 3h2f n ASP 35 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3h2f n GLY 36 N 1.35 3.56 2.61 0.27 0.00 -1.26 -4.28 105.19 107.44 3h2f n GLY 36 Ca 0.07 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.31 3h2f n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h2f n GLY 37 N -1.21 0.48 3.76 -0.02 0.00 -1.26 -4.93 105.19 102.02 3h2f n GLY 37 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3h2f n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h2f s SER 38 N -2.24 4.44 0.04 1.61 0.01 -1.26 -4.84 113.70 111.46 3h2f s SER 38 Ca 0.00 1.84 -0.24 0.00 1.31 0.00 0.00 55.95 58.86 3h2f s SER 38 Cb 0.00 -2.52 -0.17 0.00 0.21 0.00 0.00 66.02 63.54 3h2f s SER 38 CO 0.00 -2.08 1.53 0.22 0.41 0.00 0.00 173.24 173.31 3h2f h TYR 39 N -1.16 0.03 -0.74 2.43 3.20 -1.99 -2.22 116.97 116.53 3h2f h TYR 39 Ca -0.43 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.46 3h2f h TYR 39 Cb 1.23 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.45 3h2f h TYR 39 CO 0.58 0.24 0.47 -0.91 -1.64 0.00 0.00 178.16 176.89 3h2f h ASN 40 N -0.19 0.77 0.42 -2.11 2.35 -1.98 0.57 115.58 115.40 3h2f h ASN 40 Ca 0.01 -0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.50 3h2f h ASN 40 Cb 0.23 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.43 3h2f h ASN 40 CO 0.00 0.54 -1.08 1.05 -1.65 0.00 0.00 177.43 176.28 3h2f h GLU 41 N 0.91 0.39 -0.07 0.81 4.11 -1.86 -1.48 114.58 117.39 3h2f h GLU 41 Ca 0.29 -0.50 -0.24 0.00 0.07 0.00 0.00 59.36 58.99 3h2f h GLU 41 Cb 0.00 0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.43 3h2f h GLU 41 CO -0.11 1.18 -0.89 0.28 0.07 0.00 0.00 179.01 179.54 3h2f h VAL 42 N 0.18 1.30 -0.60 -1.06 2.07 -1.32 -2.83 116.25 113.99 3h2f h VAL 42 Ca -0.11 -2.14 -0.01 0.00 0.82 0.00 0.00 66.70 65.25 3h2f h VAL 42 Cb 1.75 2.19 -0.03 0.00 -1.52 0.00 0.00 31.29 33.69 3h2f h VAL 42 CO 0.19 0.67 0.33 -0.78 0.02 0.00 0.00 177.57 177.99 3h2f h ASP 43 N 0.43 0.75 -0.68 0.57 3.58 -0.92 -0.55 116.42 119.60 3h2f h ASP 43 Ca -0.08 -0.10 0.02 0.00 0.42 0.00 0.00 57.03 57.29 3h2f h ASP 43 Cb 1.53 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 42.35 3h2f h ASP 43 CO 0.17 0.63 0.43 0.00 -2.88 0.00 0.00 179.24 177.60 3h2f h ALA 44 N 1.15 0.88 -0.32 -0.78 0.00 -1.31 -0.96 119.26 117.91 3h2f h ALA 44 Ca 0.21 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3h2f h ALA 44 Cb 0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3h2f h ALA 44 CO -0.03 0.23 0.11 0.00 0.00 0.00 0.00 179.25 179.55 3h2f h ALA 45 N 1.28 0.42 -0.44 0.00 0.00 -1.23 -1.47 119.26 117.81 3h2f h ALA 45 Ca 0.26 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3h2f h ALA 45 Cb -0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3h2f h ALA 45 CO -0.09 0.05 0.24 0.28 0.00 0.00 0.00 179.25 179.73 3h2f h VAL 46 N 0.36 1.16 -0.99 0.00 2.07 -0.90 0.48 116.25 118.44 3h2f h VAL 46 Ca 0.10 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.22 3h2f h VAL 46 Cb 0.23 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 3h2f h VAL 46 CO -0.00 0.17 0.66 0.03 0.02 0.00 0.00 177.57 178.44 3h2f h ARG 47 N 0.57 1.30 -0.24 1.57 3.08 -1.15 -0.78 114.38 118.73 3h2f h ARG 47 Ca 0.15 -0.08 -0.15 0.00 0.07 0.00 0.00 59.98 59.98 3h2f h ARG 47 Cb 0.06 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 3h2f h ARG 47 CO -0.02 0.86 -0.46 1.25 -1.07 0.00 0.00 179.97 180.52 3h2f h HIS 48 N 1.34 0.75 -0.38 3.04 2.76 -1.02 -2.01 115.15 119.63 3h2f h HIS 48 Ca 0.36 -0.24 -0.10 0.00 -2.20 0.00 0.00 60.37 58.20 3h2f h HIS 48 Cb -0.15 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.64 3h2f h HIS 48 CO -0.00 0.96 -0.18 0.00 -1.30 0.00 0.00 177.93 177.41 3h2f h ALA 49 N 1.00 0.98 -0.21 5.26 0.00 -0.49 -1.48 119.26 124.31 3h2f h ALA 49 Ca 0.03 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 3h2f h ALA 49 Cb 0.99 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3h2f h ALA 49 CO 0.09 0.60 -0.05 0.87 0.00 0.00 0.00 179.25 180.76 3h2f h LYS 50 N 0.63 0.40 -0.64 0.00 1.57 -1.09 -1.11 116.57 116.33 3h2f h LYS 50 Ca 0.10 -0.15 0.10 0.00 -1.87 0.00 0.00 60.65 58.82 3h2f h LYS 50 Cb 0.66 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.87 3h2f h LYS 50 CO 0.05 0.65 0.26 1.49 -0.57 0.00 0.00 179.45 181.33 3h2f h GLU 51 N 0.13 0.44 -0.27 3.15 4.81 -1.30 -0.83 114.58 120.71 3h2f h GLU 51 Ca 0.05 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.09 3h2f h GLU 51 Cb 0.50 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 3h2f h GLU 51 CO 0.02 0.29 -0.49 0.52 -0.73 0.00 0.00 179.01 178.62 3h2f h MET 52 N 0.46 0.75 -0.44 1.92 2.86 -1.01 -1.28 114.93 118.18 3h2f h MET 52 Ca 0.32 -0.44 0.07 0.00 -2.06 0.00 0.00 59.70 57.59 3h2f h MET 52 Cb 0.39 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.03 3h2f h MET 52 CO -0.30 1.07 0.10 -0.09 1.06 0.00 0.00 176.91 178.75 3h2f h ARG 53 N 0.59 0.24 0.00 1.72 1.12 -1.02 -1.62 114.38 115.40 3h2f h ARG 53 Ca 0.03 -0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 58.86 3h2f h ARG 53 Cb 1.06 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.96 3h2f h ARG 53 CO 0.10 0.16 -0.12 -0.44 -3.11 0.00 0.00 179.97 176.56 3h2f h ASP 54 N 0.24 0.00 0.10 -3.80 3.32 -0.77 -2.94 116.42 112.57 3h2f h ASP 54 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3h2f h ASP 54 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3h2f h ASP 54 CO -0.27 0.12 -0.11 -0.62 -1.72 0.00 0.00 179.24 176.63 3h2f n GLU 55 N -3.73 1.30 0.00 3.56 1.02 -0.52 -4.94 120.64 117.33 3h2f n GLU 55 Ca -0.02 -0.76 0.00 0.00 -0.02 0.00 0.00 57.16 56.36 3h2f n GLU 55 Cb 0.22 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 3h2f n GLU 55 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h2f n GLY 56 N 1.25 1.45 3.77 0.62 0.00 -1.10 -4.03 105.19 107.15 3h2f n GLY 56 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3h2f n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2f s ALA 57 N -2.00 3.25 -0.16 4.61 0.00 -0.65 -4.67 121.76 122.14 3h2f s ALA 57 Ca 0.00 0.87 0.16 0.00 0.00 0.00 0.00 51.96 52.99 3h2f s ALA 57 Cb 0.00 -3.33 -0.23 0.00 0.00 0.00 0.00 23.12 19.55 3h2f s ALA 57 CO 0.00 -0.29 0.41 0.72 0.00 0.00 0.00 175.76 176.60 3h2f n HIS 58 N 0.52 0.00 -3.90 0.00 8.25 0.11 -4.70 115.22 115.49 3h2f n HIS 58 Ca 0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.37 3h2f n HIS 58 Cb 0.46 -0.30 -0.12 0.00 1.12 0.00 0.00 29.99 31.16 3h2f n HIS 58 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h2f s ILE 59 N -3.00 0.06 -0.23 1.59 1.01 -0.95 -4.11 121.20 115.58 3h2f s ILE 59 Ca -0.04 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.10 3h2f s ILE 59 Cb 0.11 -0.23 0.01 0.00 0.01 0.00 0.00 42.46 42.36 3h2f s ILE 59 CO 0.66 -0.27 -0.08 -0.63 0.00 0.00 0.00 174.94 174.62 3h2f s ILE 60 N -0.84 2.87 -0.16 2.92 -1.09 -0.56 -0.90 121.20 123.44 3h2f s ILE 60 Ca -0.09 -0.84 -0.19 0.00 -2.23 0.00 0.00 60.65 57.30 3h2f s ILE 60 Cb -0.06 -2.36 -0.03 0.00 -1.58 0.00 0.00 42.46 38.42 3h2f s ILE 60 CO -0.00 0.34 0.54 -0.62 -1.23 0.00 0.00 174.94 173.97 3h2f s ASP 61 N 1.37 6.66 -0.10 3.58 3.68 -0.33 -1.08 116.67 130.45 3h2f s ASP 61 Ca 0.03 0.79 -0.00 0.00 2.13 0.00 0.00 52.55 55.50 3h2f s ASP 61 Cb -0.15 -2.31 0.02 0.00 -1.45 0.00 0.00 42.92 39.03 3h2f s ASP 61 CO -0.06 -0.14 -0.07 -0.63 0.13 0.00 0.00 175.17 174.41 3h2f s ILE 62 N 1.30 0.90 0.21 4.11 1.01 -0.32 -1.28 121.20 127.13 3h2f s ILE 62 Ca 0.27 -0.23 0.11 0.00 0.00 0.00 0.00 60.65 60.80 3h2f s ILE 62 Cb -0.16 -0.93 -0.05 0.00 0.01 0.00 0.00 42.46 41.34 3h2f s ILE 62 CO 0.11 0.34 -0.21 -0.83 0.00 0.00 0.00 174.94 174.35 3h2f s GLY 63 N 1.62 1.67 -0.01 6.18 0.00 -1.26 -1.38 107.32 114.13 3h2f s GLY 63 Ca 0.02 -1.67 0.14 0.00 0.00 0.00 0.00 44.72 43.21 3h2f s GLY 63 CO -0.06 -1.72 0.40 0.61 0.00 0.00 0.00 173.10 172.33 3h2f n GLY 64 N -0.00 -0.52 3.26 0.20 0.00 -1.26 -4.90 105.19 101.97 3h2f n GLY 64 Ca -0.10 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 3h2f n GLY 64 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3h2f s GLU 65 N -2.74 2.57 0.00 1.61 1.03 -1.26 -4.86 118.70 115.04 3h2f s GLU 65 Ca -0.02 -1.34 0.00 0.00 0.03 0.00 0.00 54.97 53.64 3h2f s GLU 65 Cb 0.09 -3.61 