#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1piw s SER 2 N 0.00 1.84 0.17 3.17 0.01 -1.26 -4.92 113.70 112.71 1piw s SER 2 Ca 0.00 -1.25 0.16 0.00 1.31 0.00 0.00 55.95 56.17 1piw s SER 2 Cb 0.00 0.01 0.54 0.00 0.21 0.00 0.00 66.02 66.78 1piw s SER 2 CO 0.00 -0.54 0.48 0.00 0.41 0.00 0.00 173.24 173.59 1piw n TYR 3 N -0.45 0.00 -0.07 2.43 4.19 -1.25 -2.02 117.16 119.99 1piw n TYR 3 Ca -0.04 0.00 -0.09 0.00 3.31 0.00 0.00 57.90 61.07 1piw n TYR 3 Cb 0.64 -0.16 -0.07 0.00 0.49 0.00 0.00 39.34 40.25 1piw n TYR 3 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 1piw h PRO 4 N 0.00 0.00 0.00 2.98 0.13 -2.01 -3.41 132.00 129.69 1piw h PRO 4 Ca 0.29 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.34 1piw h PRO 4 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1piw h PRO 4 CO -0.00 0.55 -0.78 0.93 -0.23 0.00 0.00 178.00 178.47 1piw h GLU 5 N -1.00 0.00 -4.11 0.86 3.07 -1.83 -3.47 114.58 108.11 1piw h GLU 5 Ca -0.05 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.54 1piw h GLU 5 Cb 0.66 0.00 -0.27 0.00 -0.84 0.00 0.00 28.75 28.30 1piw h GLU 5 CO -0.03 0.23 -0.73 0.15 -1.40 0.00 0.00 179.01 177.23 1piw s LYS 6 N -3.09 0.28 0.06 2.33 3.01 -1.02 -4.29 119.74 117.03 1piw s LYS 6 Ca 0.02 -0.23 0.05 0.00 -1.01 0.00 0.00 55.97 54.79 1piw s LYS 6 Cb 0.08 -0.20 -0.04 0.00 -1.01 0.00 0.00 37.83 36.66 1piw s LYS 6 CO 0.76 0.05 -0.06 -0.06 0.51 0.00 0.00 175.35 176.55 1piw s PHE 7 N -0.36 2.87 0.15 3.18 2.99 0.14 -3.80 117.98 123.15 1piw s PHE 7 Ca -0.02 -0.07 0.10 0.00 0.00 0.00 0.00 56.93 56.94 1piw s PHE 7 Cb -0.03 -1.53 -0.04 0.00 0.00 0.00 0.00 43.02 41.42 1piw s PHE 7 CO -0.00 0.42 -0.21 -2.00 -0.00 0.00 0.00 175.22 173.43 1piw s GLU 8 N -1.95 1.62 -0.07 0.44 2.12 -1.26 0.50 118.70 120.10 1piw s GLU 8 Ca 0.21 -1.34 -0.31 0.00 0.36 0.00 0.00 54.97 53.89 1piw s GLU 8 Cb -0.11 -1.98 0.12 0.00 0.26 0.00 0.00 34.13 32.42 1piw s GLU 8 CO 0.13 0.44 1.17 0.20 -0.54 0.00 0.00 175.26 176.66 1piw s GLY 9 N -2.34 -0.35 -0.73 -1.50 0.00 0.16 -1.92 107.32 100.64 1piw s GLY 9 Ca 0.18 1.03 -0.24 0.00 0.00 0.00 0.00 44.72 45.69 1piw s GLY 9 CO 0.09 0.30 1.12 -0.42 0.00 0.00 0.00 173.10 174.19 1piw s ILE 10 N -2.60 4.10 -0.10 0.90 -1.09 -0.18 0.46 121.20 122.68 1piw s ILE 10 Ca 0.11 -0.16 -0.01 0.00 -2.23 0.00 0.00 60.65 58.35 1piw s ILE 10 Cb 0.01 -4.80 -0.03 0.00 -1.58 0.00 0.00 42.46 36.06 1piw s ILE 10 CO -0.04 -1.64 -0.04 0.00 -1.23 0.00 0.00 174.94 171.99 1piw s ALA 11 N 4.67 3.06 0.15 9.38 0.00 -0.43 -4.51 121.76 134.08 1piw s ALA 11 Ca 0.29 -0.85 -0.31 0.00 0.00 0.00 0.00 51.96 51.09 1piw s ALA 11 Cb -0.12 -1.38 -0.11 0.00 0.00 0.00 0.00 23.12 21.51 1piw s ALA 11 CO 0.10 0.48 1.77 0.42 0.00 0.00 0.00 175.76 178.52 1piw s ILE 12 N -0.50 2.37 -0.24 0.00 -1.09 0.48 -1.21 121.20 121.01 1piw s ILE 12 Ca 0.08 0.08 0.22 0.00 -2.23 0.00 0.00 60.65 58.80 1piw s ILE 12 Cb -0.12 -3.05 -0.18 0.00 -1.58 0.00 0.00 42.46 37.53 1piw s ILE 12 CO 0.02 0.00 0.79 0.00 -1.23 0.00 0.00 174.94 174.53 1piw n GLN 13 N 4.95 0.55 -3.63 2.79 1.13 -1.26 -2.04 117.38 119.87 1piw n GLN 13 Ca 0.17 -0.04 -0.08 0.00 -1.94 0.00 0.00 57.00 55.10 1piw n GLN 13 Cb 0.37 -1.64 -0.06 0.00 0.11 0.00 0.00 30.24 29.02 1piw n GLN 13 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1piw s SER 14 N -4.65 -0.34 0.00 1.08 1.04 -1.26 -4.87 113.70 104.70 1piw s SER 14 Ca -0.03 0.57 0.03 0.00 0.48 0.00 0.00 55.95 57.00 1piw s SER 14 Cb 0.13 0.55 0.18 0.00 0.10 0.00 0.00 66.02 66.97 1piw s SER 14 CO 0.85 -0.17 0.55 1.41 0.98 0.00 0.00 173.24 176.86 1piw n HIS 15 N 1.64 0.00 -0.06 5.02 8.25 -1.26 -1.99 115.22 126.81 1piw n HIS 15 Ca -0.11 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.28 1piw n HIS 15 Cb 0.57 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.60 1piw n HIS 15 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1piw n GLU 16 N -0.84 1.21 -1.07 -0.41 4.71 -1.26 -4.37 120.64 118.61 1piw n GLU 16 Ca 0.02 0.04 -0.21 0.00 -0.01 0.00 0.00 57.16 57.00 1piw n GLU 16 Cb 0.01 -1.27 0.15 0.00 -1.01 0.00 0.00 31.44 29.32 1piw n GLU 16 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1piw n ASP 17 N -2.67 3.84 0.14 1.62 4.64 -0.85 -4.62 116.55 118.65 1piw n ASP 17 Ca -0.21 -3.40 0.17 0.00 -1.38 0.00 0.00 54.79 49.97 1piw n ASP 17 Cb 0.80 -0.80 0.77 0.00 -1.04 0.00 0.00 41.12 40.84 1piw n ASP 17 CO 0.00 0.00 0.00 4.11 -0.82 0.00 0.00 177.20 180.49 1piw h TRP 18 N 0.91 0.00 -0.00 -0.67 5.08 -1.60 -0.47 115.95 119.20 1piw h TRP 18 Ca 0.55 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.52 1piw h TRP 18 Cb 2.53 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 28.69 1piw h TRP 18 CO 1.38 0.00 0.00 1.63 -1.28 0.00 0.00 178.44 180.17 1piw n LYS 19 N -4.01 1.02 -3.14 0.12 5.02 -1.26 -4.15 118.16 111.76 1piw n LYS 19 Ca 0.04 -0.03 -0.22 0.00 -2.02 0.00 0.00 58.31 56.08 1piw n LYS 19 Cb 0.41 -1.33 -0.04 0.00 -0.02 0.00 0.00 35.03 34.05 1piw n LYS 19 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1piw n ASN 20 N -0.80 1.99 -4.70 4.39 4.13 -0.19 -4.51 115.26 115.57 1piw n ASN 20 Ca 0.16 -3.19 -0.39 0.00 1.68 0.00 0.00 54.58 52.84 1piw n ASN 20 Cb 0.08 -0.61 0.04 0.00 -1.54 0.00 0.00 39.78 37.75 1piw n ASN 20 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1piw n PRO 21 N 0.32 1.46 -4.96 3.52 -0.02 -1.26 -4.75 135.00 129.31 1piw n PRO 21 Ca 0.27 0.54 -0.31 0.00 -2.02 0.00 0.00 63.50 61.98 1piw n PRO 21 Cb 0.55 -2.44 -0.14 0.00 -0.02 0.00 0.00 33.50 31.45 1piw n PRO 21 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1piw s LYS 22 N -2.80 2.15 0.22 -0.52 -0.14 -0.35 -4.66 119.74 113.65 1piw s LYS 22 Ca 0.72 -0.91 -0.32 0.00 -1.36 0.00 0.00 55.97 54.10 1piw s LYS 22 Cb -0.43 -2.16 -0.13 0.00 -1.68 0.00 0.00 37.83 33.44 1piw s LYS 22 CO 0.49 0.56 1.58 1.17 -0.76 0.00 0.00 175.35 178.39 1piw n LYS 23 N 2.06 2.41 -3.76 1.68 4.81 -1.26 -1.32 118.16 122.78 1piw n LYS 23 Ca -0.16 0.86 -0.13 0.00 -0.87 0.00 0.00 58.31 58.01 1piw n LYS 23 Cb 0.52 -2.63 -0.09 0.00 0.02 0.00 0.00 35.03 32.84 1piw n LYS 23 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1piw s THR 24 N 0.55 0.04 -0.06 3.15 2.01 0.17 -4.89 115.64 116.61 1piw s THR 24 Ca 0.72 -0.32 -0.05 0.00 0.31 0.00 0.00 61.69 62.36 1piw s THR 24 Cb -0.59 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 1piw s THR 24 CO 0.41 -0.17 0.16 -0.54 -0.69 0.00 0.00 174.62 173.79 1piw s LYS 25 N -0.83 3.44 -0.00 4.92 1.02 -1.26 0.37 119.74 127.41 1piw s LYS 25 Ca -0.09 -0.23 -0.21 0.00 0.02 0.00 0.00 55.97 55.46 1piw s LYS 25 Cb -0.04 -3.14 0.04 0.00 -0.52 0.00 0.00 37.83 34.17 1piw s LYS 25 CO 0.03 0.73 0.46 1.52 -0.92 0.00 0.00 175.35 177.16 1piw s TYR 26 N -1.18 -0.35 0.22 3.18 -0.85 0.18 -4.96 117.35 113.59 1piw s TYR 26 Ca 0.21 0.50 -0.31 0.00 -0.52 0.00 0.00 57.07 56.96 1piw s TYR 26 Cb -0.12 0.24 -0.11 0.00 0.38 0.00 0.00 41.96 42.35 1piw s TYR 26 CO 0.12 -0.52 1.56 -0.51 -1.52 0.00 0.00 175.55 174.67 1piw s ASP 27 N -1.54 6.53 1.01 -0.18 -0.00 -1.26 -0.68 116.67 120.55 1piw s ASP 27 Ca -0.10 2.73 -0.13 0.00 -0.00 0.00 0.00 52.55 55.05 1piw s ASP 27 Cb -0.02 -2.61 0.19 0.00 -0.00 0.00 0.00 42.92 40.48 1piw s ASP 27 CO 0.03 -0.83 1.11 -2.84 -0.00 0.00 0.00 175.17 172.65 1piw s PRO 28 N 0.40 0.35 0.65 8.23 0.02 -1.26 -4.86 135.00 138.52 1piw s PRO 28 Ca 0.66 0.34 -0.12 0.00 0.02 0.00 0.00 61.00 61.91 1piw s PRO 28 Cb -0.45 -1.74 -0.02 0.00 0.02 0.00 0.00 34.50 32.31 1piw s PRO 28 CO 0.38 -2.75 1.04 -1.59 -0.33 0.00 0.00 177.00 173.76 1piw s LYS 29 N -5.12 3.27 0.44 5.54 -2.85 -1.26 -4.95 119.74 114.81 1piw s LYS 29 Ca 0.66 0.90 -0.25 0.00 -1.00 0.00 0.00 55.97 56.27 1piw s LYS 29 Cb -0.16 -2.03 -0.09 0.00 -2.06 0.00 0.00 37.83 33.49 1piw s LYS 29 CO 0.56 -0.83 1.40 -0.35 0.10 0.00 0.00 175.35 176.23 1piw n PRO 30 N -2.82 2.19 -2.82 1.78 -0.04 -1.26 -4.91 135.00 127.12 1piw n PRO 30 Ca 0.07 0.78 -0.42 0.00 -0.04 0.00 0.00 63.50 63.89 1piw n PRO 30 Cb 0.54 -2.58 -0.03 0.00 -0.04 0.00 0.00 33.50 31.38 1piw n PRO 30 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1piw s PHE 31 N -1.19 3.45 0.27 0.54 5.99 -1.26 -5.05 117.98 120.73 1piw s PHE 31 Ca 0.61 1.37 0.09 0.00 0.00 0.00 0.00 56.93 59.00 1piw s PHE 31 Cb -0.46 -3.08 -0.04 0.00 0.00 0.00 0.00 43.02 39.44 1piw s PHE 31 CO 0.58 -0.24 0.08 0.71 -0.00 0.00 0.00 175.22 176.34 1piw s TYR 32 N 2.15 2.81 0.49 10.12 4.12 -1.26 -5.01 117.35 130.77 1piw s TYR 32 Ca 0.42 -0.22 0.42 0.00 0.02 0.00 0.00 57.07 57.71 1piw s TYR 32 Cb -0.17 -1.33 1.57 0.00 -1.52 0.00 0.00 41.96 40.51 1piw s TYR 32 CO 0.14 0.54 1.49 -0.25 0.02 0.00 0.00 175.55 177.49 1piw n ASP 33 N -1.02 0.08 -0.00 2.29 10.43 -1.26 -0.71 116.55 126.36 1piw n ASP 33 Ca -0.06 1.10 0.04 0.00 2.57 0.00 0.00 54.79 58.43 1piw n ASP 33 Cb 0.59 -0.54 -0.05 0.00 1.84 0.00 0.00 41.12 42.96 1piw n ASP 33 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 1piw n HIS 34 N -4.14 0.00 -0.91 1.24 8.25 -1.26 -0.22 115.22 118.18 1piw n HIS 34 Ca 0.41 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.54 1piw n HIS 34 Cb 1.77 -0.03 0.13 0.00 1.12 0.00 0.00 29.99 32.98 1piw n HIS 34 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1piw n ASP 35 N -1.27 -0.32 -3.97 0.41 8.00 0.11 -1.09 116.55 118.42 1piw n ASP 35 Ca 0.01 0.46 -0.14 0.00 0.71 0.00 0.00 54.79 55.83 1piw n ASP 35 Cb 0.13 -1.38 -0.14 0.00 -0.02 0.00 0.00 41.12 39.72 1piw n ASP 35 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1piw s ILE 36 N -2.33 0.36 -0.20 0.53 1.01 0.21 -1.61 121.20 119.17 1piw s ILE 36 Ca 0.66 -0.41 -0.08 0.00 0.00 0.00 0.00 60.65 60.82 1piw s ILE 36 Cb -0.26 -0.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 1piw s ILE 36 CO 0.58 -0.04 0.08 -1.81 0.00 0.00 0.00 174.94 173.76 1piw s ASP 37 N -0.49 5.67 -0.11 3.58 1.11 -0.67 -0.80 116.67 124.96 1piw s ASP 37 Ca -0.02 0.05 0.03 0.00 0.18 0.00 0.00 52.55 52.79 1piw s ASP 37 Cb -0.04 -1.99 -0.00 0.00 1.07 0.00 0.00 42.92 41.96 1piw s ASP 37 CO -0.00 0.13 -0.20 -0.63 1.18 0.00 0.00 175.17 175.64 1piw s ILE 38 N 0.65 2.36 -0.29 0.77 1.01 -0.25 -0.01 121.20 125.44 1piw s ILE 38 Ca 0.04 -0.91 -0.18 0.00 0.00 0.00 0.00 60.65 59.61 1piw s ILE 38 Cb -0.13 -1.94 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 1piw s ILE 38 CO 0.01 0.55 0.52 -0.75 0.00 0.00 0.00 174.94 175.27 1piw s LYS 39 N 0.40 3.95 0.61 2.79 2.20 -0.45 -1.20 119.74 128.04 1piw s LYS 39 Ca -0.15 0.19 -0.16 0.00 -0.36 0.00 0.00 55.97 55.49 1piw s LYS 39 Cb -0.17 -3.70 -0.02 0.00 -1.51 0.00 0.00 37.83 32.43 1piw s LYS 39 CO 0.07 -0.43 1.09 0.42 -0.36 0.00 0.00 175.35 176.14 1piw s ILE 40 N 2.34 3.46 0.00 5.43 1.01 -0.70 -1.29 121.20 131.45 1piw s ILE 40 Ca 0.21 0.72 0.00 0.00 0.00 0.00 0.00 60.65 61.57 1piw s ILE 40 Cb -0.15 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.08 1piw s ILE 40 CO 0.10 -0.38 0.00 -1.84 0.00 0.00 0.00 174.94 172.82 1piw n GLU 41 N -2.08 2.45 -3.62 2.79 0.28 -0.17 -4.76 120.64 115.53 1piw n GLU 41 Ca 0.10 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 57.00 1piw n GLU 41 Cb 0.52 -0.25 -0.07 0.00 1.43 0.00 0.00 31.44 33.08 1piw n GLU 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1piw s ALA 42 N -0.20 -1.94 -0.06 -1.84 0.00 -0.72 -4.34 121.76 112.65 1piw s ALA 42 Ca 0.00 1.81 -0.07 0.00 0.00 0.00 0.00 51.96 53.70 1piw s ALA 42 Cb 0.00 -1.20 0.02 0.00 0.00 0.00 0.00 23.12 21.94 1piw s ALA 42 CO 0.00 -0.27 0.19 0.00 0.00 0.00 0.00 175.76 175.68 1piw s GLY 44 N -0.04 2.46 -0.46 0.00 0.00 -0.11 0.12 107.32 109.31 1piw s GLY 44 Ca -0.01 -0.19 -0.27 0.00 0.00 0.00 0.00 44.72 44.25 1piw s GLY 44 CO 0.00 0.41 1.02 0.14 0.00 0.00 0.00 173.10 174.67 1piw s VAL 45 N -0.44 4.37 0.03 1.40 1.01 -0.42 -4.12 120.40 122.23 1piw s VAL 45 Ca 0.25 1.03 0.01 0.00 0.00 0.00 0.00 61.98 63.26 1piw s VAL 45 Cb -0.16 -4.50 -0.04 0.00 0.00 0.00 0.00 36.38 31.68 1piw s VAL 45 CO 0.13 -0.87 0.09 0.00 0.00 0.00 0.00 175.10 174.44 1piw h GLY 47 N 3.77 1.59 1.06 0.00 0.00 -1.99 0.68 103.07 108.18 1piw h GLY 47 Ca -0.48 -0.24 0.05 0.00 0.00 0.00 0.00 47.33 46.66 1piw h GLY 47 CO 0.64 -0.24 0.50 