#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jwe s PRO 17 N 0.00 3.36 0.08 4.33 0.04 -1.26 -4.96 135.00 136.59 3jwe s PRO 17 Ca 0.00 1.75 -0.31 0.00 0.04 0.00 0.00 61.00 62.48 3jwe s PRO 17 Cb 0.00 -2.12 -0.08 0.00 0.04 0.00 0.00 34.50 32.34 3jwe s PRO 17 CO 0.00 -0.87 1.53 1.03 0.04 0.00 0.00 177.00 178.72 3jwe s ARG 18 N -3.10 4.24 0.15 4.56 1.81 -1.26 -4.95 118.95 120.40 3jwe s ARG 18 Ca 0.71 2.20 0.09 0.00 -1.72 0.00 0.00 55.73 57.01 3jwe s ARG 18 Cb -0.28 -3.44 -0.04 0.00 -0.45 0.00 0.00 34.95 30.74 3jwe s ARG 18 CO 0.32 -0.62 -0.13 1.03 -0.68 0.00 0.00 175.30 175.22 3jwe s ARG 19 N 2.00 1.95 0.80 3.54 0.52 -1.26 -0.89 118.95 125.61 3jwe s ARG 19 Ca 0.69 -1.21 -0.11 0.00 -0.52 0.00 0.00 55.73 54.58 3jwe s ARG 19 Cb -0.38 -2.15 0.07 0.00 0.52 0.00 0.00 34.95 33.01 3jwe s ARG 19 CO 0.30 0.46 1.09 0.95 0.02 0.00 0.00 175.30 178.13 3jwe s THR 20 N -1.43 3.15 -1.10 0.02 -4.23 -0.11 -4.84 115.64 107.10 3jwe s THR 20 Ca 0.22 0.37 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 3jwe s THR 20 Cb -0.10 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.89 3jwe s THR 20 CO 0.13 -0.49 0.82 -2.65 -0.54 0.00 0.00 174.62 171.89 3jwe n PRO 21 N -3.62 0.00 -0.94 3.99 -0.02 -1.26 -0.41 135.00 132.74 3jwe n PRO 21 Ca 0.09 0.34 -0.10 0.00 -2.02 0.00 0.00 63.50 61.80 3jwe n PRO 21 Cb 0.53 -1.54 0.19 0.00 -0.02 0.00 0.00 33.50 32.66 3jwe n PRO 21 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3jwe n GLN 22 N -1.32 1.95 -1.50 -0.52 3.00 -1.26 -4.97 117.38 112.75 3jwe n GLN 22 Ca 0.00 -3.15 -0.15 0.00 -0.01 0.00 0.00 57.00 53.69 3jwe n GLN 22 Cb 0.04 -1.92 -0.06 0.00 0.00 0.00 0.00 30.24 28.30 3jwe n GLN 22 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 3jwe n SER 23 N -1.13 -3.93 -4.64 1.08 7.64 0.45 -4.97 113.62 108.12 3jwe n SER 23 Ca 0.41 0.35 -0.39 0.00 1.01 0.00 0.00 58.87 60.25 3jwe n SER 23 Cb 1.22 -3.59 -0.07 0.00 -1.01 0.00 0.00 64.21 60.76 3jwe n SER 23 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3jwe s ILE 24 N -2.29 5.11 0.21 0.44 1.01 -1.26 -4.76 121.20 119.67 3jwe s ILE 24 Ca 0.00 0.86 -0.32 0.00 0.00 0.00 0.00 60.65 61.19 3jwe s ILE 24 Cb 0.00 -3.81 -0.12 0.00 0.01 0.00 0.00 42.46 38.54 3jwe s ILE 24 CO 0.00 0.14 1.73 -2.84 0.00 0.00 0.00 174.94 173.97 3jwe s PRO 25 N 1.92 4.12 0.12 2.79 0.02 -1.26 -0.94 135.00 141.78 3jwe s PRO 25 Ca 0.21 2.62 0.10 0.00 0.02 0.00 0.00 61.00 63.95 3jwe s PRO 25 Cb -0.15 -3.07 0.51 0.00 0.02 0.00 0.00 34.50 31.81 3jwe s PRO 25 CO 0.09 -0.76 1.31 0.66 -0.33 0.00 0.00 177.00 177.98 3jwe n TYR 26 N 3.95 0.29 0.15 6.54 4.02 -0.07 -1.83 117.16 130.20 3jwe n TYR 26 Ca 0.16 0.14 0.03 0.00 -0.01 0.00 0.00 57.90 58.22 3jwe n TYR 26 Cb 0.35 -0.73 0.12 0.00 -0.02 0.00 0.00 39.34 39.06 3jwe n TYR 26 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 3jwe h GLN 27 N 0.00 0.00 -0.47 -0.72 3.07 -1.89 -3.05 115.11 112.05 3jwe h GLN 27 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3jwe h GLN 27 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.62 3jwe h GLN 27 CO 0.00 0.49 0.00 -0.25 0.09 0.00 0.00 178.83 179.16 3jwe n ASP 28 N -3.32 2.36 -4.00 0.06 8.00 -0.76 -4.92 116.55 113.97 3jwe n ASP 28 Ca 0.01 -2.09 -0.09 0.00 0.71 0.00 0.00 54.79 53.33 3jwe n ASP 28 Cb 0.67 -0.33 -0.10 0.00 -0.02 0.00 0.00 41.12 41.34 3jwe n ASP 28 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3jwe s LEU 29 N -1.09 2.17 0.11 0.64 1.43 -1.15 -5.05 118.68 115.74 3jwe s LEU 29 Ca 0.27 -0.66 -0.30 0.00 -1.03 0.00 0.00 54.13 52.40 3jwe s LEU 29 Cb 0.15 0.30 -0.06 0.00 0.03 0.00 0.00 46.19 46.61 3jwe s LEU 29 CO 0.16 -0.46 1.18 -2.84 0.23 0.00 0.00 176.35 174.62 3jwe s PRO 30 N -2.60 4.47 0.29 1.29 0.02 -1.26 -4.92 135.00 132.29 3jwe s PRO 30 Ca -0.05 1.78 -0.15 0.00 0.02 0.00 0.00 61.00 62.60 3jwe s PRO 30 Cb -0.01 -3.31 0.01 0.00 0.02 0.00 0.00 34.50 31.20 3jwe s PRO 30 CO -0.05 -0.16 0.59 -3.38 -0.33 0.00 0.00 177.00 173.67 3jwe s HIS 31 N 0.61 0.24 0.04 6.54 -3.43 -1.26 -1.00 115.29 117.03 3jwe s HIS 31 Ca 0.56 -0.66 -0.04 0.00 -0.80 0.00 0.00 55.06 54.12 3jwe s HIS 31 Cb -0.30 0.41 -0.02 0.00 -1.43 0.00 0.00 32.58 31.24 3jwe s HIS 31 CO 0.32 -1.16 0.05 -0.48 -2.00 0.00 0.00 174.74 171.46 3jwe s LEU 32 N -3.02 1.99 -0.26 5.38 0.05 -0.73 -4.87 118.68 117.23 3jwe s LEU 32 Ca 0.19 -0.60 -0.05 0.00 0.05 0.00 0.00 54.13 53.73 3jwe s LEU 32 Cb -0.03 0.44 0.00 0.00 -2.05 0.00 0.00 46.19 44.56 3jwe s LEU 32 CO 0.10 -0.48 0.01 -0.69 -0.55 0.00 0.00 176.35 174.73 3jwe s VAL 33 N -2.58 3.53 0.92 1.48 1.01 -1.26 -0.48 120.40 123.02 3jwe s VAL 33 Ca -0.05 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 3jwe s VAL 33 Cb -0.01 -2.74 0.14 0.00 0.00 0.00 0.00 36.38 33.77 3jwe s VAL 33 CO -0.05 0.24 1.12 0.54 0.00 0.00 0.00 175.10 176.95 3jwe s ASN 34 N 1.46 3.35 0.60 3.32 2.20 0.25 -4.88 114.94 121.24 3jwe s ASN 34 Ca 0.03 1.10 0.29 0.00 -0.94 0.00 0.00 52.86 53.34 3jwe s ASN 34 Cb -0.16 -1.73 1.57 0.00 -2.00 0.00 0.00 41.25 38.93 3jwe s ASN 34 CO -0.01 -2.67 1.97 0.00 -2.94 0.00 0.00 177.10 173.45 3jwe h ALA 35 N -1.57 1.91 -0.43 3.54 0.00 -1.96 0.17 119.26 120.92 3jwe h ALA 35 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3jwe h ALA 35 Cb 1.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3jwe h ALA 35 CO 0.60 -0.52 0.00 -0.25 0.00 0.00 0.00 179.25 179.08 3jwe n ASP 36 N -3.59 2.30 -0.63 0.00 8.00 -1.26 -4.93 116.55 116.44 3jwe n ASP 36 Ca 0.04 -2.00 -0.08 0.00 0.71 0.00 0.00 54.79 53.46 3jwe n ASP 36 Cb 0.51 -0.29 -0.04 0.00 -0.02 0.00 0.00 41.12 41.29 3jwe n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jwe n GLY 37 N 1.18 1.01 3.86 0.44 0.00 0.60 -5.03 105.19 107.26 3jwe n GLY 37 Ca 0.14 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 3jwe n GLY 37 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jwe s GLN 38 N -2.65 3.72 -0.08 1.61 -0.21 -1.25 -4.83 119.66 115.96 3jwe s GLN 38 Ca 0.00 0.14 -0.24 0.00 0.02 0.00 0.00 55.36 55.28 3jwe s GLN 38 Cb 0.00 -3.10 -0.03 0.00 1.00 0.00 0.00 33.01 30.87 3jwe s GLN 38 CO 0.00 0.65 0.74 0.71 -2.12 0.00 0.00 175.29 175.27 3jwe s TYR 39 N -1.24 3.55 -0.18 0.91 1.51 -1.26 -0.59 117.35 120.06 3jwe s TYR 39 Ca 0.27 1.27 -0.02 0.00 -1.01 0.00 0.00 57.07 57.57 3jwe s TYR 39 Cb -0.14 -2.86 -0.01 0.00 -0.11 0.00 0.00 41.96 38.83 3jwe s TYR 39 CO 0.14 0.02 -0.07 -0.51 -1.11 0.00 0.00 175.55 174.02 3jwe s LEU 40 N 1.06 2.89 0.10 -1.29 1.43 0.36 -1.52 118.68 121.72 3jwe s LEU 40 Ca 0.38 -0.32 -0.31 0.00 -1.03 0.00 0.00 54.13 52.86 3jwe s LEU 40 Cb -0.18 -1.70 -0.07 0.00 0.03 0.00 0.00 46.19 44.28 3jwe s LEU 40 CO 0.18 0.08 1.26 0.12 0.23 0.00 0.00 176.35 178.23 3jwe s PHE 41 N 0.86 3.37 0.14 0.29 5.36 -1.26 -1.77 117.98 124.96 3jwe s PHE 41 Ca -0.02 1.20 0.06 0.00 -0.96 0.00 0.00 56.93 57.20 3jwe s PHE 41 Cb -0.15 -3.51 -0.04 0.00 -0.34 0.00 0.00 43.02 38.98 3jwe s PHE 41 CO 0.01 -1.65 0.04 0.00 -1.46 0.00 0.00 175.22 172.16 3jwe s ARG 43 N -2.75 0.66 0.02 0.00 3.52 -0.56 -4.52 118.95 115.32 3jwe s ARG 43 Ca 0.28 -0.30 0.01 0.00 -0.13 0.00 0.00 55.73 55.59 3jwe s ARG 43 Cb -0.10 -0.64 -0.01 0.00 -1.56 0.00 0.00 34.95 32.63 3jwe s ARG 43 CO 0.20 0.17 -0.05 0.71 -0.81 0.00 0.00 175.30 175.52 3jwe s TYR 44 N -0.21 0.44 -0.46 5.12 2.02 -1.26 -1.35 117.35 121.65 3jwe s TYR 44 Ca 0.03 -0.30 0.06 0.00 -0.37 0.00 0.00 57.07 56.48 3jwe s TYR 44 Cb -0.03 -0.28 0.20 0.00 -0.40 0.00 0.00 41.96 41.45 3jwe s TYR 44 CO -0.00 -0.07 0.45 0.91 -1.57 0.00 0.00 175.55 175.27 3jwe n TRP 45 N 2.19 0.16 -2.89 2.71 8.01 0.06 -5.00 117.44 122.67 3jwe n TRP 45 Ca -0.18 -3.58 -0.41 0.00 -1.31 0.00 0.00 57.50 52.02 3jwe n TRP 45 Cb 0.57 -0.11 -0.04 0.00 -2.01 0.00 0.00 31.31 29.71 3jwe n TRP 45 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 3jwe s LYS 46 N -0.74 4.51 0.76 -0.99 1.02 -1.26 -2.62 119.74 120.41 3jwe s LYS 46 Ca 0.33 1.15 -0.12 0.00 0.02 0.00 0.00 55.97 57.35 3jwe s LYS 46 Cb 0.08 -3.43 0.05 0.00 -0.52 0.00 0.00 37.83 34.01 3jwe s LYS 46 CO -0.15 0.09 1.12 -1.25 -0.92 0.00 0.00 175.35 174.24 3jwe s PRO 47 N 0.62 2.43 0.22 -1.68 0.04 -1.26 -4.99 135.00 130.38 3jwe s PRO 47 Ca 0.43 0.38 0.01 0.00 0.04 0.00 0.00 61.00 61.86 3jwe s PRO 47 Cb -0.20 -1.98 0.21 0.00 0.04 0.00 0.00 34.50 32.57 3jwe s PRO 47 CO 0.23 -1.32 1.56 1.79 0.04 0.00 0.00 177.00 179.31 3jwe h THR 48 N -0.86 1.34 -0.62 1.26 1.35 -1.98 -3.46 112.91 109.94 3jwe h THR 48 Ca -0.46 -1.78 0.00 0.00 -0.55 0.00 0.00 66.41 63.62 3jwe h THR 48 Cb 1.28 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.50 3jwe h THR 48 CO 0.64 0.54 0.00 0.61 -0.25 0.00 0.00 175.52 177.06 3jwe n GLY 49 N 0.16 0.03 3.63 5.82 0.00 -1.26 -5.04 105.19 108.52 3jwe n GLY 49 Ca -0.02 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.04 3jwe n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jwe s THR 50 N 0.08 5.31 0.27 2.61 2.01 -1.26 -5.06 115.64 119.59 3jwe s THR 50 Ca 0.00 0.26 -0.30 0.00 0.31 0.00 0.00 61.69 61.96 3jwe s THR 50 Cb 0.00 -3.55 -0.10 0.00 0.01 0.00 0.00 72.50 68.85 3jwe s THR 50 CO 0.00 0.28 1.49 -2.16 -0.69 0.00 0.00 174.62 173.54 3jwe s PRO 51 N 1.45 4.22 0.10 4.92 0.04 -1.26 -4.94 135.00 139.52 3jwe s PRO 51 Ca 0.09 2.40 -0.05 0.00 0.04 0.00 0.00 61.00 63.48 3jwe s PRO 51 Cb -0.15 -3.08 -0.19 0.00 0.04 0.00 0.00 34.50 31.12 3jwe s PRO 51 CO 0.08 -0.49 1.21 0.87 0.04 0.00 0.00 177.00 178.71 