#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i91 s HIS 4 N 0.00 -0.01 0.67 1.57 5.04 -1.26 -5.17 115.29 116.14 1i91 s HIS 4 Ca 0.00 0.01 -0.16 0.00 -1.54 0.00 0.00 55.06 53.37 1i91 s HIS 4 Cb 0.00 0.50 0.01 0.00 0.04 0.00 0.00 32.58 33.13 1i91 s HIS 4 CO 0.00 -0.01 1.19 1.67 -2.34 0.00 0.00 174.74 175.26 1i91 s TRP 5 N -0.99 2.25 0.00 3.88 1.48 -1.26 -4.87 118.94 119.43 1i91 s TRP 5 Ca 0.10 1.56 0.00 0.00 -1.06 0.00 0.00 56.10 56.70 1i91 s TRP 5 Cb -0.01 -3.43 0.00 0.00 -1.16 0.00 0.00 33.47 28.87 1i91 s TRP 5 CO -0.09 -2.34 0.00 0.41 -4.06 0.00 0.00 176.95 170.87 1i91 n GLY 6 N 0.29 2.73 0.09 3.67 0.00 -0.43 -5.04 105.19 106.49 1i91 n GLY 6 Ca 0.13 -0.80 0.03 0.00 0.00 0.00 0.00 46.02 45.38 1i91 n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1i91 n TYR 7 N 0.00 0.06 -2.54 1.61 4.01 -1.26 -3.68 117.16 115.36 1i91 n TYR 7 Ca 0.00 -0.63 -0.24 0.00 -0.16 0.00 0.00 57.90 56.87 1i91 n TYR 7 Cb 0.00 -0.08 0.11 0.00 -0.31 0.00 0.00 39.34 39.06 1i91 n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1i91 s GLY 8 N -1.47 1.76 0.21 2.72 0.00 -1.26 -4.68 107.32 104.60 1i91 s GLY 8 Ca 0.11 -1.65 -0.17 0.00 0.00 0.00 0.00 44.72 43.00 1i91 s GLY 8 CO 0.02 -1.09 1.46 0.28 0.00 0.00 0.00 173.10 173.77 1i91 n LYS 9 N -2.86 -0.23 0.00 2.90 4.76 -1.26 -0.91 118.16 120.56 1i91 n LYS 9 Ca 0.14 1.45 0.13 0.00 -2.87 0.00 0.00 58.31 57.16 1i91 n LYS 9 Cb 0.60 -2.14 0.44 0.00 -1.84 0.00 0.00 35.03 32.09 1i91 n LYS 9 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1i91 n HIS 10 N -5.37 0.00 -2.06 2.13 8.25 -1.26 -4.26 115.22 112.65 1i91 n HIS 10 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1i91 n HIS 10 Cb 0.37 -0.19 -0.00 0.00 1.12 0.00 0.00 29.99 31.28 1i91 n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1i91 n ASN 11 N -0.98 0.08 -3.25 0.41 6.94 -0.99 -4.96 115.26 112.51 1i91 n ASN 11 Ca 0.11 -1.77 -0.21 0.00 -0.02 0.00 0.00 54.58 52.69 1i91 n ASN 11 Cb 0.32 -0.14 0.17 0.00 -2.36 0.00 0.00 39.78 37.77 1i91 n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1i91 n GLY 12 N 0.06 -2.37 0.42 4.83 0.00 -0.09 -1.32 105.19 106.73 1i91 n GLY 12 Ca -0.01 -1.53 0.24 0.00 0.00 0.00 0.00 46.02 44.73 1i91 n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1i91 h PRO 13 N 0.00 0.33 0.00 1.61 0.11 -1.87 0.34 132.00 132.53 1i91 h PRO 13 Ca -0.29 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.77 1i91 h PRO 13 Cb 0.86 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 1i91 h PRO 13 CO 0.19 0.22 -0.14 0.93 -0.21 0.00 0.00 178.00 179.00 1i91 h GLU 14 N 0.34 0.00 0.00 