0.00 0.00 -0.80 0.00 0.00 34.13 29.82 3h2f s GLU 65 CO 0.58 -0.81 0.49 1.97 -1.33 0.00 0.00 175.26 176.16 3h2f n PHE 71 N 4.84 0.00 -2.11 4.83 -0.00 -1.26 -5.12 117.46 118.65 3h2f n PHE 71 Ca -0.11 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 56.95 3h2f n PHE 71 Cb 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 39.48 39.90 3h2f n PHE 71 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3h2f s ALA 72 N -2.51 3.36 0.37 1.98 0.00 -1.26 -4.97 121.76 118.73 3h2f s ALA 72 Ca 0.00 1.22 -0.28 0.00 0.00 0.00 0.00 51.96 52.90 3h2f s ALA 72 Cb 0.00 -3.47 -0.11 0.00 0.00 0.00 0.00 23.12 19.54 3h2f s ALA 72 CO 0.00 -0.71 1.45 0.21 0.00 0.00 0.00 175.76 176.71 3h2f s LYS 73 N -2.03 4.13 -0.01 0.00 2.36 -1.26 -5.01 119.74 117.92 3h2f s LYS 73 Ca 0.53 2.49 0.00 0.00 -2.55 0.00 0.00 55.97 56.45 3h2f s LYS 73 Cb -0.38 -2.97 0.01 0.00 -1.05 0.00 0.00 37.83 33.44 3h2f s LYS 73 CO 0.50 -0.48 -0.00 0.54 1.55 0.00 0.00 175.35 177.45 3h2f s VAL 74 N -1.13 0.08 0.65 4.02 0.11 -1.26 -5.11 120.40 117.75 3h2f s VAL 74 Ca 0.52 0.03 -0.07 0.00 -2.93 0.00 0.00 61.98 59.53 3h2f s VAL 74 Cb -0.45 -0.12 0.03 0.00 -1.53 0.00 0.00 36.38 34.31 3h2f s VAL 74 CO 0.61 0.06 0.98 -0.94 -3.33 0.00 0.00 175.10 172.47 3h2f s SER 75 N 0.37 5.33 0.23 3.54 1.04 -1.26 -4.81 113.70 118.14 3h2f s SER 75 Ca -0.03 0.73 -0.09 0.00 0.48 0.00 0.00 55.95 57.04 3h2f s SER 75 Cb -0.05 -1.58 0.36 0.00 0.10 0.00 0.00 66.02 64.84 3h2f s SER 75 CO -0.01 -1.28 1.65 0.58 0.98 0.00 0.00 173.24 175.16 3h2f h VAL 76 N -0.40 0.42 -0.66 5.02 2.07 -2.02 0.53 116.25 121.21 3h2f h VAL 76 Ca -0.45 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.05 3h2f h VAL 76 Cb 1.27 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 3h2f h VAL 76 CO 0.61 0.02 0.41 -0.33 0.02 0.00 0.00 177.57 178.31 3h2f h GLU 77 N 0.11 0.80 -0.02 1.57 4.39 -2.00 -1.99 114.58 117.45 3h2f h GLU 77 Ca 0.37 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.86 3h2f h GLU 77 Cb 0.62 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 3h2f h GLU 77 CO -0.59 0.53 -0.72 0.93 -1.16 0.00 0.00 179.01 177.99 3h2f h GLU 78 N 0.82 0.10 -0.89 2.33 5.08 -1.56 -2.45 114.58 118.01 3h2f h GLU 78 Ca 0.26 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3h2f h GLU 78 Cb -0.01 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 3h2f h GLU 78 CO -0.09 0.77 0.52 1.49 -1.00 0.00 0.00 179.01 180.70 3h2f h GLU 79 N 0.07 1.21 -0.40 2.33 4.81 0.24 -2.04 114.58 120.80 3h2f h GLU 79 Ca -0.02 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.03 3h2f h GLU 79 Cb 1.27 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 3h2f h GLU 79 CO 0.10 0.87 0.00 0.82 -0.73 0.00 0.00 179.01 180.07 3h2f h ILE 80 N 1.23 1.26 -0.08 2.32 2.04 -1.23 -2.19 117.51 120.85 3h2f h ILE 80 Ca 0.32 -1.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 3h2f h ILE 80 Cb -0.02 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3h2f h ILE 80 CO -0.06 0.34 -0.13 0.11 0.00 0.00 0.00 178.15 178.41 3h2f h LYS 81 N 0.54 0.12 0.11 2.37 1.57 -1.19 -0.90 116.57 119.19 3h2f h LYS 81 Ca 0.11 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3h2f h LYS 81 Cb 0.47 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3h2f h LYS 81 CO 0.02 0.26 -0.05 0.00 -0.57 0.00 0.00 179.45 179.11 3h2f h ARG 82 N 0.12 -0.15 0.02 3.15 3.08 -1.32 -3.35 114.38 115.93 3h2f h ARG 82 Ca 0.02 0.01 -0.21 0.00 0.07 0.00 0.00 59.98 59.87 3h2f h ARG 82 Cb 0.32 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3h2f h ARG 82 CO 0.02 0.32 -0.93 -0.24 -1.07 0.00 0.00 179.97 178.07 3h2f h VAL 83 N -0.72 1.49 -0.25 2.04 3.04 -1.14 -3.31 116.25 117.40 3h2f h VAL 83 Ca -0.02 -2.68 -0.01 0.00 -1.01 0.00 0.00 66.70 62.99 3h2f h VAL 83 Cb 0.54 2.53 -0.01 0.00 -2.01 0.00 0.00 31.29 32.33 3h2f h VAL 83 CO 0.03 0.78 0.12 0.58 -1.01 0.00 0.00 177.57 178.07 3h2f h VAL 84 N 0.12 1.15 -0.23 1.51 2.07 -1.35 -0.89 116.25 118.62 3h2f h VAL 84 Ca -0.06 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 3h2f h VAL 84 Cb 1.58 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 3h2f h VAL 84 CO 0.15 0.15 -0.08 -0.65 0.02 0.00 0.00 177.57 177.15 3h2f h PRO 85 N 0.28 0.36 -0.18 1.57 0.11 -1.75 -0.87 132.00 131.51 3h2f h PRO 85 Ca 0.09 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3h2f h PRO 85 Cb 0.13 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 3h2f h PRO 85 CO -0.01 0.45 -0.01 0.52 -0.21 0.00 0.00 178.00 178.74 3h2f h MET 86 N 0.34 0.33 -0.83 1.05 2.86 -1.55 -1.94 114.93 115.20 3h2f h MET 86 Ca 0.07 -0.11 0.08 0.00 -2.06 0.00 0.00 59.70 57.67 3h2f h MET 86 Cb 0.36 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.93 3h2f h MET 86 CO 0.02 0.56 0.49 0.82 1.06 0.00 0.00 176.91 179.86 3h2f h ILE 87 N 0.07 0.97 -0.24 -1.22 2.04 -0.96 -0.37 117.51 117.80 3h2f h ILE 87 Ca 0.05 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 3h2f h ILE 87 Cb 0.42 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 3h2f h ILE 87 CO 0.01 0.16 0.07 1.56 0.00 0.00 0.00 178.15 179.95 3h2f h GLN 88 N 0.86 0.38 -0.04 2.37 4.20 -1.08 -1.20 115.11 120.61 3h2f h GLN 88 Ca 0.38 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 3h2f h GLN 88 Cb 0.26 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 3h2f h GLN 88 CO -0.21 0.47 -0.03 0.00 -0.67 0.00 0.00 178.83 178.39 3h2f h ALA 89 N 0.89 0.05 -0.64 3.87 0.00 -1.19 -2.60 119.26 119.65 3h2f h ALA 89 Ca 0.08 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3h2f h ALA 89 Cb 0.25 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3h2f h ALA 89 CO -0.00 -0.18 0.42 0.28 0.00 0.00 0.00 179.25 179.77 3h2f h VAL 90 N -0.36 1.15 0.00 0.00 2.07 -1.12 -0.54 116.25 117.45 3h2f h VAL 90 Ca 0.01 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 3h2f h VAL 90 Cb 0.52 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3h2f h VAL 90 CO 0.01 0.16 -0.22 0.77 0.02 0.00 0.00 177.57 178.31 3h2f h SER 91 N 0.85 0.00 0.45 0.57 4.64 -1.24 0.33 113.55 119.15 3h2f h SER 91 Ca 0.24 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.29 3h2f h SER 91 Cb -0.09 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.02 3h2f h SER 91 CO -0.06 0.22 -1.18 0.50 -0.87 0.00 0.00 176.83 175.43 3h2f h LYS 92 N 0.00 0.38 0.00 4.77 3.64 -1.18 -3.40 116.57 120.78 3h2f h LYS 92 Ca -0.00 -0.55 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 3h2f h LYS 92 Cb 0.64 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 3h2f h LYS 92 CO 0.03 1.23 -1.69 0.39 -2.27 0.00 0.00 179.45 177.14 3h2f n GLU 93 N -3.64 0.64 -4.04 1.90 1.02 -0.24 -4.90 120.64 111.37 3h2f n GLU 93 Ca -0.09 -0.14 -0.27 0.00 -0.02 0.00 0.00 57.16 56.64 3h2f n GLU 93 Cb 0.97 -1.43 -0.17 0.00 -0.02 0.00 0.00 31.44 30.80 3h2f n GLU 93 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h2f s VAL 94 N -3.20 1.09 -1.23 2.62 1.01 0.11 -5.02 120.40 115.79 3h2f s VAL 94 Ca -0.05 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 3h2f s VAL 94 Cb 0.12 -1.08 0.20 0.00 0.00 0.00 0.00 36.38 35.63 3h2f s VAL 94 CO 0.77 0.37 1.75 0.29 0.00 0.00 0.00 175.10 178.29 3h2f n LYS 95 N 4.71 3.83 -4.03 2.72 4.76 -1.26 -4.51 118.16 124.38 3h2f n LYS 95 Ca -0.15 -3.81 -0.10 0.00 -2.87 0.00 0.00 58.31 51.39 3h2f n LYS 95 Cb 0.50 -2.82 -0.11 0.00 -1.84 0.00 0.00 35.03 30.76 3h2f n LYS 95 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3h2f s LEU 96 N -0.75 2.30 0.64 -0.35 1.43 -1.26 -5.14 118.68 115.55 3h2f s LEU 96 Ca 0.37 -0.62 -0.17 0.00 -1.03 0.00 0.00 54.13 52.68 3h2f s LEU 96 Cb 0.08 0.05 -0.01 0.00 0.03 0.00 0.00 46.19 46.34 3h2f s LEU 96 CO 0.03 -0.34 1.17 -2.16 0.23 0.00 0.00 176.35 175.28 3h2f s PRO 97 N -2.04 2.78 -0.10 1.29 0.04 -1.26 -4.83 135.00 130.89 3h2f s PRO 97 Ca -0.09 1.66 0.02 0.00 0.04 0.00 0.00 61.00 62.63 3h2f s PRO 97 Cb -0.06 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 3h2f s PRO 97 CO -0.02 -1.32 -0.17 0.42 0.04 0.00 0.00 177.00 175.94 3h2f s ILE 98 N -1.92 2.69 -0.10 0.56 1.01 -1.26 -1.50 121.20 120.68 3h2f s ILE 98 Ca 0.73 -0.81 -0.04 0.00 0.00 0.00 0.00 60.65 60.53 3h2f s ILE 98 Cb -0.26 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 3h2f s ILE 98 CO 0.37 0.55 