1.76 0.00 0.00 0.00 176.54 179.21 1piw h SER 48 N 0.44 0.76 -0.88 0.19 0.02 -1.97 -0.23 113.55 111.88 1piw h SER 48 Ca 0.65 -0.00 0.13 0.00 -0.84 0.00 0.00 61.79 61.72 1piw h SER 48 Cb 1.50 -0.17 -0.09 0.00 0.14 0.00 0.00 62.40 63.78 1piw h SER 48 CO -0.41 0.51 0.50 0.44 -1.14 0.00 0.00 176.83 176.73 1piw h ASP 49 N 0.88 0.68 0.49 3.07 3.32 -0.02 -1.37 116.42 123.47 1piw h ASP 49 Ca 0.32 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.41 1piw h ASP 49 Cb 0.15 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1piw h ASP 49 CO -0.10 0.34 -0.24 0.40 -1.72 0.00 0.00 179.24 177.92 1piw h ILE 50 N 0.77 0.03 -0.86 0.35 1.08 -1.01 -2.28 117.51 115.58 1piw h ILE 50 Ca 0.45 -0.52 0.19 0.00 -0.39 0.00 0.00 64.86 64.60 1piw h ILE 50 Cb 0.53 0.04 -0.16 0.00 -3.07 0.00 0.00 36.82 34.17 1piw h ILE 50 CO -0.30 0.01 -0.10 0.45 -0.69 0.00 0.00 178.15 177.51 1piw h HIS 51 N -1.17 -0.26 0.47 1.37 3.86 -1.21 0.16 115.15 118.38 1piw h HIS 51 Ca -0.07 0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1piw h HIS 51 Cb 0.51 0.25 0.00 0.00 1.06 0.00 0.00 27.41 29.24 1piw h HIS 51 CO 0.00 -0.35 -0.23 0.00 0.86 0.00 0.00 177.93 178.22 1piw h ALA 53 N -0.37 1.38 0.00 0.00 0.00 -0.70 0.86 119.26 120.43 1piw h ALA 53 Ca -0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1piw h ALA 53 Cb 0.56 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1piw h ALA 53 CO 0.11 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.90 1piw n ALA 54 N -2.42 2.33 -1.43 0.00 0.00 0.47 -4.44 120.51 115.02 1piw n ALA 54 Ca 0.09 -0.14 -0.09 0.00 0.00 0.00 0.00 53.44 53.29 1piw n ALA 54 Cb 0.05 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.09 1piw n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1piw n GLY 55 N 0.46 0.91 0.25 0.00 0.00 0.29 -4.89 105.19 102.21 1piw n GLY 55 Ca 0.16 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.72 1piw n GLY 55 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1piw h HIS 56 N 0.00 0.00 -0.30 1.61 3.86 0.02 -2.79 115.15 117.55 1piw h HIS 56 Ca -0.20 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 1piw h HIS 56 Cb 0.71 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.18 1piw h HIS 56 CO 0.26 0.15 0.00 0.91 0.86 0.00 0.00 177.93 180.11 1piw n TRP 57 N -3.48 0.38 0.00 2.45 8.01 -1.23 -1.90 117.44 121.67 1piw n TRP 57 Ca -0.01 -0.19 0.00 0.00 -1.31 0.00 0.00 57.50 55.99 1piw n TRP 57 Cb 0.31 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.61 1piw n TRP 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1piw n GLY 58 N 1.40 2.54 3.60 6.99 0.00 -1.05 -4.93 105.19 113.73 1piw n GLY 58 Ca 0.18 -2.12 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 1piw n GLY 58 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1piw s ASN 59 N 0.00 5.95 -0.03 1.61 2.47 -1.26 -4.70 114.94 118.98 1piw s ASN 59 Ca 0.00 1.11 -0.15 0.00 0.42 0.00 0.00 52.86 54.24 1piw s ASN 59 Cb 0.00 -2.53 -0.05 0.00 -1.45 0.00 0.00 41.25 37.22 1piw s ASN 59 CO 0.00 -1.70 0.40 -0.04 -3.72 0.00 0.00 177.10 172.05 1piw s MET 60 N 5.59 3.98 0.28 0.43 -1.94 -1.26 -5.05 119.30 121.34 1piw s MET 60 Ca 0.74 0.39 -0.30 0.00 -1.71 0.00 0.00 55.69 54.81 1piw s MET 60 Cb -0.20 -3.26 -0.12 0.00 2.01 0.00 0.00 34.83 33.27 1piw s MET 60 CO 0.32 0.61 1.61 1.17 -0.01 0.00 0.00 175.02 178.72 1piw n LYS 61 N 2.14 2.69 -4.14 2.03 4.81 -1.26 -4.96 118.16 119.46 1piw n LYS 61 Ca -0.13 0.96 -0.27 0.00 -0.87 0.00 0.00 58.31 58.00 1piw n LYS 61 Cb 0.52 -2.75 -0.07 0.00 0.02 0.00 0.00 35.03 32.76 1piw n LYS 61 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1piw s MET 62 N -0.32 2.64 1.12 1.64 -1.94 -1.26 -4.40 119.30 116.77 1piw s MET 62 Ca 0.65 -0.98 -0.16 0.00 -1.71 0.00 0.00 55.69 53.49 1piw s MET 62 Cb -0.50 -2.50 0.25 0.00 2.01 0.00 0.00 34.83 34.09 1piw s MET 62 CO 0.47 0.47 1.09 -2.14 -0.01 0.00 0.00 175.02 174.90 1piw s PRO 63 N -2.96 -0.59 -0.18 2.03 0.02 -1.26 -5.13 135.00 126.93 1piw s PRO 63 Ca 0.29 0.23 -0.06 0.00 0.02 0.00 0.00 61.00 61.48 1piw s PRO 63 Cb -0.10 -1.64 0.08 0.00 0.02 0.00 0.00 34.50 32.86 1piw s PRO 63 CO 0.21 -3.35 0.38 -1.17 -0.33 0.00 0.00 177.00 172.73 1piw s LEU 64 N -6.79 -0.54 -0.15 -5.54 2.96 -0.87 -4.93 118.68 102.82 1piw s LEU 64 Ca 0.68 0.89 -0.16 0.00 -0.22 0.00 0.00 54.13 55.32 1piw s LEU 64 Cb -0.15 1.19 -0.04 0.00 0.50 0.00 0.00 46.19 47.69 1piw s LEU 64 CO 0.57 -0.23 0.40 -0.69 -1.32 0.00 0.00 176.35 175.08 1piw s VAL 65 N 2.52 5.23 0.30 1.68 1.01 -1.26 -0.38 120.40 129.49 1piw s VAL 65 Ca -0.01 0.77 0.02 0.00 0.00 0.00 0.00 61.98 62.76 1piw s VAL 65 Cb -0.12 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.54 1piw s VAL 65 CO -0.12 0.32 0.18 0.52 0.00 0.00 0.00 175.10 176.01 1piw n VAL 66 N 3.83 0.00 -0.01 2.92 0.31 -1.26 -4.44 118.33 119.68 1piw n VAL 66 Ca -0.09 -1.22 0.00 0.00 -0.01 0.00 0.00 64.34 63.02 1piw n VAL 66 Cb 0.51 -0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 1piw n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1piw n GLY 67 N 1.41 1.30 2.74 2.92 0.00 -1.26 -0.06 105.19 112.24 1piw n GLY 67 Ca -0.03 -1.28 -0.03 0.00 0.00 0.00 0.00 46.02 44.68 1piw n GLY 67 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1piw n HIS 68 N 2.85 0.10 -3.16 1.61 1.44 -1.26 -3.89 115.22 112.91 1piw n HIS 68 Ca 0.00 -2.19 -0.20 0.00 -2.01 0.00 0.00 57.72 53.32 1piw n HIS 68 Cb 0.00 0.32 -0.03 0.00 0.12 0.00 0.00 29.99 30.40 1piw n HIS 68 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1piw n GLU 69 N -0.66 1.28 -2.92 -1.40 1.02 -1.26 -2.86 120.64 113.85 1piw n GLU 69 Ca 0.01 -3.59 -0.40 0.00 -0.02 0.00 0.00 57.16 53.16 1piw n GLU 69 Cb 0.83 -1.75 -0.05 0.00 -0.02 0.00 0.00 31.44 30.45 1piw n GLU 69 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1piw s ILE 70 N -2.62 4.69 -0.06 -3.67 1.01 -0.12 -0.93 121.20 119.50 1piw s ILE 70 Ca 0.41 1.74 0.01 0.00 0.00 0.00 0.00 60.65 62.81 1piw s ILE 70 Cb 0.33 -4.17 0.02 0.00 0.01 0.00 0.00 42.46 38.65 1piw s ILE 70 CO -0.09 0.34 -0.05 -0.69 0.00 0.00 0.00 174.94 174.45 1piw s VAL 71 N 0.01 0.64 0.01 2.92 1.01 0.00 0.16 120.40 125.15 1piw s VAL 71 Ca 0.41 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 1piw s VAL 71 Cb -0.21 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.51 1piw s VAL 71 CO 0.25 0.26 0.04 0.61 0.00 0.00 0.00 175.10 176.26 1piw n GLY 72 N 4.21 1.38 3.79 4.51 0.00 -0.59 -1.00 105.19 117.48 1piw n GLY 72 Ca -0.21 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 1piw n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1piw s LYS 73 N -2.00 3.19 0.16 1.61 3.01 -0.41 -0.28 119.74 125.02 1piw s LYS 73 Ca 0.01 -0.33 -0.31 0.00 -1.01 0.00 0.00 55.97 54.33 1piw s LYS 73 Cb -0.00 -2.96 -0.09 0.00 -1.01 0.00 0.00 37.83 33.76 1piw s LYS 73 CO 0.00 0.71 1.47 0.08 0.51 0.00 0.00 175.35 178.13 1piw s VAL 74 N -1.04 2.89 -0.06 3.17 1.01 0.06 -1.34 120.40 125.09 1piw s VAL 74 Ca 0.17 0.66 0.03 0.00 0.00 0.00 0.00 61.98 62.84 1piw s VAL 74 Cb -0.12 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1piw s VAL 74 CO 0.07 0.06 0.08 0.55 0.00 0.00 0.00 175.10 175.86 1piw n VAL 75 N 3.64 0.00 -3.64 2.92 3.14 0.98 0.64 118.33 126.01 1piw n VAL 75 Ca 0.12 -0.25 -0.08 0.00 -2.96 0.00 0.00 64.34 61.16 1piw n VAL 75 Cb 0.40 0.72 -0.07 0.00 -1.06 0.00 0.00 33.84 33.83 1piw n VAL 75 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1piw s LYS 76 N -1.71 0.42 0.03 1.45 2.20 -1.18 -4.95 119.74 116.00 1piw s LYS 76 Ca 0.00 0.48 0.05 0.00 -0.36 0.00 0.00 55.97 56.14 1piw s LYS 76 Cb 0.02 0.21 -0.03 0.00 -1.51 0.00 0.00 37.83 36.51 1piw s LYS 76 CO 0.11 -0.05 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.44 1piw s LEU 77 N 0.14 3.04 0.58 5.43 1.43 -1.26 -1.67 118.68 126.38 1piw s LEU 77 Ca 0.04 -0.24 -0.18 0.00 -1.03 0.00 0.00 54.13 52.72 1piw s LEU 77 Cb -0.05 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 1piw s LEU 77 CO -0.08 0.26 1.13 -0.83 0.23 0.00 0.00 176.35 177.05 1piw s GLY 78 N -1.57 2.48 0.12 -3.19 0.00 -0.63 -4.94 107.32 99.59 1piw s GLY 78 Ca 0.18 0.74 -0.26 0.00 0.00 0.00 0.00 44.72 45.37 1piw s GLY 78 CO 0.08 1.09 1.44 -2.55 0.00 0.00 0.00 173.10 173.17 1piw h PRO 79 N 0.80 -0.12 -1.28 2.90 0.11 -1.75 -0.22 132.00 132.44 1piw h PRO 79 Ca -0.49 0.01 -0.26 0.00 0.11 0.00 0.00 66.00 65.37 1piw h PRO 79 Cb 1.26 0.03 -0.13 0.00 0.11 0.00 0.00 31.00 32.26 1piw h PRO 79 CO 0.56 -0.08 0.34 1.63 -0.21 0.00 0.00 178.00 180.23 1piw n LYS 80 N -4.86 1.64 -1.09 1.05 5.02 0.69 -4.96 118.16 115.66 1piw n LYS 80 Ca -0.00 -1.38 -0.29 0.00 -2.02 0.00 0.00 58.31 54.62 1piw n LYS 80 Cb 0.24 -1.54 0.17 0.00 -0.02 0.00 0.00 35.03 33.88 1piw n LYS 80 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1piw s SER 81 N 0.16 2.69 0.00 4.39 0.15 -0.10 -4.69 113.70 116.31 1piw s SER 81 Ca 0.27 1.35 0.00 0.00 0.70 0.00 0.00 55.95 58.27 1piw s SER 81 Cb 0.22 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 1piw s SER 81 CO 0.02 -3.11 0.00 -0.46 1.20 0.00 0.00 173.24 170.89 1piw n ASN 82 N -4.18 0.00 -0.05 5.45 2.04 -1.26 -5.05 115.26 112.21 1piw n ASN 82 Ca 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.20 1piw n ASN 82 Cb 0.56 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.81 1piw n ASN 82 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 1piw n SER 83 N 0.00 0.00 0.00 0.53 3.41 -1.26 -4.96 113.62 111.34 1piw n SER 83 Ca 0.00 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1piw n SER 83 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1piw n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1piw n GLY 84 N 0.00 1.99 3.66 5.00 0.00 -1.26 -4.92 105.19 109.66 1piw n GLY 84 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1piw n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1piw n LEU 85 N 0.00 4.01 -4.28 0.99 4.77 -1.26 -4.93 117.00 116.29 1piw n LEU 85 Ca 0.00 0.91 -0.32 0.00 -0.03 0.00 0.00 56.01 56.56 1piw n LEU 85 Cb 0.00 -1.49 -0.16 0.00 -2.33 0.00 0.00 43.42 39.44 1piw n LEU 85 CO 0.00 0.14 -0.53 -0.54 -1.33 0.00 0.00 177.39 175.13 1piw s LYS 86 N 4.43 3.00 -0.11 3.23 -0.14 -1.26 -5.00 119.74 123.89 1piw s LYS 86 Ca 0.90 -0.82 -0.41 0.00 -1.36 0.00 0.00 55.97 54.27 1piw s LYS 86 Cb -0.49 -2.36 -0.20 0.00 -1.68 0.00 0.00 37.83 33.10 1piw s LYS 86 CO 0.44 0.26 1.19 0.28 -0.76 0.00 0.00 175.35 176.76 1piw n VAL 87 N 3.33 0.00 0.00 3.17 0.31 -1.26 -0.40 118.33 123.48 1piw n VAL 87 Ca -0.18 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1piw n VAL 87 Cb 0.53 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 33.33 1piw n VAL 87 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1piw n GLY 88 N 2.05 3.23 3.76 2.92 0.00 0.21 -4.91 105.19 112.44 1piw n GLY 88 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 1piw n GLY 88 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1piw s GLN 89 N -0.75 3.52 -0.59 1.61 0.74 0.47 -4.52 119.66 120.14 1piw s GLN 89 Ca 0.00 2.06 -0.21 0.00 0.05 0.00 0.00 55.36 57.26 1piw s GLN 89 Cb 0.00 -2.41 0.07 0.00 1.10 0.00 0.00 33.01 31.78 1piw s GLN 89 CO 0.00 -0.83 0.82 0.50 -0.55 0.00 0.00 175.29 175.23 1piw s ARG 90 N -2.71 3.12 0.55 1.67 3.52 -1.26 -0.76 118.95 123.09 1piw s ARG 90 Ca 0.66 -0.90 0.05 0.00 -0.13 0.00 0.00 55.73 55.41 1piw s ARG 90 Cb -0.36 -4.19 0.05 0.00 -1.56 0.00 0.00 34.95 28.90 1piw s ARG 90 CO 0.43 -1.58 0.43 1.33 -0.81 0.00 0.00 175.30 175.11 1piw n VAL 91 N 5.80 0.00 -3.91 7.11 0.24 0.62 -1.36 118.33 126.82 1piw n VAL 91 Ca -0.05 -2.17 -0.10 0.00 -2.04 0.00 0.00 64.34 59.98 1piw n VAL 91 Cb 0.45 -0.05 -0.10 0.00 -1.47 0.00 0.00 33.84 32.67 1piw n VAL 91 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1piw s GLY 92 N -4.26 0.12 -0.03 7.63 0.00 0.23 -1.55 107.32 109.46 1piw s GLY 92 Ca 0.33 -0.30 0.02 0.00 0.00 0.00 0.00 44.72 44.76 1piw s GLY 92 CO 0.21 -0.41 -0.07 0.14 0.00 0.00 0.00 173.10 172.97 1piw s VAL 93 N -1.37 0.66 0.00 1.40 1.01 0.12 -0.17 120.40 122.06 1piw s VAL 93 Ca -0.15 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1piw s VAL 93 Cb -0.08 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.68 1piw