3jwe h LYS 52 N 4.92 0.35 -3.01 4.56 1.57 -1.18 -3.49 116.57 120.30 3jwe h LYS 52 Ca -0.46 -0.48 0.05 0.00 -1.87 0.00 0.00 60.65 57.89 3jwe h LYS 52 Cb 1.22 0.16 -0.07 0.00 0.08 0.00 0.00 32.23 33.62 3jwe h LYS 52 CO 0.78 1.18 0.22 0.00 -0.57 0.00 0.00 179.45 181.06 3jwe s ALA 53 N -2.95 -1.29 0.01 3.86 0.00 -1.26 -4.44 121.76 115.70 3jwe s ALA 53 Ca -0.05 -0.14 0.03 0.00 0.00 0.00 0.00 51.96 51.79 3jwe s ALA 53 Cb 0.08 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 24.02 3jwe s ALA 53 CO 0.88 -0.98 -0.04 -0.51 0.00 0.00 0.00 175.76 175.11 3jwe s LEU 54 N -2.88 3.29 -0.04 0.00 1.43 -0.04 -1.62 118.68 118.82 3jwe s LEU 54 Ca 0.09 -0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.06 3jwe s LEU 54 Cb -0.05 -1.91 0.03 0.00 0.03 0.00 0.00 46.19 44.29 3jwe s LEU 54 CO 0.03 0.27 0.03 -0.51 0.23 0.00 0.00 176.35 176.39 3jwe s ILE 55 N -1.06 0.05 -0.08 -0.59 2.07 -0.70 -0.61 121.20 120.27 3jwe s ILE 55 Ca 0.19 0.25 -0.15 0.00 -1.41 0.00 0.00 60.65 59.52 3jwe s ILE 55 Cb -0.11 -0.22 -0.05 0.00 0.13 0.00 0.00 42.46 42.21 3jwe s ILE 55 CO 0.10 0.16 0.39 0.12 -1.91 0.00 0.00 174.94 173.80 3jwe s PHE 56 N 1.58 3.60 -0.28 3.50 5.36 -0.13 -1.93 117.98 129.67 3jwe s PHE 56 Ca -0.02 0.85 -0.09 0.00 -0.96 0.00 0.00 56.93 56.70 3jwe s PHE 56 Cb -0.13 -2.36 -0.02 0.00 -0.34 0.00 0.00 43.02 40.17 3jwe s PHE 56 CO -0.03 0.41 0.13 0.08 -1.46 0.00 0.00 175.22 174.35 3jwe s VAL 57 N -0.20 4.60 -0.39 3.12 1.01 -0.63 -0.36 120.40 127.55 3jwe s VAL 57 Ca 0.22 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 61.90 3jwe s VAL 57 Cb -0.15 -3.26 0.08 0.00 0.00 0.00 0.00 36.38 33.05 3jwe s VAL 57 CO 0.10 0.19 0.18 -0.55 0.00 0.00 0.00 175.10 175.02 3jwe s SER 58 N 1.64 5.36 0.80 3.32 0.15 0.18 -4.43 113.70 120.72 3jwe s SER 58 Ca 0.06 -1.58 -0.11 0.00 0.70 0.00 0.00 55.95 55.01 3jwe s SER 58 Cb -0.16 -1.88 0.07 0.00 -1.71 0.00 0.00 66.02 62.34 3jwe s SER 58 CO 0.06 -0.47 1.10 -1.38 1.20 0.00 0.00 173.24 173.75 3jwe s HIS 59 N 1.31 2.80 0.88 3.44 -3.43 -1.26 -2.10 115.29 116.93 3jwe s HIS 59 Ca 0.03 1.15 -0.12 0.00 -0.80 0.00 0.00 55.06 55.32 3jwe s HIS 59 Cb -0.22 -3.13 0.17 0.00 -1.43 0.00 0.00 32.58 27.97 3jwe s HIS 59 CO -0.00 -1.81 1.22 0.20 -2.00 0.00 0.00 174.74 172.35 3jwe s GLY 60 N -3.89 1.76 0.26 -1.38 0.00 -0.97 -2.34 107.32 100.77 3jwe s GLY 60 Ca 0.61 -1.29 -0.30 0.00 0.00 0.00 0.00 44.72 43.74 3jwe s GLY 60 CO 0.54 -0.60 1.44 0.00 0.00 0.00 0.00 173.10 174.49 3jwe s ALA 61 N -3.67 3.62 0.00 3.20 0.00 -1.26 -3.03 121.76 120.63 3jwe s ALA 61 Ca 0.71 1.35 0.00 0.00 0.00 0.00 0.00 51.96 54.01 3jwe s ALA 61 Cb -0.05 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.51 3jwe s ALA 61 CO 0.50 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.91 3jwe n GLY 62 N 2.04 2.73 0.00 0.00 0.00 -1.26 -5.00 105.19 103.70 3jwe n GLY 62 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3jwe n GLY 62 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3jwe n GLU 63 N -0.43 1.23 -3.66 1.61 0.28 -1.17 -1.47 120.64 117.03 3jwe n GLU 63 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.90 3jwe n GLU 63 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 3jwe n GLU 63 CO 0.00 0.00 0.00 -3.38 -0.16 0.00 0.00 177.13 173.59 3jwe s HIS 64 N 0.41 -0.28 0.44 -1.84 -3.43 -1.26 -4.13 115.29 105.20 3jwe s HIS 64 Ca 0.00 -0.04 0.19 0.00 -0.80 0.00 0.00 55.06 54.41 3jwe s HIS 64 Cb 0.00 0.52 1.14 0.00 -1.43 0.00 0.00 32.58 32.81 3jwe s HIS 64 CO 0.00 -0.97 1.89 0.66 -2.00 0.00 0.00 174.74 174.32 3jwe h SER 65 N 2.09 0.33 -0.50 7.38 4.64 -1.95 -2.68 113.55 122.86 3jwe h SER 65 Ca -0.28 0.03 0.14 0.00 -0.47 0.00 0.00 61.79 61.20 3jwe h SER 65 Cb 1.28 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 3jwe h SER 65 CO 0.34 0.14 0.35 1.23 -0.87 0.00 0.00 176.83 178.03 3jwe h GLY 66 N 0.34 0.06 1.96 -0.77 0.00 -1.98 -1.59 103.07 101.10 3jwe h GLY 66 Ca 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.73 3jwe h GLY 66 CO -0.13 0.01 0.00 0.54 0.00 0.00 0.00 176.54 176.96 3jwe n ARG 67 N -4.40 0.01 -0.60 4.80 1.74 -1.01 -2.78 116.66 114.43 3jwe n ARG 67 Ca 0.09 0.31 0.09 0.00 -0.77 0.00 0.00 57.85 57.56 3jwe n ARG 67 Cb 0.54 -1.50 0.34 0.00 -1.02 0.00 0.00 32.46 30.82 3jwe n ARG 67 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3jwe n TYR 68 N -1.48 1.42 0.09 -1.55 4.01 -0.60 -4.72 117.16 114.32 3jwe n TYR 68 Ca 0.03 -0.65 -0.14 0.00 -0.16 0.00 0.00 57.90 56.98 3jwe n TYR 68 Cb 0.12 -0.27 -0.07 0.00 -0.31 0.00 0.00 39.34 38.81 3jwe n TYR 68 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3jwe h GLU 69 N 3.66 -0.60 -0.49 -0.72 4.57 -1.71 0.35 114.58 119.64 3jwe h GLU 69 Ca 0.00 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 3jwe h GLU 69 Cb 1.46 0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 30.16 3jwe h GLU 69 CO 0.24 -0.40 0.27 0.93 -1.18 0.00 0.00 179.01 178.87 3jwe h GLU 70 N -0.63 0.68 -0.50 1.92 5.08 -1.89 -0.53 114.58 118.71 3jwe h GLU 70 Ca 0.03 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 3jwe h GLU 70 Cb 0.67 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 3jwe h GLU 70 CO -0.28 0.53 -0.09 1.25 -1.00 0.00 0.00 179.01 179.42 3jwe h LEU 71 N 0.65 0.91 -0.28 1.33 5.85 -1.87 -2.26 115.31 119.64 3jwe h LEU 71 Ca 0.17 -0.28 -0.20 0.00 0.84 0.00 0.00 57.88 58.41 3jwe h LEU 71 Cb 0.04 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.83 3jwe h LEU 71 CO -0.03 1.02 -0.75 0.00 -0.34 0.00 0.00 178.44 178.34 3jwe h ALA 72 N 1.06 0.45 0.00 1.25 0.00 -0.79 -2.35 119.26 118.88 3jwe h ALA 72 Ca 0.14 -0.60 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 3jwe h ALA 72 Cb 0.62 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3jwe h ALA 72 CO 0.04 0.72 -0.21 0.00 0.00 0.00 0.00 179.25 179.80 3jwe h ARG 73 N 0.42 0.00 0.14 0.00 3.08 -0.99 0.55 114.38 117.57 3jwe h ARG 73 Ca -0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3jwe h ARG 73 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.41 3jwe h ARG 73 CO 0.14 0.21 -0.06 1.98 -1.07 0.00 0.00 179.97 181.17 3jwe h MET 74 N 0.00 -0.17 -0.67 0.04 4.05 -1.25 -3.00 114.93 113.92 3jwe h MET 74 Ca -0.00 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.48 3jwe h MET 74 Cb 0.40 0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.20 3jwe h MET 74 CO 0.03 0.28 0.45 -0.07 0.23 0.00 0.00 176.91 177.82 3jwe h LEU 75 N -0.76 0.64 -0.89 3.39 3.38 -1.11 -1.26 115.31 118.70 3jwe h LEU 75 Ca -0.02 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3jwe h LEU 75 Cb 0.54 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 3jwe h LEU 75 CO 0.03 0.43 0.54 -0.03 0.09 0.00 0.00 178.44 179.50 3jwe h MET 76 N 0.74 1.21 0.00 1.13 4.05 -0.96 -2.21 114.93 118.89 3jwe h MET 76 Ca 0.28 -0.11 -0.01 0.00 -0.28 0.00 0.00 59.70 59.59 3jwe h MET 76 Cb 0.18 -0.25 -0.00 0.00 -0.80 0.00 0.00 31.60 30.72 3jwe h MET 76 CO -0.09 0.85 -0.03 0.78 0.23 0.00 0.00 176.91 178.65 3jwe h GLY 77 N 1.22 0.00 -1.47 1.39 0.00 -1.07 -0.97 103.07 102.17 3jwe h GLY 77 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3jwe h GLY 77 CO -0.06 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.52 3jwe n LEU 78 N -3.57 2.15 -1.94 3.11 4.77 -0.85 -4.90 117.00 115.77 3jwe n LEU 78 Ca -0.03 -1.08 -0.13 0.00 -0.03 0.00 0.00 56.01 54.74 3jwe n LEU 78 Cb 0.12 -0.31 0.03 0.00 -2.33 0.00 0.00 43.42 40.93 3jwe n LEU 78 CO 0.26 0.45 0.03 0.47 -1.33 0.00 0.00 177.39 177.27 3jwe n ASP 79 N 0.46 -4.27 -4.64 -1.43 8.00 -0.37 -4.87 116.55 109.44 3jwe n ASP 79 Ca 0.12 -0.20 -0.34 0.00 0.71 0.00 0.00 54.79 55.08 3jwe n ASP 79 Cb 0.38 -3.09 -0.10 0.00 -0.02 0.00 0.00 41.12 38.29 3jwe n ASP 79 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3jwe s LEU 80 N -4.19 3.37 -0.44 0.64 1.02 -1.12 -0.58 118.68 117.39 3jwe s LEU 80 Ca 0.21 0.02 -0.21 0.00 0.02 0.00 0.00 54.13 54.17 3jwe s LEU 80 Cb -0.09 -1.81 0.02 0.00 0.02 0.00 0.00 46.19 44.33 3jwe s LEU 80 CO 0.26 0.34 0.64 -0.22 0.02 0.00 0.00 176.35 177.39 3jwe s LEU 81 N -1.05 4.51 -0.11 1.79 0.20 -0.64 -3.97 118.68 119.40 3jwe s LEU 81 Ca 0.15 -0.34 -0.16 0.00 0.69 0.00 0.00 54.13 54.46 3jwe s LEU 81 Cb -0.11 -2.73 -0.05 0.00 -0.43 0.00 0.00 46.19 42.88 3jwe s LEU 81 CO 0.04 -0.78 0.40 -0.69 -0.29 0.00 0.00 176.35 175.03 3jwe s VAL 82 N 2.82 5.21 -0.00 1.68 1.01 -1.08 -1.73 120.40 128.31 3jwe s VAL 82 Ca 0.23 0.78 -0.02 0.00 0.00 0.00 0.00 61.98 62.97 3jwe s VAL 82 Cb -0.14 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 3jwe s VAL 82 CO 0.19 0.39 0.04 0.72 0.00 0.00 0.00 175.10 176.44 3jwe s PHE 83 N 0.28 0.08 0.30 5.22 -0.12 -0.82 -0.76 117.98 122.17 3jwe s PHE 83 Ca 0.22 -0.16 -0.09 0.00 -0.05 0.00 0.00 56.93 56.85 3jwe s PHE 83 Cb -0.15 -0.07 0.00 0.00 -0.63 0.00 0.00 43.02 42.17 3jwe s PHE 83 CO 0.08 -0.14 0.49 0.00 -0.05 0.00 0.00 175.22 175.61 3jwe s ALA 84 N -0.80 0.14 -0.02 1.99 0.00 -0.46 -1.60 121.76 121.01 3jwe s ALA 84 Ca -0.09 -1.14 -0.20 0.00 0.00 0.00 0.00 51.96 50.54 3jwe s ALA 84 Cb -0.05 1.07 0.04 0.00 0.00 0.00 0.00 23.12 24.18 3jwe s ALA 84 CO -0.00 -0.83 0.42 -3.38 0.00 0.00 0.00 175.76 171.97 3jwe s HIS 85 N -3.49 -0.32 -0.15 0.00 -3.43 -1.26 -1.49 115.29 105.15 3jwe s HIS 85 Ca 0.25 0.49 -0.29 0.00 -0.80 0.00 0.00 55.06 54.72 3jwe s HIS 85 Cb -0.01 0.20 -0.01 0.00 -1.43 0.00 0.00 32.58 31.33 3jwe s HIS 85 CO 0.14 -0.47 0.98 -0.51 -2.00 