0.06 -0.94 0.00 0.00 0.00 174.94 174.98 3h2f s SER 99 N 0.05 5.68 -0.29 3.58 1.04 -0.24 -0.14 113.70 123.39 3h2f s SER 99 Ca -0.07 0.27 -0.13 0.00 0.48 0.00 0.00 55.95 56.50 3h2f s SER 99 Cb -0.15 -1.70 -0.04 0.00 0.10 0.00 0.00 66.02 64.23 3h2f s SER 99 CO 0.05 0.39 0.26 -0.51 0.98 0.00 0.00 173.24 174.41 3h2f s ILE 100 N -0.95 5.26 -0.80 -1.02 1.10 0.52 -1.18 121.20 124.13 3h2f s ILE 100 Ca 0.14 0.23 -0.22 0.00 -0.51 0.00 0.00 60.65 60.29 3h2f s ILE 100 Cb -0.12 -3.62 0.08 0.00 0.15 0.00 0.00 42.46 38.95 3h2f s ILE 100 CO 0.03 0.17 1.13 -0.62 -2.11 0.00 0.00 174.94 173.54 3h2f s ASP 101 N 1.72 6.34 -0.10 4.50 3.68 -0.48 0.31 116.67 132.64 3h2f s ASP 101 Ca 0.09 -1.24 -0.24 0.00 2.13 0.00 0.00 52.55 53.29 3h2f s ASP 101 Cb -0.16 -2.46 0.06 0.00 -1.45 0.00 0.00 42.92 38.90 3h2f s ASP 101 CO 0.11 -1.42 0.57 0.28 0.13 0.00 0.00 175.17 174.84 3h2f s THR 102 N 4.13 0.01 -1.29 1.71 -1.32 -0.76 -4.31 115.64 113.81 3h2f s THR 102 Ca 0.31 -0.10 0.14 0.00 -1.21 0.00 0.00 61.69 60.82 3h2f s THR 102 Cb -0.10 -0.86 0.39 0.00 -1.51 0.00 0.00 72.50 70.41 3h2f s THR 102 CO 0.03 -0.06 1.31 0.00 -2.21 0.00 0.00 174.62 173.69 3h2f n TYR 103 N 1.57 0.57 -3.80 9.09 0.18 -1.26 -4.07 117.16 119.44 3h2f n TYR 103 Ca -0.18 -0.46 -0.36 0.00 1.88 0.00 0.00 57.90 58.78 3h2f n TYR 103 Cb 0.56 -0.02 -0.11 0.00 -0.38 0.00 0.00 39.34 39.40 3h2f n TYR 103 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3h2f s LYS 104 N -1.02 3.87 0.22 -3.48 1.02 -1.26 -4.00 119.74 115.09 3h2f s LYS 104 Ca 0.30 -0.38 -0.09 0.00 0.02 0.00 0.00 55.97 55.82 3h2f s LYS 104 Cb 0.16 -3.38 0.32 0.00 -0.52 0.00 0.00 37.83 34.41 3h2f s LYS 104 CO 0.21 -0.00 1.72 0.00 -0.92 0.00 0.00 175.35 176.35 3h2f h ALA 105 N 7.65 0.78 -0.25 5.17 0.00 -1.90 -1.28 119.26 129.44 3h2f h ALA 105 Ca -0.37 0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 3h2f h ALA 105 Cb 1.18 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3h2f h ALA 105 CO 0.62 -0.27 -0.38 1.49 0.00 0.00 0.00 179.25 180.71 3h2f h GLU 106 N 0.32 0.56 -0.42 0.00 4.57 -1.95 -1.58 114.58 116.08 3h2f h GLU 106 Ca 0.33 -0.28 -0.15 0.00 -1.18 0.00 0.00 59.36 58.08 3h2f h GLU 106 Cb 0.48 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 3h2f h GLU 106 CO -0.38 0.86 -0.32 0.28 -1.18 0.00 0.00 179.01 178.26 3h2f h VAL 107 N 0.47 1.27 -0.48 0.32 2.07 -1.85 -2.44 116.25 115.60 3h2f h VAL 107 Ca 0.04 -1.49 0.01 0.00 0.82 0.00 0.00 66.70 66.08 3h2f h VAL 107 Cb 0.88 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 3h2f h VAL 107 CO 0.08 0.50 0.32 0.00 0.02 0.00 0.00 177.57 178.49 3h2f h ALA 108 N 0.80 0.61 0.31 1.67 0.00 -0.85 -1.43 119.26 120.37 3h2f h ALA 108 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3h2f h ALA 108 Cb 0.91 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3h2f h ALA 108 CO 0.08 0.06 -0.15 -0.22 0.00 0.00 0.00 179.25 179.02 3h2f h LYS 109 N 0.65 -0.41 -0.75 0.00 3.64 -1.21 -1.65 116.57 116.85 3h2f h LYS 109 Ca 0.18 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 3h2f h LYS 109 Cb -0.07 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 3h2f h LYS 109 CO -0.04 -0.27 0.33 1.96 -2.27 0.00 0.00 179.45 179.16 3h2f h GLN 110 N -0.42 1.10 -0.72 1.90 1.08 -1.39 -1.86 115.11 114.80 3h2f h GLN 110 Ca -0.04 -0.17 0.01 0.00 -1.45 0.00 0.00 58.65 57.00 3h2f h GLN 110 Cb 0.33 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 27.53 3h2f h GLN 110 CO 0.06 0.87 0.47 0.00 -0.95 0.00 0.00 178.83 179.29 3h2f h ALA 111 N 1.27 0.93 -0.45 3.87 0.00 -1.14 0.20 119.26 123.93 3h2f h ALA 111 Ca 0.26 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 3h2f h ALA 111 Cb 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3h2f h ALA 111 CO -0.03 0.32 -0.09 0.82 0.00 0.00 0.00 179.25 180.27 3h2f h ILE 112 N 0.96 1.27 0.00 0.00 2.04 -1.15 0.24 117.51 120.87 3h2f h ILE 112 Ca 0.27 -1.20 -0.04 0.00 1.00 0.00 0.00 64.86 64.89 3h2f h ILE 112 Cb -0.08 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3h2f h ILE 112 CO -0.07 0.41 -0.20 -0.33 0.00 0.00 0.00 178.15 177.96 3h2f h GLU 113 N 0.70 0.00 -0.00 2.37 4.39 -1.17 -1.45 114.58 119.42 3h2f h GLU 113 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 3h2f h GLU 113 Cb 0.62 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3h2f h GLU 113 CO 0.04 0.20 -0.17 0.00 -1.16 0.00 0.00 179.01 177.93 3h2f n ALA 114 N -2.49 2.85 0.00 3.43 0.00 0.68 -4.93 120.51 120.04 3h2f n ALA 114 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3h2f n ALA 114 Cb 0.27 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3h2f n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2f n GLY 115 N 1.36 0.84 3.77 0.00 0.00 -0.55 -4.02 105.19 106.59 3h2f n GLY 115 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3h2f n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2f s ALA 116 N -1.15 2.70 -0.06 4.61 0.00 0.77 -4.78 121.76 123.86 3h2f s ALA 116 Ca 0.00 0.90 0.11 0.00 0.00 0.00 0.00 51.96 52.97 3h2f s ALA 116 Cb 0.00 -3.39 -0.16 0.00 0.00 0.00 0.00 23.12 19.57 3h2f s ALA 116 CO 0.00 -0.86 0.16 0.72 0.00 0.00 0.00 175.76 175.77 3h2f n HIS 117 N -1.24 0.00 -4.03 0.00 -0.00 0.81 -4.36 115.22 106.40 3h2f n HIS 117 Ca 0.11 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.69 3h2f n HIS 117 Cb 0.50 -0.40 -0.14 0.00 -0.00 0.00 0.00 29.99 29.95 3h2f n HIS 117 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3h2f s ILE 118 N -2.56 0.24 -0.19 1.59 1.01 -0.47 -4.12 121.20 116.70 3h2f s ILE 118 Ca -0.05 -0.13 -0.13 0.00 0.00 0.00 0.00 60.65 60.34 3h2f s ILE 118 Cb 0.06 -0.21 -0.05 0.00 0.01 0.00 0.00 42.46 42.27 3h2f s ILE 118 CO 0.47 0.06 0.26 -0.63 0.00 0.00 0.00 174.94 175.10 3h2f s ILE 119 N -0.08 5.31 -0.47 2.92 1.01 -0.47 -0.36 121.20 129.07 3h2f s ILE 119 Ca 0.01 0.44 -0.06 0.00 0.00 0.00 0.00 60.65 61.05 3h2f s ILE 119 Cb -0.01 -3.60 0.12 0.00 0.01 0.00 0.00 42.46 38.98 3h2f s ILE 119 CO -0.00 0.36 0.31 0.21 0.00 0.00 0.00 174.94 175.82 3h2f s ASN 120 N 0.69 5.48 -0.42 3.58 2.47 0.15 -0.30 114.94 126.59 3h2f s ASN 120 Ca 0.14 -2.10 -0.10 0.00 0.42 0.00 0.00 52.86 51.21 3h2f s ASN 120 Cb -0.13 -1.92 0.07 0.00 -1.45 0.00 0.00 41.25 37.82 3h2f s ASN 120 CO 0.04 -0.59 0.27 -0.62 -3.72 0.00 0.00 177.10 172.48 3h2f s ASP 121 N 2.05 5.73 0.06 -4.21 3.68 -0.82 -1.83 116.67 121.33 3h2f s ASP 121 Ca 0.09 -1.37 0.10 0.00 2.13 0.00 0.00 52.55 53.49 3h2f s ASP 121 Cb -0.24 -2.02 0.44 0.00 -1.45 0.00 0.00 42.92 39.65 3h2f s ASP 121 CO -0.03 -0.52 1.30 2.30 0.13 0.00 0.00 175.17 178.35 3h2f n ILE 122 N 4.98 1.43 -0.16 4.11 -5.35 -1.26 -1.83 119.36 121.28 3h2f n ILE 122 Ca -0.11 0.41 0.06 0.00 -0.27 0.00 0.00 62.75 62.84 3h2f n ILE 122 Cb 0.44 -1.32 0.16 0.00 -1.74 0.00 0.00 39.64 37.18 3h2f n ILE 122 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3h2f n TRP 123 N -1.65 0.47 -3.92 4.28 7.02 -1.26 -4.50 117.44 117.88 3h2f n TRP 123 Ca 0.01 -0.48 -0.28 0.00 -1.02 0.00 0.00 57.50 55.73 3h2f n TRP 123 Cb 0.09 -0.02 0.01 0.00 -2.42 0.00 0.00 31.31 28.96 3h2f n TRP 123 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3h2f n GLY 124 N 0.56 -0.40 2.51 6.99 0.00 -0.76 -1.33 105.19 112.76 3h2f n GLY 124 Ca 0.12 0.16 -0.02 0.00 0.00 0.00 0.00 46.02 46.28 3h2f n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2f n ALA 125 N -4.50 -0.03 -0.03 4.61 0.00 -1.26 -4.60 120.51 114.69 3h2f n ALA 125 Ca -0.08 0.03 -0.06 0.00 0.00 0.00 0.00 53.44 53.33 3h2f n ALA 125 Cb 0.58 -0.93 -0.13 0.00 0.00 0.00 0.00 19.45 18.97 3h2f n ALA 125 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h2f n LYS 126 N -1.14 0.64 0.00 0.00 5.02 -0.44 -3.10 118.16 119.15 3h2f n LYS 126 Ca -0.02 0.20 -0.17 0.00 -2.02 0.00 0.00 58.31 56.29 3h2f n LYS 126 Cb 0.30 -1.73 -0.10 0.00 -0.02 0.00 0.00 35.03 33.47 3h2f n LYS 126 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h2f h ALA 127 N 1.13 0.11 -2.65 7.82 0.00 -1.88 -3.40 119.26 120.38 3h2f h ALA 127 Ca -0.31 -0.57 -0.59 0.00 0.00 0.00 0.00 54.91 53.44 3h2f h ALA 127 Cb 1.93 0.03 -0.39 0.00 0.00 0.00 0.00 17.79 19.36 3h2f h ALA 127 CO 0.06 0.40 -0.84 -1.21 0.00 0.00 0.00 179.25 177.66 3h2f s GLU 128 N -3.32 0.85 0.66 0.00 2.02 -1.26 -5.01 118.70 