s VAL 93 CO 0.01 0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1piw n GLY 94 N 3.59 2.69 0.18 4.51 0.00 -1.26 -0.95 105.19 113.96 1piw n GLY 94 Ca -0.21 -1.74 -0.16 0.00 0.00 0.00 0.00 46.02 43.91 1piw n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1piw h ALA 95 N -0.53 0.24 -2.19 4.61 0.00 -1.61 -3.43 119.26 116.35 1piw h ALA 95 Ca 0.00 -0.52 -0.47 0.00 0.00 0.00 0.00 54.91 53.92 1piw h ALA 95 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1piw h ALA 95 CO 0.00 0.45 0.30 -1.14 0.00 0.00 0.00 179.25 178.86 1piw s GLN 96 N -3.74 3.99 0.00 0.00 0.74 -1.26 0.04 119.66 119.43 1piw s GLN 96 Ca -0.12 0.89 0.00 0.00 0.05 0.00 0.00 55.36 56.18 1piw s GLN 96 Cb 0.06 -2.22 0.00 0.00 1.10 0.00 0.00 33.01 31.96 1piw s GLN 96 CO 0.84 -0.13 0.00 1.55 -0.55 0.00 0.00 175.29 177.00 1piw n VAL 97 N -1.19 0.00 -3.56 1.34 3.14 -0.29 -4.66 118.33 113.11 1piw n VAL 97 Ca 0.06 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.34 1piw n VAL 97 Cb 0.54 1.77 -0.04 0.00 -1.06 0.00 0.00 33.84 35.04 1piw n VAL 97 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 1piw s PHE 98 N 0.00 -0.36 0.03 1.45 5.36 -1.20 -4.16 117.98 119.11 1piw s PHE 98 Ca 0.00 0.53 -0.28 0.00 -0.96 0.00 0.00 56.93 56.23 1piw s PHE 98 Cb 0.00 0.47 0.07 0.00 -0.34 0.00 0.00 43.02 43.22 1piw s PHE 98 CO 0.00 -0.38 0.64 0.45 -1.46 0.00 0.00 175.22 174.47 1piw s SER 99 N -1.42 -0.62 0.62 6.13 0.15 -1.26 -2.68 113.70 114.62 1piw s SER 99 Ca -0.00 0.43 0.40 0.00 0.70 0.00 0.00 55.95 57.48 1piw s SER 99 Cb -0.01 0.56 2.02 0.00 -1.71 0.00 0.00 66.02 66.88 1piw s SER 99 CO -0.01 -0.75 2.22 0.00 1.20 0.00 0.00 173.24 175.91 1piw n LEU 101 N -3.10 -0.52 0.00 0.00 4.77 -1.26 -4.69 117.00 112.20 1piw n LEU 101 Ca -0.02 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1piw n LEU 101 Cb 0.16 -2.18 0.00 0.00 -2.33 0.00 0.00 43.42 39.07 1piw n LEU 101 CO 0.23 -0.80 -0.23 -0.62 -1.33 0.00 0.00 177.39 174.65 1piw n GLU 102 N -1.12 2.57 -1.17 3.23 1.02 -1.26 -4.76 120.64 119.15 1piw n GLU 102 Ca -0.11 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.74 1piw n GLU 102 Cb 0.47 -0.73 0.14 0.00 -0.02 0.00 0.00 31.44 31.30 1piw n GLU 102 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1piw h ASP 104 N -1.57 -0.68 -0.96 0.00 3.45 -1.98 -1.08 116.42 113.60 1piw h ASP 104 Ca -0.49 0.13 0.22 0.00 0.43 0.00 0.00 57.03 57.32 1piw h ASP 104 Cb 1.28 0.33 -0.12 0.00 -0.56 0.00 0.00 39.33 40.26 1piw h ASP 104 CO 0.54 -0.25 0.53 0.03 -1.57 0.00 0.00 179.24 178.51 1piw h ARG 105 N -0.22 0.54 0.14 3.56 3.08 -1.91 0.34 114.38 119.91 1piw h ARG 105 Ca 0.13 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1piw h ARG 105 Cb 0.42 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1piw h ARG 105 CO -0.36 0.36 -0.07 0.00 -1.07 0.00 0.00 179.97 178.83 1piw h LYS 107 N -0.56 0.00 -0.50 0.00 1.57 -0.40 -1.42 116.57 115.27 1piw h LYS 107 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1piw h LYS 107 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1piw h LYS 107 CO 0.03 0.00 0.00 -1.71 -0.57 0.00 0.00 179.45 177.20 1piw n ASN 108 N -2.62 4.99 -3.23 0.86 2.85 0.11 -4.96 115.26 113.26 1piw n ASN 108 Ca -0.00 -2.84 -0.15 0.00 -0.11 0.00 0.00 54.58 51.48 1piw n ASN 108 Cb 0.17 -0.61 0.08 0.00 1.24 0.00 0.00 39.78 40.65 1piw n ASN 108 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1piw n ASP 109 N 0.40 -4.19 -2.30 1.20 8.00 -0.53 -4.95 116.55 114.18 1piw n ASP 109 Ca 0.25 -0.63 0.01 0.00 0.71 0.00 0.00 54.79 55.13 1piw n ASP 109 Cb 1.04 -4.93 0.04 0.00 -0.02 0.00 0.00 41.12 37.25 1piw n ASP 109 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1piw n ASN 110 N -3.08 0.98 0.26 -2.24 3.02 0.20 -4.73 115.26 109.67 1piw n ASN 110 Ca -0.17 -2.03 0.18 0.00 -0.03 0.00 0.00 54.58 52.52 1piw n ASN 110 Cb 0.64 -0.27 0.94 0.00 -0.61 0.00 0.00 39.78 40.48 1piw n ASN 110 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1piw h GLU 111 N 1.81 0.00 0.00 3.52 9.09 -1.80 0.11 114.58 127.31 1piw h GLU 111 Ca -0.22 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.19 1piw h GLU 111 Cb 1.48 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.58 1piw h GLU 111 CO 0.10 0.00 0.00 -1.35 0.05 0.00 0.00 179.01 177.81 1piw h PRO 112 N 0.00 0.00 -0.42 1.06 0.11 -1.91 -2.63 132.00 128.21 1piw h PRO 112 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 1piw h PRO 112 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 1piw h PRO 112 CO 0.00 0.00 0.05 0.66 -0.21 0.00 0.00 178.00 178.50 1piw n TYR 113 N -3.04 1.47 -2.60 0.65 4.02 0.38 -4.91 117.16 113.13 1piw n TYR 113 Ca 0.01 -1.01 -0.34 0.00 -0.01 0.00 0.00 57.90 56.54 1piw n TYR 113 Cb 0.31 -0.45 -0.04 0.00 -0.02 0.00 0.00 39.34 39.13 1piw n TYR 113 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1piw h THR 115 N 1.77 1.23 -0.67 0.00 2.02 -1.94 -2.57 112.91 112.75 1piw h THR 115 Ca -0.49 -0.53 -0.32 0.00 0.77 0.00 0.00 66.41 65.84 1piw h THR 115 Cb 1.21 0.07 -0.19 0.00 -1.74 0.00 0.00 68.15 67.51 1piw h THR 115 CO 0.60 0.25 0.40 0.29 0.37 0.00 0.00 175.52 177.44 1piw n LYS 116 N -4.36 2.18 -1.69 6.66 4.76 -1.26 -4.99 118.16 119.45 1piw n LYS 116 Ca 0.09 -2.18 -0.41 0.00 -2.87 0.00 0.00 58.31 52.95 1piw n LYS 116 Cb 0.07 -1.88 0.01 0.00 -1.84 0.00 0.00 35.03 31.40 1piw n LYS 116 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1piw n PHE 117 N -0.52 2.03 -3.69 2.13 7.35 -0.97 -4.35 117.46 119.45 1piw n PHE 117 Ca 0.40 0.50 -0.17 0.00 -0.76 0.00 0.00 57.45 57.42 1piw n PHE 117 Cb 1.29 -2.36 -0.16 0.00 0.35 0.00 0.00 39.48 38.60 1piw n PHE 117 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1piw s VAL 118 N -1.22 -0.17 0.36 -2.13 1.01 -1.09 -4.99 120.40 112.16 1piw s VAL 118 Ca 0.62 0.34 -0.18 0.00 0.00 0.00 0.00 61.98 62.75 1piw s VAL 118 Cb -0.51 -0.23 -0.10 0.00 0.00 0.00 0.00 36.38 35.54 1piw s VAL 118 CO 0.57 0.14 0.83 0.28 0.00 0.00 0.00 175.10 176.92 1piw s THR 119 N 1.99 4.53 0.36 3.92 -1.32 -1.26 -1.13 115.64 122.72 1piw s THR 119 Ca 0.01 1.23 0.19 0.00 -1.21 0.00 0.00 61.69 61.91 1piw s THR 119 Cb -0.12 -3.64 0.34 0.00 -1.51 0.00 0.00 72.50 67.57 1piw s THR 119 CO -0.05 -0.19 1.61 0.74 -2.21 0.00 0.00 174.62 174.52 1piw h THR 120 N 2.03 0.12 -4.01 5.08 2.02 -0.66 -3.41 112.91 114.07 1piw h THR 120 Ca -0.48 -0.04 -0.12 0.00 0.77 0.00 0.00 66.41 66.53 1piw h THR 120 Cb 1.18 -0.02 -0.16 0.00 -1.74 0.00 0.00 68.15 67.41 1piw h THR 120 CO 0.64 0.02 -0.58 -0.72 0.37 0.00 0.00 175.52 175.24 1piw s TYR 121 N -5.57 0.34 -0.89 3.16 1.13 -1.26 -3.37 117.35 110.88 1piw s TYR 121 Ca -0.09 -0.77 0.00 0.00 -1.41 0.00 0.00 57.07 54.80 1piw s TYR 121 Cb 0.32 -0.24 0.00 0.00 -1.10 0.00 0.00 41.96 40.94 1piw s TYR 121 CO 0.78 -0.38 0.00 0.43 -2.51 0.00 0.00 175.55 173.87 1piw n SER 122 N 0.43 -3.81 -3.94 -0.18 7.64 -0.14 -4.88 113.62 108.74 1piw n SER 122 Ca -0.17 0.16 -0.15 0.00 1.01 0.00 0.00 58.87 59.73 1piw n SER 122 Cb 0.60 -2.36 -0.14 0.00 -1.01 0.00 0.00 64.21 61.30 1piw n SER 122 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1piw s GLN 123 N -3.21 0.32 0.16 1.43 0.74 -1.26 -4.93 119.66 112.90 1piw s GLN 123 Ca 0.00 -0.18 -0.16 0.00 0.05 0.00 0.00 55.36 55.07 1piw s GLN 123 Cb 0.00 -0.29 -0.07 0.00 1.10 0.00 0.00 33.01 33.75 1piw s GLN 123 CO 0.00 0.08 0.59 -1.25 -0.55 0.00 0.00 175.29 174.16 1piw s PRO 124 N -0.19 4.07 0.28 1.67 0.04 -1.26 0.54 135.00 140.14 1piw s PRO 124 Ca 0.00 0.61 -0.04 0.00 0.04 0.00 0.00 61.00 61.61 1piw s PRO 124 Cb -0.02 -2.95 0.06 0.00 0.04 0.00 0.00 34.50 31.63 1piw s PRO 124 CO -0.00 0.47 0.38 0.66 0.04 0.00 0.00 177.00 178.55 1piw n TYR 125 N 0.87 -3.83 0.04 0.56 4.02 0.30 -4.84 117.16 114.27 1piw n TYR 125 Ca -0.05 -0.39 0.00 0.00 -0.01 0.00 0.00 57.90 57.45 1piw n TYR 125 Cb 0.52 -0.29 0.31 0.00 -0.02 0.00 0.00 39.34 39.85 1piw n TYR 125 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1piw h GLU 126 N 0.00 0.43 0.00 -0.72 5.08 -1.98 -1.24 114.58 116.15 1piw h GLU 126 Ca -0.12 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1piw h GLU 126 Cb 0.36 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1piw h GLU 126 CO 0.09 0.52 0.00 -0.40 -1.00 0.00 0.00 179.01 178.23 1piw n ASP 127 N -4.25 0.18 0.00 1.42 5.68 -1.26 -4.87 116.55 113.45 1piw n ASP 127 Ca 0.00 0.54 0.00 0.00 -0.50 0.00 0.00 54.79 54.83 1piw n ASP 127 Cb 0.28 -0.58 0.00 0.00 -1.14 0.00 0.00 41.12 39.68 1piw n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1piw n GLY 128 N 0.25 0.33 3.71 6.12 0.00 -0.47 -5.06 105.19 110.07 1piw n GLY 128 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1piw n GLY 128 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1piw s TYR 129 N -2.11 3.43 -0.48 1.61 5.04 -1.26 -4.57 117.35 119.01 1piw s TYR 129 Ca 0.00 1.32 -0.22 0.00 -2.44 0.00 0.00 57.07 55.72 1piw s TYR 129 Cb 0.00 -3.40 0.03 0.00 0.35 0.00 0.00 41.96 38.94 1piw s TYR 129 CO 0.00 -1.21 0.78 0.08 -1.34 0.00 0.00 175.55 173.86 1piw s VAL 130 N 1.14 4.65 0.00 3.14 1.01 -1.26 -0.54 120.40 128.54 1piw s VAL 130 Ca 0.58 0.23 -0.24 0.00 0.00 0.00 0.00 61.98 62.55 1piw s VAL 130 Cb -0.29 -4.35 -0.12 0.00 0.00 0.00 0.00 36.38 31.62 1piw s VAL 130 CO 0.29 -0.80 0.63 -1.54 0.00 0.00 0.00 175.10 173.68 1piw n SER 131 N 6.75 -0.02 0.00 3.32 3.41 0.19 -4.64 113.62 122.63 1piw n SER 131 Ca 0.00 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.31 1piw n SER 131 Cb 0.48 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1piw n SER 131 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1piw n GLN 132 N 0.89 0.00 -0.44 4.33 1.13 -1.22 -0.96 117.38 121.12 1piw n GLN 132 Ca 0.12 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 1piw n GLN 132 Cb 0.05 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.40 1piw n GLN 132 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1piw n GLY 133 N 5.00 0.00 0.00 1.08 0.00 -1.26 -4.20 105.19 105.81 1piw n GLY 133 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1piw n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1piw n GLY 134 N -1.95 1.90 2.32 -0.02 0.00 -1.25 -4.19 105.19 102.00 1piw n GLY 134 Ca 0.00 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 1piw n GLY 134 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1piw n TYR 135 N 0.00 1.72 -4.14 1.61 4.02 0.91 -4.82 117.16 116.45 1piw n TYR 135 Ca 0.00 -2.41 -0.14 0.00 -0.01 0.00 0.00 57.90 55.34 1piw n TYR 135 Cb 0.00 -1.88 -0.05 0.00 -0.02 0.00 0.00 39.34 37.39 1piw n TYR 135 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1piw n ALA 136 N 2.28 0.29 0.10 -0.72 0.00 -1.26 -1.01 120.51 120.19 1piw n ALA 136 Ca 0.60 -1.49 0.03 0.00 0.00 0.00 0.00 53.44 52.58 1piw n ALA 136 Cb 0.47 1.21 -0.01 0.00 0.00 0.00 0.00 19.45 21.12 1piw n ALA 136 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1piw h ASN 137 N 1.64 0.00 -5.01 0.00 -0.00 -1.71 -3.42 115.58 107.09 1piw h ASN 137 Ca -0.20 0.00 -0.13 0.00 -0.00 0.00 0.00 56.30 55.97 1piw h ASN 137 Cb 0.97 0.00 -0.20 0.00 -0.00 0.00 0.00 38.32 39.10 1piw h ASN 137 CO 0.29 0.45 -0.45 -0.31 -0.00 0.00 0.00 177.43 177.41 1piw s TYR 138 N -3.00 0.03 -0.01 4.14 1.51 -1.26 -1.72 117.35 117.05 1piw s TYR 138 Ca 0.01 -0.15 0.02 0.00 -1.01 0.00 0.00 57.07 55.94 1piw s TYR 138 Cb 0.08 -0.04 -0.00 0.00 -0.11 0.00 0.00 41.96 41.89 1piw s TYR 138 CO 0.77 -0.33 -0.06 0.54 -1.11 0.00 0.00 175.55 175.35 1piw s VAL 139 N -1.71 0.48 -0.31 0.71 0.11 -0.34 -4.60 120.40 114.73 1piw s VAL 139 Ca -0.12 -0.25 -0.05 0.00 -2.93 0.00 0.00 61.98 58.62 1piw s VAL 139 Cb -0.06 -0.41 0.03 0.00 -1.53 0.00 0.00 36.38 34.42 1piw s VAL 139 CO 0.00 0.14 0.07 -0.60 -3.33 0.00 0.00 175.10 171.38 1piw s ARG 140 N -0.10 2.78 -0.01 1.54 3.52 -1.26 -1.09 118.95 124.33 1piw s ARG 140 Ca 0.02 -1.06 0.01 0.00 -0.13 0.00 0.00 55.73 54.57 1piw s ARG 140 Cb -0.03 -3.35 0.01 0.00 -1.56 0.00 0.00 34.95 30.02 1piw s ARG 140 CO -0.00 -0.56 -0.03 0.08 -0.81 0.00 0.00 175.30 173.98 1piw s VAL 141 N 1.41 0.32 0.16 7.11 1.01 0.02 -4.89 120.40 125.54 1piw s VAL 141 Ca -0.00 -0.12 -0.34 0.00 0.00 0.00 0.00 61.98 61.52 1piw s VAL 