0.00 0.00 174.74 172.88 3jwe s ASP 86 N -1.38 7.16 0.88 7.38 1.01 -0.40 -4.67 116.67 126.64 3jwe s ASP 86 Ca -0.12 1.43 -0.12 0.00 0.71 0.00 0.00 52.55 54.45 3jwe s ASP 86 Cb -0.03 -2.53 0.10 0.00 1.01 0.00 0.00 42.92 41.47 3jwe s ASP 86 CO 0.05 -0.50 1.01 1.41 0.21 0.00 0.00 175.17 177.35 3jwe n HIS 87 N 5.39 0.51 -1.61 4.23 8.25 -1.26 -4.44 115.22 126.29 3jwe n HIS 87 Ca 0.09 0.37 -0.43 0.00 -0.26 0.00 0.00 57.72 57.49 3jwe n HIS 87 Cb 0.48 -1.99 -0.01 0.00 1.12 0.00 0.00 29.99 29.59 3jwe n HIS 87 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3jwe n VAL 88 N -3.78 2.10 -1.61 1.59 0.31 -1.26 -1.84 118.33 113.84 3jwe n VAL 88 Ca 0.11 -0.50 -0.15 0.00 -0.01 0.00 0.00 64.34 63.79 3jwe n VAL 88 Cb 0.52 -1.13 -0.06 0.00 -0.91 0.00 0.00 33.84 32.26 3jwe n VAL 88 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3jwe n GLY 89 N 1.14 1.22 3.09 2.92 0.00 -0.41 -4.77 105.19 108.39 3jwe n GLY 89 Ca 0.09 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 3jwe n GLY 89 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3jwe s HIS 90 N -2.61 0.75 0.00 1.61 4.02 -0.77 -1.36 115.29 116.93 3jwe s HIS 90 Ca 0.00 -0.55 0.00 0.00 1.02 0.00 0.00 55.06 55.53 3jwe s HIS 90 Cb 0.00 -0.44 0.00 0.00 -1.02 0.00 0.00 32.58 31.12 3jwe s HIS 90 CO 0.00 -0.08 0.00 0.41 1.02 0.00 0.00 174.74 176.09 3jwe n GLY 91 N 1.24 2.99 0.99 -2.22 0.00 -1.25 -1.75 105.19 105.19 3jwe n GLY 91 Ca -0.21 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.04 3jwe n GLY 91 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3jwe n GLN 92 N 14.00 2.30 -2.64 1.61 6.02 -1.26 -4.78 117.38 132.63 3jwe n GLN 92 Ca 0.00 -1.89 -0.25 0.00 -0.01 0.00 0.00 57.00 54.85 3jwe n GLN 92 Cb 0.00 -1.45 0.03 0.00 1.02 0.00 0.00 30.24 29.84 3jwe n GLN 92 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3jwe s SER 93 N -0.97 5.62 0.96 1.08 0.01 -0.72 -4.42 113.70 115.27 3jwe s SER 93 Ca 0.35 0.46 -0.15 0.00 1.31 0.00 0.00 55.95 57.92 3jwe s SER 93 Cb 0.19 -1.53 0.18 0.00 0.21 0.00 0.00 66.02 65.07 3jwe s SER 93 CO 0.23 -0.95 1.21 -1.61 0.41 0.00 0.00 173.24 172.52 3jwe s GLU 94 N -4.81 0.67 0.00 12.44 2.02 -0.57 -4.54 118.70 123.91 3jwe s GLU 94 Ca 0.52 -0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.45 3jwe s GLU 94 Cb -0.10 -1.82 0.00 0.00 0.10 0.00 0.00 34.13 32.31 3jwe s GLU 94 CO 0.42 -2.45 0.00 0.41 0.02 0.00 0.00 175.26 173.66 3jwe n GLY 95 N -2.75 2.31 3.72 -1.39 0.00 -1.26 -1.29 105.19 104.53 3jwe n GLY 95 Ca 0.11 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 3jwe n GLY 95 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3jwe s GLU 96 N -3.76 4.26 -0.15 1.61 2.12 -1.26 -4.24 118.70 117.28 3jwe s GLU 96 Ca 0.00 2.24 -0.40 0.00 0.36 0.00 0.00 54.97 57.17 3jwe s GLU 96 Cb 0.00 -3.20 -0.17 0.00 0.26 0.00 0.00 34.13 31.02 3jwe s GLU 96 CO 0.00 -0.54 1.52 0.54 -0.54 0.00 0.00 175.26 176.24 3jwe n ARG 97 N 3.99 0.89 -3.98 4.30 5.12 -1.26 -2.72 116.66 123.00 3jwe n ARG 97 Ca 0.13 0.32 -0.28 0.00 -1.93 0.00 0.00 57.85 56.09 3jwe n ARG 97 Cb 0.40 -1.95 -0.01 0.00 -1.16 0.00 0.00 32.46 29.74 3jwe n ARG 97 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 3jwe n MET 98 N 3.83 -3.77 -4.18 5.56 2.81 -0.47 -5.01 117.12 115.90 3jwe n MET 98 Ca 0.24 0.45 -0.16 0.00 -1.81 0.00 0.00 57.70 56.41 3jwe n MET 98 Cb 0.12 -4.87 -0.12 0.00 -0.71 0.00 0.00 33.22 27.64 3jwe n MET 98 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3jwe s VAL 99 N -3.68 0.77 -0.15 2.03 -7.23 -1.10 -4.59 120.40 106.44 3jwe s VAL 99 Ca 0.26 -0.96 -0.13 0.00 -1.81 0.00 0.00 61.98 59.35 3jwe s VAL 99 Cb -0.14 -0.75 0.04 0.00 0.56 0.00 0.00 36.38 36.09 3jwe s VAL 99 CO 0.88 -0.17 0.39 0.54 -0.31 0.00 0.00 175.10 176.43 3jwe s VAL 100 N -1.02 -0.00 0.26 1.32 0.11 -1.26 -4.62 120.40 115.19 3jwe s VAL 100 Ca -0.04 0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 58.98 3jwe s VAL 100 Cb -0.08 -0.55 0.22 0.00 -1.53 0.00 0.00 36.38 34.44 3jwe s VAL 100 CO 0.01 0.01 1.88 0.77 -3.33 0.00 0.00 175.10 174.44 3jwe h SER 101 N 5.81 1.04 -4.18 3.54 4.64 -2.01 -3.45 113.55 118.94 3jwe h SER 101 Ca -0.29 -0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 60.89 3jwe h SER 101 Cb 1.18 -0.26 -0.21 0.00 -0.31 0.00 0.00 62.40 62.80 3jwe h SER 101 CO 0.27 0.83 0.07 -0.62 -0.87 0.00 0.00 176.83 176.51 3jwe s ASP 102 N -6.30 -0.67 0.48 4.97 2.15 -1.26 -5.06 116.67 110.99 3jwe s ASP 102 Ca -0.12 1.19 0.25 0.00 0.43 0.00 0.00 52.55 54.30 3jwe s ASP 102 Cb 0.17 1.18 1.30 0.00 -0.30 0.00 0.00 42.92 45.27 3jwe s ASP 102 CO 0.82 -0.30 1.89 0.15 -0.17 0.00 0.00 175.17 177.55 3jwe h PHE 103 N 4.70 0.24 -0.30 -5.34 3.57 -1.86 -1.73 116.94 116.22 3jwe h PHE 103 Ca -0.28 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.31 3jwe h PHE 103 Cb 1.16 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 3jwe h PHE 103 CO 0.39 0.06 0.25 1.25 -2.23 0.00 0.00 178.31 178.03 3jwe h HIS 104 N 0.18 0.00 -0.81 0.41 2.76 -1.97 -2.58 115.15 113.14 3jwe h HIS 104 Ca 0.43 0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.78 3jwe h HIS 104 Cb 1.39 0.00 -0.11 0.00 1.55 0.00 0.00 27.41 30.24 3jwe h HIS 104 CO -0.00 0.00 0.29 0.28 -1.30 0.00 0.00 177.93 177.20 3jwe h VAL 105 N 0.00 0.53 -0.67 5.26 2.07 -1.74 -0.33 116.25 121.36 3jwe h VAL 105 Ca 0.14 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.58 3jwe h VAL 105 Cb 0.64 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 3jwe h VAL 105 CO -0.00 0.07 0.41 -0.26 0.02 0.00 0.00 177.57 177.80 3jwe h PHE 106 N 0.36 0.76 -0.13 1.57 0.04 -1.68 -1.32 116.94 116.53 3jwe h PHE 106 Ca 0.47 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 61.23 3jwe h PHE 106 Cb 0.83 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 38.73 3jwe h PHE 106 CO -0.20 0.41 -0.05 0.28 -0.60 0.00 0.00 178.31 178.16 3jwe h VAL 107 N 0.78 1.30 -0.53 -0.55 2.07 -1.28 -2.36 116.25 115.68 3jwe h VAL 107 Ca 0.28 -1.04 0.10 0.00 0.82 0.00 0.00 66.70 66.86 3jwe h VAL 107 Cb 0.07 1.72 -0.08 0.00 -1.52 0.00 0.00 31.29 31.48 3jwe h VAL 107 CO -0.13 0.30 0.07 -0.09 0.02 0.00 0.00 177.57 177.74 3jwe h ARG 108 N -0.06 0.19 -0.21 1.57 2.43 -0.92 -1.63 114.38 115.75 3jwe h ARG 108 Ca 0.03 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 3jwe h ARG 108 Cb 0.49 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3jwe h ARG 108 CO 0.02 0.13 -0.34 -0.44 -1.51 0.00 0.00 179.97 177.82 3jwe h ASP 109 N 0.20 0.46 -0.05 -3.80 3.32 -1.19 -2.18 116.42 113.17 3jwe h ASP 109 Ca 0.27 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3jwe h ASP 109 Cb 0.40 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 3jwe h ASP 109 CO -0.39 0.77 -0.00 0.58 -1.72 0.00 0.00 179.24 178.48 3jwe h VAL 110 N 0.38 1.25 -0.81 -1.35 2.07 -1.11 -2.42 116.25 114.25 3jwe h VAL 110 Ca 0.04 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 66.82 3jwe h VAL 110 Cb 0.78 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 32.18 3jwe h VAL 110 CO 0.06 0.21 0.52 -0.07 0.02 0.00 0.00 177.57 178.31 3jwe h LEU 111 N -0.21 0.84 -0.27 2.57 3.38 -1.23 0.17 115.31 120.57 3jwe h LEU 111 Ca 0.01 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3jwe h LEU 111 Cb 0.34 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3jwe h LEU 111 CO 0.00 0.57 0.11 -0.61 0.09 0.00 0.00 178.44 178.60 3jwe h GLN 112 N 0.99 0.23 -0.24 1.13 4.15 -1.39 -0.13 115.11 119.86 3jwe h GLN 112 Ca 0.33 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.71 3jwe h GLN 112 Cb 0.04 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 3jwe h GLN 112 CO -0.13 0.15 0.05 1.25 -1.93 0.00 0.00 178.83 178.23 3jwe h HIS 113 N 0.24 0.40 -0.29 3.99 2.76 -0.89 -2.12 115.15 119.24 3jwe h HIS 113 Ca 0.12 -0.05 0.04 0.00 -2.20 0.00 0.00 60.37 58.27 3jwe h HIS 113 Cb 0.07 -0.11 -0.04 0.00 1.55 0.00 0.00 27.41 28.88 3jwe h HIS 113 CO -0.12 0.49 0.08 0.28 -1.30 0.00 0.00 177.93 177.36 3jwe h VAL 114 N 0.20 0.89 -0.60 5.26 2.07 -0.87 -2.08 116.25 121.13 3jwe h VAL 114 Ca 0.07 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 3jwe h VAL 114 Cb 0.29 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3jwe h VAL 114 CO 0.00 0.04 0.27 0.44 0.02 0.00 0.00 177.57 178.34 3jwe h ASP 115 N 0.20 0.77 -0.06 0.57 3.32 -0.96 -0.45 116.42 119.80 3jwe h ASP 115 Ca 0.13 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 3jwe h ASP 115 Cb 0.12 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 3jwe h ASP 115 CO -0.16 0.67 0.02 0.28 -1.72 0.00 0.00 179.24 178.33 3jwe h SER 116 N 0.84 0.08 -0.31 6.45 0.02 -1.05 -2.68 113.55 116.91 3jwe h SER 116 Ca 0.21 -0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 3jwe h SER 116 Cb 0.12 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 3jwe h SER 116 CO -0.02 0.25 -0.04 0.24 -1.14 0.00 0.00 176.83 176.12 3jwe h MET 117 N -0.09 0.69 -0.29 3.45 2.86 -1.10 -2.88 114.93 117.56 3jwe h MET 117 Ca 0.02 -0.18 -0.07 0.00 -2.06 0.00 0.00 59.70 57.40 3jwe h MET 117 Cb 0.19 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 3jwe h MET 117 CO -0.00 0.73 -0.13 1.96 1.06 0.00 0.00 176.91 180.53 3jwe h GLN 118 N 0.64 0.50 -0.43 1.72 4.20 -1.03 -2.21 115.11 118.50 3jwe h GLN 118 Ca 0.12 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 3jwe h GLN 118 Cb 0.45 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 3jwe h GLN 118 CO 0.02 0.62 0.16 -0.22 -0.67 