1.05 3.07 -1.95 -2.82 114.58 114.27 1i91 h GLU 14 Ca 0.60 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.46 1i91 h GLU 14 Cb 1.61 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.52 1i91 h GLU 14 CO -0.27 0.14 -1.48 0.72 -1.40 0.00 0.00 179.01 176.72 1i91 n HIS 15 N -3.65 0.52 -0.32 4.33 8.25 0.09 -4.56 115.22 119.88 1i91 n HIS 15 Ca -0.02 0.15 0.27 0.00 -0.26 0.00 0.00 57.72 57.86 1i91 n HIS 15 Cb 0.26 -0.75 0.58 0.00 1.12 0.00 0.00 29.99 31.20 1i91 n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1i91 h TRP 16 N 0.00 0.46 0.00 4.41 6.55 -1.28 -1.14 115.95 124.95 1i91 h TRP 16 Ca -0.00 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 59.85 1i91 h TRP 16 Cb 1.01 -0.13 -0.00 0.00 -0.86 0.00 0.00 29.16 29.18 1i91 h TRP 16 CO 0.00 0.03 -0.03 1.12 -1.05 0.00 0.00 178.44 178.51 1i91 h HIS 17 N 0.27 0.00 -0.55 0.49 2.07 -1.77 -0.92 115.15 114.73 1i91 h HIS 17 Ca 0.59 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 58.07 1i91 h HIS 17 Cb 1.74 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.69 1i91 h HIS 17 CO -0.00 0.03 0.22 0.87 -3.07 0.00 0.00 177.93 175.97 1i91 h LYS 18 N 0.00 0.83 0.00 5.12 1.57 -1.54 -3.16 116.57 119.38 1i91 h LYS 18 Ca -0.00 -0.15 -0.33 0.00 -1.87 0.00 0.00 60.65 58.30 1i91 h LYS 18 Cb 0.16 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 1i91 h LYS 18 CO 0.00 0.72 -2.07 -0.25 -0.57 0.00 0.00 179.45 177.29 1i91 n ASP 19 N -4.50 0.40 -3.95 0.86 8.00 -1.11 -4.67 116.55 111.57 1i91 n ASP 19 Ca 0.03 0.19 -0.30 0.00 0.71 0.00 0.00 54.79 55.41 1i91 n ASP 19 Cb 0.16 0.54 -0.12 0.00 -0.02 0.00 0.00 41.12 41.69 1i91 n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1i91 s PHE 20 N -2.56 3.52 0.54 1.24 0.08 -0.37 -4.96 117.98 115.48 1i91 s PHE 20 Ca -0.07 -3.22 0.34 0.00 0.12 0.00 0.00 56.93 54.10 1i91 s PHE 20 Cb 0.07 -2.84 1.52 0.00 -0.57 0.00 0.00 43.02 41.19 1i91 s PHE 20 CO 0.83 -0.64 1.84 -1.35 -0.10 0.00 0.00 175.22 175.80 1i91 h PRO 21 N 5.84 0.00 0.00 0.24 0.11 -1.79 -1.75 132.00 134.65 1i91 h PRO 21 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1i91 h PRO 21 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1i91 h PRO 21 CO 0.73 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 180.03 1i91 n ILE 22 N -4.20 1.44 0.23 4.15 3.06 -1.26 -2.72 119.36 120.06 1i91 n ILE 22 Ca 0.22 0.46 0.16 0.00 -2.50 0.00 0.00 62.75 61.09 1i91 n ILE 22 Cb 1.11 -1.40 0.85 0.00 0.54 0.00 0.00 39.64 40.75 1i91 n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1i91 h ALA 23 N 2.15 1.73 -0.56 1.51 0.00 -1.63 0.30 119.26 122.75 1i91 