112.64 3h2f s GLU 128 Ca -0.13 -1.70 0.31 0.00 0.02 0.00 0.00 54.97 53.47 3h2f s GLU 128 Cb 0.04 -1.64 1.70 0.00 0.10 0.00 0.00 34.13 34.34 3h2f s GLU 128 CO 0.84 -1.23 1.97 -1.35 0.02 0.00 0.00 175.26 175.50 3h2f h PRO 129 N 6.63 0.00 0.00 0.39 0.11 -1.77 -1.25 132.00 136.11 3h2f h PRO 129 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3h2f h PRO 129 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3h2f h PRO 129 CO 0.35 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 179.01 3h2f h LYS 130 N 0.00 0.00 0.00 1.05 1.57 -1.95 -2.33 116.57 114.91 3h2f h LYS 130 Ca 0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3h2f h LYS 130 Cb 0.63 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 3h2f h LYS 130 CO -0.00 0.00 -0.15 0.97 -0.57 0.00 0.00 179.45 179.70 3h2f h ILE 131 N 0.00 0.76 0.03 1.86 2.10 -1.56 -0.84 117.51 119.85 3h2f h ILE 131 Ca 0.00 -0.58 -0.21 0.00 1.08 0.00 0.00 64.86 65.15 3h2f h ILE 131 Cb 0.27 1.34 -0.01 0.00 -1.09 0.00 0.00 36.82 37.33 3h2f h ILE 131 CO 0.00 0.14 -0.97 0.00 -1.08 0.00 0.00 178.15 176.24 3h2f h ALA 132 N 1.85 0.41 -0.58 0.18 0.00 -1.64 -0.80 119.26 118.69 3h2f h ALA 132 Ca -0.00 -0.81 -0.08 0.00 0.00 0.00 0.00 54.91 54.02 3h2f h ALA 132 Cb 0.33 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3h2f h ALA 132 CO 0.02 1.03 0.05 0.93 0.00 0.00 0.00 179.25 181.27 3h2f h GLU 133 N 0.06 0.99 0.10 0.00 5.08 -1.44 0.93 114.58 120.30 3h2f h GLU 133 Ca -0.05 -0.29 0.02 0.00 -1.00 0.00 0.00 59.36 58.04 3h2f h GLU 133 Cb 1.66 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.78 3h2f h GLU 133 CO 0.14 0.97 -0.21 0.28 -1.00 0.00 0.00 179.01 179.19 3h2f h VAL 134 N 0.89 0.52 -0.40 3.13 2.07 -1.11 -0.36 116.25 120.99 3h2f h VAL 134 Ca 0.17 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.76 3h2f h VAL 134 Cb 0.49 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 30.71 3h2f h VAL 134 CO 0.02 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.60 3h2f h ALA 135 N 0.41 0.36 -0.55 1.67 0.00 -1.05 -2.26 119.26 117.84 3h2f h ALA 135 Ca 0.03 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3h2f h ALA 135 Cb 0.42 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3h2f h ALA 135 CO -0.13 -0.40 0.34 0.00 0.00 0.00 0.00 179.25 179.06 3h2f h ALA 136 N 1.36 0.70 -0.43 0.00 0.00 -0.67 -0.20 119.26 120.02 3h2f h ALA 136 Ca 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3h2f h ALA 136 Cb 0.28 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3h2f h ALA 136 CO -0.34 0.17 0.24 1.25 0.00 0.00 0.00 179.25 180.58 3h2f h HIS 137 N 0.74 0.57 0.00 0.00 6.17 -0.81 -3.09 115.15 118.73 3h2f h HIS 137 Ca 0.20 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.27 3h2f h HIS 137 Cb -0.03 -0.19 0.00 0.00 2.52 0.00 0.00 27.41 29.71 3h2f h HIS 137 CO -0.03 0.42 -0.28 0.66 0.71 0.00 0.00 177.93 179.42 3h2f n TYR 138 N -4.73 0.23 -2.89 5.26 4.01 -0.87 -4.94 117.16 113.23 3h2f n TYR 138 Ca 0.01 0.07 -0.17 0.00 -0.16 0.00 0.00 57.90 57.65 3h2f n TYR 138 Cb 0.07 -0.51 0.03 0.00 -0.31 0.00 0.00 39.34 38.62 3h2f n TYR 138 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3h2f n ASP 139 N -1.72 -4.98 -4.92 7.72 4.64 -0.10 -5.01 116.55 112.19 3h2f n ASP 139 Ca 0.06 -0.24 -0.28 0.00 -1.38 0.00 0.00 54.79 52.94 3h2f n ASP 139 Cb 0.37 -3.79 -0.03 0.00 -1.04 0.00 0.00 41.12 36.62 3h2f n ASP 139 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3h2f s VAL 140 N -3.04 5.15 0.53 5.18 -7.23 -1.13 -4.97 120.40 114.88 3h2f s VAL 140 Ca 0.25 -0.19 -0.21 0.00 -1.81 0.00 0.00 61.98 60.02 3h2f s VAL 140 Cb -0.11 -3.71 -0.05 0.00 0.56 0.00 0.00 36.38 33.06 3h2f s VAL 140 CO 0.31 -0.16 1.27 -2.84 -0.31 0.00 0.00 175.10 173.37 3h2f s PRO 141 N -3.24 3.29 -0.05 4.82 0.02 -1.26 -4.81 135.00 133.78 3h2f s PRO 141 Ca 0.40 2.01 0.01 0.00 0.02 0.00 0.00 61.00 63.44 3h2f s PRO 141 Cb -0.11 -2.24 0.02 0.00 0.02 0.00 0.00 34.50 32.19 3h2f s PRO 141 CO 0.28 -1.00 -0.05 -1.50 -0.33 0.00 0.00 177.00 174.40 3h2f s ILE 142 N -1.43 0.59 -0.25 2.83 2.07 0.60 -1.36 121.20 124.24 3h2f s ILE 142 Ca 0.70 -0.15 -0.19 0.00 -1.41 0.00 0.00 60.65 59.60 3h2f s ILE 142 Cb -0.35 -0.61 -0.02 0.00 0.13 0.00 0.00 42.46 41.61 3h2f s ILE 142 CO 0.41 0.24 0.58 -0.63 -1.91 0.00 0.00 174.94 173.63 3h2f s ILE 143 N 0.94 5.02 -0.44 2.00 1.01 0.58 -2.22 121.20 128.09 3h2f s ILE 143 Ca -0.11 1.04 -0.13 0.00 0.00 0.00 0.00 60.65 61.45 3h2f s ILE 143 Cb -0.14 -3.89 0.07 0.00 0.01 0.00 0.00 42.46 38.50 3h2f s ILE 143 CO 0.00 0.05 0.32 -0.76 0.00 0.00 0.00 174.94 174.56 3h2f s LEU 144 N 2.40 5.32 0.17 2.97 1.43 0.30 -1.94 118.68 129.34 3h2f s LEU 144 Ca 0.24 -1.32 -0.16 0.00 -1.03 0.00 0.00 54.13 51.87 3h2f s LEU 144 Cb -0.16 -2.10 -0.07 0.00 0.03 0.00 0.00 46.19 43.89 3h2f s LEU 144 CO 0.09 -0.57 0.60 -0.32 0.23 0.00 0.00 176.35 176.38 3h2f s MET 145 N 1.56 4.06 0.06 1.70 1.75 -0.95 -2.48 119.30 125.00 3h2f s MET 145 Ca 0.03 0.60 -0.31 0.00 -1.25 0.00 0.00 55.69 54.77 3h2f s MET 145 Cb -0.23 -2.92 -0.06 0.00 2.84 0.00 0.00 34.83 34.46 3h2f s MET 145 CO 0.05 0.46 1.33 -1.58 -0.65 0.00 0.00 175.02 174.62 3h2f s HIS 146 N -1.48 3.20 0.09 4.11 2.46 0.11 -3.56 115.29 120.22 3h2f s HIS 146 Ca 0.39 1.03 -0.22 0.00 0.47 0.00 0.00 55.06 56.74 3h2f s HIS 146 Cb -0.16 -3.59 0.05 0.00 -0.13 0.00 0.00 32.58 28.76 3h2f s HIS 146 CO 0.20 -2.02 0.52 1.21 -2.47 0.00 0.00 174.74 172.18 3h2f s ASN 147 N 1.32 -0.44 0.30 9.88 3.84 -1.26 -4.01 114.94 124.56 3h2f s ASN 147 Ca 0.62 0.06 -0.16 0.00 0.21 0.00 0.00 52.86 53.58 3h2f s ASN 147 Cb -0.33 0.52 0.02 0.00 -0.55 0.00 0.00 41.25 40.91 3h2f s ASN 147 CO 0.28 -0.80 0.65 0.00 -2.79 0.00 0.00 177.10 174.44 3h2f s ARG 148 N -2.99 1.82 -0.16 0.43 1.70 -1.26 -5.03 118.95 113.45 3h2f s ARG 148 Ca -0.02 -1.21 0.15 0.00 -0.47 0.00 0.00 55.73 54.18 3h2f s ARG 148 Cb -0.00 0.56 0.72 0.00 -0.57 0.00 0.00 34.95 35.66 3h2f s ARG 148 CO -0.06 -0.81 1.62 -0.40 -1.08 0.00 0.00 175.30 174.57 3h2f n ASP 149 N -0.69 4.95 -3.54 -2.89 5.68 -1.26 -4.58 116.55 114.23 3h2f n ASP 149 Ca -0.04 -2.63 -0.11 0.00 -0.50 0.00 0.00 54.79 51.51 3h2f n ASP 149 Cb 0.60 -0.62 -0.03 0.00 -1.14 0.00 0.00 41.12 39.94 3h2f n ASP 149 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3h2f s ASN 150 N -0.80 -0.44 -0.23 -1.12 2.20 -1.26 -5.07 114.94 108.22 3h2f s ASN 150 Ca 0.50 -0.17 0.13 0.00 -0.94 0.00 0.00 52.86 52.38 3h2f s ASN 150 Cb 0.35 0.58 0.52 0.00 -2.00 0.00 0.00 41.25 40.70 3h2f s ASN 150 CO 0.19 -0.99 1.45 0.23 -2.94 0.00 0.00 177.10 175.04 3h2f n MET 151 N -0.35 2.47 -1.70 3.55 2.81 -1.26 -4.88 117.12 117.76 3h2f n MET 151 Ca -0.15 -2.97 -0.42 0.00 -1.81 0.00 0.00 57.70 52.36 3h2f n MET 151 Cb 0.64 -1.84 -0.00 0.00 -0.71 0.00 0.00 33.22 31.30 3h2f n MET 151 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3h2f n ASN 152 N -0.78 4.63 -4.72 7.83 3.02 -1.26 -4.95 115.26 119.03 3h2f n ASN 152 Ca 0.27 -2.82 -0.41 0.00 -0.03 0.00 0.00 54.58 51.59 3h2f n ASN 152 Cb 0.97 -1.64 -0.04 0.00 -0.61 0.00 0.00 39.78 38.46 3h2f n ASN 152 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3h2f s TYR 153 N 2.91 3.70 -0.04 3.10 1.51 -1.26 -4.93 117.35 122.34 3h2f s TYR 153 Ca 0.50 1.62 -0.22 0.00 -1.01 0.00 0.00 57.07 57.96 3h2f s TYR 153 Cb 0.14 -3.00 -0.17 0.00 -0.11 0.00 0.00 41.96 38.83 3h2f s TYR 153 CO -0.08 0.11 0.95 -0.09 -1.11 0.00 0.00 175.55 175.33 3h2f h ARG 154 N 6.26 -0.19 -2.37 -0.62 2.43 -2.01 -3.44 114.38 114.43 3h2f h ARG 154 Ca -0.42 0.01 -0.30 0.00 -0.81 0.00 0.00 59.98 58.47 3h2f h ARG 154 Cb 1.21 0.04 -0.35 0.00 -0.42 0.00 0.00 29.97 30.46 3h2f h ARG 154 CO 0.73 0.25 -0.61 1.21 -1.51 0.00 0.00 179.97 180.05 3h2f s ASN 155 N -5.49 1.29 0.15 -3.80 2.47 -1.26 -5.08 114.94 103.22 3h2f s ASN 155 Ca -0.13 -0.26 -0.21 0.00 0.42 0.00 0.00 52.86 52.68 3h2f s ASN 155 Cb 0.01 0.50 0.04 0.00 -1.45 0.00 0.00 41.25 40.35 3h2f s ASN 155 CO 0.51 -0.33 1.28 -0.11 -3.72 0.00 0.00 177.10 174.73 3h2f n LEU 156 N 5.32 -0.75 0.10 3.21 7.94 -1.26 -0.61 117.00 130.95 3h2f n LEU 156 Ca -0.05 1.46 -0.19 0.00 -1.11 0.00 0.00 56.01 56.13 3h2f n LEU 156 Cb 0.49 -0.24 -0.15 0.00 0.53 0.00 0.00 43.42 44.05 3h2f n LEU 156 CO 0.07 -1.24 -0.23 0.24 -1.11 0.00 0.00 177.39 175.12 3h2f h MET 157 N 0.00 0.34 -0.69 1.96 2.86 -1.98 0.06 114.93 117.49 3h2f h MET 157 Ca 0.19 -0.59 0.03 0.00 -2.06 0.00 0.00 59.70 57.27 3h2f h MET 157 Cb 0.40 0.22 -0.04 0.00 0.06 0.00 0.00 31.60 32.23 3h2f h MET 157 CO -0.79 1.25 0.43 0.00 1.06 0.00 0.00 176.91 178.86 3h2f h ALA 158 N 0.41 0.89 -0.50 6.32 0.00 -1.91 -1.23 119.26 123.24 3h2f h ALA 158 Ca -0.22 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 3h2f h ALA 158 Cb 2.