141 Cb -0.18 -0.30 -0.14 0.00 0.00 0.00 0.00 36.38 35.75 1piw s VAL 141 CO 0.01 0.11 1.56 1.57 0.00 0.00 0.00 175.10 178.36 1piw n HIS 142 N 3.30 2.26 -0.28 5.22 -0.00 -1.26 0.63 115.22 125.09 1piw n HIS 142 Ca -0.17 0.28 0.29 0.00 0.46 0.00 0.00 57.72 58.59 1piw n HIS 142 Cb 0.56 -2.54 0.66 0.00 -0.12 0.00 0.00 29.99 28.56 1piw n HIS 142 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 1piw h GLU 143 N 5.81 0.13 -0.13 1.57 4.11 -1.38 -0.85 114.58 123.85 1piw h GLU 143 Ca -0.45 -0.01 0.04 0.00 0.07 0.00 0.00 59.36 59.01 1piw h GLU 143 Cb 1.26 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1piw h GLU 143 CO 0.88 0.09 0.17 1.25 0.07 0.00 0.00 179.01 181.47 1piw h HIS 144 N 0.13 0.00 -0.45 2.06 2.76 -1.88 -1.59 115.15 116.18 1piw h HIS 144 Ca 0.53 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.67 1piw h HIS 144 Cb 1.85 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.79 1piw h HIS 144 CO -0.00 0.00 0.03 1.19 -1.30 0.00 0.00 177.93 177.85 1piw n PHE 145 N -3.65 1.60 -4.81 5.26 3.01 -0.32 -4.90 117.46 113.65 1piw n PHE 145 Ca 0.00 -0.88 -0.33 0.00 1.01 0.00 0.00 57.45 57.25 1piw n PHE 145 Cb 0.28 -0.45 -0.15 0.00 -0.01 0.00 0.00 39.48 39.15 1piw n PHE 145 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1piw s VAL 146 N -2.85 2.90 0.24 -4.37 1.01 -0.60 -4.44 120.40 112.30 1piw s VAL 146 Ca 0.49 -0.71 0.10 0.00 0.00 0.00 0.00 61.98 61.86 1piw s VAL 146 Cb 0.39 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1piw s VAL 146 CO 0.12 0.53 -0.09 0.68 0.00 0.00 0.00 175.10 176.34 1piw s VAL 147 N 0.39 3.08 0.31 2.92 -7.23 0.76 -4.89 120.40 115.74 1piw s VAL 147 Ca -0.12 -1.97 -0.22 0.00 -1.81 0.00 0.00 61.98 57.86 1piw s VAL 147 Cb -0.16 -2.60 -0.09 0.00 0.56 0.00 0.00 36.38 34.08 1piw s VAL 147 CO 0.06 -0.29 0.86 -2.84 -0.31 0.00 0.00 175.10 172.57 1piw s PRO 148 N -3.34 4.37 -0.29 4.82 0.02 -1.26 0.76 135.00 140.08 1piw s PRO 148 Ca 0.29 1.09 -0.11 0.00 0.02 0.00 0.00 61.00 62.29 1piw s PRO 148 Cb -0.07 -2.70 -0.04 0.00 0.02 0.00 0.00 34.50 31.71 1piw s PRO 148 CO 0.17 0.26 0.19 0.42 -0.33 0.00 0.00 177.00 177.71 1piw s ILE 149 N -1.70 5.21 -0.00 2.83 -1.09 -0.47 -4.77 121.20 121.21 1piw s ILE 149 Ca 0.50 0.06 -0.38 0.00 -2.23 0.00 0.00 60.65 58.59 1piw s ILE 149 Cb -0.16 -3.52 -0.17 0.00 -1.58 0.00 0.00 42.46 37.03 1piw s ILE 149 CO 0.21 0.20 1.35 -2.65 -1.23 0.00 0.00 174.94 172.82 1piw n PRO 150 N 5.06 0.88 -0.47 2.79 -0.02 -1.26 -4.78 135.00 137.19 1piw n PRO 150 Ca -0.14 0.32 0.38 0.00 -2.02 0.00 0.00 63.50 62.04 1piw n PRO 150 Cb 0.51 -1.93 0.68 0.00 -0.02 0.00 0.00 33.50 32.74 1piw n PRO 150 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1piw h GLU 151 N 4.63 0.09 -0.81 -0.52 5.08 -1.96 -2.21 114.58 118.88 1piw h GLU 151 Ca -0.48 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 57.77 1piw h GLU 151 Cb 1.35 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.52 1piw h GLU 151 CO 0.78 0.06 0.13 0.27 -1.00 0.00 0.00 179.01 179.26 1piw n ASN 152 N -4.52 3.94 -4.17 1.42 6.94 -1.26 -4.84 115.26 112.78 1piw n ASN 152 Ca 0.36 -2.75 -0.34 0.00 -0.02 0.00 0.00 54.58 51.83 1piw n ASN 152 Cb 1.47 -0.66 -0.15 0.00 -2.36 0.00 0.00 39.78 38.08 1piw n ASN 152 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1piw s ILE 153 N -2.17 2.62 0.17 1.53 1.01 -0.83 -4.98 121.20 118.55 1piw s ILE 153 Ca 0.37 -1.08 -0.34 0.00 0.00 0.00 0.00 60.65 59.60 1piw s ILE 153 Cb 0.29 -2.31 -0.15 0.00 0.01 0.00 0.00 42.46 40.30 1piw s ILE 153 CO 0.09 0.24 1.39 -2.65 0.00 0.00 0.00 174.94 174.02 1piw n PRO 154 N 4.63 1.69 -0.29 2.79 -0.02 -1.26 -4.67 135.00 137.88 1piw n PRO 154 Ca -0.17 0.61 0.11 0.00 -2.02 0.00 0.00 63.50 62.02 1piw n PRO 154 Cb 0.47 -2.26 0.25 0.00 -0.02 0.00 0.00 33.50 31.94 1piw n PRO 154 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1piw h SER 155 N 4.61 -0.07 0.40 2.55 0.02 -1.97 0.35 113.55 119.44 1piw h SER 155 Ca -0.45 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1piw h SER 155 Cb 1.30 0.28 0.00 0.00 0.14 0.00 0.00 62.40 64.11 1piw h SER 155 CO 0.79 -0.15 0.00 0.00 -1.14 0.00 0.00 176.83 176.33 1piw n HIS 156 N -5.24 0.16 0.49 3.45 1.44 -1.26 -1.72 115.22 112.53 1piw n HIS 156 Ca 0.19 0.07 0.06 0.00 -2.01 0.00 0.00 57.72 56.03 1piw n HIS 156 Cb 0.61 -0.61 -0.08 0.00 0.12 0.00 0.00 29.99 30.04 1piw n HIS 156 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1piw n LEU 157 N -1.65 0.49 -0.05 2.39 4.32 0.11 -4.55 117.00 118.05 1piw n LEU 157 Ca 0.02 -0.42 -0.22 0.00 -0.02 0.00 0.00 56.01 55.38 1piw n LEU 157 Cb 0.13 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 41.81 1piw n LEU 157 CO 0.11 0.12 -0.61 0.00 -1.22 0.00 0.00 177.39 175.79 1piw h ALA 158 N 1.66 0.31 -0.72 -1.18 0.00 -0.25 -3.42 119.26 115.66 1piw h ALA 158 Ca 0.00 -1.26 0.07 0.00 0.00 0.00 0.00 54.91 53.72 1piw h ALA 158 Cb 0.34 0.69 -0.09 0.00 0.00 0.00 0.00 17.79 18.73 1piw h ALA 158 CO 0.00 0.94 -0.48 0.00 0.00 0.00 0.00 179.25 179.71 1piw h ALA 159 N -0.22 -0.51 -0.97 0.00 0.00 -1.57 -1.49 119.26 114.49 1piw h ALA 159 Ca -0.37 0.08 0.25 0.00 0.00 0.00 0.00 54.91 54.87 1piw h ALA 159 Cb 1.63 1.26 -0.07 0.00 0.00 0.00 0.00 17.79 20.62 1piw h ALA 159 CO -0.06 -0.83 0.66 -1.35 0.00 0.00 0.00 179.25 177.66 1piw h PRO 160 N -0.07 0.27 -0.61 0.00 0.11 -1.80 0.98 132.00 130.87 1piw h PRO 160 Ca 0.12 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.26 1piw h PRO 160 Cb 0.37 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.39 1piw h PRO 160 CO -0.72 0.18 0.41 -0.07 -0.21 0.00 0.00 178.00 177.59 1piw h LEU 161 N 0.28 0.58 -0.80 2.35 3.38 -1.51 -2.19 115.31 117.39 1piw h LEU 161 Ca 0.51 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 1piw h LEU 161 Cb 1.50 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1piw h LEU 161 CO -0.16 0.39 0.30 0.18 0.09 0.00 0.00 178.44 179.25 1piw n LEU 162 N -4.47 0.31 0.04 1.67 4.77 0.34 -0.19 117.00 119.47 1piw n LEU 162 Ca 0.08 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1piw n LEU 162 Cb 0.18 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1piw n LEU 162 CO 0.34 -0.64 0.00 0.00 -1.33 0.00 0.00 177.39 175.76 1piw h GLY 164 N 0.00 0.80 0.62 0.00 0.00 -1.63 0.41 103.07 103.28 1piw h GLY 164 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 1piw h GLY 164 CO 0.00 -0.18 -0.30 -1.33 0.00 0.00 0.00 176.54 174.73 1piw h GLY 165 N 0.20 -0.88 -0.23 4.60 0.00 -1.34 -3.04 103.07 102.39 1piw h GLY 165 Ca 0.35 0.32 0.30 0.00 0.00 0.00 0.00 47.33 48.31 1piw h GLY 165 CO -0.49 -0.32 0.75 -2.00 0.00 0.00 0.00 176.54 174.48 1piw h LEU 166 N -1.05 0.21 -1.72 3.11 5.85 -0.25 0.48 115.31 121.93 1piw h LEU 166 Ca -0.09 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1piw h LEU 166 Cb 0.64 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 1piw h LEU 166 CO 0.14 0.03 -0.15 0.74 -0.34 0.00 0.00 178.44 178.86 1piw h THR 167 N 0.18 1.05 0.02 1.05 2.02 -0.07 -0.98 112.91 116.18 1piw h THR 167 Ca 0.57 -0.53 -0.34 0.00 0.77 0.00 0.00 66.41 66.88 1piw h THR 167 Cb 1.87 1.29 -0.05 0.00 -1.74 0.00 0.00 68.15 69.52 1piw h THR 167 CO -0.15 0.15 -2.08 0.52 0.37 0.00 0.00 175.52 174.34 1piw n VAL 168 N -4.27 1.54 -0.07 3.16 0.31 0.00 -4.26 118.33 114.74 1piw n VAL 168 Ca -0.02 -0.77 -0.10 0.00 -0.01 0.00 0.00 64.34 63.43 1piw n VAL 168 Cb 0.22 -0.98 -0.03 0.00 -0.91 0.00 0.00 33.84 32.14 1piw n VAL 168 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1piw h TYR 169 N 0.01 0.35 0.08 3.52 3.20 -0.84 -1.64 116.97 121.66 1piw h TYR 169 Ca -0.43 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.44 1piw h TYR 169 Cb 2.09 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 40.21 1piw h TYR 169 CO 0.01 0.33 -0.22 1.03 -1.64 0.00 0.00 178.16 177.68 1piw h SER 170 N 0.27 -0.62 -0.60 -2.11 0.87 -1.38 -1.28 113.55 108.69 1piw h SER 170 Ca 0.08 0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 1piw h SER 170 Cb 0.11 0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 1piw h SER 170 CO -0.01 -0.30 0.22 1.55 -0.53 0.00 0.00 176.83 177.77 1piw h PRO 171 N -0.39 0.94 0.57 2.24 0.13 -1.73 -1.96 132.00 131.81 1piw h PRO 171 Ca 0.04 -0.17 -0.02 0.00 -0.87 0.00 0.00 66.00 64.98 1piw h PRO 171 Cb 0.43 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.40 1piw h PRO 171 CO -0.14 0.79 -0.37 -0.07 -0.23 0.00 0.00 178.00 177.98 1piw h LEU 172 N 0.92 -0.93 0.20 1.56 3.38 -0.84 0.12 115.31 119.73 1piw h LEU 172 Ca 0.21 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1piw h LEU 172 Cb 0.22 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1piw h LEU 172 CO -0.01 -0.56 -0.17 0.58 0.09 0.00 0.00 178.44 178.36 1piw h VAL 173 N -0.89 0.00 -1.39 1.22 2.07 -1.21 -0.16 116.25 115.89 1piw h VAL 173 Ca -0.07 0.00 0.44 0.00 0.82 0.00 0.00 66.70 67.89 1piw h VAL 173 Cb 0.73 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.39 1piw h VAL 173 CO 0.06 0.00 0.93 0.03 0.02 0.00 0.00 177.57 178.61 1piw h ARG 174 N -0.37 0.08 -0.89 1.57 3.08 -1.38 -0.69 114.38 115.79 1piw h ARG 174 Ca -0.03 -0.01 -0.46 0.00 0.07 0.00 0.00 59.98 59.56 1piw h ARG 174 Cb 0.31 -0.02 -0.27 0.00 0.08 0.00 0.00 29.97 30.07 1piw h ARG 174 CO -0.01 0.06 0.53 0.09 -1.07 0.00 0.00 179.97 179.57 1piw n ASN 175 N -4.53 3.56 0.00 7.04 3.02 0.03 -4.93 115.26 119.45 1piw n ASN 175 Ca 0.37 -3.63 0.00 0.00 -0.03 0.00 0.00 54.58 51.28 1piw n ASN 175 Cb 1.47 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 1piw n ASN 175 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1piw n GLY 176 N -1.12 0.88 3.66 7.41 0.00 -0.27 -4.85 105.19 110.90 1piw n GLY 176 Ca 0.55 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 46.11 1piw n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1piw n GLY 178 N 3.40 -1.70 3.51 0.00 0.00 -1.26 -4.69 105.19 104.45 1piw n GLY 178 Ca 0.17 -1.13 -0.46 0.00 0.00 0.00 0.00 46.02 44.61 1piw n GLY 178 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1piw n PRO 179 N -0.25 0.80 -0.09 1.61 -0.02 -1.22 -2.33 135.00 133.50 1piw n PRO 179 Ca 0.00 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1piw n PRO 179 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1piw n PRO 179 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1piw n GLY 180 N 1.54 2.32 3.94 -1.23 0.00 -1.26 -4.89 105.19 105.61 1piw n GLY 180 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1piw n GLY 180 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1piw s LYS 181 N -0.02 3.32 -0.62 1.61 -0.14 -0.98 -4.96 119.74 117.96 1piw s LYS 181 Ca 0.00 -0.36 0.01 0.00 -1.36 0.00 0.00 55.97 54.26 1piw s LYS 181 Cb 0.00 -2.60 0.16 0.00 -1.68 0.00 0.00 37.83 33.70 1piw s LYS 181 CO 0.00 -0.04 0.41 0.15 -0.76 0.00 0.00 175.35 175.11 1piw s LYS 182 N -4.44 2.39 0.32 1.68 1.02 -1.26 -1.40 119.74 118.06 1piw s LYS 182 Ca 0.44 -2.72 -0.19 0.00 0.02 0.00 0.00 55.97 53.52 1piw s LYS 182 Cb -0.10 -3.56 -0.09 0.00 -0.52 0.00 0.00 37.83 33.56 1piw s LYS 182 CO 0.37 -1.17 0.80 0.08 -0.92 0.00 0.00 175.35 174.52 1piw s VAL 183 N -0.41 4.53 -0.03 3.17 1.01 -0.35 -1.48 120.40 126.84 1piw s VAL 183 Ca 0.19 1.25 0.04 0.00 0.00 0.00 0.00 61.98 63.46 1piw s VAL 183 Cb -0.20 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1piw s VAL 183 CO -0.04 -0.07 -0.15 -0.83 0.00 0.00 0.00 175.10 174.01 1piw s GLY 184 N -2.01 0.79 -0.26 4.51 0.00 0.11 -0.50 107.32 109.96 1piw s GLY 184 Ca 0.52 -0.62 -0.02 0.00 0.00 0.00 0.00 44.72 44.61 1piw s GLY 184 CO 0.18 -0.38 -0.04 -0.42 0.00 0.00 0.00 173.10 172.44 1piw s ILE 185 N -0.08 2.98 -0.25 0.90 -1.09 0.58 -1.13 121.20 123.11 1piw s ILE 185 Ca -0.00 -1.02 -0.14 0.00 -2.23 0.00 0.00 60.65 57.27 1piw s ILE 185 Cb -0.09 -2.53 -0.04 0.00 -1.58 0.00 0.00 42.46 38.22 1piw s ILE 185 CO 0.01 0.17 0.30 -0.69 -1.23 0.00 0.00 174.94 173.50 1piw s VAL 186 N 1.34 5.24 0.00 2.92 1.01 -0.51 0.12 120.40 130.52 1piw s VAL 186 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1piw s VAL 186 Cb -0.17 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1piw s VAL 186 CO -0.04 0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.90 