0.00 0.00 178.83 178.75 3jwe h LYS 119 N 0.46 0.65 0.00 1.46 3.11 -1.26 -2.36 116.57 118.63 3jwe h LYS 119 Ca 0.09 -0.12 -0.08 0.00 -2.81 0.00 0.00 60.65 57.73 3jwe h LYS 119 Cb 0.50 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.61 3jwe h LYS 119 CO 0.03 0.61 -0.36 -0.44 -2.81 0.00 0.00 179.45 176.48 3jwe h ASP 120 N 0.55 0.00 -2.12 4.20 3.32 -1.48 -3.35 116.42 117.55 3jwe h ASP 120 Ca 0.14 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.62 3jwe h ASP 120 Cb 0.21 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.35 3jwe h ASP 120 CO -0.01 0.36 -0.85 -1.22 -1.72 0.00 0.00 179.24 175.80 3jwe n TYR 121 N -3.43 1.92 -1.89 4.55 4.01 -0.85 -5.13 117.16 116.35 3jwe n TYR 121 Ca 0.00 -3.89 -0.35 0.00 -0.16 0.00 0.00 57.90 53.50 3jwe n TYR 121 Cb 0.53 -0.46 0.05 0.00 -0.31 0.00 0.00 39.34 39.15 3jwe n TYR 121 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3jwe s PRO 122 N -2.21 2.81 0.00 -0.72 0.04 -0.90 -3.42 135.00 130.60 3jwe s PRO 122 Ca 0.40 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.21 3jwe s PRO 122 Cb 0.20 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.83 3jwe s PRO 122 CO -0.07 -1.32 0.00 0.41 0.04 0.00 0.00 177.00 176.06 3jwe n GLY 123 N 0.39 2.57 3.76 0.56 0.00 -1.26 -5.01 105.19 106.20 3jwe n GLY 123 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3jwe n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jwe s LEU 124 N 0.00 4.56 0.42 0.99 1.43 -1.22 -5.03 118.68 119.84 3jwe s LEU 124 Ca 0.00 2.21 -0.24 0.00 -1.03 0.00 0.00 54.13 55.07 3jwe s LEU 124 Cb 0.00 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.52 3jwe s LEU 124 CO 0.00 -0.10 1.17 -2.84 0.23 0.00 0.00 176.35 174.81 3jwe s PRO 125 N -1.35 3.96 -0.13 1.29 0.02 -1.26 -4.81 135.00 132.71 3jwe s PRO 125 Ca 0.44 1.81 -0.00 0.00 0.02 0.00 0.00 61.00 63.27 3jwe s PRO 125 Cb -0.31 -2.58 -0.01 0.00 0.02 0.00 0.00 34.50 31.61 3jwe s PRO 125 CO 0.39 -0.39 -0.13 0.08 -0.33 0.00 0.00 177.00 176.63 3jwe s VAL 126 N -1.47 3.07 0.20 3.83 1.01 -1.26 -0.86 120.40 124.92 3jwe s VAL 126 Ca 0.59 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 62.00 3jwe s VAL 126 Cb -0.30 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 3jwe s VAL 126 CO 0.37 0.52 -0.02 -0.36 0.00 0.00 0.00 175.10 175.61 3jwe s PHE 127 N 0.37 2.76 -0.07 5.22 0.08 0.21 -1.27 117.98 125.28 3jwe s PHE 127 Ca -0.11 -0.18 0.04 0.00 0.12 0.00 0.00 56.93 56.81 3jwe s PHE 127 Cb -0.16 -1.30 -0.00 0.00 -0.57 0.00 0.00 43.02 40.99 3jwe s PHE 127 CO 0.05 0.55 -0.21 -0.51 -0.10 0.00 0.00 175.22 175.00 3jwe s LEU 128 N -3.16 1.97 -0.17 -0.37 1.43 -0.91 -0.96 118.68 116.52 3jwe s LEU 128 Ca 0.28 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 3jwe s LEU 128 Cb -0.08 -1.21 0.03 0.00 0.03 0.00 0.00 46.19 44.95 3jwe s LEU 128 CO 0.18 0.16 -0.12 -0.22 0.23 0.00 0.00 176.35 176.58 3jwe s LEU 129 N 0.21 1.88 0.01 1.79 0.20 0.51 -0.55 118.68 122.74 3jwe s LEU 129 Ca -0.11 -0.63 0.02 0.00 0.69 0.00 0.00 54.13 54.09 3jwe s LEU 129 Cb -0.15 -1.18 -0.01 0.00 -0.43 0.00 0.00 46.19 44.41 3jwe s LEU 129 CO 0.05 -0.09 -0.06 -0.83 -0.29 0.00 0.00 176.35 175.13 3jwe s GLY 130 N 1.46 0.35 -0.11 7.98 0.00 -0.49 0.52 107.32 117.03 3jwe s GLY 130 Ca 0.03 -0.41 0.01 0.00 0.00 0.00 0.00 44.72 44.35 3jwe s GLY 130 CO -0.10 -0.40 -0.13 -1.58 0.00 0.00 0.00 173.10 170.90 3jwe s HIS 131 N -0.53 1.84 0.00 1.90 5.04 -0.89 -1.42 115.29 121.22 3jwe s HIS 131 Ca -0.02 -0.90 0.00 0.00 -1.54 0.00 0.00 55.06 52.60 3jwe s HIS 131 Cb -0.05 -1.38 0.00 0.00 0.04 0.00 0.00 32.58 31.20 3jwe s HIS 131 CO 0.00 -0.51 0.00 0.45 -2.34 0.00 0.00 174.74 172.34 3jwe n SER 132 N 4.47 0.00 -0.32 9.88 2.88 -0.58 -2.13 113.62 127.83 3jwe n SER 132 Ca -0.17 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.45 3jwe n SER 132 Cb 0.51 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 64.21 3jwe n SER 132 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 3jwe h MET 133 N 0.00 0.71 0.00 -1.46 1.85 -1.87 0.87 114.93 115.03 3jwe h MET 133 Ca 0.00 -0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 59.04 3jwe h MET 133 Cb 0.00 -0.16 -0.00 0.00 0.43 0.00 0.00 31.60 31.87 3jwe h MET 133 CO 0.00 0.47 -0.02 0.78 -0.40 0.00 0.00 176.91 177.74 3jwe h GLY 134 N 0.73 0.00 0.58 1.39 0.00 -1.03 -1.03 103.07 103.72 3jwe h GLY 134 Ca 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.73 3jwe h GLY 134 CO -0.34 0.00 -0.32 -1.33 0.00 0.00 0.00 176.54 174.55 3jwe h GLY 135 N 0.32 0.29 0.99 4.60 0.00 0.66 -2.14 103.07 107.79 3jwe h GLY 135 Ca -0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 3jwe h GLY 135 CO 0.00 0.40 0.32 0.00 0.00 0.00 0.00 176.54 177.27 3jwe h ALA 136 N 0.33 0.68 -0.38 3.60 0.00 -0.97 -1.44 119.26 121.08 3jwe h ALA 136 Ca -0.03 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3jwe h ALA 136 Cb 1.02 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3jwe h ALA 136 CO 0.06 0.17 0.20 0.82 0.00 0.00 0.00 179.25 180.50 3jwe h ILE 137 N 0.72 1.00 -0.25 0.00 2.04 -1.29 -0.89 117.51 118.84 3jwe h ILE 137 Ca 0.19 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.92 3jwe h ILE 137 Cb -0.01 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 3jwe h ILE 137 CO -0.04 0.07 0.14 0.00 0.00 0.00 0.00 178.15 178.33 3jwe h ALA 138 N 1.19 0.30 0.14 1.87 0.00 -1.11 -0.70 119.26 120.96 3jwe h ALA 138 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3jwe h ALA 138 Cb 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3jwe h ALA 138 CO -0.10 -0.25 -0.12 0.82 0.00 0.00 0.00 179.25 179.60 3jwe h ILE 139 N 0.29 0.74 0.00 0.00 2.04 -0.96 -1.91 117.51 117.71 3jwe h ILE 139 Ca 0.10 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 3jwe h ILE 139 Cb 0.00 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3jwe h ILE 139 CO -0.05 0.00 -0.07 -0.07 0.00 0.00 0.00 178.15 177.96 3jwe h LEU 140 N -0.27 0.00 -0.00 1.44 3.38 -1.03 -2.14 115.31 116.68 3jwe h LEU 140 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3jwe h LEU 140 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3jwe h LEU 140 CO -0.02 0.07 -0.01 0.74 0.09 0.00 0.00 178.44 179.31 3jwe h THR 141 N 0.00 1.60 -0.47 0.22 2.02 -0.60 -2.85 112.91 112.84 3jwe h THR 141 Ca -0.00 -1.79 0.00 0.00 0.77 0.00 0.00 66.41 65.39 3jwe h THR 141 Cb 0.26 2.82 -0.02 0.00 -1.74 0.00 0.00 68.15 69.46 3jwe h THR 141 CO 0.01 0.47 0.31 0.00 0.37 0.00 0.00 175.52 176.67 3jwe h ALA 142 N 0.24 1.65 -0.04 6.16 0.00 -1.11 -2.46 119.26 123.70 3jwe h ALA 142 Ca -0.00 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 3jwe h ALA 142 Cb 0.77 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3jwe h ALA 142 CO 0.00 0.32 -0.66 0.00 0.00 0.00 0.00 179.25 178.92 3jwe h ALA 143 N 1.70 0.83 -0.08 0.00 0.00 -1.45 -2.94 119.26 117.31 3jwe h ALA 143 Ca 0.17 -0.58 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 3jwe h ALA 143 Cb -0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3jwe h ALA 143 CO -0.04 0.78 -0.53 1.49 0.00 0.00 0.00 179.25 180.96 3jwe h GLU 144 N 0.11 0.23 -2.43 0.00 4.81 -1.20 -3.36 114.58 112.74 3jwe h GLU 144 Ca -0.01 -0.14 -0.60 0.00 -0.13 0.00 0.00 59.36 58.48 3jwe h GLU 144 Cb 1.18 0.01 -0.42 0.00 0.63 0.00 0.00 28.75 30.15 3jwe h GLU 144 CO 0.10 0.71 -0.64 0.54 -0.73 0.00 0.00 179.01 178.98 3jwe n ARG 145 N -3.93 2.10 -1.72 1.92 1.74 -1.01 -5.10 116.66 110.67 3jwe n ARG 145 Ca -0.02 -4.45 -0.43 0.00 -0.77 0.00 0.00 57.85 52.18 3jwe n ARG 145 Cb 0.56 -2.16 -0.02 0.00 -1.02 0.00 0.00 32.46 29.83 3jwe n ARG 145 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3jwe n PRO 146 N 1.27 2.48 -0.96 5.56 -0.02 -1.17 -2.17 135.00 140.00 3jwe n PRO 146 Ca 0.26 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.63 3jwe n PRO 146 Cb 0.41 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 3jwe n PRO 146 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3jwe n GLY 147 N 2.43 0.30 0.12 -1.23 0.00 -1.26 -4.90 105.19 100.65 3jwe n GLY 147 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 3jwe n GLY 147 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3jwe h HIS 148 N 0.00 0.50 -2.79 1.61 6.17 -1.77 -3.46 115.15 115.41 3jwe h HIS 148 Ca 0.00 -0.36 -0.65 0.00 0.71 0.00 0.00 60.37 60.07 3jwe h HIS 148 Cb 0.40 -0.02 -0.06 0.00 2.52 0.00 0.00 27.41 30.25 3jwe h HIS 148 CO 0.25 1.45 -0.40 -0.06 0.71 0.00 0.00 177.93 179.88 3jwe s PHE 149 N -2.61 3.62 0.34 5.26 0.08 -1.26 -4.70 117.98 118.72 3jwe s PHE 149 Ca -0.11 0.64 0.14 0.00 0.12 0.00 0.00 56.93 57.72 3jwe s PHE 149 Cb 0.07 -2.02 0.73 0.00 -0.57 0.00 0.00 43.02 41.22 3jwe s PHE 149 CO 0.85 0.69 1.81 0.00 -0.10 0.00 0.00 175.22 178.47 3jwe h ALA 150 N 4.66 1.29 0.00 5.36 0.00 -1.53 -3.44 119.26 125.60 3jwe h ALA 150 Ca -0.53 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.04 3jwe h ALA 150 Cb 1.