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 3h2f h ALA 158 CO 0.21 0.21 -0.04 -0.44 0.00 0.00 0.00 179.25 179.19 3h2f h ASP 159 N 0.85 0.90 -0.58 0.00 3.32 -0.75 -1.43 116.42 118.74 3h2f h ASP 159 Ca 0.27 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 3h2f h ASP 159 Cb 0.00 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 3h2f h ASP 159 CO -0.10 1.01 0.23 0.24 -1.72 0.00 0.00 179.24 178.90 3h2f h MET 160 N 0.77 0.86 -0.38 3.56 2.86 -0.71 -0.49 114.93 121.40 3h2f h MET 160 Ca 0.14 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3h2f h MET 160 Cb 0.57 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 3h2f h MET 160 CO 0.03 0.74 0.14 0.82 1.06 0.00 0.00 176.91 179.70 3h2f h ILE 161 N 0.79 1.20 -0.26 -1.22 2.04 -1.18 0.87 117.51 119.75 3h2f h ILE 161 Ca 0.19 -0.65 0.06 0.00 1.00 0.00 0.00 64.86 65.46 3h2f h ILE 161 Cb 0.20 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 3h2f h ILE 161 CO -0.02 0.23 -0.11 0.00 0.00 0.00 0.00 178.15 178.26 3h2f h ALA 162 N 0.98 0.12 -0.62 1.87 0.00 -1.12 -0.36 119.26 120.13 3h2f h ALA 162 Ca 0.12 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3h2f h ALA 162 Cb 0.22 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3h2f h ALA 162 CO -0.01 -0.51 0.21 -0.44 0.00 0.00 0.00 179.25 178.50 3h2f h ASP 163 N -0.06 0.88 -0.60 0.00 3.32 -0.78 -1.85 116.42 117.32 3h2f h ASP 163 Ca 0.14 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 3h2f h ASP 163 Cb 0.27 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 3h2f h ASP 163 CO -0.31 0.84 0.26 -0.07 -1.72 0.00 0.00 179.24 178.25 3h2f h LEU 164 N 0.87 0.82 -0.94 1.55 3.38 -0.65 -2.64 115.31 117.69 3h2f h LEU 164 Ca 0.20 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3h2f h LEU 164 Cb 0.26 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 3h2f h LEU 164 CO -0.01 0.75 0.62 0.22 0.09 0.00 0.00 178.44 180.10 3h2f h TYR 165 N 0.83 1.16 -0.78 1.13 3.20 -0.70 0.01 116.97 121.82 3h2f h TYR 165 Ca 0.20 0.03 0.17 0.00 3.14 0.00 0.00 58.73 62.28 3h2f h TYR 165 Cb 0.17 -0.39 -0.05 0.00 1.54 0.00 0.00 36.73 38.00 3h2f h TYR 165 CO 0.01 0.71 0.53 -0.44 -1.64 0.00 0.00 178.16 177.32 3h2f h ASP 166 N 1.23 0.33 -0.09 -2.11 3.32 -1.14 0.20 116.42 118.16 3h2f h ASP 166 Ca 0.36 0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.28 3h2f h ASP 166 Cb -0.08 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 39.44 3h2f h ASP 166 CO -0.09 0.16 -0.53 0.28 -1.72 0.00 0.00 179.24 177.33 3h2f h SER 167 N 0.34 0.62 -0.62 6.45 0.02 -0.70 -2.71 113.55 116.95 3h2f h SER 167 Ca 0.39 -0.66 0.04 0.00 -0.84 0.00 0.00 61.79 60.72 3h2f h SER 167 Cb 1.02 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.33 3h2f h SER 167 CO -0.11 1.18 0.37 0.40 -1.14 0.00 0.00 176.83 177.52 3h2f h ILE 168 N 0.11 1.04 -0.37 3.27 2.04 -0.65 -1.55 117.51 121.39 3h2f h ILE 168 Ca -0.04 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.60 3h2f h ILE 168 Cb 1.18 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 3h2f h ILE 168 CO 0.11 0.13 0.18 0.50 0.00 0.00 0.00 178.15 179.07 3h2f h LYS 169 N 0.72 0.37 -0.91 2.37 1.63 -0.99 0.24 116.57 119.99 3h2f h LYS 169 Ca 0.26 -0.02 0.03 0.00 -0.85 0.00 0.00 60.65 60.06 3h2f h LYS 169 Cb 0.07 -0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 31.56 3h2f h LYS 169 CO -0.12 0.24 0.59 0.82 -3.45 0.00 0.00 179.45 177.53 3h2f h ILE 170 N 0.38 1.18 -0.11 2.00 2.04 -1.20 -1.34 117.51 120.45 3h2f h ILE 170 Ca 0.16 -0.40 -0.10 0.00 1.00 0.00 0.00 64.86 65.52 3h2f h ILE 170 Cb 0.07 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.05 3h2f h ILE 170 CO -0.11 0.21 -0.32 0.00 0.00 0.00 0.00 178.15 177.93 3h2f h ALA 171 N 1.36 0.18 -0.56 1.87 0.00 -0.83 -2.95 119.26 118.34 3h2f h ALA 171 Ca 0.35 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3h2f h ALA 171 Cb -0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3h2f h ALA 171 CO -0.10 0.23 0.13 0.87 0.00 0.00 0.00 179.25 180.37 3h2f h LYS 172 N -0.02 0.87 0.00 0.00 1.57 -0.45 -1.03 116.57 117.51 3h2f h LYS 172 Ca -0.01 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 3h2f h LYS 172 Cb 0.94 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.12 3h2f h LYS 172 CO 0.07 0.79 -0.04 -0.44 -0.57 0.00 0.00 179.45 179.25 3h2f h ASP 173 N 0.83 0.00 0.27 0.86 3.45 -1.28 -1.24 116.42 119.31 3h2f h ASP 173 Ca 0.18 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.64 3h2f h ASP 173 Cb 0.32 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.09 3h2f h ASP 173 CO 0.00 0.04 -0.22 0.00 -1.57 0.00 0.00 179.24 177.50 3h2f n ALA 174 N -2.14 2.99 -0.36 3.45 0.00 -0.99 -4.93 120.51 118.52 3h2f n ALA 174 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.06 3h2f n ALA 174 Cb 0.24 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3h2f n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2f n GLY 175 N 1.32 0.80 3.70 0.00 0.00 -0.47 -4.70 105.19 105.85 3h2f n GLY 175 Ca 0.13 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3h2f n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h2f s VAL 176 N -2.00 2.82 0.27 1.61 1.01 -0.42 -4.80 120.40 118.88 3h2f s VAL 176 Ca 0.00 0.47 -0.29 0.00 0.00 0.00 0.00 61.98 62.16 3h2f s VAL 176 Cb 0.00 -3.30 -0.09 0.00 0.00 0.00 0.00 36.38 32.99 3h2f s VAL 176 CO 0.00 0.02 1.12 -0.13 0.00 0.00 0.00 175.10 176.11 3h2f s ARG 177 N 1.84 4.60 0.36 2.72 0.52 -1.26 -4.40 118.95 123.33 3h2f s ARG 177 Ca 0.72 1.83 0.19 0.00 -0.52 0.00 0.00 55.73 57.95 3h2f s ARG 177 Cb -0.42 -3.19 1.27 0.00 0.52 0.00 0.00 34.95 33.13 3h2f s ARG 177 CO 0.32 0.15 1.60 -0.44 0.02 0.00 0.00 175.30 176.95 3h2f h ASP 178 N 4.04 0.38 0.43 0.23 3.32 -1.97 0.25 116.42 123.10 3h2f h ASP 178 Ca -0.46 0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.83 3h2f h ASP 178 Cb 1.21 0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.99 3h2f h ASP 178 CO 0.68 -0.35 0.00 -0.33 -1.72 0.00 0.00 179.24 177.52 3h2f h GLU 179 N 0.10 0.00 -0.58 3.56 5.08 -2.00 -2.66 114.58 118.08 3h2f h GLU 179 Ca 0.82 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.18 3h2f h GLU 179 Cb 2.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.33 3h2f h GLU 179 CO -0.72 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.38 3h2f n ASN 180 N -2.39 4.88 -4.40 1.42 5.03 0.88 -4.84 115.26 115.85 3h2f n ASN 180 Ca 0.00 -2.62 -0.34 0.00 0.87 0.00 0.00 54.58 52.49 3h2f n ASN 180 Cb 0.15 -0.59 -0.13 0.00 -1.02 0.00 0.00 39.78 38.19 3h2f n ASN 180 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3h2f s ILE 181 N -2.17 3.46 -0.00 2.41 1.01 -1.01 -0.29 121.20 124.61 3h2f s ILE 181 Ca 0.50 -0.50 0.07 0.00 0.00 0.00 0.00 60.65 60.73 3h2f s ILE 181 Cb 0.35 -2.