1piw n GLY 187 N 4.52 -1.66 2.19 4.51 0.00 -0.85 -0.93 105.19 112.96 1piw n GLY 187 Ca -0.11 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.22 1piw n GLY 187 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1piw n LEU 188 N 0.00 6.07 0.00 0.99 7.94 -1.26 -3.82 117.00 126.92 1piw n LEU 188 Ca 0.00 -3.39 0.00 0.00 -1.11 0.00 0.00 56.01 51.51 1piw n LEU 188 Cb 0.00 -1.35 0.00 0.00 0.53 0.00 0.00 43.42 42.60 1piw n LEU 188 CO 0.00 1.60 0.00 0.61 -1.11 0.00 0.00 177.39 178.49 1piw n GLY 189 N 3.00 1.33 0.19 -3.96 0.00 -1.26 -4.58 105.19 99.90 1piw n GLY 189 Ca 0.52 -1.61 -0.14 0.00 0.00 0.00 0.00 46.02 44.79 1piw n GLY 189 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1piw h GLY 190 N 0.00 -0.41 0.88 -0.02 0.00 -1.88 -2.61 103.07 99.02 1piw h GLY 190 Ca 0.00 0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.40 1piw h GLY 190 CO 0.00 -0.15 -0.19 -2.22 0.00 0.00 0.00 176.54 173.98 1piw h ILE 191 N -0.48 1.31 -0.61 2.60 2.04 -1.86 -3.24 117.51 117.26 1piw h ILE 191 Ca -0.04 -1.33 0.12 0.00 1.00 0.00 0.00 64.86 64.61 1piw h ILE 191 Cb 0.36 1.64 -0.12 0.00 -0.74 0.00 0.00 36.82 37.96 1piw h ILE 191 CO 0.07 0.41 -0.17 1.23 0.00 0.00 0.00 178.15 179.69 1piw h GLY 192 N 0.27 0.40 0.92 5.37 0.00 -1.65 0.48 103.07 108.87 1piw h GLY 192 Ca 0.05 0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 1piw h GLY 192 CO 0.05 -0.23 -0.07 1.48 0.00 0.00 0.00 176.54 177.77 1piw h SER 193 N -0.02 -0.16 -0.99 0.19 4.64 -1.53 0.42 113.55 116.10 1piw h SER 193 Ca 0.29 -0.06 0.12 0.00 -0.47 0.00 0.00 61.79 61.67 1piw h SER 193 Cb 0.46 0.04 -0.08 0.00 -0.31 0.00 0.00 62.40 62.51 1piw h SER 193 CO -0.64 -0.04 0.63 0.24 -0.87 0.00 0.00 176.83 176.15 1piw h MET 194 N -0.27 0.96 0.00 4.77 2.07 -1.43 0.64 114.93 121.66 1piw h MET 194 Ca -0.02 -0.06 -0.01 0.00 -2.07 0.00 0.00 59.70 57.54 1piw h MET 194 Cb 0.21 -0.22 -0.00 0.00 -1.87 0.00 0.00 31.60 29.73 1piw h MET 194 CO 0.03 0.63 -0.04 0.78 1.07 0.00 0.00 176.91 179.38 1piw h GLY 195 N 0.98 0.00 0.07 8.32 0.00 0.90 0.20 103.07 113.55 1piw h GLY 195 Ca 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.75 1piw h GLY 195 CO -0.25 0.00 -0.30 -0.84 0.00 0.00 0.00 176.54 175.15 1piw h THR 196 N 0.00 1.62 0.33 4.70 2.02 0.46 -2.68 112.91 119.35 1piw h THR 196 Ca -0.00 -2.34 -0.01 0.00 0.77 0.00 0.00 66.41 64.82 1piw h THR 196 Cb 0.48 3.18 -0.00 0.00 -1.74 0.00 0.00 68.15 70.07 1piw h THR 196 CO 0.01 0.58 -0.21 -0.07 0.37 0.00 0.00 175.52 176.19 1piw h LEU 197 N -0.93 -0.54 -1.61 2.58 3.38 -0.42 -2.02 115.31 115.76 1piw h LEU 197 Ca -0.07 0.03 0.34 0.00 0.09 0.00 0.00 57.88 58.26 1piw h LEU 197 Cb 1.12 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.95 1piw h LEU 197 CO -0.02 -0.32 0.80 0.40 0.09 0.00 0.00 178.44 179.39 1piw h ILE 198 N -0.50 0.39 0.43 1.22 2.04 -0.79 0.22 117.51 120.52 1piw h ILE 198 Ca -0.04 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1piw h ILE 198 Cb 0.41 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1piw h ILE 198 CO 0.04 0.03 -0.25 -1.28 0.00 0.00 0.00 178.15 176.69 1piw h SER 199 N 0.19 -0.63 -0.07 1.72 0.87 -1.05 -2.26 113.55 112.32 1piw h SER 199 Ca 0.64 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 61.25 1piw h SER 199 Cb 2.05 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 64.19 1piw h SER 199 CO -0.21 -0.41 0.00 0.11 -0.53 0.00 0.00 176.83 175.79 1piw h LYS 200 N -0.65 0.03 -1.08 2.24 1.79 0.05 -2.22 116.57 116.72 1piw h LYS 200 Ca -0.05 -0.00 0.30 0.00 -2.18 0.00 0.00 60.65 58.72 1piw h LYS 200 Cb 0.53 -0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 31.12 1piw h LYS 200 CO 0.06 0.02 0.76 0.00 -1.08 0.00 0.00 179.45 179.21 1piw h ALA 201 N 1.05 2.83 0.00 3.86 0.00 -0.98 1.13 119.26 127.16 1piw h ALA 201 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1piw h ALA 201 Cb 0.03 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1piw h ALA 201 CO -0.05 -1.17 -0.13 0.52 0.00 0.00 0.00 179.25 178.42 1piw h MET 202 N 0.10 0.00 0.00 0.00 2.86 -0.80 -3.48 114.93 113.61 1piw h MET 202 Ca 0.54 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.18 1piw h MET 202 Cb 1.94 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.60 1piw h MET 202 CO -0.08 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.30 1piw n GLY 203 N 1.15 1.10 3.71 8.32 0.00 0.39 -3.43 105.19 116.44 1piw n GLY 203 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1piw n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1piw s ALA 204 N -2.02 1.20 -0.36 4.61 0.00 -1.19 -4.10 121.76 119.90 1piw s ALA 204 Ca 0.00 -0.85 -0.13 0.00 0.00 0.00 0.00 51.96 50.98 1piw s ALA 204 Cb 0.00 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.20 1piw s ALA 204 CO 0.00 -3.02 0.24 -2.00 0.00 0.00 0.00 175.76 170.98 1piw s GLU 205 N -5.43 3.21 -0.12 0.00 2.12 -0.49 -4.61 118.70 113.39 1piw s GLU 205 Ca 0.70 -0.84 -0.08 0.00 0.36 0.00 0.00 54.97 55.11 1piw s GLU 205 Cb -0.11 -3.81 -0.04 0.00 0.26 0.00 0.00 34.13 30.43 1piw s GLU 205 CO 0.55 -0.57 0.16 0.99 -0.54 0.00 0.00 175.26 175.85 1piw s THR 206 N 1.67 5.46 -0.13 -1.70 2.01 -1.26 -1.22 115.64 120.46 1piw s THR 206 Ca 0.05 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.33 1piw s THR 206 Cb -0.18 -3.44 -0.00 0.00 0.01 0.00 0.00 72.50 68.89 1piw s THR 206 CO 0.09 0.59 -0.18 -0.31 -0.69 0.00 0.00 174.62 174.12 1piw s TYR 207 N -0.87 2.71 -0.07 4.92 1.51 0.34 -0.86 117.35 125.05 1piw s TYR 207 Ca 0.15 -1.00 -0.17 0.00 -1.01 0.00 0.00 57.07 55.05 1piw s TYR 207 Cb -0.12 -1.82 -0.05 0.00 -0.11 0.00 0.00 41.96 39.86 1piw s TYR 207 CO 0.04 -0.42 0.45 0.08 -1.11 0.00 0.00 175.55 174.59 1piw s VAL 208 N 0.58 5.11 -0.42 0.71 1.01 -0.58 -0.31 120.40 126.50 1piw s VAL 208 Ca -0.10 0.90 0.03 0.00 0.00 0.00 0.00 61.98 62.81 1piw s VAL 208 Cb -0.16 -3.77 0.12 0.00 0.00 0.00 0.00 36.38 32.56 1piw s VAL 208 CO 0.03 0.43 0.16 -0.63 0.00 0.00 0.00 175.10 175.10 1piw s ILE 209 N -0.10 2.07 0.50 2.22 1.01 0.33 -1.73 121.20 125.51 1piw s ILE 209 Ca 0.25 -2.62 0.06 0.00 0.00 0.00 0.00 60.65 58.34 1piw s ILE 209 Cb -0.16 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 39.84 1piw s ILE 209 CO 0.11 -0.73 0.36 -0.55 0.00 0.00 0.00 174.94 174.13 1piw s SER 210 N 0.46 4.67 -0.25 3.58 0.15 -0.67 -2.00 113.70 119.65 1piw s SER 210 Ca 0.14 -1.13 -0.07 0.00 0.70 0.00 0.00 55.95 55.59 1piw s SER 210 Cb -0.22 0.10 -0.17 0.00 -1.71 0.00 0.00 66.02 64.02 1piw s SER 210 CO -0.06 -0.93 -0.17 -2.11 1.20 0.00 0.00 173.24 171.17 1piw n ARG 211 N -1.64 0.64 -2.52 5.44 1.85 -1.26 -0.48 116.66 118.68 1piw n ARG 211 Ca -0.01 0.24 -0.24 0.00 -1.00 0.00 0.00 57.85 56.84 1piw n ARG 211 Cb 0.64 -1.55 0.13 0.00 -1.05 0.00 0.00 32.46 30.62 1piw n ARG 211 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1piw s SER 212 N -6.95 4.06 0.00 2.89 1.04 -1.26 -1.69 113.70 111.78 1piw s SER 212 Ca -0.34 -0.38 0.22 0.00 0.48 0.00 0.00 55.95 55.92 1piw s SER 212 Cb 0.11 0.12 0.06 0.00 0.10 0.00 0.00 66.02 66.41 1piw s SER 212 CO 0.58 -2.07 1.11 -0.24 0.98 0.00 0.00 173.24 173.60 1piw n SER 213 N -3.00 2.32 -0.01 7.02 2.88 -1.26 -4.60 113.62 116.96 1piw n SER 213 Ca 0.16 -1.66 -0.10 0.00 -1.33 0.00 0.00 58.87 55.95 1piw n SER 213 Cb 0.61 0.29 -0.03 0.00 -0.75 0.00 0.00 64.21 64.32 1piw n SER 213 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1piw h ARG 214 N 3.14 -0.32 0.00 -1.46 9.65 -2.01 -2.50 114.38 120.88 1piw h ARG 214 Ca 0.00 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1piw h ARG 214 Cb 0.80 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.45 1piw h ARG 214 CO 0.00 -0.21 0.00 1.63 2.80 0.00 0.00 179.97 184.19 1piw n LYS 215 N -5.39 0.66 0.26 0.20 5.02 -1.26 -4.21 118.16 113.44 1piw n LYS 215 Ca -0.02 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.14 1piw n LYS 215 Cb 0.31 -1.22 -0.07 0.00 -0.02 0.00 0.00 35.03 34.03 1piw n LYS 215 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1piw h ARG 216 N 0.00 -0.74 -0.78 1.97 2.43 -1.76 -1.18 114.38 114.31 1piw h ARG 216 Ca 0.00 0.05 0.18 0.00 -0.81 0.00 0.00 59.98 59.40 1piw h ARG 216 Cb 0.00 0.17 -0.12 0.00 -0.42 0.00 0.00 29.97 29.60 1piw h ARG 216 CO 0.00 -0.50 0.21 0.93 -1.51 0.00 0.00 179.97 179.10 1piw h GLU 217 N -0.77 0.27 -0.55 0.20 5.08 -1.82 -1.21 114.58 115.78 1piw h GLU 217 Ca -0.06 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1piw h GLU 217 Cb 0.63 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1piw h GLU 217 CO 0.04 0.18 0.32 -0.44 -1.00 0.00 0.00 179.01 178.10 1piw h ASP 218 N 0.27 0.67 -0.44 1.42 3.45 -1.79 -2.44 116.42 117.56 1piw h ASP 218 Ca 0.45 -0.07 0.05 0.00 0.43 0.00 0.00 57.03 57.89 1piw h ASP 218 Cb 0.81 -0.17 -0.05 0.00 -0.56 0.00 0.00 39.33 39.37 1piw h ASP 218 CO -0.54 0.55 0.18 0.00 -1.57 0.00 0.00 179.24 177.86 1piw h ALA 219 N 1.15 0.54 -0.64 3.45 0.00 0.02 -1.57 119.26 122.21 1piw h ALA 219 Ca 0.19 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1piw h ALA 219 Cb 0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1piw h ALA 219 CO -0.03 -0.20 0.28 0.52 0.00 0.00 0.00 179.25 179.81 1piw h MET 220 N 0.37 0.95 -0.04 0.00 2.86 -1.38 -0.96 114.93 116.72 1piw h MET 220 Ca 0.20 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1piw h MET 220 Cb 0.17 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 1piw h MET 220 CO -0.18 0.78 0.11 0.87 1.06 0.00 0.00 176.91 179.55 1piw h LYS 221 N 0.90 0.00 0.00 1.72 1.57 -0.81 0.23 116.57 120.18 1piw h LYS 221 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1piw h LYS 221 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1piw h LYS 221 CO -0.02 0.00 -0.50 -1.33 -0.57 0.00 0.00 179.45 177.03 1piw n MET 222 N -3.28 0.27 0.00 3.15 2.81 -0.44 -4.91 117.12 114.72 1piw n MET 222 Ca -0.02 0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 1piw n MET 222 Cb 0.19 -1.69 0.00 0.00 -0.71 0.00 0.00 33.22 31.01 1piw n MET 222 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1piw n GLY 223 N 1.34 1.38 3.75 3.03 0.00 0.82 -4.71 105.19 110.80 1piw n GLY 223 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1piw n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1piw n ALA 224 N -0.74 2.26 0.67 4.61 0.00 -0.77 -4.83 120.51 121.71 1piw n ALA 224 Ca 0.00 0.36 0.13 0.00 0.00 0.00 0.00 53.44 53.93 1piw n ALA 224 Cb 0.00 -2.41 0.37 0.00 0.00 0.00 0.00 19.45 17.41 1piw n ALA 224 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1piw n ASP 225 N 1.24 0.69 -3.60 0.00 9.92 -0.04 -4.67 116.55 120.09 1piw n ASP 225 Ca 0.05 0.44 -0.04 0.00 -0.53 0.00 0.00 54.79 54.70 1piw n ASP 225 Cb 0.37 -0.51 -0.02 0.00 -0.64 0.00 0.00 41.12 40.32 1piw n ASP 225 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 1piw s HIS 226 N -3.10 -0.13 0.05 1.24 2.46 -1.17 -5.01 115.29 109.62 1piw s HIS 226 Ca 0.10 0.11 0.06 0.00 0.47 0.00 0.00 55.06 55.80 1piw s HIS 226 Cb 0.13 0.51 -0.02 0.00 -0.13 0.00 0.00 32.58 33.07 1piw s HIS 226 CO 0.62 -0.19 -0.16 -0.47 -2.47 0.00 0.00 174.74 172.07 1piw s TYR 227 N -2.19 1.39 0.00 3.88 5.04 -1.26 -1.53 117.35 122.68 1piw s TYR 227 Ca 0.09 -0.38 0.02 0.00 -2.44 0.00 0.00 57.07 54.35 1piw s TYR 227 Cb -0.01 -0.81 -0.01 0.00 0.35 0.00 0.00 41.96 41.48 1piw s TYR 227 CO -0.05 0.07 -0.05 0.42 -1.34 0.00 0.00 175.55 174.60 1piw s ILE 228 N -0.94 0.39 -0.41 3.14 1.01 -0.70 -4.95 121.20 118.73 1piw s ILE 228 Ca 0.03 -0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.36 1piw s ILE 228 Cb -0.09 -0.35 0.12 0.00 0.01 0.00 0.00 42.46 42.15 1piw s ILE 228 CO 0.02 0.03 0.17 0.00 0.00 0.00 0.00 174.94 175.16 1piw s ALA 229 N -0.31 2.49 0.11 9.38 0.00 -1.25 -1.66 121.76 130.51 1piw s ALA 229 Ca -0.00 -2.57 -0.15 0.00 0.00 0.00 0.00 51.96 49.23 1piw s ALA 229 Cb -0.03 -1.92 0.02 0.00 0.00 0.00 0.00 23.12 21.19 1piw s ALA 229 CO -0.00 -1.89 0.89 2.41 0.00 0.00 0.00 175.76 177.16 1piw n THR 230 N 3.85 -0.36 0.33 0.00 -1.04 0.36 0.11 114.28 117.53 1piw n THR 230 Ca 0.05 1.38 0.18 0.00 -2.04 0.00 0.00 64.05 63.62 1piw n THR 230 Cb 0.37 -1.74 0.97 0.00 -1.82 0.00 0.00 70.33 68.11 1piw n THR 230 