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3jwe h ALA 150 CO 0.61 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.74 3jwe n GLY 151 N -0.33 0.44 2.85 0.00 0.00 -1.26 -4.45 105.19 102.44 3jwe n GLY 151 Ca -0.02 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 45.06 3jwe n GLY 151 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3jwe s MET 152 N -2.00 0.53 -0.17 1.61 1.75 0.43 -2.13 119.30 119.32 3jwe s MET 152 Ca 0.00 -0.00 -0.03 0.00 -1.25 0.00 0.00 55.69 54.41 3jwe s MET 152 Cb 0.00 -0.65 -0.02 0.00 2.84 0.00 0.00 34.83 37.00 3jwe s MET 152 CO 0.00 -0.12 -0.05 0.08 -0.65 0.00 0.00 175.02 174.28 3jwe s VAL 153 N 1.00 3.62 -0.19 10.11 1.01 0.29 -1.52 120.40 134.73 3jwe s VAL 153 Ca -0.10 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.44 3jwe s VAL 153 Cb -0.14 -2.59 0.04 0.00 0.00 0.00 0.00 36.38 33.69 3jwe s VAL 153 CO -0.01 0.48 -0.12 -0.76 0.00 0.00 0.00 175.10 174.69 3jwe s LEU 154 N 0.65 2.16 -0.41 3.92 1.43 0.08 -1.40 118.68 125.11 3jwe s LEU 154 Ca -0.03 -0.79 -0.13 0.00 -1.03 0.00 0.00 54.13 52.14 3jwe s LEU 154 Cb -0.15 -1.24 0.04 0.00 0.03 0.00 0.00 46.19 44.87 3jwe s LEU 154 CO 0.02 -0.12 0.29 -0.63 0.23 0.00 0.00 176.35 176.14 3jwe s ILE 155 N 1.40 4.94 -0.70 -0.59 1.01 -0.51 -0.76 121.20 126.01 3jwe s ILE 155 Ca 0.00 -0.89 -0.08 0.00 0.00 0.00 0.00 60.65 59.69 3jwe s ILE 155 Cb -0.15 -3.82 0.01 0.00 0.01 0.00 0.00 42.46 38.50 3jwe s ILE 155 CO -0.09 -0.37 0.57 -1.54 0.00 0.00 0.00 174.94 173.51 3jwe n SER 156 N 5.10 -4.54 -4.85 3.58 3.41 0.12 -2.48 113.62 113.95 3jwe n SER 156 Ca -0.11 -0.76 -0.32 0.00 -0.26 0.00 0.00 58.87 57.42 3jwe n SER 156 Cb 0.46 -1.47 -0.01 0.00 -0.26 0.00 0.00 64.21 62.92 3jwe n SER 156 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3jwe s PRO 157 N -4.25 3.78 -0.62 4.33 0.04 -1.26 -1.52 135.00 135.48 3jwe s PRO 157 Ca 0.07 0.87 -0.27 0.00 0.04 0.00 0.00 61.00 61.71 3jwe s PRO 157 Cb -0.01 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.44 3jwe s PRO 157 CO 0.83 -0.42 1.44 -1.17 0.04 0.00 0.00 177.00 177.72 3jwe s LEU 158 N -4.56 3.31 0.00 -3.56 2.96 -0.95 -4.72 118.68 111.15 3jwe s LEU 158 Ca 0.57 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.55 3jwe s LEU 158 Cb -0.11 -2.82 0.00 0.00 0.50 0.00 0.00 46.19 43.77 3jwe s LEU 158 CO 0.41 -1.85 0.00 1.33 -1.32 0.00 0.00 176.35 174.92 3jwe n VAL 159 N 6.76 0.00 -4.35 1.68 0.24 -1.26 -4.20 118.33 117.20 3jwe n VAL 159 Ca 0.11 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.21 3jwe n VAL 159 Cb 0.50 -0.21 -0.13 0.00 -1.47 0.00 0.00 33.84 32.52 3jwe n VAL 159 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3jwe s LEU 160 N -1.97 2.15 0.00 1.34 2.96 -1.26 -4.82 118.68 117.08 3jwe s LEU 160 Ca 0.00 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.49 3jwe s LEU 160 Cb 0.00 -0.57 0.00 0.00 0.50 0.00 0.00 46.19 46.12 3jwe s LEU 160 CO 0.00 0.04 0.00 0.00 -1.32 0.00 0.00 176.35 175.07 3jwe n ALA 161 N 2.02 0.00 -1.36 5.97 0.00 -1.26 -4.83 120.51 121.05 3jwe n ALA 161 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3jwe n ALA 161 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3jwe n ALA 161 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3jwe n LEU 181 N 0.00 -1.99 -0.01 0.00 7.94 -1.26 -5.06 117.00 116.63 3jwe n LEU 181 Ca 0.00 0.40 0.11 0.00 -1.11 0.00 0.00 56.01 55.40 3jwe n LEU 181 Cb 0.00 -0.67 -0.16 0.00 0.53 0.00 0.00 43.42 43.12 3jwe n LEU 181 CO 0.00 -1.17 -0.59 -0.81 -1.11 0.00 0.00 177.39 173.70 3jwe n PRO 182 N 1.60 0.51 0.00 1.96 -0.04 -1.26 -4.50 135.00 133.27 3jwe n PRO 182 Ca 0.00 -0.15 0.07 0.00 -0.04 0.00 0.00 63.50 63.38 3jwe n PRO 182 Cb 0.02 -1.52 0.43 0.00 -0.04 0.00 0.00 33.50 32.39 3jwe n PRO 182 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3jwe n ASN 183 N -2.10 0.00 -4.76 3.54 4.13 -1.26 -3.87 115.26 110.95 3jwe n ASN 183 Ca -0.02 -0.80 -0.41 0.00 1.68 0.00 0.00 54.58 55.03 3jwe n ASN 183 Cb 0.52 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.73 3jwe n ASN 183 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3jwe s LEU 184 N -1.72 4.45 0.26 3.41 1.02 -1.26 -4.92 118.68 119.91 3jwe s LEU 184 Ca 0.22 2.50 0.06 0.00 0.02 0.00 0.00 54.13 56.93 3jwe s LEU 184 Cb 0.10 -3.63 -0.03 0.00 0.02 0.00 0.00 46.19 42.65 3jwe s LEU 184 CO 0.17 -0.45 0.28 -0.55 0.02 0.00 0.00 176.35 175.82 3jwe s SER 185 N -0.27 5.79 0.17 2.29 0.15 -1.26 -1.20 113.70 119.36 3jwe s SER 185 Ca 0.51 -0.17 0.20 0.00 0.70 0.00 0.00 55.95 57.19 3jwe s SER 185 Cb -0.37 -1.49 -0.03 0.00 -1.71 0.00 0.00 66.02 62.42 3jwe s SER 185 CO 0.45 -0.11 1.02 0.25 1.20 0.00 0.00 173.24 176.05 3jwe h LEU 186 N 1.32 0.00 0.00 3.45 5.85 -0.16 -3.46 115.31 122.31 3jwe h LEU 186 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3jwe h LEU 186 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3jwe h LEU 186 CO 0.60 0.23 0.00 0.61 -0.34 0.00 0.00 178.44 179.54 3jwe n GLY 187 N 1.26 2.89 3.67 3.75 0.00 -1.26 -4.90 105.19 110.59 3jwe n GLY 187 Ca -0.03 -1.37 -0.45 0.00 0.00 0.00 0.00 46.02 44.17 3jwe n GLY 187 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3jwe n PRO 188 N 1.39 1.98 -1.97 1.61 -0.02 -1.26 -4.48 135.00 132.24 3jwe n PRO 188 Ca 0.00 0.70 -0.32 0.00 -2.02 0.00 0.00 63.50 61.87 3jwe n PRO 188 Cb 0.00 -2.33 0.01 0.00 -0.02 0.00 0.00 33.50 31.16 3jwe n PRO 188 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3jwe s ILE 189 N -0.22 4.22 -0.38 4.25 1.10 -1.26 -4.96 121.20 123.95 3jwe s ILE 189 Ca 0.67 0.90 -0.29 0.00 -0.51 0.00 0.00 60.65 61.42 3jwe s ILE 189 Cb -0.65 -3.57 0.02 0.00 0.15 0.00 0.00 42.46 38.41 3jwe s ILE 189 CO 0.52 -0.77 1.09 -0.62 -2.11 0.00 0.00 174.94 173.05 3jwe s ASP 190 N -3.39 6.80 0.50 4.50 2.15 -1.26 -4.91 116.67 121.06 3jwe s ASP 190 Ca 0.59 0.80 0.26 0.00 0.43 0.00 0.00 52.55 54.64 3jwe s ASP 190 Cb -0.13 -2.54 1.42 0.00 -0.30 0.00 0.00 42.92 41.36 3jwe s ASP 190 CO 0.44 -1.02 1.77 0.77 -0.17 0.00 0.00 175.17 176.95 3jwe h SER 191 N 8.54 0.00 0.83 -0.34 4.64 -1.99 -2.22 113.55 123.01 3jwe h SER 191 Ca -0.22 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.08 3jwe h SER 191 Cb 1.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3jwe h SER 191 CO 1.07 0.00 -0.14 0.77 -0.87 0.00 0.00 176.83 177.66 3jwe h SER 192 N 0.00 0.00 1.08 4.97 4.64 -1.90 -2.97 113.55 119.37 3jwe h SER 192 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3jwe h SER 192 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3jwe h SER 192 CO 0.00 0.14 0.00 1.33 -0.87 0.00 0.00 176.83 177.43 3jwe n VAL 193 N -3.33 0.63 -0.01 0.95 0.24 -0.84 -3.81 118.33 112.16 3jwe n VAL 193 Ca -0.00 -0.03 -0.13 0.00 -2.04 0.00 0.00 64.34 62.14 3jwe n VAL 193 Cb 0.35 -0.80 -0.10 0.00 -1.47 0.00 0.00 33.84 31.82 3jwe n VAL 193 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3jwe h LEU 194 N 0.00 -0.01 -7.58 1.34 4.07 -1.72 -3.33 115.31 108.08 3jwe h LEU 194 Ca 0.00 -0.50 -0.12 0.00 0.08 0.00 0.00 57.88 57.34 3jwe h LEU 194 Cb 0.54 0.00 -0.19 0.00 1.08 0.00 0.00 40.66 42.09 3jwe h LEU 194 CO 0.00 0.50 -0.31 -0.55 -1.08 0.00 0.00 178.44 177.00 3jwe s SER 195 N -5.70 -0.12 0.36 -0.43 0.15 -1.25 -1.12 113.70 105.58 3jwe s SER 195 Ca -0.16 -0.05 0.24 0.00 0.70 0.00 0.00 55.95 56.68 3jwe s SER 195 Cb 0.01 0.30 0.46 0.00 -1.71 0.00 0.00 66.02 65.09 3jwe s SER 195 CO 0.67 -0.48 1.63 0.03 1.20 0.00 0.00 173.24 176.29 3jwe h ARG 196 N 3.76 0.00 -6.44 5.44 3.08 -1.88 -3.44 114.38 114.91 3jwe h ARG 196 Ca -0.30 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.20 3jwe h ARG 196 Cb 1.18 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.17 3jwe h ARG 196 CO 0.42 0.00 1.08 1.21 -1.07 0.00 0.00 179.97 181.61 3jwe s ASN 197 N -5.66 6.18 0.41 7.04 3.84 -1.26 -4.93 114.94 120.56 3jwe s ASN 197 Ca 0.08 0.28 0.09 0.00 0.21 0.00 0.00 52.86 53.52 3jwe s ASN 197 Cb 0.07 -2.55 0.89 0.00 -0.55 0.00 0.00 41.25 39.12 3jwe s ASN 197 CO 0.65 -1.66 2.02 0.11 -2.79 0.00 0.00 177.10 175.43 3jwe h LYS 198 N 10.82 0.52 -0.03 0.43 1.57 -1.96 -2.51 116.57 125.41 3jwe h LYS 198 Ca -0.27 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3jwe h LYS 198 Cb 1.09 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 3jwe h LYS 198 CO 1.18 0.35 0.00 1.15 -0.57 0.00 0.00 179.45 181.55 3jwe h THR 199 N 0.54 1.22 -0.20 -0.16 2.02 -1.98 -2.66 112.91 111.69 3jwe h THR 199 Ca 0.21 -0.67 -0.03 0.00 0.77 0.00 0.00 66.41 66.69 3jwe h THR 199 Cb 0.16 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 3jwe h THR 199 CO -0.05 0.18 -0.01 -0.33 0.37 0.00 0.00 175.52 175.68 3jwe h GLU 200 N -0.22 0.29 -0.49 6.66 4.39 -1.80 -0.79 114.58 122.61 3jwe h GLU 200 Ca 0.01 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.55 3jwe h GLU 200 Cb 0.28 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 3jwe h GLU 200 CO 0.00 0.32 -0.12 0.28 -1.16 0.00 0.00 179.01 178.33 3jwe h VAL 201 N 0.29 1.27 -0.63 3.13 2.07 -1.45 -1.88 116.25 119.06 3jwe h VAL 201 Ca 0.07 -1.26 -0.08 0.00 0.82 0.00 0.00 66.70 66.25 3jwe h VAL 201 Cb 0.21 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3jwe h VAL 201 CO 0.00 0.44 0.07 0.44 0.02 0.00 0.00 177.57 178.55 3jwe h ASP 202 N 0.80 1.00 -0.18 0.57 3.32 -0.94 0.15 116.42 121.15 3jwe h ASP 202 Ca 0.12 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 3jwe h ASP 202 Cb 0.68 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 3jwe h ASP 202 CO 0.05 1.01 0.08 0.40 -1.72 0.00 0.00 179.24 179.06 3jwe h ILE 203 N 0.97 1.15 0.21 0.35 2.04 -1.10 -2.74 117.51 118.39 3jwe h ILE 203 Ca 0.19 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.61 3jwe h ILE 203 Cb 0.46 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 3jwe h ILE 203 CO 0.02 0.14 -0.28 0.22 0.00 0.00 0.00 178.15 178.25 3jwe h TYR 204 N 0.14 -0.76 0.00 1.37 3.20 -1.10 -2.32 116.97 117.51 3jwe h TYR 204 Ca 0.06 