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 3h2f s ILE 181 CO 0.20 0.48 -0.23 -0.63 0.00 0.00 0.00 174.94 174.76 3h2f s ILE 182 N 0.73 1.83 0.34 2.92 1.01 -0.94 -4.26 121.20 122.82 3h2f s ILE 182 Ca -0.03 -1.06 0.08 0.00 0.00 0.00 0.00 60.65 59.63 3h2f s ILE 182 Cb -0.15 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 3h2f s ILE 182 CO 0.02 0.45 0.20 -0.76 0.00 0.00 0.00 174.94 174.84 3h2f s LEU 183 N -0.72 3.37 -0.21 2.97 1.43 -0.03 -0.54 118.68 124.95 3h2f s LEU 183 Ca 0.09 -0.69 -0.11 0.00 -1.03 0.00 0.00 54.13 52.39 3h2f s LEU 183 Cb -0.09 -1.89 0.07 0.00 0.03 0.00 0.00 46.19 44.31 3h2f s LEU 183 CO -0.00 -0.33 0.50 -0.62 0.23 0.00 0.00 176.35 176.13 3h2f s ASP 184 N -3.90 -0.64 0.00 2.29 3.68 -1.04 -0.30 116.67 116.76 3h2f s ASP 184 Ca 0.39 1.11 0.17 0.00 2.13 0.00 0.00 52.55 56.34 3h2f s ASP 184 Cb -0.03 1.05 0.99 0.00 -1.45 0.00 0.00 42.92 43.48 3h2f s ASP 184 CO 0.24 -0.21 1.41 -0.81 0.13 0.00 0.00 175.17 175.93 3h2f n PRO 185 N 4.41 0.59 -3.53 4.34 -0.04 -1.26 -0.71 135.00 138.80 3h2f n PRO 185 Ca -0.21 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.06 3h2f n PRO 185 Cb 0.56 -1.44 0.07 0.00 -0.04 0.00 0.00 33.50 32.65 3h2f n PRO 185 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h2f n GLY 186 N 0.17 -0.36 3.70 0.55 0.00 -1.26 -4.51 105.19 103.48 3h2f n GLY 186 Ca 0.12 0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 3h2f n GLY 186 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3h2f n ILE 187 N -4.25 0.14 -0.52 -0.61 2.08 -1.26 -1.70 119.36 113.24 3h2f n ILE 187 Ca -0.26 -0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.02 3h2f n ILE 187 Cb 0.66 -1.94 0.00 0.00 -0.75 0.00 0.00 39.64 37.61 3h2f n ILE 187 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3h2f n GLY 188 N 3.97 0.74 3.06 7.39 0.00 -1.26 -4.90 105.19 114.19 3h2f n GLY 188 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3h2f n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h2f s PHE 189 N -2.26 2.27 -1.53 1.61 0.40 -0.69 -4.75 117.98 113.03 3h2f s PHE 189 Ca 0.00 -1.22 -0.02 0.00 -0.60 0.00 0.00 56.93 55.09 3h2f s PHE 189 Cb 0.00 -1.63 0.01 0.00 0.51 0.00 0.00 43.02 41.91 3h2f s PHE 189 CO 0.00 -0.63 0.17 0.00 0.70 0.00 0.00 175.22 175.46 3h2f n ALA 190 N 4.51 -0.77 -3.00 5.36 0.00 -1.26 -4.76 120.51 120.59 3h2f n ALA 190 Ca -0.18 0.17 -0.12 0.00 0.00 0.00 0.00 53.44 53.31 3h2f n ALA 190 Cb 0.51 -2.46 -0.13 0.00 0.00 0.00 0.00 19.45 17.37 3h2f n ALA 190 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3h2f s LYS 191 N -5.26 0.16 0.83 0.00 1.02 -1.26 -4.56 119.74 110.67 3h2f s LYS 191 Ca 0.10 0.11 -0.12 0.00 0.02 0.00 0.00 55.97 56.08 3h2f s LYS 191 Cb -0.04 0.08 0.09 0.00 -0.52 0.00 0.00 37.83 37.43 3h2f s LYS 191 CO 0.12 -0.02 1.12 0.95 -0.92 0.00 0.00 175.35 176.60 3h2f s THR 192 N -0.07 2.58 0.44 2.17 -4.23 -1.26 -4.77 115.64 110.50 3h2f s THR 192 Ca -0.01 0.19 0.14 0.00 -1.18 0.00 0.00 61.69 60.82 3h2f s THR 192 Cb -0.01 -3.00 0.33 0.00 1.34 0.00 0.00 72.50 71.16 3h2f s THR 192 CO 0.00 -0.25 1.98 -0.65 -0.54 0.00 0.00 174.62 175.17 3h2f h PRO 193 N -1.19 0.39 -0.22 3.99 0.11 -1.98 -1.89 132.00 131.22 3h2f h PRO 193 Ca -0.48 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.45 3h2f h PRO 193 Cb 1.30 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3h2f h PRO 193 CO 0.62 0.26 -0.49 0.93 -0.21 0.00 0.00 178.00 179.11 3h2f h GLU 194 N 0.41 0.59 -0.45 1.05 4.39 -1.98 -2.62 114.58 115.97 3h2f h GLU 194 Ca 0.27 -0.35 -0.08 0.00 0.34 0.00 0.00 59.36 59.55 3h2f h GLU 194 Cb 0.53 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 3h2f h GLU 194 CO -0.07 0.95 -0.04 1.96 -1.16 0.00 0.00 179.01 180.65 3h2f h GLN 195 N 0.47 0.76 -0.86 2.33 4.20 -1.75 -1.84 115.11 118.42 3h2f h GLN 195 Ca 0.02 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.49 3h2f h GLN 195 Cb 1.03 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.68 3h2f h GLN 195 CO 0.10 0.80 0.44 -0.91 -0.67 0.00 0.00 178.83 178.58 3h2f h ASN 196 N 0.71 1.10 -0.34 1.46 2.35 -1.31 0.75 115.58 120.30 3h2f h ASN 196 Ca 0.13 -0.12 -0.08 0.00 -0.55 0.00 0.00 56.30 55.68 3h2f h ASN 196 Cb 0.49 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 3h2f h ASN 196 CO 0.02 0.91 -0.05 -0.07 -1.65 0.00 0.00 177.43 176.60 3h2f h LEU 197 N 1.21 0.72 -0.19 1.61 3.38 -1.27 -2.08 115.31 118.69 3h2f h LEU 197 Ca 0.30 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 3h2f h LEU 197 Cb 0.08 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3h2f h LEU 197 CO -0.04 0.82 -0.35 -0.08 0.09 0.00 0.00 178.44 178.89 3h2f h GLU 198 N 0.69 0.57 -0.47 1.13 4.81 -0.96 -1.56 114.58 118.79 3h2f h GLU 198 Ca 0.13 -0.36 0.04 0.00 -0.13 0.00 0.00 59.36 59.04 3h2f h GLU 198 Cb 0.50 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 3h2f h GLU 198 CO 0.03 0.97 0.23 0.00 -0.73 0.00 0.00 179.01 179.51 3h2f h ALA 199 N 0.60 0.59 -0.24 2.92 0.00 -0.86 -2.47 119.26 119.80 3h2f h ALA 199 Ca 0.01 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3h2f h ALA 199 Cb 0.94 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3h2f h ALA 199 CO 0.08 -0.12 0.02 0.52 0.00 0.00 0.00 179.25 179.75 3h2f h MET 200 N 0.46 0.10 -0.11 0.00 2.86 -1.35 -0.72 114.93 116.18 3h2f h MET 200 Ca 0.20 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.87 3h2f h MET 200 Cb 0.12 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.75 3h2f h MET 200 CO -0.15 0.07 0.16 -0.09 1.06 0.00 0.00 176.91 177.96 3h2f h ARG 201 N 0.11 0.00 0.00 1.72 2.43 -1.15 -3.20 114.38 114.29 3h2f h ARG 201 Ca 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3h2f h ARG 201 Cb 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3h2f h ARG 201 CO -0.17 0.00 -0.05 0.09 -1.51 0.00 0.00 179.97 178.33 3h2f n ASN 202 N -3.62 1.76 -0.25 -3.80 3.02 -0.94 -4.80 115.26 106.62 3h2f n ASN 202 Ca -0.00 -2.36 0.19 0.00 -0.03 0.00 0.00 54.58 52.38 3h2f n ASN 202 Cb 0.26 -0.20 0.49 0.00 -0.61 0.00 0.00 39.78 39.73 3h2f n ASN 202 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3h2f h LEU 203 N 0.00 0.44 -2.43 3.41 3.38 -1.13 -1.97 115.31 117.00 3h2f h LEU 203 Ca 0.00 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3h2f h LEU 203 Cb 0.84 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 3h2f h LEU 203 CO 0.00 0.17 0.16 1.05 0.09 0.00 0.00 178.44 179.91 3h2f h GLU 204 N 0.44 0.00 0.00 1.13 9.09 -1.87 -1.75 114.58 121.62 3h2f h GLU 204 Ca 0.48 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.87 3h2f h GLU 204 Cb 1.15 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.24 3h2f h GLU 204 CO -0.19 0.00 -0.09 1.96 0.05 0.00 0.00 179.01 180.74 3h2f h GLN 205 N 0.00 0.00 0.00 1.06 4.20 -1.71 -2.29 115.11 116.37 3h2f h GLN 205 Ca 0.03 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 3h2f h GLN 205 Cb 0.34 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 3h2f h GLN 205 CO -0.00 0.09 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.04 3h2f h LEU 206 N 0.00 0.00 -2.17 1.46 3.38 -1.53 -2.58 115.31 113.87 3h2f h LEU 206 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3h2f h LEU 206 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3h2f h LEU 206 CO 0.01 0.14 -0.06 0.78 0.09 0.00 0.00 178.44 179.40 3h2f h ASN 207 N 0.00 0.00 0.20 -0.43 2.35 -1.59 -2.20 115.58 113.91 3h2f h ASN 207 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3h2f h ASN 207 Cb 0.47 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.84 3h2f h ASN 207 CO 0.02 0.06 -0.05 -0.37 -1.65 0.00 0.00 177.43 175.44 3h2f h VAL 208 N 0.00 0.42 0.00 2.81 -1.51 -1.64 -2.64 116.25 113.69 3h2f h VAL 208 Ca -0.00 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.23 3h2f h VAL 208 Cb 0.23 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.56 3h2f h VAL 208 CO 0.01 0.05 0.00 -0.07 -1.23 0.00 0.00 177.57 176.33 3h2f h LEU 209 N 0.00 0.00 0.00 4.19 3.38 -1.60 -3.46 115.31 117.81 3h2f h LEU 209 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h2f h LEU 209 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3h2f h LEU 209 CO 0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.15 3h2f n GLY 210 N -0.01 0.63 3.48 0.83 0.00 -1.00 -5.08 105.19 104.04 3h2f n GLY 210 Ca 0.01 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 3h2f n GLY 210 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h2f s TYR 211 N -2.00 2.39 0.50 1.61 1.51 -1.26 -5.12 117.35 114.98 3h2f s TYR 211 Ca 0.00 -0.32 -0.23 0.00 -1.01 0.00 0.00 57.07 55.52 3h2f s TYR 211 Cb 0.00 -1.13 -0.06 0.00 -0.11 0.00 0.00 41.96 40.66 3h2f s TYR 211 CO 0.00 0.57 1.31 -2.14 -1.11 0.00 0.00 175.55 174.18 3h2f s PRO 212 N -2.98 3.41 -0.11 -1.71 0.02 -1.26 -4.80 135.00 127.57 3h2f s PRO 212 Ca 0.25 2.13 0.01 0.00 0.02 0.00 0.00 61.00 63.41 3h2f s PRO 212 Cb -0.07 -2.37 -0.01 0.00 0.02 0.00 0.00 34.50 32.06 3h2f s PRO 212 CO 0.13 -0.94 -0.15 0.08 -0.33 0.00 0.00 177.00 175.78 3h2f s VAL 213 N -1.35 2.88 -0.13 3.83 1.01 -1.26 -0.85 120.40 124.53 3h2f s VAL 213 Ca 0.67 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 3h2f s VAL 213 Cb -0.38 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 3h2f s VAL 213 CO 