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1piw h LEU 231 N 0.00 0.00 -2.37 -4.42 3.38 -1.59 -0.33 115.31 109.98 1piw h LEU 231 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1piw h LEU 231 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1piw h LEU 231 CO -0.55 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.36 1piw n GLU 232 N -2.94 2.36 -0.03 1.13 1.02 0.31 -4.60 120.64 117.90 1piw n GLU 232 Ca -0.02 -2.16 0.00 0.00 -0.02 0.00 0.00 57.16 54.96 1piw n GLU 232 Cb 0.25 -1.44 -0.09 0.00 -0.02 0.00 0.00 31.44 30.14 1piw n GLU 232 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1piw n GLU 233 N 1.25 1.26 0.00 3.49 -0.58 -0.14 -5.00 120.64 120.92 1piw n GLU 233 Ca 0.17 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1piw n GLU 233 Cb 0.54 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 30.13 1piw n GLU 233 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1piw n GLY 234 N 2.08 1.63 0.00 0.62 0.00 -1.24 -4.30 105.19 103.98 1piw n GLY 234 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1piw n GLY 234 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1piw n ASP 235 N 0.00 0.00 0.19 1.61 -0.08 -1.26 -5.04 116.55 111.97 1piw n ASP 235 Ca 0.00 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.34 1piw n ASP 235 Cb 0.00 0.00 0.32 0.00 2.34 0.00 0.00 41.12 43.78 1piw n ASP 235 CO 0.00 0.00 0.00 4.11 0.12 0.00 0.00 177.20 181.43 1piw h TRP 236 N 0.00 0.00 -0.34 -0.67 5.08 -1.91 -2.09 115.95 116.02 1piw h TRP 236 Ca 0.00 0.00 0.01 0.00 1.08 0.00 0.00 58.89 59.98 1piw h TRP 236 Cb 0.00 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.14 1piw h TRP 236 CO 0.00 0.38 0.20 0.78 -1.28 0.00 0.00 178.44 178.52 1piw h GLY 237 N 2.16 0.48 0.99 11.11 0.00 -1.91 0.78 103.07 116.67 1piw h GLY 237 Ca -0.00 -0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.18 1piw h GLY 237 CO 0.05 0.13 0.24 -2.09 0.00 0.00 0.00 176.54 174.88 1piw h GLU 238 N 0.41 0.48 -0.26 4.80 4.57 -1.80 -0.68 114.58 122.10 1piw h GLU 238 Ca 0.14 -0.03 -0.17 0.00 -1.18 0.00 0.00 59.36 58.12 1piw h GLU 238 Cb 0.00 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.48 1piw h GLU 238 CO -0.06 0.32 -0.50 -0.22 -1.18 0.00 0.00 179.01 177.36 1piw h LYS 239 N 0.50 0.80 -0.65 1.92 3.64 -0.67 -3.22 116.57 118.90 1piw h LYS 239 Ca 0.14 -0.51 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1piw h LYS 239 Cb -0.05 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1piw h LYS 239 CO -0.03 1.14 0.00 0.66 -2.27 0.00 0.00 179.45 178.95 1piw n TYR 240 N -4.08 1.30 -0.58 1.91 4.02 0.26 -5.01 117.16 114.97 1piw n TYR 240 Ca -0.05 -0.53 -0.20 0.00 -0.01 0.00 0.00 57.90 57.11 1piw n TYR 240 Cb 0.60 -0.20 -0.02 0.00 -0.02 0.00 0.00 39.34 39.70 1piw n TYR 240 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1piw n PHE 241 N 1.05 -0.14 -4.09 -0.72 7.35 -0.27 -2.77 117.46 117.87 1piw n PHE 241 Ca 0.23 0.41 -0.36 0.00 -0.76 0.00 0.00 57.45 56.96 1piw n PHE 241 Cb 0.79 -0.82 -0.02 0.00 0.35 0.00 0.00 39.48 39.77 1piw n PHE 241 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1piw n ASP 242 N 0.80 -1.94 0.00 -2.13 2.03 0.13 -4.84 116.55 110.60 1piw n ASP 242 Ca 0.08 -1.21 0.00 0.00 0.52 0.00 0.00 54.79 54.17 1piw n ASP 242 Cb 0.09 -2.07 0.00 0.00 -0.72 0.00 0.00 41.12 38.43 1piw n ASP 242 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1piw n THR 243 N -4.70 0.00 -3.24 5.18 5.66 0.09 -4.69 114.28 112.58 1piw n THR 243 Ca -0.21 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.40 1piw n THR 243 Cb 0.63 -0.57 -0.06 0.00 -1.55 0.00 0.00 70.33 68.79 1piw n THR 243 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1piw s PHE 244 N -1.83 3.68 -0.10 1.09 0.08 0.24 -4.70 117.98 116.44 1piw s PHE 244 Ca 0.00 1.16 -0.18 0.00 0.12 0.00 0.00 56.93 58.03 1piw s PHE 244 Cb 0.00 -2.57 -0.27 0.00 -0.57 0.00 0.00 43.02 39.61 1piw s PHE 244 CO 0.00 0.37 0.60 -0.44 -0.10 0.00 0.00 175.22 175.65 1piw h ASP 245 N 5.58 0.34 -3.83 1.36 3.32 -1.57 0.12 116.42 121.74 1piw h ASP 245 Ca -0.46 -0.85 -0.20 0.00 0.02 0.00 0.00 57.03 55.54 1piw h ASP 245 Cb 1.20 -0.11 -0.27 0.00 0.22 0.00 0.00 39.33 40.37 1piw h ASP 245 CO 0.69 1.53 -0.59 -0.22 -1.72 0.00 0.00 179.24 178.93 1piw s LEU 246 N -7.67 1.61 -0.05 1.55 2.96 -1.25 -0.79 118.68 115.04 1piw s LEU 246 Ca -0.19 0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.91 1piw s LEU 246 Cb 0.03 0.36 0.02 0.00 0.50 0.00 0.00 46.19 47.11 1piw s LEU 246 CO 0.76 -0.05 -0.08 -0.63 -1.32 0.00 0.00 176.35 175.03 1piw s ILE 247 N -0.02 0.79 -0.19 6.68 1.01 -0.50 -0.71 121.20 128.25 1piw s ILE 247 Ca -0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 1piw s ILE 247 Cb -0.01 -0.76 -0.01 0.00 0.01 0.00 0.00 42.46 41.68 1piw s ILE 247 CO 0.00 0.28 -0.06 -0.69 0.00 0.00 0.00 174.94 174.47 1piw s VAL 248 N 0.77 3.38 -0.28 2.92 1.01 -0.28 -0.83 120.40 127.08 1piw s VAL 248 Ca -0.13 -0.51 -0.16 0.00 0.00 0.00 0.00 61.98 61.18 1piw s VAL 248 Cb -0.15 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 1piw s VAL 248 CO 0.02 0.46 0.44 -0.69 0.00 0.00 0.00 175.10 175.32 1piw s VAL 249 N 1.07 5.12 -0.15 2.92 1.01 -0.33 -1.42 120.40 128.62 1piw s VAL 249 Ca 0.01 0.61 0.12 0.00 0.00 0.00 0.00 61.98 62.72 1piw s VAL 249 Cb -0.15 -3.78 0.23 0.00 0.00 0.00 0.00 36.38 32.68 1piw s VAL 249 CO -0.00 0.07 1.14 0.00 0.00 0.00 0.00 175.10 176.31 1piw s ALA 251 N -2.18 2.42 -0.09 0.00 0.00 -1.23 -4.73 121.76 115.95 1piw s ALA 251 Ca 0.23 0.94 0.28 0.00 0.00 0.00 0.00 51.96 53.41 1piw s ALA 251 Cb 0.19 -3.45 0.89 0.00 0.00 0.00 0.00 23.12 20.76 1piw s ALA 251 CO 0.04 -1.37 1.81 0.77 0.00 0.00 0.00 175.76 177.00 1piw h SER 252 N 0.49 0.00 -5.50 0.00 0.02 -1.96 -3.41 113.55 103.19 1piw h SER 252 Ca -0.49 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.25 1piw h SER 252 Cb 1.29 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.69 1piw h SER 252 CO 0.54 0.06 -0.57 -0.55 -1.14 0.00 0.00 176.83 175.17 1piw s SER 253 N -5.98 0.16 0.00 3.07 0.15 -1.26 -4.32 113.70 105.53 1piw s SER 253 Ca 0.03 -1.28 0.01 0.00 0.70 0.00 0.00 55.95 55.42 1piw s SER 253 Cb 0.08 0.38 0.02 0.00 -1.71 0.00 0.00 66.02 64.78 1piw s SER 253 CO 0.61 -0.84 0.69 0.18 1.20 0.00 0.00 173.24 175.08 1piw n LEU 254 N -0.23 1.42 -0.17 3.45 4.77 -1.26 -4.72 117.00 120.24 1piw n LEU 254 Ca -0.01 -1.31 -0.08 0.00 -0.03 0.00 0.00 56.01 54.58 1piw n LEU 254 Cb 0.65 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.74 1piw n LEU 254 CO 0.31 0.34 0.94 0.71 -1.33 0.00 0.00 177.39 178.36 1piw h THR 255 N 0.24 1.22 -1.68 -5.08 1.35 -1.98 -3.03 112.91 103.96 1piw h THR 255 Ca 0.00 -0.70 -0.75 0.00 -0.55 0.00 0.00 66.41 64.41 1piw h THR 255 Cb 0.20 0.75 -0.20 0.00 -1.73 0.00 0.00 68.15 67.16 1piw h THR 255 CO 0.00 0.26 1.51 0.47 -0.25 0.00 0.00 175.52 177.52 1piw n ASP 256 N -4.53 7.56 -3.57 5.36 10.43 -1.26 -4.84 116.55 125.70 1piw n ASP 256 Ca 0.02 -3.44 -0.11 0.00 2.57 0.00 0.00 54.79 53.83 1piw n ASP 256 Cb 0.17 -1.24 -0.10 0.00 1.84 0.00 0.00 41.12 41.79 1piw n ASP 256 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1piw s ILE 257 N -2.96 -0.55 -0.77 0.53 -1.09 -1.15 -5.01 121.20 110.21 1piw s ILE 257 Ca 0.48 0.12 -0.18 0.00 -2.23 0.00 0.00 60.65 58.84 1piw s ILE 257 Cb 0.23 -0.64 0.13 0.00 -1.58 0.00 0.00 42.46 40.60 1piw s ILE 257 CO -0.16 0.01 0.90 -0.62 -1.23 0.00 0.00 174.94 173.84 1piw s ASP 258 N 2.52 6.45 0.00 3.58 -1.08 -1.26 -4.88 116.67 122.00 1piw s ASP 258 Ca 0.04 -1.85 0.00 0.00 -0.52 0.00 0.00 52.55 50.22 1piw s ASP 258 Cb -0.13 -2.33 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 1piw s ASP 258 CO -0.12 -1.03 0.72 0.49 0.52 0.00 0.00 175.17 175.75 1piw n PHE 259 N 6.11 0.00 0.14 -5.34 3.72 -1.26 -2.29 117.46 118.54 1piw n PHE 259 Ca 0.08 -0.22 0.01 0.00 -0.05 0.00 0.00 57.45 57.27 1piw n PHE 259 Cb 0.46 -0.17 -0.01 0.00 -0.94 0.00 0.00 39.48 38.83 1piw n PHE 259 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1piw n ASN 260 N 0.23 0.52 -0.02 4.37 3.02 -1.26 -4.52 115.26 117.61 1piw n ASN 260 Ca 0.00 -0.76 -0.05 0.00 -0.03 0.00 0.00 54.58 53.74 1piw n ASN 260 Cb 0.36 0.67 -0.02 0.00 -0.61 0.00 0.00 39.78 40.18 1piw n ASN 260 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1piw n ILE 261 N -0.65 0.56 -0.22 2.41 5.41 -0.97 -4.79 119.36 121.11 1piw n ILE 261 Ca 0.01 0.03 0.09 0.00 1.00 0.00 0.00 62.75 63.88 1piw n ILE 261 Cb 0.06 -1.62 0.17 0.00 -0.71 0.00 0.00 39.64 37.54 1piw n ILE 261 CO 0.00 0.00 0.00 0.80 0.00 0.00 0.00 176.55 177.35 1piw n MET 262 N -3.36 -0.05 -0.34 0.38 1.56 -1.04 -0.37 117.12 113.89 1piw n MET 262 Ca -0.09 0.96 0.16 0.00 -0.27 0.00 0.00 57.70 58.45 1piw n MET 262 Cb 0.46 -1.51 0.35 0.00 2.15 0.00 0.00 33.22 34.67 1piw n MET 262 CO 0.00 0.00 0.00 -1.35 -0.73 0.00 0.00 175.97 173.89 1piw h PRO 263 N 0.00 0.55 -0.90 2.12 0.11 -1.86 -1.98 132.00 130.03 1piw h PRO 263 Ca 0.38 -0.03 0.17 0.00 0.11 0.00 0.00 66.00 66.63 1piw h PRO 263 Cb 0.75 -0.12 -0.10 0.00 0.11 0.00 0.00 31.00 31.63 1piw h PRO 263 CO -0.61 0.36 0.47 0.87 -0.21 0.00 0.00 178.00 178.89 1piw h LYS 264 N 0.56 0.59 0.00 1.05 1.57 -0.98 0.23 116.57 119.59 1piw h LYS 264 Ca 0.61 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.36 1piw h LYS 264 Cb 1.13 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1piw h LYS 264 CO -0.47 0.39 0.00 0.00 -0.57 0.00 0.00 179.45 178.80 1piw n ALA 265 N -2.41 2.31 -2.68 3.86 0.00 -0.75 0.19 120.51 121.03 1piw n ALA 265 Ca 0.20 -0.13 -0.38 0.00 0.00 0.00 0.00 53.44 53.12 1piw n ALA 265 Cb 0.52 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.53 1piw n ALA 265 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1piw s MET 266 N -2.20 4.35 0.98 0.00 -1.94 0.80 0.79 119.30 122.08 1piw s MET 266 Ca 0.31 0.60 -0.12 0.00 -1.71 0.00 0.00 55.69 54.77 1piw s MET 266 Cb 0.16 -3.42 0.18 0.00 2.01 0.00 0.00 34.83 33.76 1piw s MET 266 CO 0.30 0.18 1.08 0.15 -0.01 0.00 0.00 175.02 176.73 1piw s LYS 267 N 0.50 0.53 -0.07 2.03 1.02 0.42 -4.30 119.74 119.86 1piw s LYS 267 Ca 0.30 0.96 -0.30 0.00 0.02 0.00 0.00 55.97 56.95 1piw s LYS 267 Cb -0.16 -1.71 -0.05 0.00 -0.52 0.00 0.00 37.83 35.38 1piw s LYS 267 CO 0.13 -2.78 1.65 0.08 -0.92 0.00 0.00 175.35 173.51 1piw s VAL 268 N -2.74 3.60 0.00 3.17 1.01 -1.26 -0.16 120.40 124.02 1piw s VAL 268 Ca 0.66 0.72 0.00 0.00 0.00 0.00 0.00 61.98 63.36 1piw s VAL 268 Cb -0.21 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1piw s VAL 268 CO 0.59 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1piw n GLY 269 N 4.19 0.53 3.67 4.51 0.00 0.16 -5.05 105.19 113.20 1piw n GLY 269 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1piw n GLY 269 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1piw s GLY 270 N -1.09 1.66 -0.02 -0.02 0.00 0.78 -4.81 107.32 103.81 1piw s GLY 270 Ca 0.00 0.33 0.02 0.00 0.00 0.00 0.00 44.72 45.07 1piw s GLY 270 CO 0.00 0.79 -0.05 0.50 0.00 0.00 0.00 173.10 174.34 1piw s ARG 271 N -4.71 0.57 -0.23 2.90 0.52 0.03 -1.91 118.95 116.11 1piw s ARG 271 Ca 0.65 -0.16 -0.06 0.00 -0.52 0.00 0.00 55.73 55.65 1piw s ARG 271 Cb -0.21 -0.57 -0.02 0.00 0.52 0.00 0.00 34.95 34.67 1piw s ARG 271 CO 0.58 0.05 0.02 0.42 0.02 0.00 0.00 175.30 176.39 1piw s ILE 272 N 0.25 3.86 -0.20 1.52 1.01 0.21 -1.41 121.20 126.44 1piw s ILE 272 Ca -0.03 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.31 1piw s ILE 272 Cb -0.07 -2.78 0.04 0.00 0.01 0.00 0.00 42.46 39.66 1piw s ILE 272 CO -0.00 0.38 -0.12 -0.69 0.00 0.00 0.00 174.94 174.51 1piw s VAL 273 N 1.53 1.71 0.07 2.92 1.01 -0.01 -0.36 120.40 127.26 1piw s VAL 273 Ca 0.06 -1.00 -0.19 0.00 0.00 0.00 0.00 61.98 60.84 1piw s VAL 273 Cb -0.15 -1.74 -0.07 0.00 0.00 0.00 0.00 36.38 34.43 1piw s VAL 273 CO 0.00 0.22 0.57 -0.55 0.00 0.00 0.00 175.10 175.35 1piw s SER 274 N 1.38 7.06 -0.00 3.32 0.15 -0.00 -1.18 113.70 124.42 1piw s SER 274 Ca -0.01 1.25 0.12 0.00 0.70 0.00 0.00 55.95 58.01 1piw s SER 274 Cb -0.16 -2.36 -0.14 0.00 -1.71 0.00 0.00 66.02 61.65 1piw s SER 274 CO -0.09 0.26 0.45 -0.38 1.20 0.00 0.00 173.24 174.68 1piw n