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3jwe h TYR 204 Cb 0.16 0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.73 3jwe h TYR 204 CO -0.02 -0.40 0.00 0.09 -1.64 0.00 0.00 178.16 176.19 3jwe n ASN 205 N -5.40 0.42 -0.17 -2.11 5.03 0.02 -2.76 115.26 110.29 3jwe n ASN 205 Ca -0.08 0.69 0.02 0.00 0.87 0.00 0.00 54.58 56.08 3jwe n ASN 205 Cb 0.31 -0.74 0.02 0.00 -1.02 0.00 0.00 39.78 38.34 3jwe n ASN 205 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3jwe n SER 206 N -2.06 1.43 -4.65 6.41 3.41 -0.97 -5.00 113.62 112.19 3jwe n SER 206 Ca -0.01 -1.24 -0.43 0.00 -0.26 0.00 0.00 58.87 56.93 3jwe n SER 206 Cb 0.04 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 3jwe n SER 206 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3jwe s ASP 207 N -0.40 7.01 0.56 4.04 -1.08 -0.91 -4.94 116.67 120.95 3jwe s ASP 207 Ca 0.05 1.35 0.35 0.00 -0.52 0.00 0.00 52.55 53.79 3jwe s ASP 207 Cb 0.04 -2.54 1.57 0.00 -1.46 0.00 0.00 42.92 40.52 3jwe s ASP 207 CO 0.05 -0.76 2.05 1.55 0.52 0.00 0.00 175.17 178.59 3jwe h PRO 208 N 7.82 0.00 0.00 4.34 0.13 -1.93 -2.73 132.00 139.63 3jwe h PRO 208 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3jwe h PRO 208 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3jwe h PRO 208 CO 0.99 0.00 -0.11 1.28 -0.23 0.00 0.00 178.00 179.93 3jwe n LEU 209 N -3.04 0.17 -4.71 1.56 4.77 -1.26 -4.80 117.00 109.68 3jwe n LEU 209 Ca -0.00 0.40 -0.39 0.00 -0.03 0.00 0.00 56.01 55.99 3jwe n LEU 209 Cb 0.25 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 40.86 3jwe n LEU 209 CO 0.25 0.01 0.35 -0.63 -1.33 0.00 0.00 177.39 176.04 3jwe s ILE 210 N -3.01 5.07 -0.56 -0.08 1.01 -1.03 -3.97 121.20 118.63 3jwe s ILE 210 Ca 0.13 1.33 -0.21 0.00 0.00 0.00 0.00 60.65 61.91 3jwe s ILE 210 Cb 0.18 -3.99 0.07 0.00 0.01 0.00 0.00 42.46 38.73 3jwe s ILE 210 CO 0.57 0.26 0.77 0.00 0.00 0.00 0.00 174.94 176.54 3jwe n ARG 212 N 6.76 0.90 -1.50 0.00 1.74 -1.26 -4.70 116.66 118.59 3jwe n ARG 212 Ca -0.05 -0.53 -0.34 0.00 -0.77 0.00 0.00 57.85 56.16 3jwe n ARG 212 Cb 0.45 -1.49 0.08 0.00 -1.02 0.00 0.00 32.46 30.49 3jwe n ARG 212 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jwe s ALA 213 N -2.47 2.19 1.00 7.54 0.00 -1.26 -4.66 121.76 124.11 3jwe s ALA 213 Ca 0.25 0.80 -0.12 0.00 0.00 0.00 0.00 51.96 52.90 3jwe s ALA 213 Cb 0.19 -3.44 0.16 0.00 0.00 0.00 0.00 23.12 20.04 3jwe s ALA 213 CO 0.51 -1.75 0.91 0.41 0.00 0.00 0.00 175.76 175.84 3jwe n GLY 214 N 0.19 -1.21 3.72 0.00 0.00 -1.26 -4.80 105.19 101.82 3jwe n GLY 214 Ca 0.13 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 3jwe n GLY 214 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3jwe s LEU 215 N -5.47 4.37 0.23 0.99 2.96 -1.26 -4.63 118.68 115.87 3jwe s LEU 215 Ca 0.65 2.53 -0.30 0.00 -0.22 0.00 0.00 54.13 56.79 3jwe s LEU 215 Cb -0.23 -3.59 -0.09 0.00 0.50 0.00 0.00 46.19 42.79 3jwe s LEU 215 CO 0.62 -0.77 1.01 -0.54 -1.32 0.00 0.00 176.35 175.35 3jwe s LYS 216 N 1.12 4.75 0.16 1.98 1.02 -1.26 0.55 119.74 128.04 3jwe s LYS 216 Ca 0.68 1.61 -0.17 0.00 0.02 0.00 0.00 55.97 58.11 3jwe s LYS 216 Cb -0.42 -3.26 0.08 0.00 -0.52 0.00 0.00 37.83 33.71 3jwe s LYS 216 CO 0.31 0.34 1.69 0.28 -0.92 0.00 0.00 175.35 177.06 3jwe h VAL 217 N 3.30 0.70 -0.20 3.17 2.07 -1.35 0.35 116.25 124.29 3jwe h VAL 217 Ca -0.45 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.10 3jwe h VAL 217 Cb 1.21 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 3jwe h VAL 217 CO 0.69 0.01 -0.23 0.00 0.02 0.00 0.00 177.57 178.05 3jwe h PHE 219 N -0.26 1.17 -0.79 0.00 3.57 -1.69 -2.54 116.94 116.40 3jwe h PHE 219 Ca 0.12 -0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.60 3jwe h PHE 219 Cb 0.45 -0.35 -0.06 0.00 2.79 0.00 0.00 35.95 38.78 3jwe h PHE 219 CO -0.37 0.88 0.48 0.78 -2.23 0.00 0.00 178.31 177.85 3jwe h GLY 220 N 1.15 1.19 0.96 2.40 0.00 0.41 -0.47 103.07 108.70 3jwe h GLY 220 Ca 0.26 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 47.26 3jwe h GLY 220 CO -0.02 0.23 0.35 -2.22 0.00 0.00 0.00 176.54 174.88 3jwe h ILE 221 N 0.88 1.11 -0.83 2.60 2.04 -0.80 -2.28 117.51 120.25 3jwe h ILE 221 Ca 0.35 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 3jwe h ILE 221 Cb 0.17 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 3jwe h ILE 221 CO -0.17 0.13 0.49 1.56 0.00 0.00 0.00 178.15 180.15 3jwe h GLN 222 N 0.70 1.13 0.00 2.37 1.08 -1.00 -2.02 115.11 117.38 3jwe h GLN 222 Ca 0.20 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 57.25 3jwe h GLN 222 Cb -0.05 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.14 3jwe h GLN 222 CO -0.06 0.81 -0.20 -0.07 -0.95 0.00 0.00 178.83 178.36 3jwe h LEU 223 N 1.14 0.00 -0.22 1.46 3.38 -0.89 -0.71 115.31 119.47 3jwe h LEU 223 Ca 0.29 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.05 3jwe h LEU 223 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3jwe h LEU 223 CO -0.05 0.20 -0.92 -0.07 0.09 0.00 0.00 178.44 177.69 3jwe h LEU 224 N 0.00 0.37 -0.13 1.67 3.38 -0.82 -2.60 115.31 117.18 3jwe h LEU 224 Ca -0.00 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3jwe h LEU 224 Cb 0.45 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3jwe h LEU 224 CO 0.03 1.11 0.06 0.78 0.09 0.00 0.00 178.44 180.50 3jwe h ASN 225 N 0.15 0.18 -0.54 -0.43 2.35 -0.66 -1.81 115.58 114.82 3jwe h ASN 225 Ca -0.06 -0.15 0.11 0.00 -0.55 0.00 0.00 56.30 55.65 3jwe h ASN 225 Cb 1.56 -0.05 -0.09 0.00 0.05 0.00 0.00 38.32 39.79 3jwe h ASN 225 CO 0.15 0.28 0.01 0.00 -1.65 0.00 0.00 177.43 176.22 3jwe h ALA 226 N 0.91 0.54 -0.73 -0.83 0.00 -1.16 0.12 119.26 118.10 3jwe h ALA 226 Ca 0.04 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3jwe h ALA 226 Cb 0.15 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3jwe h ALA 226 CO -0.00 -0.38 0.40 0.28 0.00 0.00 0.00 179.25 179.54 3jwe h VAL 227 N 0.13 1.22 -0.26 0.00 2.07 -1.27 0.60 116.25 118.74 3jwe h VAL 227 Ca 0.28 -0.56 -0.12 0.00 0.82 0.00 0.00 66.70 67.12 3jwe h VAL 227 Cb 0.43 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3jwe h VAL 227 CO -0.45 0.25 -0.34 -1.28 0.02 0.00 0.00 177.57 175.78 3jwe h SER 228 N 1.00 0.57 0.58 0.57 0.87 -0.45 -1.75 113.55 114.95 3jwe h SER 228 Ca 0.26 -0.23 -0.24 0.00 -1.23 0.00 0.00 61.79 60.35 3jwe h SER 228 Cb 0.04 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.84 3jwe h SER 228 CO -0.04 0.86 -1.07 0.03 -0.53 0.00 0.00 176.83 176.08 3jwe h ARG 229 N 0.47 0.26 -0.33 2.24 3.08 -0.48 -2.53 114.38 117.09 3jwe h ARG 229 Ca 0.05 -0.37 -0.05 0.00 0.07 0.00 0.00 59.98 59.69 3jwe h ARG 229 Cb 0.81 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 3jwe h ARG 229 CO 0.07 1.12 0.01 0.28 -1.07 0.00 0.00 179.97 180.37 3jwe h VAL 230 N 0.11 1.25 -0.51 2.04 2.07 -0.79 -1.82 116.25 118.60 3jwe h VAL 230 Ca -0.09 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 66.55 3jwe h VAL 230 Cb 1.76 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 32.70 3jwe h VAL 230 CO 0.17 0.31 0.22 -0.08 0.02 0.00 0.00 177.57 178.21 3jwe h GLU 231 N 0.38 0.42 0.00 1.57 4.81 -1.31 -2.08 114.58 118.36 3jwe h GLU 231 Ca 0.09 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 3jwe h GLU 231 Cb 0.43 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3jwe h GLU 231 CO 0.01 0.28 -0.35 0.00 -0.73 0.00 0.00 179.01 178.22 3jwe h ARG 232 N 0.43 0.00 0.00 1.92 3.08 -1.37 -3.26 114.38 115.18 3jwe h ARG 232 Ca 0.24 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.09 3jwe h ARG 232 Cb 0.21 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 3jwe h ARG 232 CO -0.21 0.35 -1.03 0.00 -1.07 0.00 0.00 179.97 178.02 3jwe h ALA 233 N 1.65 0.51 -0.82 0.04 0.00 -0.81 -3.39 119.26 116.43 3jwe h ALA 233 Ca -0.00 -0.89 0.20 0.00 0.00 0.00 0.00 54.91 54.22 3jwe h ALA 233 Cb 0.87 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.51 3jwe h ALA 233 CO 0.05 1.14 0.19 -0.07 0.00 0.00 0.00 179.25 180.56 3jwe h LEU 234 N 0.00 -0.03 -0.80 0.00 3.38 -1.43 -0.53 115.31 115.90 3jwe h LEU 234 Ca -0.06 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3jwe h LEU 234 Cb 1.71 0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.71 3jwe h LEU 234 CO 0.10 -0.11 0.00 -2.65 0.09 0.00 0.00 178.44 175.87 3jwe n PRO 235 N -5.21 0.09 -0.01 1.13 -0.02 -1.26 -2.02 135.00 127.71 3jwe n PRO 235 Ca 0.18 0.54 0.02 0.00 -2.02 0.00 0.00 63.50 62.22 3jwe n PRO 235 Cb 0.58 -1.77 0.02 0.00 -0.02 0.00 0.00 33.50 32.31 3jwe n PRO 235 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3jwe n LYS 236 N -1.96 0.03 -2.40 -0.52 2.85 -0.25 -4.73 118.16 111.17 3jwe n LYS 236 Ca -0.00 -0.88 -0.43 0.00 -1.05 0.00 0.00 58.31 55.95 3jwe n LYS 236 Cb 0.06 -1.08 -0.02 0.00 -0.65 0.00 0.00 35.03 33.33 3jwe n LYS 236 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3jwe s LEU 237 N -0.44 3.59 0.00 -5.58 2.96 -0.85 -4.86 118.68 113.50 3jwe s LEU 237 Ca 0.05 0.74 0.06 0.00 -0.22 0.00 0.00 54.13 54.76 3jwe s LEU 237 Cb 0.04 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.15 3jwe s LEU 237 CO 0.05 -1.40 0.36 0.35 -1.32 0.00 0.00 176.35 174.39 3jwe n THR 238 N 7.04 0.00 -1.82 3.68 -2.24 -1.26 -1.44 114.28 118.24 3jwe n THR 238 Ca 0.16 -0.40 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 3jwe n THR 238 Cb 0.48 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.73 3jwe n THR 238 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3jwe