0.45 0.54 0.10 -0.22 0.00 0.00 0.00 175.10 175.98 3h2f s LEU 214 N 0.13 4.12 -0.13 3.92 0.20 0.59 -1.30 118.68 126.20 3h2f s LEU 214 Ca -0.08 0.33 -0.01 0.00 0.69 0.00 0.00 54.13 55.06 3h2f s LEU 214 Cb -0.15 -2.00 -0.02 0.00 -0.43 0.00 0.00 46.19 43.59 3h2f s LEU 214 CO 0.05 0.35 -0.10 -0.22 -0.29 0.00 0.00 176.35 176.14 3h2f s LEU 215 N -0.68 2.88 -0.26 -0.68 2.96 -0.60 -4.18 118.68 118.12 3h2f s LEU 215 Ca 0.12 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 3h2f s LEU 215 Cb -0.12 -1.66 0.07 0.00 0.50 0.00 0.00 46.19 44.98 3h2f s LEU 215 CO 0.02 0.18 -0.04 -0.83 -1.32 0.00 0.00 176.35 174.37 3h2f s GLY 216 N 0.26 1.41 0.00 7.98 0.00 -1.26 -1.10 107.32 114.61 3h2f s GLY 216 Ca -0.07 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.06 3h2f s GLY 216 CO 0.05 0.92 0.09 -1.30 0.00 0.00 0.00 173.10 172.86 3h2f n THR 217 N 4.59 0.00 -1.60 0.90 -2.24 -1.26 -4.47 114.28 110.20 3h2f n THR 217 Ca -0.10 -0.27 -0.51 0.00 -2.27 0.00 0.00 64.05 60.90 3h2f n THR 217 Cb 0.43 1.15 -0.06 0.00 -2.10 0.00 0.00 70.33 69.76 3h2f n THR 217 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3h2f n SER 218 N -0.36 2.73 0.00 3.42 2.88 -1.26 -1.98 113.62 119.06 3h2f n SER 218 Ca 0.00 0.74 0.00 0.00 -1.33 0.00 0.00 58.87 58.28 3h2f n SER 218 Cb 0.04 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.21 3h2f n SER 218 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3h2f n ARG 219 N 7.08 -0.81 -1.45 -1.46 1.74 -1.26 -4.91 116.66 115.59 3h2f n ARG 219 Ca 0.31 0.20 -0.32 0.00 -0.77 0.00 0.00 57.85 57.27 3h2f n ARG 219 Cb 0.24 -3.93 0.08 0.00 -1.02 0.00 0.00 32.46 27.83 3h2f n ARG 219 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3h2f s LYS 220 N -0.93 2.42 0.55 5.56 1.02 -0.83 -4.86 119.74 122.66 3h2f s LYS 220 Ca 0.00 1.31 0.30 0.00 0.02 0.00 0.00 55.97 57.59 3h2f s LYS 220 Cb 0.00 -1.91 1.60 0.00 -0.52 0.00 0.00 37.83 37.01 3h2f s LYS 220 CO 0.00 -1.53 2.13 0.66 -0.92 0.00 0.00 175.35 175.68 3h2f h SER 221 N -0.64 0.00 -0.08 2.83 4.64 -1.93 -2.55 113.55 115.82 3h2f h SER 221 Ca -0.45 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3h2f h SER 221 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3h2f h SER 221 CO 0.52 0.08 0.05 2.19 -0.87 0.00 0.00 176.83 178.80 3h2f h PHE 222 N 0.00 0.12 -0.40 4.77 -5.15 -1.93 0.13 116.94 114.47 3h2f h PHE 222 Ca -0.00 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.65 3h2f h PHE 222 Cb 0.26 -0.04 -0.01 0.00 0.22 0.00 0.00 35.95 36.38 3h2f h PHE 222 CO 0.00 0.08 -0.21 0.82 -2.00 0.00 0.00 178.31 177.01 3h2f h ILE 223 N 0.13 1.28 -0.27 0.88 2.04 -1.82 -1.77 117.51 117.97 3h2f h ILE 223 Ca 0.03 -1.35 -0.07 0.00 1.00 0.00 0.00 64.86 64.47 3h2f h ILE 223 Cb 0.00 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 3h2f h ILE 223 CO -0.01 0.45 -0.13 1.23 0.00 0.00 0.00 178.15 179.70 3h2f h GLY 224 N 0.67 0.50 1.23 5.37 0.00 -1.34 -0.44 103.07 109.06 3h2f h GLY 224 Ca 0.09 -0.34 -0.13 0.00 0.00 0.00 0.00 47.33 46.95 3h2f h GLY 224 CO 0.06 0.32 -0.25 0.84 0.00 0.00 0.00 176.54 177.51 3h2f h HIS 225 N 0.43 1.00 -0.07 5.60 -0.00 -0.59 0.53 115.15 122.05 3h2f h HIS 225 Ca 0.08 -0.25 -0.09 0.00 -0.00 0.00 0.00 60.37 60.11 3h2f h HIS 225 Cb 0.49 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 27.67 3h2f h HIS 225 CO 0.01 1.02 -0.32 0.28 -0.00 0.00 0.00 177.93 178.93 3h2f h VAL 226 N 0.75 1.42 0.00 5.26 2.07 -1.05 -3.36 116.25 121.35 3h2f h VAL 226 Ca 0.10 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 65.90 3h2f h VAL 226 Cb 0.79 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 3h2f h VAL 226 CO 0.07 0.49 -0.74 0.18 0.02 0.00 0.00 177.57 177.59 3h2f n LEU 227 N -4.43 0.64 -3.62 2.57 4.77 -0.20 -4.97 117.00 111.76 3h2f n LEU 227 Ca -0.08 -0.08 -0.26 0.00 -0.03 0.00 0.00 56.01 55.56 3h2f n LEU 227 Cb 0.50 -0.16 0.04 0.00 -2.33 0.00 0.00 43.42 41.47 3h2f n LEU 227 CO 0.42 0.11 -0.06 -0.67 -1.33 0.00 0.00 177.39 175.86 3h2f n ASP 228 N -1.66 -4.42 -4.01 -1.43 2.03 0.18 -5.02 116.55 102.22 3h2f n ASP 228 Ca 0.04 -0.92 -0.16 0.00 0.52 0.00 0.00 54.79 54.27 3h2f n ASP 228 Cb 0.37 -3.85 -0.14 0.00 -0.72 0.00 0.00 41.12 36.78 3h2f n ASP 228 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3h2f s LEU 229 N -6.34 2.08 0.94 -2.67 1.43 -1.18 -5.06 118.68 107.89 3h2f s LEU 229 Ca 0.35 -0.25 -0.12 0.00 -1.03 0.00 0.00 54.13 53.08 3h2f s LEU 229 Cb -0.10 -0.32 0.15 0.00 0.03 0.00 0.00 46.19 45.95 3h2f s LEU 229 CO 0.83 0.01 1.11 -2.16 0.23 0.00 0.00 176.35 176.37 3h2f s PRO 230 N -0.58 0.93 0.50 1.29 0.04 -1.26 -4.35 135.00 131.57 3h2f s PRO 230 Ca -0.00 0.46 0.17 0.00 0.04 0.00 0.00 61.00 61.67 3h2f s PRO 230 Cb -0.05 -1.80 1.23 0.00 0.04 0.00 0.00 34.50 33.93 3h2f s PRO 230 CO 0.00 -2.38 2.08 -0.24 0.04 0.00 0.00 177.00 176.50 3h2f h VAL 231 N -1.64 0.93 0.00 -0.36 3.04 -1.98 -0.49 116.25 115.76 3h2f h VAL 231 Ca -0.52 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 3h2f h VAL 231 Cb 1.32 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.42 3h2f h VAL 231 CO 0.59 0.02 0.00 -1.84 -1.01 0.00 0.00 177.57 175.33 3h2f n GLU 232 N -4.48 0.29 -0.70 4.17 0.00 -1.26 -3.63 120.64 115.03 3h2f n GLU 232 Ca 0.02 0.01 0.03 0.00 0.00 0.00 0.00 57.16 57.22 3h2f n GLU 232 Cb 0.25 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 30.39 3h2f n GLU 232 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3h2f n GLU 233 N -1.35 1.71 -0.39 3.44 -0.58 -0.19 -4.75 120.64 118.52 3h2f n GLU 233 Ca 0.12 -3.32 0.08 0.00 -0.42 0.00 0.00 57.16 53.62 3h2f n GLU 233 Cb 0.27 -1.69 0.25 0.00 -0.57 0.00 0.00 31.44 29.70 3h2f n GLU 233 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3h2f n ARG 234 N -1.11 3.14 -0.00 3.49 1.74 -1.24 -4.74 116.66 117.95 3h2f n ARG 234 Ca 0.23 -2.56 -0.12 0.00 -0.77 0.00 0.00 57.85 54.63 3h2f n ARG 234 Cb 0.78 -1.64 -0.07 0.00 -1.02 0.00 0.00 32.46 30.50 3h2f n ARG 234 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3h2f h LEU 235 N 2.51 0.07 -0.56 0.55 5.85 -1.87 -0.18 115.31 121.67 3h2f h LEU 235 Ca 0.00 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 3h2f h LEU 235 Cb 1.18 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 3h2f h LEU 235 CO 0.14 0.25 0.27 -0.33 -0.34 0.00 0.00 178.44 178.43 3h2f h GLU 236 N -0.11 0.82 -0.50 1.25 3.07 -1.99 -0.68 114.58 116.44 3h2f h GLU 236 Ca 0.02 -0.12 -0.05 0.00 -0.50 0.00 0.00 59.36 58.70 3h2f h GLU 236 Cb 0.20 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 3h2f h GLU 236 CO -0.00 0.67 0.11 0.78 -1.40 0.00 0.00 179.01 179.17 3h2f h GLY 237 N 0.77 0.86 0.56 -3.84 0.00 -1.86 -1.55 103.07 98.01 3h2f h GLY 237 Ca 0.19 -0.55 0.07 0.00 0.00 0.00 0.00 47.33 47.05 3h2f h GLY 237 CO -0.02 0.51 0.32 -0.84 0.00 0.00 0.00 176.54 176.50 3h2f h THR 238 N 0.69 0.89 -0.67 4.70 2.02 -0.96 -2.47 112.91 117.10 3h2f h THR 238 Ca 0.15 -0.19 0.05 0.00 0.77 0.00 0.00 66.41 67.19 3h2f h THR 238 Cb 0.35 0.27 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 3h2f h THR 238 CO 0.00 0.10 0.39 1.23 0.37 0.00 0.00 175.52 177.62 3h2f h GLY 239 N 0.57 0.97 1.00 2.16 0.00 -0.65 -0.82 103.07 106.30 3h2f h GLY 239 Ca 0.30 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 3h2f h GLY 239 CO -0.23 0.20 0.40 0.00 0.00 0.00 0.00 176.54 176.91 3h2f h ALA 240 N 1.32 0.85 -0.65 3.60 0.00 -1.00 -1.50 119.26 121.88 3h2f h ALA 240 Ca 0.29 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3h2f h ALA 240 Cb 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3h2f h ALA 240 CO -0.15 0.32 0.07 1.79 0.00 0.00 0.00 179.25 181.28 3h2f h THR 241 N 0.91 1.26 -0.18 0.00 1.35 -0.94 -1.56 112.91 113.74 3h2f h THR 241 Ca 0.24 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 3h2f h THR 241 Cb -0.03 0.69 -0.01 0.00 -1.73 0.00 0.00 68.15 67.07 3h2f h THR 241 CO -0.04 0.40 0.12 0.58 -0.25 0.00 0.00 175.52 176.33 3h2f h VAL 242 N 1.02 1.04 -0.66 6.82 2.07 -1.01 0.06 116.25 125.59 3h2f h VAL 242 Ca 0.19 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 3h2f h VAL 242 Cb 0.49 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3h2f h VAL 242 CO 0.02 0.05 0.37 0.00 0.02 0.00 0.00 177.57 178.03 3h2f h LEU 244 N 0.90 0.76 -0.59 0.00 