h ALA 23 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1i91 h ALA 23 Cb 0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1i91 h ALA 23 CO 0.00 -0.21 0.00 1.63 0.00 0.00 0.00 179.25 180.67 1i91 n LYS 24 N -3.82 3.87 -0.21 0.00 5.02 -1.10 -4.97 118.16 116.94 1i91 n LYS 24 Ca 0.00 -2.90 -0.07 0.00 -2.02 0.00 0.00 58.31 53.32 1i91 n LYS 24 Cb 0.25 -1.94 0.06 0.00 -0.02 0.00 0.00 35.03 33.38 1i91 n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i91 n GLY 25 N 0.75 -2.73 0.09 0.72 0.00 0.09 -5.01 105.19 99.10 1i91 n GLY 25 Ca 0.25 -1.42 -0.12 0.00 0.00 0.00 0.00 46.02 44.72 1i91 n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1i91 h GLU 26 N 0.00 0.16 -2.14 1.61 4.39 -1.95 -3.39 114.58 113.26 1i91 h GLU 26 Ca -0.09 -0.27 -0.55 0.00 0.34 0.00 0.00 59.36 58.78 1i91 h GLU 26 Cb 0.29 0.10 -0.41 0.00 -0.10 0.00 0.00 28.75 28.62 1i91 h GLU 26 CO 0.06 1.09 -0.82 2.89 -1.16 0.00 0.00 179.01 181.07 1i91 n ARG 27 N -3.43 2.54 -3.15 2.33 1.85 -1.26 -4.73 116.66 110.80 1i91 n ARG 27 Ca -0.07 -4.37 -0.30 0.00 -1.00 0.00 0.00 57.85 52.10 1i91 n ARG 27 Cb 1.00 -2.06 -0.04 0.00 -1.05 0.00 0.00 32.46 30.31 1i91 n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1i91 s GLN 28 N -3.16 3.75 0.27 2.89 -1.52 -1.26 -2.45 119.66 118.17 1i91 s GLN 28 Ca 0.46 0.29 0.06 0.00 -1.95 0.00 0.00 55.36 54.22 1i91 s GLN 28 Cb 0.31 -2.53 -0.06 0.00 -0.22 0.00 0.00 33.01 30.52 1i91 s GLN 28 CO -0.12 0.13 -0.06 -1.12 -0.25 0.00 0.00 175.29 173.87 1i91 s SER 29 N -2.95 2.66 0.76 5.90 0.01 -1.26 -4.65 113.70 114.17 1i91 s SER 29 Ca 0.48 -1.19 -0.06 0.00 1.31 0.00 0.00 55.95 56.50 1i91 s SER 29 Cb -0.11 -0.15 0.12 0.00 0.21 0.00 0.00 66.02 66.09 1i91 s SER 29 CO 0.28 -0.35 1.05 -2.16 0.41 0.00 0.00 173.24 172.47 1i91 s PRO 30 N -3.74 1.66 0.31 12.44 0.04 -1.26 -4.62 135.00 139.83 1i91 s PRO 30 Ca 0.29 -0.69 0.03 0.00 0.04 0.00 0.00 61.00 60.67 1i91 s PRO 30 Cb 0.04 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 1i91 s PRO 30 CO 0.11 -1.54 0.09 0.14 0.04 0.00 0.00 177.00 175.84 1i91 s VAL 31 N -3.31 0.84 -0.18 -0.36 -7.23 -1.26 0.74 120.40 109.65 1i91 s VAL 31 Ca 0.65 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.66 1i91 s VAL 31 Cb -0.07 -2.