ILE 275 N 1.82 0.00 -2.10 6.45 2.08 0.26 -1.65 119.36 126.22 1piw n ILE 275 Ca -0.10 -0.24 -0.31 0.00 0.56 0.00 0.00 62.75 62.66 1piw n ILE 275 Cb 0.51 0.86 -0.01 0.00 -0.75 0.00 0.00 39.64 40.25 1piw n ILE 275 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1piw s SER 276 N -2.33 6.37 -0.40 4.38 1.04 -1.21 -4.86 113.70 116.70 1piw s SER 276 Ca 0.03 1.44 0.02 0.00 0.48 0.00 0.00 55.95 57.92 1piw s SER 276 Cb 0.09 -2.47 0.16 0.00 0.10 0.00 0.00 66.02 63.89 1piw s SER 276 CO 0.48 -0.75 0.29 -0.63 0.98 0.00 0.00 173.24 173.61 1piw s ILE 277 N -2.96 0.36 1.19 -1.02 1.01 -1.26 -5.00 121.20 113.53 1piw s ILE 277 Ca 0.56 -2.31 -0.19 0.00 0.00 0.00 0.00 60.65 58.70 1piw s ILE 277 Cb -0.11 -1.27 0.28 0.00 0.01 0.00 0.00 42.46 41.38 1piw s ILE 277 CO 0.46 -1.12 1.11 -2.16 0.00 0.00 0.00 174.94 173.22 1piw s PRO 278 N 0.43 -1.15 0.53 2.79 0.04 -1.26 -4.95 135.00 131.43 1piw s PRO 278 Ca 0.26 -0.03 -0.19 0.00 0.04 0.00 0.00 61.00 61.09 1piw s PRO 278 Cb -0.08 -1.60 -0.11 0.00 0.04 0.00 0.00 34.50 32.75 1piw s PRO 278 CO -0.11 -3.67 0.35 -0.85 0.04 0.00 0.00 177.00 172.76 1piw n GLU 279 N -4.74 0.38 0.33 4.56 0.28 -1.26 -4.72 120.64 115.47 1piw n GLU 279 Ca 0.13 0.15 0.14 0.00 -0.16 0.00 0.00 57.16 57.41 1piw n GLU 279 Cb 0.59 -1.49 0.75 0.00 1.43 0.00 0.00 31.44 32.73 1piw n GLU 279 CO 0.00 0.00 0.00 -0.56 -0.16 0.00 0.00 177.13 176.41 1piw h GLN 280 N 0.24 0.00 -2.72 3.44 3.07 -1.74 -3.11 115.11 114.30 1piw h GLN 280 Ca -0.44 0.00 -0.80 0.00 0.09 0.00 0.00 58.65 57.51 1piw h GLN 280 Cb 1.41 0.00 -0.29 0.00 0.08 0.00 0.00 27.48 28.69 1piw h GLN 280 CO 0.46 0.00 0.75 0.72 0.09 0.00 0.00 178.83 180.85 1piw n HIS 281 N -2.83 2.44 -3.56 0.06 8.25 -1.26 -4.94 115.22 113.38 1piw n HIS 281 Ca -0.02 -2.67 -0.14 0.00 -0.26 0.00 0.00 57.72 54.64 1piw n HIS 281 Cb 0.42 -1.19 -0.06 0.00 1.12 0.00 0.00 29.99 30.28 1piw n HIS 281 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1piw s GLU 282 N -3.15 0.81 0.31 -0.41 2.02 -1.18 -5.16 118.70 111.94 1piw s GLU 282 Ca 0.34 0.25 0.06 0.00 0.02 0.00 0.00 54.97 55.63 1piw s GLU 282 Cb 0.09 0.38 -0.06 0.00 0.10 0.00 0.00 34.13 34.64 1piw s GLU 282 CO 0.05 -0.24 -0.03 -1.64 0.02 0.00 0.00 175.26 173.42 1piw s MET 283 N -1.03 1.64 -0.52 1.61 -1.94 -1.26 -5.00 119.30 112.79 1piw s MET 283 Ca -0.06 -1.86 -0.16 0.00 -1.71 0.00 0.00 55.69 51.90 1piw s MET 283 Cb -0.01 -1.18 0.11 0.00 2.01 0.00 0.00 34.83 35.77 1piw s MET 283 CO 0.05 -0.02 0.47 -1.17 -0.01 0.00 0.00 175.02 174.34 1piw s LEU 284 N -3.49 6.03 -0.05 -0.03 2.96 -1.26 -4.95 118.68 117.89 1piw s LEU 284 Ca 0.32 -1.67 0.00 0.00 -0.22 0.00 0.00 54.13 52.57 1piw s LEU 284 Cb 0.06 -2.20 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 1piw s LEU 284 CO 0.14 -0.80 -0.03 -0.44 -1.32 0.00 0.00 176.35 173.90 1piw s SER 285 N 3.32 4.97 -0.20 3.68 0.01 -1.26 -5.10 113.70 119.12 1piw s SER 285 Ca 0.03 0.03 -0.30 0.00 1.31 0.00 0.00 55.95 57.02 1piw s SER 285 Cb -0.28 -1.31 0.15 0.00 0.21 0.00 0.00 66.02 64.78 1piw s SER 285 CO 0.04 0.34 1.13 -1.48 0.41 0.00 0.00 173.24 173.68 1piw s LEU 286 N -1.07 -0.24 -0.59 2.44 0.05 -1.26 -4.37 118.68 113.63 1piw s LEU 286 Ca 0.15 0.25 -0.25 0.00 0.05 0.00 0.00 54.13 54.32 1piw s LEU 286 Cb -0.11 1.58 0.04 0.00 -2.05 0.00 0.00 46.19 45.65 1piw s LEU 286 CO 0.04 -0.24 1.05 -0.54 -0.55 0.00 0.00 176.35 176.11 1piw s LYS 287 N -1.22 3.34 0.45 1.48 1.02 -1.26 -4.91 119.74 118.64 1piw s LYS 287 Ca 0.03 -0.19 0.34 0.00 0.02 0.00 0.00 55.97 56.17 1piw s LYS 287 Cb -0.01 -4.08 1.50 0.00 -0.52 0.00 0.00 37.83 34.73 1piw s LYS 287 CO -0.02 -1.65 1.60 -1.35 -0.92 0.00 0.00 175.35 173.00 1piw h PRO 288 N 9.48 0.03 -0.74 -1.68 0.11 -1.99 -2.52 132.00 134.70 1piw h PRO 288 Ca -0.26 -0.00 0.21 0.00 0.11 0.00 0.00 66.00 66.06 1piw h PRO 288 Cb 1.07 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1piw h PRO 288 CO 1.15 0.02 1.13 -0.92 -0.21 0.00 0.00 178.00 179.16 1piw h TYR 289 N 0.03 0.00 0.00 0.65 3.20 -2.00 0.30 116.97 119.15 1piw h TYR 289 Ca 0.86 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 62.54 1piw h TYR 289 Cb 2.84 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 41.08 1piw h TYR 289 CO -0.01 0.00 -1.29 0.78 -1.64 0.00 0.00 178.16 176.00 1piw h GLY 290 N 0.00 0.00 -3.15 1.82 0.00 -1.84 -3.36 103.07 96.55 1piw h GLY 290 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1piw h GLY 290 CO -0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 1piw n LEU 291 N -3.03 1.38 -4.57 3.11 4.77 0.10 -4.69 117.00 114.08 1piw n LEU 291 Ca -0.08 -0.63 -0.41 0.00 -0.03 0.00 0.00 56.01 54.85 1piw n LEU 291 Cb 0.88 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.67 1piw n LEU 291 CO 0.43 0.25 1.20 -0.75 -1.33 0.00 0.00 177.39 177.20 1piw s LYS 292 N 1.17 3.31 0.00 3.23 2.20 -1.26 -3.25 119.74 125.14 1piw s LYS 292 Ca 0.00 0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.85 1piw s LYS 292 Cb 0.00 -4.12 0.00 0.00 -1.51 0.00 0.00 37.83 32.20 1piw s LYS 292 CO 0.00 -1.95 0.00 0.00 -0.36 0.00 0.00 175.35 173.04 1piw n ALA 293 N 9.35 0.00 -2.70 3.13 0.00 -1.26 -4.90 120.51 124.14 1piw n ALA 293 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.23 1piw n ALA 293 Cb 0.49 -0.61 -0.16 0.00 0.00 0.00 0.00 19.45 19.16 1piw n ALA 293 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1piw s VAL 294 N -1.72 1.99 -0.13 0.00 1.01 -1.20 0.39 120.40 120.75 1piw s VAL 294 Ca 0.00 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.93 1piw s VAL 294 Cb 0.00 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 1piw s VAL 294 CO 0.00 0.56 -0.08 -0.94 0.00 0.00 0.00 175.10 174.63 1piw s SER 295 N -0.20 4.45 -0.05 3.32 1.04 -0.80 -4.66 113.70 116.80 1piw s SER 295 Ca -0.02 -0.18 0.01 0.00 0.48 0.00 0.00 55.95 56.24 1piw s SER 295 Cb -0.13 -1.57 -0.03 0.00 0.10 0.00 0.00 66.02 64.39 1piw s SER 295 CO 0.03 0.21 -0.06 -0.51 0.98 0.00 0.00 173.24 173.89 1piw s ILE 296 N 0.10 3.79 0.08 -1.02 2.07 -1.26 0.65 121.20 125.62 1piw s ILE 296 Ca -0.03 -0.53 -0.26 0.00 -1.41 0.00 0.00 60.65 58.42 1piw s ILE 296 Cb -0.14 -2.59 0.07 0.00 0.13 0.00 0.00 42.46 39.93 1piw s ILE 296 CO 0.04 0.54 0.63 -0.94 -1.91 0.00 0.00 174.94 173.30 1piw s SER 297 N -1.01 -0.60 -0.01 4.50 1.04 0.51 -4.95 113.70 113.19 1piw s SER 297 Ca 0.14 0.26 -0.04 0.00 0.48 0.00 0.00 55.95 56.79 1piw s SER 297 Cb -0.11 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 1piw s SER 297 CO 0.03 -0.84 0.20 -0.47 0.98 0.00 0.00 173.24 173.15 1piw s TYR 298 N -2.82 3.56 0.00 5.02 5.04 -1.26 -0.82 117.35 126.06 1piw s TYR 298 Ca -0.03 0.41 0.03 0.00 -2.44 0.00 0.00 57.07 55.04 1piw s TYR 298 Cb -0.01 -1.87 -0.01 0.00 0.35 0.00 0.00 41.96 40.43 1piw s TYR 298 CO -0.05 0.64 -0.11 0.45 -1.34 0.00 0.00 175.55 175.15 1piw s SER 299 N -1.87 1.23 0.00 4.32 0.15 -0.66 -4.91 113.70 111.97 1piw s SER 299 Ca 0.27 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1piw s SER 299 Cb -0.13 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 1piw s SER 299 CO 0.18 0.09 0.00 0.00 1.20 0.00 0.00 173.24 174.71 1piw n ALA 300 N 2.59 0.00 -1.00 5.45 0.00 -1.26 -4.67 120.51 121.63 1piw n ALA 300 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1piw n ALA 300 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1piw n ALA 300 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1piw n LEU 301 N 0.00 0.00 -4.87 0.00 4.77 -1.26 -4.81 117.00 110.83 1piw n LEU 301 Ca 0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.72 1piw n LEU 301 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1piw n LEU 301 CO 0.00 -0.76 -0.01 -0.83 -1.33 0.00 0.00 177.39 174.46 1piw s GLY 302 N -1.66 2.40 0.63 -0.72 0.00 -1.26 -4.90 107.32 101.82 1piw s GLY 302 Ca 0.00 -1.35 -0.10 0.00 0.00 0.00 0.00 44.72 43.27 1piw s GLY 302 CO 0.00 -1.94 1.02 -1.35 0.00 0.00 0.00 173.10 170.84 1piw s SER 303 N -4.18 5.96 0.38 1.64 1.04 -1.26 -4.66 113.70 112.62 1piw s SER 303 Ca 0.34 1.25 0.12 0.00 0.48 0.00 0.00 55.95 58.14 1piw s SER 303 Cb -0.01 -2.25 0.74 0.00 0.10 0.00 0.00 66.02 64.60 1piw s SER 303 CO 0.20 -1.00 1.84 0.16 0.98 0.00 0.00 173.24 175.43 1piw h ILE 304 N -0.37 1.25 0.46 -1.02 -0.00 -1.93 0.08 117.51 115.98 1piw h ILE 304 Ca -0.45 -1.18 -0.02 0.00 -0.00 0.00 0.00 64.86 63.21 1piw h ILE 304 Cb 1.21 1.62 0.00 0.00 -0.00 0.00 0.00 36.82 39.65 1piw h ILE 304 CO 0.62 0.34 -0.25 0.50 -0.00 0.00 0.00 178.15 179.37 1piw h LYS 305 N 0.03 -0.64 -0.84 0.16 3.64 -1.94 -0.03 116.57 116.94 1piw h LYS 305 Ca 0.00 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1piw h LYS 305 Cb 0.61 0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.52 1piw h LYS 305 CO 0.04 -0.43 0.55 0.93 -2.27 0.00 0.00 179.45 178.28 1piw h GLU 306 N -0.66 0.93 -0.50 1.90 5.08 -1.86 0.51 114.58 119.97 1piw h GLU 306 Ca -0.06 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1piw h GLU 306 Cb 0.52 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1piw h GLU 306 CO 0.08 0.61 0.28 1.25 -1.00 0.00 0.00 179.01 180.23 1piw h LEU 307 N 0.95 0.61 -0.03 1.33 5.85 0.02 0.57 115.31 124.60 1piw h LEU 307 Ca 0.36 -0.04 -0.26 0.00 0.84 0.00 0.00 57.88 58.78 1piw h LEU 307 Cb 0.19 -0.15 0.02 0.00 0.37 0.00 0.00 40.66 41.08 1piw h LEU 307 CO -0.13 0.49 -1.05 0.78 -0.34 0.00 0.00 178.44 178.19 1piw h ASN 308 N 0.70 0.77 -0.66 1.25 2.35 0.41 -2.18 115.58 118.21 1piw h ASN 308 Ca 0.18 -0.64 0.08 0.00 -0.55 0.00 0.00 56.30 55.38 1piw h ASN 308 Cb 0.01 -0.24 -0.07 0.00 0.05 0.00 0.00 38.32 38.08 1piw h ASN 308 CO -0.03 1.44 0.32 1.56 -1.65 0.00 0.00 177.43 179.07 1piw h GLN 309 N 0.31 0.55 0.14 0.81 4.20 0.06 0.72 115.11 121.91 1piw h GLN 309 Ca -0.12 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 1piw h GLN 309 Cb 1.71 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 29.36 1piw h GLN 309 CO 0.20 0.37 -0.07 1.25 -0.67 0.00 0.00 178.83 179.91 1piw h LEU 310 N 0.57 -0.16 -1.40 1.46 5.85 -0.91 -0.95 115.31 119.77 1piw h LEU 310 Ca 0.32 -0.21 0.18 0.00 0.84 0.00 0.00 57.88 59.01 1piw h LEU 310 Cb 0.31 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.31 1piw h LEU 310 CO -0.25 0.13 0.59 -0.07 -0.34 0.00 0.00 178.44 178.50 1piw h LEU 311 N -0.46 0.51 0.05 2.25 3.38 -0.97 0.14 115.31 120.21 1piw h LEU 311 Ca -0.02 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1piw h LEU 311 Cb 0.36 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1piw h LEU 311 CO 0.03 0.22 -0.02 0.50 0.09 0.00 0.00 178.44 179.26 1piw h LYS 312 N 0.52 -0.06 0.49 1.13 3.64 -0.44 -2.24 116.57 119.61 1piw h LYS 312 Ca 0.47 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.84 1piw h LYS 312 Cb 1.01 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1piw h LYS 312 CO -0.20 0.23 -0.34 1.25 -2.27 0.00 0.00 179.45 178.11 1piw h LEU 313 N -0.34 -0.88 -0.98 5.20 5.85 0.42 0.32 115.31 124.90 1piw h LEU 313 Ca -0.01 0.06 0.15 0.00 0.84 0.00 0.00 57.88 58.92 1piw h LEU 313 Cb 0.31 0.27 -0.09 0.00 0.37 0.00 0.00 40.66 41.52 1piw h LEU 313 CO 0.01 -0.52 0.60 0.58 -0.34 0.00 0.00 178.44 178.77 1piw h VAL 314 N -0.80 0.81 -0.12 1.05 2.07 -0.90 0.55 116.25 118.90 1piw h VAL 314 Ca -0.05 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1piw h VAL 314 Cb 0.67 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1piw h VAL 314 CO 0.03 0.16 0.00 -1.28 0.02 0.00 0.00 177.57 176.49 1piw h SER 315 N 0.85 0.21 0.30 0.57 0.87 -0.87 0.66 113.55 116.14 1piw h SER 315 Ca 0.52 -0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 1piw h SER 315 Cb 0.67 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1piw h SER 315 CO -0.32 0.46 -0.15 -0.33 -0.53 0.00 0.00 176.83 175.96 1piw h GLU 316 N -0.05 -0.39 -0.85 2.24 5.08 0.47 -3.13 114.58 117.94 1piw h GLU 316 Ca 0.04 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1piw h GLU 316 Cb 0.35 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1piw h GLU 316 CO 0.01 -0.26 0.00 1.63 -1.00 0.00 0.00 179.01 179.39 1piw n LYS 317 N -3.87 0.86 -3.50 2.33 5.02 0.11 -4.88 118.16 114.23 1piw n LYS 317 Ca -0.05 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.99 