s VAL 239 N -1.29 2.17 0.22 2.28 0.11 -1.26 -4.40 120.40 118.23 3jwe s VAL 239 Ca 0.04 0.14 -0.31 0.00 -2.93 0.00 0.00 61.98 58.92 3jwe s VAL 239 Cb 0.05 -3.09 -0.11 0.00 -1.53 0.00 0.00 36.38 31.70 3jwe s VAL 239 CO 0.20 0.02 1.55 -2.84 -3.33 0.00 0.00 175.10 170.70 3jwe s PRO 240 N -0.30 4.20 0.04 1.54 0.02 -1.26 -4.76 135.00 134.48 3jwe s PRO 240 Ca 0.64 2.42 0.02 0.00 0.02 0.00 0.00 61.00 64.09 3jwe s PRO 240 Cb -0.47 -3.10 -0.02 0.00 0.02 0.00 0.00 34.50 30.92 3jwe s PRO 240 CO 0.45 -0.57 -0.07 -0.59 -0.33 0.00 0.00 177.00 175.89 3jwe s PHE 241 N 0.56 0.62 -0.17 6.54 -0.71 0.09 -0.43 117.98 124.49 3jwe s PHE 241 Ca 0.66 -0.49 -0.01 0.00 -1.04 0.00 0.00 56.93 56.04 3jwe s PHE 241 Cb -0.45 -0.38 -0.01 0.00 -1.21 0.00 0.00 43.02 40.98 3jwe s PHE 241 CO 0.38 -0.09 -0.10 -1.17 -1.34 0.00 0.00 175.22 172.90 3jwe s LEU 242 N -1.53 2.75 -0.20 -1.99 2.96 -0.57 -1.58 118.68 118.51 3jwe s LEU 242 Ca -0.10 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.44 3jwe s LEU 242 Cb -0.10 -1.65 0.02 0.00 0.50 0.00 0.00 46.19 44.96 3jwe s LEU 242 CO 0.00 0.09 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.75 3jwe s LEU 243 N 0.81 2.51 -0.21 -0.68 2.96 0.25 -0.74 118.68 123.59 3jwe s LEU 243 Ca -0.04 -0.71 -0.04 0.00 -0.22 0.00 0.00 54.13 53.13 3jwe s LEU 243 Cb -0.15 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 3jwe s LEU 243 CO 0.01 -0.04 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.20 3jwe s LEU 244 N 1.31 2.93 0.01 -0.68 1.43 0.06 -0.85 118.68 122.88 3jwe s LEU 244 Ca 0.03 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 3jwe s LEU 244 Cb -0.14 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 3jwe s LEU 244 CO -0.10 0.01 -0.02 -1.58 0.23 0.00 0.00 176.35 174.89 3jwe s GLN 245 N 1.30 0.20 -0.13 1.70 2.00 -0.56 -0.70 119.66 123.47 3jwe s GLN 245 Ca 0.04 -0.20 -0.13 0.00 -2.00 0.00 0.00 55.36 53.07 3jwe s GLN 245 Cb -0.14 -0.11 -0.05 0.00 0.80 0.00 0.00 33.01 33.51 3jwe s GLN 245 CO -0.02 0.03 0.30 0.20 -0.50 0.00 0.00 175.29 175.30 3jwe s GLY 246 N -0.37 2.26 0.39 2.59 0.00 -1.26 -1.18 107.32 109.75 3jwe s GLY 246 Ca -0.03 -0.42 0.07 0.00 0.00 0.00 0.00 44.72 44.34 3jwe s GLY 246 CO -0.00 0.30 1.99 1.48 0.00 0.00 0.00 173.10 176.87 3jwe h SER 247 N 6.13 0.44 -0.85 1.64 4.64 -1.35 -3.05 113.55 121.14 3jwe h SER 247 Ca -0.45 -0.04 -0.48 0.00 -0.47 0.00 0.00 61.79 60.35 3jwe h SER 247 Cb 1.18 -0.11 -0.27 0.00 -0.31 0.00 0.00 62.40 62.89 3jwe h SER 247 CO 0.71 0.40 0.48 0.00 -0.87 0.00 0.00 176.83 177.55 3jwe n ALA 248 N -2.48 5.48 -2.43 5.18 0.00 -0.61 -4.76 120.51 120.89 3jwe n ALA 248 Ca 0.02 -3.12 -0.43 0.00 0.00 0.00 0.00 53.44 49.92 3jwe n ALA 248 Cb 0.13 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.24 3jwe n ALA 248 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3jwe s ASP 249 N -1.78 6.85 0.00 0.00 -1.08 -1.15 -4.50 116.67 115.01 3jwe s ASP 249 Ca 0.56 1.51 0.26 0.00 -0.52 0.00 0.00 52.55 54.36 3jwe s ASP 249 Cb 0.47 -2.54 0.59 0.00 -1.46 0.00 0.00 42.92 39.98 3jwe s ASP 249 CO 0.06 -0.87 1.48 0.54 0.52 0.00 0.00 175.17 176.90 3jwe n ARG 250 N 6.85 1.77 -0.11 4.34 1.74 -1.26 -4.19 116.66 125.79 3jwe n ARG 250 Ca 0.14 -1.27 -0.24 0.00 -0.77 0.00 0.00 57.85 55.71 3jwe n ARG 250 Cb 0.45 -1.47 -0.08 0.00 -1.02 0.00 0.00 32.46 30.34 3jwe n ARG 250 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3jwe n LEU 251 N 0.50 1.63 -4.03 0.55 4.77 -1.26 -4.84 117.00 114.31 3jwe n LEU 251 Ca 0.15 0.28 -0.33 0.00 -0.03 0.00 0.00 56.01 56.09 3jwe n LEU 251 Cb 0.46 -0.68 -0.13 0.00 -2.33 0.00 0.00 43.42 40.74 3jwe n LEU 251 CO 0.18 0.44 -0.22 0.00 -1.33 0.00 0.00 177.39 176.46 3jwe n ASP 253 N 3.99 3.04 0.20 0.00 4.64 -1.26 -4.71 116.55 122.45 3jwe n ASP 253 Ca 0.03 1.17 0.17 0.00 -1.38 0.00 0.00 54.79 54.78 3jwe n ASP 253 Cb 0.39 -1.49 0.83 0.00 -1.04 0.00 0.00 41.12 39.81 3jwe n ASP 253 CO 0.00 0.00 0.00 0.77 -0.82 0.00 0.00 177.20 177.15 3jwe h SER 254 N 3.78 0.00 -0.72 1.67 4.64 -1.81 -2.23 113.55 118.89 3jwe h SER 254 Ca -0.46 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.02 3jwe h SER 254 Cb 1.27 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.24 3jwe h SER 254 CO 0.72 0.00 0.11 0.11 -0.87 0.00 0.00 176.83 176.90 3jwe h LYS 255 N 0.00 0.20 -0.80 4.77 1.57 -1.97 -0.05 116.57 120.28 3jwe h LYS 255 Ca 0.09 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.94 3jwe h LYS 255 Cb 0.53 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.74 3jwe h LYS 255 CO -0.00 0.13 0.52 0.78 -0.57 0.00 0.00 179.45 180.31 3jwe h GLY 256 N 0.20 1.09 1.43 3.86 0.00 -1.77 -1.57 103.07 106.31 3jwe h GLY 256 Ca 0.40 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 47.29 3jwe h GLY 256 CO -0.55 0.21 -0.26 0.00 0.00 0.00 0.00 176.54 175.95 3jwe h ALA 257 N 1.58 0.95 -0.15 3.60 0.00 -1.16 -0.90 119.26 123.17 3jwe h ALA 257 Ca 0.36 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 3jwe h ALA 257 Cb 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3jwe h ALA 257 CO -0.14 0.61 -0.55 1.88 0.00 0.00 0.00 179.25 181.05 3jwe h TYR 258 N 0.56 0.57 -0.30 0.00 0.05 -1.07 -1.97 116.97 114.81 3jwe h TYR 258 Ca 0.08 -0.20 -0.14 0.00 0.05 0.00 0.00 58.73 58.52 3jwe h TYR 258 Cb 0.74 -0.11 -0.00 0.00 1.01 0.00 0.00 36.73 38.36 3jwe h TYR 258 CO 0.03 0.90 -0.34 -0.07 -1.05 0.00 0.00 178.16 177.63 3jwe h LEU 259 N 0.35 0.82 -0.79 3.88 -0.00 -1.15 -2.66 115.31 115.77 3jwe h LEU 259 Ca 0.01 -0.48 0.03 0.00 -0.00 0.00 0.00 57.88 57.43 3jwe h LEU 259 Cb 1.07 -0.23 -0.05 0.00 -0.00 0.00 0.00 40.66 41.45 3jwe h LEU 259 CO 0.10 1.14 0.50 0.25 -0.00 0.00 0.00 178.44 180.43 3jwe h LEU 260 N 0.52 0.83 -1.03 1.67 5.85 -1.11 0.27 115.31 122.31 3jwe h LEU 260 Ca 0.04 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 3jwe h LEU 260 Cb 0.93 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3jwe h LEU 260 CO 0.08 0.58 -0.28 0.24 -0.34 0.00 0.00 178.44 178.72 3jwe h MET 261 N 0.98 0.35 0.09 1.25 2.86 -1.32 -2.65 114.93 116.49 3jwe h MET 261 Ca 0.31 -0.13 -0.12 0.00 -2.06 0.00 0.00 59.70 57.70 3jwe h MET 261 Cb 0.01 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.66 3jwe h MET 261 CO -0.11 0.61 -0.52 1.49 1.06 0.00 0.00 176.91 179.44 3jwe h GLU 262 N 0.31 0.19 0.00 1.72 4.81 -1.01 -3.39 114.58 117.21 3jwe h GLU 262 Ca 0.05 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 3jwe h GLU 262 Cb 0.66 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 3jwe h GLU 262 CO 0.05 1.15 -0.43 -0.07 -0.73 0.00 0.00 179.01 178.98 3jwe h LEU 263 N -0.61 0.00 -9.96 1.64 3.38 -0.55 -3.47 115.31 105.75 3jwe h LEU 263 Ca -0.09 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.39 3jwe h LEU 263 Cb 1.40 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.19 3jwe h LEU 263 CO 0.09 0.09 0.45 0.00 0.09 0.00 0.00 178.44 179.16 3jwe s ALA 264 N -3.21 3.09 -1.34 1.53 0.00 -1.00 -4.13 121.76 116.70 3jwe s ALA 264 Ca 0.04 0.81 0.27 0.00 0.00 0.00 0.00 51.96 53.08 3jwe s ALA 264 Cb 0.07 -3.32 0.83 0.00 0.00 0.00 0.00 23.12 20.70 3jwe s ALA 264 CO 0.72 -0.37 1.62 1.63 0.00 0.00 0.00 175.76 179.37 3jwe n LYS 265 N -0.08 0.37 -1.53 0.00 4.76 -0.58 -4.97 118.16 116.13 3jwe n LYS 265 Ca 0.05 -0.18 -0.50 0.00 -2.87 0.00 0.00 58.31 54.81 3jwe n LYS 265 Cb 0.48 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 32.13 3jwe n LYS 265 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3jwe n SER 266 N -1.16 0.58 0.17 4.39 7.64 -0.52 -4.86 113.62 119.86 3jwe n SER 266 Ca 0.09 1.15 0.12 0.00 1.01 0.00 0.00 58.87 61.24 3jwe n SER 266 Cb 0.33 -1.11 0.14 0.00 -1.01 0.00 0.00 64.21 62.55 3jwe n SER 266 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3jwe h GLN 267 N 2.75 0.00 -3.21 1.43 1.08 -1.90 -3.40 115.11 111.86 3jwe h GLN 267 Ca -0.41 0.00 -0.63 0.00 -1.45 0.00 0.00 58.65 56.16 3jwe h GLN 267 Cb 1.38 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 28.40 3jwe h GLN 267 CO 0.66 0.00 -0.62 0.34 -0.95 0.00 0.00 178.83 178.26 3jwe s ASP 268 N -5.76 4.41 -0.07 1.46 2.15 -1.26 -5.08 116.67 112.51 3jwe s ASP 268 Ca 0.05 -3.33 0.01 0.00 0.43 0.00 0.00 52.55 49.71 3jwe s ASP 268 Cb 0.07 -1.57 0.02 0.00 -0.30 0.00 0.00 42.92 41.14 3jwe s ASP 268 CO 0.70 -0.17 -0.08 -1.59 -0.17 0.00 0.00 175.17 173.86 3jwe s LYS 269 N -0.72 1.31 -0.04 4.34 -2.85 -1.26 -0.73 119.74 119.80 3jwe s LYS 269 Ca 0.21 -0.23 0.05 0.00 -1.00 0.00 0.00 55.97 54.99 3jwe s LYS 269 Cb -0.17 -1.27 -0.01 0.00 -2.06 0.00 0.00 37.83 34.33 3jwe s LYS 269 CO -0.07 -0.12 -0.18 0.99 0.10 0.00 0.00 175.35 176.07 3jwe s THR 270 N 1.17 1.51 -0.06 3.79 2.01 -0.61 -5.01 115.64 118.42 3jwe s THR 270 Ca -0.06 -0.77 0.05 0.00 0.31 0.00 0.00 61.69 61.23 3jwe s THR 270 Cb -0.14 -1.29 -0.01 0.00 0.01 0.00 0.00 72.50 71.07 3jwe s THR 270 CO -0.02 0.43 -0.24 -0.22 -0.69 0.00 0.00 174.62 173.89 3jwe s LEU 271 N -0.06 2.13 -0.12 4.42 2.96 -1.26 -0.58 118.68 126.17 3jwe s LEU 271 Ca -0.02 -0.49 -0.00 0.00 -0.22 0.00 0.00 54.13 53.40 3jwe s LEU 271 Cb -0.11 -1.40 0.02 0.00 0.50 0.00 0.00 46.19 45.21 3jwe s LEU 271 CO 0.02 0.24 -0.09 -0.75 -1.32 0.00 0.00 176.35 174.44 3jwe s LYS 272 N -0.11 1.67 -0.19 1.98 2.20 -0.03 -4.98 119.74 120.28 3jwe s LYS 272 Ca -0.05 -0.32 -0.08 0.00 -0.36 0.00 0.00 55.97 55.16 3jwe s LYS 272 Cb -0.14 -1.66 -0.04 0.00 -1.51 0.00 0.00 37.83 34.47 3jwe s LYS 