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 1i91 s VAL 31 CO 0.46 0.00 0.41 -0.62 -0.31 0.00 0.00 175.10 175.04 1i91 s ASP 32 N -3.43 6.49 -0.51 4.85 2.15 -1.26 -3.19 116.67 121.77 1i91 s ASP 32 Ca 0.36 0.58 -0.23 0.00 0.43 0.00 0.00 52.55 53.68 1i91 s ASP 32 Cb 0.08 -2.24 0.04 0.00 -0.30 0.00 0.00 42.92 40.49 1i91 s ASP 32 CO 0.15 -0.06 0.85 -0.63 -0.17 0.00 0.00 175.17 175.31 1i91 s ILE 33 N 1.17 4.54 -0.56 4.11 1.01 0.22 -4.93 121.20 126.75 1i91 s ILE 33 Ca 0.20 0.23 -0.21 0.00 0.00 0.00 0.00 60.65 60.87 1i91 s ILE 33 Cb -0.15 -4.44 0.06 0.00 0.01 0.00 0.00 42.46 37.95 1i91 s ILE 33 CO 0.08 -0.94 0.79 -0.62 0.00 0.00 0.00 174.94 174.24 1i91 s ASP 34 N 2.59 6.24 0.57 3.58 -1.08 -1.26 -0.40 116.67 126.90 1i91 s ASP 34 Ca 0.28 -0.87 0.28 0.00 -0.52 0.00 0.00 52.55 51.73 1i91 s ASP 34 Cb -0.13 -2.35 1.49 0.00 -1.46 0.00 0.00 42.92 40.46 1i91 s ASP 34 CO 0.19 -1.12 1.95 0.71 0.52 0.00 0.00 175.17 177.42 1i91 h THR 35 N 5.93 0.49 -0.00 1.71 1.35 -1.95 -2.02 112.91 118.41 1i91 h THR 35 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1i91 h THR 35 Cb 1.08 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1i91 h THR 35 CO 1.06 0.00 -0.17 1.41 -0.25 0.00 0.00 175.52 177.57 1i91 n HIS 36 N -3.95 0.00 0.05 4.73 8.25 -1.26 -3.91 115.22 119.13 1i91 n HIS 36 Ca 0.09 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.58 1i91 n HIS 36 Cb 0.63 -0.17 -0.05 0.00 1.12 0.00 0.00 29.99 31.51 1i91 n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1i91 n THR 37 N -0.88 0.00 -1.88 1.59 -1.04 -0.79 -5.00 114.28 106.28 1i91 n THR 37 Ca 0.13 -0.19 -0.42 0.00 -2.04 0.00 0.00 64.05 61.54 1i91 n THR 37 Cb 0.31 0.45 -0.02 0.00 -1.82 0.00 0.00 70.33 69.25 1i91 n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i91 s ALA 38 N -2.35 3.72 -0.22 2.41 0.00 -1.00 -4.85 121.76 119.47 1i91 s ALA 38 Ca -0.02 1.47 -0.19 0.00 0.00 0.00 0.00 51.96 53.21 1i91 s ALA 38 Cb 0.05 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 1i91 s ALA 38 CO 0.29 -0.87 0.57 0.15 0.00 0.00 0.00 175.76 175.90 1i91 s LYS 39 N -0.23 4.16 0.14 0.00 -0.14 -0.43 -4.78 119.74 118.46 1i91 s LYS 39 Ca 0.63 0.49 -0.31 0.00 -1.36 0.00 0.00 55.97 55.42 1i91 s LYS 39 Cb -0.45 -3.60 -0.08 0.00 -1.68 0.00 0.00 37.83 32.02 1i91 s LYS 39 CO 0.44 -0.26 1.37 -0.47 -0.76 0.00 0.00 175.35 175.67 1i91 s TYR 40 N 1.99 3.25 -0.27 3.18 5.04 -1.26 -0.10 117.35 129.17 1i91 s TYR 40 Ca 0.25 1.02 -0.00 0.00 -2.44 0.00 0.00 57.07 55.90 1i91 s TYR 40 Cb -0.16 -3.66 0.08 0.00 0.35 0.00 0.00 41.96 38.57 1i91 s TYR 40 CO 0.09 -2.26 0.04 0.34 -1.34 0.00 0.00 175.55 172.42 1i91 s ASP 41 N 0.92 3.85 0.00 4.32 -1.08 -0.81 -4.88 116.67 118.99 1i91 s ASP 41 Ca 0.63 -1.41 0.12 0.00 -0.52 0.00 0.00 52.55 51.36 1i91 s ASP 41 Cb -0.37 -0.99 0.53 0.00 -1.46 0.00 0.00 42.92 40.64 1i91 s ASP 41 CO 0.32 -0.34 1.33 -0.81 0.52 0.00 0.00 175.17 176.19 1i91 n PRO 42 N 4.77 0.07 0.00 4.34 -0.04 -1.26 -2.54 135.00 140.34 1i91 n PRO 42 Ca -0.05 0.25 0.12 0.00 -0.04 0.00 0.00 63.50 63.77 1i91 n PRO 42 Cb 0.44 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.62 1i91 n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1i91 n SER 43 N -1.41 0.65 -4.75 3.54 3.41 -1.26 -4.90 113.62 108.91 1i91 n SER 43 Ca 0.04 -0.44 -0.41 0.00 -0.26 0.00 0.00 58.87 57.80 1i91 n SER 43 Cb 0.12 0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 64.36 1i91 n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1i91 s LEU 44 N -2.93 4.44 0.51 1.04 1.43 -1.05 -5.01 118.68 117.11 1i91 s LEU 44 Ca 0.13 2.47 -0.12 0.00 -1.03 0.00 0.00 54.13 55.57 1i91 s LEU 44 Cb 0.18 -3.62 -0.06 0.00 0.03 0.00 0.00 46.19 42.71 1i91 s LEU 44 CO 0.69 -0.46 0.91 -0.54 0.23 0.00 0.00 176.35 177.18 1i91 s LYS 45 N -0.85 3.76 0.47 1.70 3.01 -1.18 -4.98 119.74 121.67 1i91 s LYS 45 Ca 0.52 0.67 -0.22 0.00 -1.01 0.00 0.00 55.97 55.93 1i91 s LYS 45 Cb -0.37 -2.23 -0.07 0.00 -1.01 0.00 0.00 37.83 34.15 1i91 s LYS 45 CO 0.43 -0.27 1.11 -1.25 0.51 0.00 0.00 175.35 175.88 1i91 s PRO 46 N -4.38 3.74 0.48 -1.68 0.04 -1.26 -2.76 135.00 129.19 1i91 s PRO 46 Ca 0.54 1.61 -0.23 0.00 0.04 0.00 0.00 61.00 62.97 1i91 s PRO 46 Cb -0.10 -2.28 -0.07 0.00 0.04 0.00 0.00 34.50 32.09 1i91 s PRO 46 CO 0.39 -0.53 1.24 -0.51 0.04 0.00 0.00 177.00 177.63 1i91 s LEU 47 N -3.22 3.98 -0.27 -3.56 1.43 -1.26 -1.91 118.68 113.87 1i91 s LEU 47 Ca 0.65 2.48 0.01 0.00 -1.03 0.00 0.00 54.13 56.24 1i91 s LEU 47 Cb -0.24 -4.22 0.08 0.00 0.03 0.00 0.00 46.19 41.83 1i91 s LEU 47 CO 0.29 -1.11 0.00 -0.55 0.23 0.00 0.00 176.35 175.21 1i91 s SER 48 N -1.18 4.00 -0.31 2.29 0.15 0.13 -4.85 113.70 113.93 1i91 s SER 48 Ca 0.65 -1.44 -0.06 0.00 0.70 0.00 0.00 55.95 55.81 1i91 s SER 48 Cb -0.33 -1.16 0.03 0.00 -1.71 0.00 0.00 66.02 62.85 1i91 s SER 48 CO 0.40 -0.31 0.08 -0.69 1.20 0.00 0.00 173.24 173.92 1i91 s VAL 49 N 1.38 3.75 -0.79 4.45 1.01 -1.26 -0.79 120.40 128.16 1i91 s VAL 49 Ca 0.01 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 1i91 s VAL 49 Cb -0.18 -3.03 0.20 0.00 0.00 0.00 0.00 36.38 33.36 1i91 s VAL 49 CO -0.11 -0.05 0.66 -0.44 0.00 0.00 0.00 175.10 175.17 1i91 s SER 50 N 1.43 5.91 -0.30 3.32 0.01 -0.70 -4.88 113.70 118.49 1i91 s SER 50 Ca -0.00 -3.17 0.11 0.00 1.31 0.00 0.00 55.95 54.20 1i91 s SER 50 Cb -0.18 -1.96 0.64 0.00 0.21 0.00 0.00 66.02 64.73 1i91 s SER 50 CO 0.02 -0.34 1.66 -1.22 0.41 0.00 0.00 173.24 173.77 1i91 n TYR 51 N 3.13 1.90 1.15 2.43 4.01 -1.26 -1.33 117.16 127.18 1i91 n TYR 51 Ca 0.15 -1.29 0.13 0.00 -0.16 0.00 0.00 57.90 56.73 