1piw n LYS 317 Cb 0.16 -1.43 0.01 0.00 -0.02 0.00 0.00 35.03 33.75 1piw n LYS 317 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1piw n ASP 318 N 0.07 -4.24 -4.75 4.39 2.03 -0.79 -4.92 116.55 108.34 1piw n ASP 318 Ca 0.00 -0.67 -0.40 0.00 0.52 0.00 0.00 54.79 54.24 1piw n ASP 318 Cb 0.21 -1.36 -0.05 0.00 -0.72 0.00 0.00 41.12 39.20 1piw n ASP 318 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1piw s ILE 319 N -2.44 4.76 -0.32 5.18 -1.09 0.22 -5.00 121.20 122.50 1piw s ILE 319 Ca 0.08 1.55 0.03 0.00 -2.23 0.00 0.00 60.65 60.08 1piw s ILE 319 Cb -0.01 -4.08 0.10 0.00 -1.58 0.00 0.00 42.46 36.89 1piw s ILE 319 CO 0.77 0.38 0.05 -0.75 -1.23 0.00 0.00 174.94 174.15 1piw s LYS 320 N -0.12 1.35 0.78 2.79 2.36 -1.26 -4.88 119.74 120.76 1piw s LYS 320 Ca 0.37 -1.62 -0.12 0.00 -2.55 0.00 0.00 55.97 52.05 1piw s LYS 320 Cb -0.20 -2.88 0.06 0.00 -1.05 0.00 0.00 37.83 33.76 1piw s LYS 320 CO 0.22 -0.91 1.15 0.96 1.55 0.00 0.00 175.35 178.31 1piw s ILE 321 N 1.10 2.52 -0.55 5.43 -4.36 -1.26 -5.00 121.20 119.07 1piw s ILE 321 Ca 0.09 0.17 -0.22 0.00 -0.26 0.00 0.00 60.65 60.42 1piw s ILE 321 Cb -0.19 -3.15 0.05 0.00 1.25 0.00 0.00 42.46 40.43 1piw s ILE 321 CO -0.12 -0.22 0.83 0.26 0.24 0.00 0.00 174.94 175.94 1piw s TRP 322 N -3.48 2.87 0.05 1.37 0.52 -1.26 -5.02 118.94 113.98 1piw s TRP 322 Ca 0.61 -0.31 0.07 0.00 0.02 0.00 0.00 56.10 56.49 1piw s TRP 322 Cb -0.11 -3.93 -0.03 0.00 -1.15 0.00 0.00 33.47 28.25 1piw s TRP 322 CO 0.50 -1.29 -0.18 0.08 0.02 0.00 0.00 176.95 176.08 1piw s VAL 323 N 3.48 1.48 0.13 4.03 1.01 -1.26 -1.40 120.40 127.87 1piw s VAL 323 Ca 0.23 -1.20 0.11 0.00 0.00 0.00 0.00 61.98 61.12 1piw s VAL 323 Cb -0.16 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1piw s VAL 323 CO 0.15 0.08 -0.25 -0.70 0.00 0.00 0.00 175.10 174.37 1piw s GLU 324 N -1.32 1.47 0.03 2.72 2.12 0.35 -4.92 118.70 119.15 1piw s GLU 324 Ca 0.05 -1.33 0.07 0.00 0.36 0.00 0.00 54.97 54.12 1piw s GLU 324 Cb -0.09 -1.93 -0.03 0.00 0.26 0.00 0.00 34.13 32.34 1piw s GLU 324 CO 0.02 0.45 -0.20 0.95 -0.54 0.00 0.00 175.26 175.95 1piw s THR 325 N -1.11 2.65 0.02 -1.70 -4.23 -1.26 -1.65 115.64 108.36 1piw s THR 325 Ca 0.15 -1.18 0.01 0.00 -1.18 0.00 0.00 61.69 59.50 1piw s THR 325 Cb -0.10 -2.09 -0.02 0.00 1.34 0.00 0.00 72.50 71.64 1piw s THR 325 CO 0.07 0.38 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.72 1piw s LEU 326 N -1.29 2.17 0.20 4.79 1.43 -1.20 -4.96 118.68 119.82 1piw s LEU 326 Ca 0.14 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.55 1piw s LEU 326 Cb -0.10 -0.11 -0.08 0.00 0.03 0.00 0.00 46.19 45.93 1piw s LEU 326 CO 0.04 -0.15 1.00 -2.16 0.23 0.00 0.00 176.35 175.31 1piw s PRO 327 N -1.08 4.73 0.76 1.29 0.04 -1.26 -1.04 135.00 138.44 1piw s PRO 327 Ca -0.08 1.57 -0.14 0.00 0.04 0.00 0.00 61.00 62.40 1piw s PRO 327 Cb -0.07 -3.29 0.06 0.00 0.04 0.00 0.00 34.50 31.23 1piw s PRO 327 CO -0.00 0.30 1.19 0.08 0.04 0.00 0.00 177.00 178.61 1piw s VAL 328 N -0.67 2.37 0.00 -0.36 1.01 -0.62 -3.63 120.40 118.49 1piw s VAL 328 Ca 0.45 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1piw s VAL 328 Cb -0.27 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1piw s VAL 328 CO 0.33 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1piw n GLY 329 N 0.22 3.56 0.26 4.51 0.00 -1.26 -4.71 105.19 107.77 1piw n GLY 329 Ca 0.13 -1.75 0.01 0.00 0.00 0.00 0.00 46.02 44.41 1piw n GLY 329 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1piw h GLU 330 N 0.00 0.59 -0.55 1.61 5.08 -1.90 -1.55 114.58 117.87 1piw h GLU 330 Ca 0.00 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 1piw h GLU 330 Cb 0.00 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1piw h GLU 330 CO 0.00 0.39 -0.09 0.00 -1.00 0.00 0.00 179.01 178.32 1piw h ALA 331 N 1.41 0.81 -0.09 3.43 0.00 -1.90 -1.82 119.26 121.10 1piw h ALA 331 Ca 0.34 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1piw h ALA 331 Cb 0.33 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1piw h ALA 331 CO -0.25 0.67 -0.08 0.78 0.00 0.00 0.00 179.25 180.37 1piw h GLY 332 N 0.95 0.23 2.00 0.00 0.00 -1.52 -2.36 103.07 102.36 1piw h GLY 332 Ca 0.15 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 1piw h GLY 332 CO 0.04 0.20 -0.20 -2.08 0.00 0.00 0.00 176.54 174.51 1piw h VAL 333 N -0.20 0.84 0.17 4.60 2.07 -1.34 0.16 116.25 122.54 1piw h VAL 333 Ca 0.01 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1piw h VAL 333 Cb 0.58 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1piw h VAL 333 CO 0.02 0.19 -0.08 -0.74 0.02 0.00 0.00 177.57 176.98 1piw h HIS 334 N 0.00 -0.21 -0.84 1.57 6.17 -1.21 0.73 115.15 121.35 1piw h HIS 334 Ca -0.00 -0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.05 1piw h HIS 334 Cb 0.44 0.07 -0.04 0.00 2.52 0.00 0.00 27.41 30.40 1piw h HIS 334 CO 0.00 0.09 0.44 1.49 0.71 0.00 0.00 177.93 180.67 1piw h GLU 335 N -0.52 1.18 0.34 5.26 4.81 -0.97 0.42 114.58 125.08 1piw h GLU 335 Ca -0.02 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 1piw h GLU 335 Cb 0.40 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1piw h GLU 335 CO 0.04 0.87 -0.16 0.00 -0.73 0.00 0.00 179.01 179.03 1piw h ALA 336 N 1.31 -0.45 -0.49 2.92 0.00 -0.59 -0.86 119.26 121.10 1piw h ALA 336 Ca 0.29 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1piw h ALA 336 Cb 0.05 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1piw h ALA 336 CO -0.04 -0.71 0.27 0.74 0.00 0.00 0.00 179.25 179.51 1piw h PHE 337 N -0.54 0.67 0.30 0.00 0.05 -0.47 -1.05 116.94 115.90 1piw h PHE 337 Ca -0.05 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.73 1piw h PHE 337 Cb 0.40 -0.22 -0.03 0.00 2.00 0.00 0.00 35.95 38.11 1piw h PHE 337 CO -0.03 0.50 -0.37 1.49 -0.18 0.00 0.00 178.31 179.72 1piw h GLU 338 N 0.65 -0.68 -0.63 1.51 4.57 -0.09 -2.24 114.58 117.66 1piw h GLU 338 Ca 0.17 0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.36 1piw h GLU 338 Cb 0.04 0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 1piw h GLU 338 CO -0.03 -0.46 0.23 0.00 -1.18 0.00 0.00 179.01 177.58 1piw h ARG 339 N -0.71 0.94 -0.99 1.92 3.08 -1.08 -2.19 114.38 115.34 1piw h ARG 339 Ca -0.01 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 59.91 1piw h ARG 339 Cb 0.66 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.50 1piw h ARG 339 CO -0.11 0.78 0.65 0.52 -1.07 0.00 0.00 179.97 180.74 1piw h MET 340 N 0.92 1.23 -0.48 0.04 2.86 -1.00 0.35 114.93 118.85 1piw h MET 340 Ca 0.21 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.75 1piw h MET 340 Cb 0.21 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1piw h MET 340 CO -0.02 0.82 0.18 1.49 1.06 0.00 0.00 176.91 180.45 1piw h GLU 341 N 1.27 0.72 0.00 1.72 4.81 -0.85 -1.43 114.58 120.83 1piw h GLU 341 Ca 0.39 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1piw h GLU 341 Cb -0.03 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1piw h GLU 341 CO -0.11 0.65 0.00 1.63 -0.73 0.00 0.00 179.01 180.45 1piw n LYS 342 N -4.57 0.41 -1.61 1.92 4.01 -0.44 -4.84 118.16 113.04 1piw n LYS 342 Ca 0.01 0.06 -0.18 0.00 -0.51 0.00 0.00 58.31 57.70 1piw n LYS 342 Cb 0.16 -1.50 -0.07 0.00 -0.51 0.00 0.00 35.03 33.11 1piw n LYS 342 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1piw n GLY 343 N 0.47 1.49 2.44 0.72 0.00 0.10 -4.86 105.19 105.56 1piw n GLY 343 Ca 0.12 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 1piw n GLY 343 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1piw n ASP 344 N -0.90 6.61 -4.18 1.61 4.64 -0.06 -4.89 116.55 119.38 1piw n ASP 344 Ca -0.18 -3.13 -0.29 0.00 -1.38 0.00 0.00 54.79 49.81 1piw n ASP 344 Cb 0.59 -1.27 -0.17 0.00 -1.04 0.00 0.00 41.12 39.23 1piw n ASP 344 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1piw s VAL 345 N -1.75 1.77 0.00 5.18 1.01 -1.26 -4.83 120.40 120.52 1piw s VAL 345 Ca 0.59 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 1piw s VAL 345 Cb 0.35 -1.53 -0.20 0.00 0.00 0.00 0.00 36.38 35.00 1piw s VAL 345 CO -0.18 0.50 3.16 -1.14 0.00 0.00 0.00 175.10 177.44 1piw n ARG 346 N 3.33 1.71 0.00 2.72 3.00 -1.26 -4.74 116.66 121.42 1piw n ARG 346 Ca -0.19 -0.73 0.00 0.00 -0.00 0.00 0.00 57.85 56.93 1piw n ARG 346 Cb 0.52 -1.74 0.00 0.00 0.00 0.00 0.00 32.46 31.25 1piw n ARG 346 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1piw n TYR 347 N 2.25 0.00 -4.12 -0.14 4.02 -1.26 -4.39 117.16 113.53 1piw n TYR 347 Ca 0.31 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 58.04 1piw n TYR 347 Cb 0.80 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.97 1piw n TYR 347 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1piw s ARG 348 N 0.00 0.48 -0.12 -0.72 1.81 -0.49 -3.75 118.95 116.16 1piw s ARG 348 Ca 0.00 -0.12 -0.06 0.00 -1.72 0.00 0.00 55.73 53.83 1piw s ARG 348 Cb 0.00 -0.50 -0.04 0.00 -0.45 0.00 0.00 34.95 33.96 1piw s ARG 348 CO 0.00 0.03 0.11 -0.06 -0.68 0.00 0.00 175.30 174.70 1piw s PHE 349 N 0.29 3.49 -0.18 -0.53 2.99 -1.26 0.13 117.98 122.90 1piw s PHE 349 Ca -0.03 0.44 -0.03 0.00 0.00 0.00 0.00 56.93 57.31 1piw s PHE 349 Cb -0.07 -1.92 0.06 0.00 0.00 0.00 0.00 43.02 41.09 1piw s PHE 349 CO -0.00 0.65 0.04 0.99 -0.00 0.00 0.00 175.22 176.89 1piw s THR 350 N -0.90 0.48 0.20 0.64 2.01 -0.66 -1.30 115.64 116.12 1piw s THR 350 Ca 0.14 -0.49 -0.31 0.00 0.31 0.00 0.00 61.69 61.34 1piw s THR 350 Cb -0.12 -0.97 -0.10 0.00 0.01 0.00 0.00 72.50 71.32 1piw s THR 350 CO 0.03 -0.18 1.46 -0.76 -0.69 0.00 0.00 174.62 174.48 1piw s LEU 351 N 1.88 4.38 0.00 4.42 1.43 0.12 -3.22 118.68 127.69 1piw s LEU 351 Ca -0.00 2.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.67 1piw s LEU 351 Cb -0.17 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.45 1piw s LEU 351 CO -0.08 -0.71 0.00 1.33 0.23 0.00 0.00 176.35 177.12 1piw n VAL 352 N 3.09 0.00 -3.72 -1.59 0.24 -0.21 -1.60 118.33 114.53 1piw n VAL 352 Ca 0.09 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.17 1piw n VAL 352 Cb 0.40 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 32.80 1piw n VAL 352 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1piw n GLY 353 N 1.19 -0.31 0.15 7.63 0.00 -1.26 -1.59 105.19 111.01 1piw n GLY 353 Ca 0.00 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 1piw n GLY 353 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1piw h TYR 354 N -1.90 0.49 0.00 1.61 0.05 -1.88 -3.30 116.97 112.04 1piw h TYR 354 Ca -0.61 -0.25 -0.10 0.00 0.05 0.00 0.00 58.73 57.82 1piw h TYR 354 Cb 1.36 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 39.02 1piw h TYR 354 CO 0.47 1.04 -0.49 0.38 -1.05 0.00 0.00 178.16 178.51 1piw h ASP 355 N 0.21 0.00 -0.96 3.88 -0.00 -1.90 -2.80 116.42 114.85 1piw h ASP 355 Ca -0.05 0.00 -0.53 0.00 -0.00 0.00 0.00 57.03 56.45 1piw h ASP 355 Cb 1.45 0.00 -0.29 0.00 -0.00 0.00 0.00 39.33 40.49 1piw h ASP 355 CO 0.14 0.49 0.67 2.29 -0.00 0.00 0.00 179.24 182.84 1piw n LYS 356 N -3.43 2.28 0.00 4.15 2.85 -1.24 -3.79 118.16 118.98 1piw n LYS 356 Ca 0.00 -2.93 0.00 0.00 -1.05 0.00 0.00 58.31 54.33 1piw n LYS 356 Cb 0.63 -2.15 0.00 0.00 -0.65 0.00 0.00 35.03 32.86 1piw n LYS 356 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1piw n GLU 357 N -1.02 0.00 -0.00 -1.58 4.07 -1.18 -4.92 120.64 116.01 1piw n GLU 357 Ca 0.58 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.75 1piw n GLU 357 Cb 1.42 -0.49 -0.10 0.00 -0.06 0.00 0.00 31.44 32.21 1piw n GLU 357 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1piw n PHE 358 N -0.51 0.00 0.00 4.31 3.01 -1.07 -5.04 117.46 118.16 1piw n PHE 358 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1piw n PHE 358 Cb 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.35 1piw n PHE 358 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1piw n SER 359 N -1.59 0.00 0.00 4.37 3.41 -1.25 -5.09 113.62 113.47 1piw n SER 359 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1piw n SER 359 Cb 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1piw n SER 359 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35