5.85 -1.22 -1.41 115.31 119.60 3h2f h LEU 244 Ca 0.23 -0.44 0.11 0.00 0.84 0.00 0.00 57.88 58.63 3h2f h LEU 244 Cb 0.02 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 40.75 3h2f h LEU 244 CO -0.04 1.04 0.08 1.23 -0.34 0.00 0.00 178.44 180.41 3h2f h GLY 245 N 0.48 0.71 1.23 3.75 0.00 -0.66 -0.99 103.07 107.59 3h2f h GLY 245 Ca 0.06 0.01 -0.16 0.00 0.00 0.00 0.00 47.33 47.24 3h2f h GLY 245 CO 0.06 -0.14 -0.42 -2.22 0.00 0.00 0.00 176.54 173.83 3h2f h ILE 246 N 0.21 1.28 -0.00 2.60 2.04 -1.06 -2.16 117.51 120.42 3h2f h ILE 246 Ca 0.31 -1.59 -0.04 0.00 1.00 0.00 0.00 64.86 64.53 3h2f h ILE 246 Cb 0.47 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 3h2f h ILE 246 CO -0.43 0.52 -0.18 -0.08 0.00 0.00 0.00 178.15 177.98 3h2f h GLU 247 N 0.68 0.00 -0.29 2.37 4.22 -0.87 -1.72 114.58 118.97 3h2f h GLU 247 Ca 0.05 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.49 3h2f h GLU 247 Cb 0.99 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3h2f h GLU 247 CO 0.10 0.19 0.00 1.63 -2.18 0.00 0.00 179.01 178.74 3h2f n LYS 248 N -4.32 1.73 -0.02 1.92 5.02 -0.41 -4.92 118.16 117.16 3h2f n LYS 248 Ca -0.02 -1.13 0.00 0.00 -2.02 0.00 0.00 58.31 55.14 3h2f n LYS 248 Cb 0.25 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3h2f n LYS 248 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h2f n GLY 249 N 1.02 0.90 3.76 0.72 0.00 -0.64 -4.22 105.19 106.73 3h2f n GLY 249 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3h2f n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2f h GLU 251 N 4.22 0.00 -4.18 0.00 3.07 -1.55 -3.43 114.58 112.70 3h2f h GLU 251 Ca -0.47 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.17 3h2f h GLU 251 Cb 1.22 0.00 -0.22 0.00 -0.84 0.00 0.00 28.75 28.91 3h2f h GLU 251 CO 0.71 0.25 -0.72 -0.06 -1.40 0.00 0.00 179.01 177.79 3h2f s PHE 252 N -3.07 0.39 -0.03 4.33 0.40 -1.02 -1.28 117.98 117.70 3h2f s PHE 252 Ca 0.01 -0.45 0.05 0.00 -0.60 0.00 0.00 56.93 55.94 3h2f s PHE 252 Cb 0.08 -0.25 -0.01 0.00 0.51 0.00 0.00 43.02 43.35 3h2f s PHE 252 CO 0.77 -0.13 -0.17 0.14 0.70 0.00 0.00 175.22 176.53 3h2f s VAL 253 N -1.23 1.42 -0.36 -0.44 -7.23 -0.50 -1.56 120.40 110.50 3h2f s VAL 253 Ca -0.11 -0.74 -0.13 0.00 -1.81 0.00 0.00 61.98 59.19 3h2f s VAL 253 Cb -0.09 -1.21 -0.00 0.00 0.56 0.00 0.00 36.38 35.65 3h2f s VAL 253 CO -0.00 0.41 0.25 -0.60 -0.31 0.00 0.00 175.10 174.84 3h2f s ARG 254 N -0.16 3.26 0.05 4.82 3.52 -0.26 -0.32 118.95 129.86 3h2f s ARG 254 Ca 0.01 -0.81 0.01 0.00 -0.13 0.00 0.00 55.73 54.81 3h2f s ARG 254 Cb -0.10 -3.84 -0.03 0.00 -1.56 0.00 0.00 34.95 29.42 3h2f s ARG 254 CO 0.01 -0.56 -0.05 0.14 -0.81 0.00 0.00 175.30 174.02 3h2f s VAL 255 N 1.69 0.41 -0.10 7.11 -7.23 -0.14 -4.14 120.40 118.00 3h2f s VAL 255 Ca 0.05 -1.38 -0.11 0.00 -1.81 0.00 0.00 61.98 58.73 3h2f s VAL 255 Cb -0.18 -0.96 -0.27 0.00 0.56 0.00 0.00 36.38 35.53 3h2f s VAL 255 CO 0.10 -0.65 0.49 0.45 -0.31 0.00 0.00 175.10 175.19 3h2f h HIS 256 N 3.91 0.52 -2.25 2.82 3.86 -1.90 -2.29 115.15 119.83 3h2f h HIS 256 Ca -0.34 -0.38 -0.75 0.00 -1.16 0.00 0.00 60.37 57.73 3h2f h HIS 256 Cb 1.18 -0.02 -0.19 0.00 1.06 0.00 0.00 27.41 29.44 3h2f h HIS 256 CO 0.61 1.68 1.34 -0.25 0.86 0.00 0.00 177.93 182.17 3h2f n ASP 257 N -3.68 5.30 -0.06 2.45 9.92 -1.26 -4.79 116.55 124.42 3h2f n ASP 257 Ca -0.28 -3.03 -0.11 0.00 -0.53 0.00 0.00 54.79 50.84 3h2f n ASP 257 Cb 1.00 -1.51 -0.04 0.00 -0.64 0.00 0.00 41.12 39.92 3h2f n ASP 257 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3h2f h VAL 258 N 4.27 1.17 0.01 2.53 2.07 -1.93 -1.74 116.25 122.63 3h2f h VAL 258 Ca 0.31 -0.53 0.03 0.00 0.82 0.00 0.00 66.70 67.33 3h2f h VAL 258 Cb 0.81 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 3h2f h VAL 258 CO 1.29 0.17 -0.29 0.50 0.02 0.00 0.00 177.57 179.27 3h2f h LYS 259 N 0.18 -0.42 -0.45 1.57 3.64 -1.89 0.34 116.57 119.54 3h2f h LYS 259 Ca 0.07 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 3h2f h LYS 259 Cb 0.19 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3h2f h LYS 259 CO -0.00 -0.28 0.10 0.93 -2.27 0.00 0.00 179.45 177.92 3h2f h GLU 260 N -0.44 0.73 0.00 1.90 3.07 -1.89 -2.94 114.58 115.01 3h2f h GLU 260 Ca 0.06 -0.18 -0.14 0.00 -0.50 0.00 0.00 59.36 58.60 3h2f h GLU 260 Cb 0.52 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 3h2f h GLU 260 CO -0.24 0.74 -0.67 0.52 -1.40 0.00 0.00 179.01 177.95 3h2f h MET 261 N 0.60 0.00 -0.55 2.33 2.86 -1.16 -1.89 114.93 117.12 3h2f h MET 261 Ca 0.14 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.73 3h2f h MET 261 Cb 0.34 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 3h2f h MET 261 CO 0.00 0.67 0.15 0.77 1.06 0.00 0.00 176.91 179.56 3h2f h SER 262 N 0.00 0.82 -0.45 1.22 0.02 -0.91 0.14 113.55 114.39 3h2f h SER 262 Ca -0.01 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.69 3h2f h SER 262 Cb 1.22 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 3h2f h SER 262 CO 0.09 0.83 0.17 0.03 -1.14 0.00 0.00 176.83 176.81 3h2f h ARG 263 N 0.78 0.69 -0.43 3.45 3.08 -1.33 -2.11 114.38 118.49 3h2f h ARG 263 Ca 0.17 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3h2f h ARG 263 Cb 0.32 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 3h2f h ARG 263 CO -0.00 0.64 0.20 0.52 -1.07 0.00 0.00 179.97 180.26 3h2f h MET 264 N 0.59 0.63 -0.63 0.04 2.86 -1.24 -2.27 114.93 114.91 3h2f h MET 264 Ca 0.15 -0.10 0.04 0.00 -2.06 0.00 0.00 59.70 57.73 3h2f h MET 264 Cb 0.22 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.73 3h2f h MET 264 CO -0.01 0.56 0.37 0.00 1.06 0.00 0.00 176.91 178.89 3h2f h ALA 265 N 1.04 0.83 -0.47 6.32 0.00 -0.72 -1.19 119.26 125.07 3h2f h ALA 265 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3h2f h ALA 265 Cb 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3h2f h ALA 265 CO -0.02 0.08 0.20 -0.22 0.00 0.00 0.00 179.25 179.29 3h2f h LYS 266 N 0.71 0.69 -0.26 0.00 3.64 -1.34 0.67 116.57 120.67 3h2f h LYS 266 Ca 0.27 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 3h2f h LYS 266 Cb 0.10 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3h2f h LYS 266 CO -0.14 0.61 0.13 1.98 -2.27 0.00 0.00 179.45 179.76 3h2f h MET 267 N 0.61 0.38 -0.09 1.90 4.05 -1.29 -2.44 114.93 118.06 3h2f h MET 267 Ca 0.16 -0.05 0.02 0.00 -0.28 0.00 0.00 59.70 59.55 3h2f h MET 267 Cb 0.17 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 30.88 3h2f h MET 267 CO -0.02 0.36 -0.06 0.52 0.23 0.00 0.00 176.91 177.94 3h2f h MET 268 N 0.29 -0.07 -0.67 0.39 2.86 -0.93 -2.19 114.93 114.62 3h2f h MET 268 Ca 0.09 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.88 3h2f h MET 268 Cb 0.11 0.02 -0.11 0.00 0.06 0.00 0.00 31.60 31.68 3h2f h MET 268 CO -0.01 -0.05 0.05 -0.44 1.06 0.00 0.00 176.91 177.53 3h2f h ASP 269 N -0.07 -0.20 -0.44 1.22 3.45 -0.82 -0.56 116.42 119.00 3h2f h ASP 269 Ca 0.06 0.16 -0.05 0.00 0.43 0.00 0.00 57.03 57.62 3h2f h ASP 269 Cb 0.15 0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 39.16 3h2f h ASP 269 CO -0.13 -0.10 0.09 0.00 -1.57 0.00 0.00 179.24 177.53 3h2f h ALA 270 N 1.59 1.21 -0.04 3.45 0.00 -1.11 0.12 119.26 124.49 3h2f h ALA 270 Ca 0.36 -0.21 -0.21 0.00 0.00 0.00 0.00 54.91 54.84 3h2f h ALA 270 Cb 0.60 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3h2f h ALA 270 CO -0.54 0.54 -0.87 0.52 0.00 0.00 0.00 179.25 178.90 3h2f h MET 271 N 0.76 0.45 -0.00 0.00 2.86 -0.57 -3.19 114.93 115.24 3h2f h MET 271 Ca 0.16 -0.44 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 3h2f h MET 271 Cb 0.33 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.10 3h2f h MET 271 CO 0.00 1.09 -0.33 0.44 1.06 0.00 0.00 176.91 179.17 3h2f n ILE 272 N -3.79 0.00 -1.35 -1.22 -5.35 -0.35 -4.94 119.36 102.36 3h2f n ILE 272 Ca -0.06 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 3h2f n ILE 272 Cb 0.79 0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.77 3h2f n ILE 272 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h2f n GLY 273 N 1.46 0.91 0.79 3.28 0.00 -0.61 -5.08 105.19 105.93 3h2f n GLY 273 Ca 0.07 -0.60 0.10 0.00 0.00 0.00 0.00 46.02 45.60 3h2f n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49