272 CO 0.04 -0.24 0.08 0.42 -0.36 0.00 0.00 175.35 175.30 3jwe s ILE 273 N 1.59 4.92 -0.49 5.43 -1.09 -1.26 -1.50 121.20 128.80 3jwe s ILE 273 Ca 0.03 0.01 -0.12 0.00 -2.23 0.00 0.00 60.65 58.35 3jwe s ILE 273 Cb -0.13 -3.23 0.11 0.00 -1.58 0.00 0.00 42.46 37.63 3jwe s ILE 273 CO -0.08 0.44 0.39 -0.31 -1.23 0.00 0.00 174.94 174.16 3jwe s TYR 274 N 0.47 3.34 0.03 3.97 2.02 -0.32 -4.98 117.35 121.87 3jwe s TYR 274 Ca 0.04 -1.53 -0.30 0.00 -0.37 0.00 0.00 57.07 54.92 3jwe s TYR 274 Cb -0.12 -3.48 -0.08 0.00 -0.40 0.00 0.00 41.96 37.87 3jwe s TYR 274 CO 0.00 -0.96 1.85 -2.00 -1.57 0.00 0.00 175.55 172.87 3jwe s GLU 275 N 1.48 4.16 0.00 -0.62 2.56 -1.26 -1.78 118.70 123.23 3jwe s GLU 275 Ca 0.04 2.48 0.00 0.00 0.00 0.00 0.00 54.97 57.49 3jwe s GLU 275 Cb -0.27 -4.01 0.00 0.00 2.00 0.00 0.00 34.13 31.85 3jwe s GLU 275 CO 0.02 -0.90 0.00 0.41 -0.56 0.00 0.00 175.26 174.23 3jwe n GLY 276 N 4.36 2.67 3.78 -1.50 0.00 -1.26 -4.92 105.19 108.31 3jwe n GLY 276 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3jwe n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwe s ALA 277 N -2.09 2.77 0.52 4.61 0.00 -1.07 -4.47 121.76 122.03 3jwe s ALA 277 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.79 3jwe s ALA 277 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.77 3jwe s ALA 277 CO 0.00 -0.70 0.00 0.66 0.00 0.00 0.00 175.76 175.72 3jwe n TYR 278 N -1.09 0.00 0.17 0.00 4.02 -1.26 -1.58 117.16 117.42 3jwe n TYR 278 Ca 0.10 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.92 3jwe n TYR 278 Cb 0.50 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.79 3jwe n TYR 278 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 3jwe h HIS 279 N 0.00 -0.46 -0.87 -0.72 2.76 -1.50 -3.39 115.15 110.97 3jwe h HIS 279 Ca 0.00 -0.01 -0.67 0.00 -2.20 0.00 0.00 60.37 57.49 3jwe h HIS 279 Cb 0.00 0.15 -0.08 0.00 1.55 0.00 0.00 27.41 29.03 3jwe h HIS 279 CO 0.00 -0.29 2.16 0.08 -1.30 0.00 0.00 177.93 178.58 3jwe s VAL 280 N -3.19 4.11 0.54 5.26 1.01 -0.28 -4.76 120.40 123.09 3jwe s VAL 280 Ca -0.07 -1.84 0.26 0.00 0.00 0.00 0.00 61.98 60.33 3jwe s VAL 280 Cb 0.01 -5.19 0.32 0.00 0.00 0.00 0.00 36.38 31.52 3jwe s VAL 280 CO 0.22 -2.02 2.19 -0.07 0.00 0.00 0.00 175.10 175.42 3jwe h LEU 281 N 12.60 0.00 -0.87 3.92 3.38 -1.87 -0.90 115.31 131.59 3jwe h LEU 281 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 3jwe h LEU 281 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3jwe h LEU 281 CO 1.46 0.03 -0.02 0.00 0.09 0.00 0.00 178.44 180.00 3jwe n HIS 282 N -3.95 0.00 -2.03 1.13 1.44 -1.26 -3.74 115.22 106.81 3jwe n HIS 282 Ca -0.03 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.73 3jwe n HIS 282 Cb 0.12 -0.01 0.08 0.00 0.12 0.00 0.00 29.99 30.29 3jwe n HIS 282 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3jwe n LYS 283 N 0.03 0.54 -0.07 -1.40 4.01 -0.40 -4.94 118.16 115.92 3jwe n LYS 283 Ca 0.19 -2.21 0.00 0.00 -0.51 0.00 0.00 58.31 55.78 3jwe n LYS 283 Cb 0.34 -0.66 0.00 0.00 -0.51 0.00 0.00 35.03 34.20 3jwe n LYS 283 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 3jwe n GLU 284 N -0.21 2.05 -1.97 1.97 -0.58 -0.82 -4.69 120.64 116.39 3jwe n GLU 284 Ca 0.09 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.44 3jwe n GLU 284 Cb 0.89 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.77 3jwe n GLU 284 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3jwe s LEU 285 N 0.00 4.11 0.42 -4.62 1.43 -1.26 -4.67 118.68 114.10 3jwe s LEU 285 Ca 0.00 2.70 0.27 0.00 -1.03 0.00 0.00 54.13 56.07 3jwe s LEU 285 Cb 0.00 -4.00 1.34 0.00 0.03 0.00 0.00 46.19 43.56 3jwe s LEU 285 CO 0.00 -1.05 1.66 -0.65 0.23 0.00 0.00 176.35 176.54 3jwe h PRO 286 N 2.34 0.15 -0.01 1.29 0.11 -1.98 -0.02 132.00 133.88 3jwe h PRO 286 Ca -0.50 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.61 3jwe h PRO 286 Cb 1.26 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3jwe h PRO 286 CO 0.61 0.10 -0.06 0.93 -0.21 0.00 0.00 178.00 179.37 3jwe h GLU 287 N 0.16 -0.10 0.02 1.05 3.07 -2.00 -0.82 114.58 115.96 3jwe h GLU 287 Ca 0.77 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.63 3jwe h GLU 287 Cb 2.29 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 30.23 3jwe h GLU 287 CO -0.41 -0.07 -0.01 0.28 -1.40 0.00 0.00 179.01 177.40 3jwe h VAL 288 N -0.11 1.26 -0.32 3.13 2.07 -1.39 -3.10 116.25 117.79 3jwe h VAL 288 Ca 0.03 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.69 3jwe h VAL 288 Cb 0.15 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3jwe h VAL 288 CO -0.08 0.22 0.19 0.74 0.02 0.00 0.00 177.57 178.66 3jwe h THR 289 N -0.41 1.03 -0.64 2.57 2.02 -1.29 -0.39 112.91 115.80 3jwe h THR 289 Ca -0.00 -0.13 -0.06 0.00 0.77 0.00 0.00 66.41 66.99 3jwe h THR 289 Cb 0.39 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 3jwe h THR 289 CO 0.00 0.07 0.18 0.78 0.37 0.00 0.00 175.52 176.92 3jwe h ASN 290 N 0.38 0.93 -0.08 4.18 2.35 -1.25 -1.40 115.58 120.69 3jwe h ASN 290 Ca 0.13 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3jwe h ASN 290 Cb 0.00 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.12 3jwe h ASN 290 CO -0.06 0.89 0.01 -1.28 -1.65 0.00 0.00 177.43 175.34 3jwe h SER 291 N 0.96 0.13 -0.41 5.81 0.87 -1.43 -2.13 113.55 117.35 3jwe h SER 291 Ca 0.21 -0.27 0.08 0.00 -1.23 0.00 0.00 61.79 60.58 3jwe h SER 291 Cb 0.31 -0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.16 3jwe h SER 291 CO -0.00 0.36 -0.08 0.58 -0.53 0.00 0.00 176.83 177.16 3jwe h VAL 292 N -0.12 0.62 -0.35 2.23 2.07 -0.83 0.22 116.25 120.10 3jwe h VAL 292 Ca 0.02 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 3jwe h VAL 292 Cb 0.29 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3jwe h VAL 292 CO 0.00 0.00 0.21 -0.26 0.02 0.00 0.00 177.57 177.54 3jwe h PHE 293 N 0.02 0.46 -0.55 1.57 -1.00 -1.22 -1.25 116.94 114.97 3jwe h PHE 293 Ca 0.20 -0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.90 3jwe h PHE 293 Cb 0.30 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.69 3jwe h PHE 293 CO -0.34 0.33 0.03 1.25 -1.61 0.00 0.00 178.31 177.98 3jwe h HIS 294 N 0.45 1.02 -0.43 -0.55 2.76 -0.88 -0.59 115.15 116.93 3jwe h HIS 294 Ca 0.12 -0.16 -0.02 0.00 -2.20 0.00 0.00 60.37 58.11 3jwe h HIS 294 Cb 0.01 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 28.68 3jwe h HIS 294 CO -0.04 0.92 0.20 0.93 -1.30 0.00 0.00 177.93 178.64 3jwe h GLU 295 N 0.83 0.63 -0.57 5.26 4.39 -0.34 0.10 114.58 124.88 3jwe h GLU 295 Ca 0.16 -0.10 -0.10 0.00 0.34 0.00 0.00 59.36 59.66 3jwe h GLU 295 Cb 0.49 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 3jwe h GLU 295 CO 0.02 0.55 -0.04 0.82 -1.16 0.00 0.00 179.01 179.20 3jwe h ILE 296 N 0.56 1.26 0.30 3.13 2.04 -1.17 -1.79 117.51 121.84 3jwe h ILE 296 Ca 0.15 -1.18 -0.00 0.00 1.00 0.00 0.00 64.86 64.82 3jwe h ILE 296 Cb 0.14 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3jwe h ILE 296 CO -0.02 0.42 -0.26 -1.13 0.00 0.00 0.00 178.15 177.17 3jwe h ASN 297 N 0.93 -0.68 -0.34 1.72 -0.73 -0.74 -2.06 115.58 113.68 3jwe h ASN 297 Ca 0.16 0.06 -0.01 0.00 1.87 0.00 0.00 56.30 58.38 3jwe h ASN 297 Cb 0.59 0.22 -0.02 0.00 0.27 0.00 0.00 38.32 39.39 3jwe h ASN 297 CO 0.04 -0.38 0.19 0.24 -0.37 0.00 0.00 177.43 177.15 3jwe h MET 298 N -0.57 0.47 -0.31 6.67 2.86 -0.68 -1.67 114.93 121.70 3jwe h MET 298 Ca -0.02 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 3jwe h MET 298 Cb 0.51 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 3jwe h MET 298 CO -0.03 0.38 0.12 2.35 1.06 0.00 0.00 176.91 180.80 3jwe h TRP 299 N 0.44 0.48 -0.19 -0.22 7.01 -1.31 -1.37 115.95 120.79 3jwe h TRP 299 Ca 0.12 -0.04 -0.07 0.00 2.11 0.00 0.00 58.89 61.01 3jwe h TRP 299 Cb 0.04 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 26.95 3jwe h TRP 299 CO -0.03 0.47 -0.16 0.28 -2.79 0.00 0.00 178.44 176.20 3jwe h VAL 300 N 0.36 1.33 -0.98 2.65 2.07 -1.40 -3.05 116.25 117.23 3jwe h VAL 300 Ca 0.10 -1.30 0.05 0.00 0.82 0.00 0.00 66.70 66.37 3jwe h VAL 300 Cb 0.19 1.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.66 3jwe h VAL 300 CO -0.01 0.39 0.64 0.28 0.02 0.00 0.00 177.57 178.89 3jwe h SER 301 N 0.11 1.04 0.09 0.57 0.02 -1.26 -2.12 113.55 111.99 3jwe h SER 301 Ca 0.03 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.88 3jwe h SER 301 Cb 0.69 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 3jwe h SER 301 CO 0.04 0.69 -0.34 1.56 -1.14 0.00 0.00 176.83 177.64 3jwe h GLN 302 N 1.19 0.37 -0.35 3.45 4.20 -1.28 -3.09 115.11 119.61 3jwe h GLN 302 Ca 0.40 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.95 3jwe h GLN 302 Cb 0.07 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3jwe h GLN 302 CO -0.14 0.67 0.00 0.54 -0.67 0.00 0.00 178.83 179.23 3jwe n ARG 303 N -4.07 1.90 -4.69 1.46 1.74 -0.83 -4.89 116.66 107.28 3jwe n ARG 303 Ca -0.01 -1.39 -0.31 0.00 -0.77 0.00 0.00 57.85 55.37 3jwe n ARG 303 Cb 0.45 -1.34 -0.09 0.00 -1.02 0.00 0.00 32.46 30.46 3jwe n ARG 303 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3jwe s THR 304 N -1.54 1.55 0.00 0.55 -4.23 -1.00 -5.06 115.64 105.91 3jwe s THR 304 Ca 0.28 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 3jwe s THR 304 Cb 0.15 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.45 3jwe s THR 304 CO 0.21 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.29