1i91 n TYR 51 Cb 0.39 -0.59 0.64 0.00 -0.31 0.00 0.00 39.34 39.47 1i91 n TYR 51 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1i91 n ASP 52 N -0.55 0.00 -1.14 7.72 5.75 -1.26 -3.70 116.55 123.37 1i91 n ASP 52 Ca 0.37 0.09 0.04 0.00 -0.01 0.00 0.00 54.79 55.29 1i91 n ASP 52 Cb 1.24 -0.35 0.08 0.00 -1.03 0.00 0.00 41.12 41.05 1i91 n ASP 52 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1i91 n GLN 53 N -1.35 0.49 -2.12 0.11 1.13 -1.20 -5.10 117.38 109.34 1i91 n GLN 53 Ca 0.11 -2.33 -0.41 0.00 -1.94 0.00 0.00 57.00 52.42 1i91 n GLN 53 Cb 0.24 -0.53 -0.03 0.00 0.11 0.00 0.00 30.24 30.03 1i91 n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1i91 s ALA 54 N -1.01 3.58 -0.33 -1.58 0.00 -1.24 -4.59 121.76 116.59 1i91 s ALA 54 Ca 0.33 1.21 0.01 0.00 0.00 0.00 0.00 51.96 53.51 1i91 s ALA 54 Cb 0.36 -3.52 0.09 0.00 0.00 0.00 0.00 23.12 20.04 1i91 s ALA 54 CO -0.13 -0.63 0.05 0.99 0.00 0.00 0.00 175.76 176.04 1i91 s THR 55 N 0.13 2.64 0.22 0.00 2.01 -1.26 -4.85 115.64 114.53 1i91 s THR 55 Ca 0.58 -1.96 -0.29 0.00 0.31 0.00 0.00 61.69 60.34 1i91 s THR 55 Cb -0.39 -2.75 -0.09 0.00 0.01 0.00 0.00 72.50 69.28 1i91 s THR 55 CO 0.40 -0.42 0.89 -0.94 -0.69 0.00 0.00 174.62 173.86 1i91 s SER 56 N 1.23 7.58 -0.19 3.53 1.04 -1.26 -1.25 113.70 124.37 1i91 s SER 56 Ca 0.03 1.86 -0.12 0.00 0.48 0.00 0.00 55.95 58.20 1i91 s SER 56 Cb -0.20 -2.58 -0.08 0.00 0.10 0.00 0.00 66.02 63.26 1i91 s SER 56 CO -0.05 0.17 -0.29 0.18 0.98 0.00 0.00 173.24 174.23 1i91 n LEU 57 N 1.51 1.65 -3.85 2.42 4.77 0.87 -3.90 117.00 120.46 1i91 n LEU 57 Ca -0.03 0.28 -0.08 0.00 -0.03 0.00 0.00 56.01 56.15 1i91 n LEU 57 Cb 0.47 -0.66 -0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1i91 n LEU 57 CO 0.49 0.18 0.47 0.00 -1.33 0.00 0.00 177.39 177.20 1i91 s ARG 58 N -2.52 1.98 -0.01 3.23 1.70 -1.22 -1.17 118.95 120.93 1i91 s ARG 58 Ca -0.29 -1.24 0.05 0.00 -0.47 0.00 0.00 55.73 53.78 1i91 s ARG 58 Cb 0.09 0.60 -0.01 0.00 -0.57 0.00 0.00 34.95 35.06 1i91 s ARG 58 CO 0.38 -0.91 -0.15 -1.50 -1.08 0.00 0.00 175.30 172.04 1i91 s ILE 59 N -3.18 1.18 -0.01 4.99 2.07 -0.51 -0.70 121.20 125.04 1i91 s ILE 59 Ca 0.14 -0.64 -0.11 0.00 -1.41 0.00 0.00 60.65 58.64 1i91 s ILE 59 Cb -0.05 -0.99 0.01 0.00 0.13 0.00 0.00 42.46 41.57 1i91 s ILE 59 CO 0.10 0.33 0.23 -1.48 -1.91 0.00 0.00 174.94 172.21 1i91 s LEU 60 N -0.33 1.19 -0.27 8.50 2.34 -0.72 -1.06 118.68 128.33 1i91 s LEU 60 Ca 0.05 -0.05 -0.12 0.00 0.06 0.00 0.00 54.13 54.08 1i91 s LEU 60 Cb -0.06 0.98 -0.05 0.00 -0.56 0.00 0.00 46.19 46.50 1i91 s LEU 60 CO -0.00 -0.41 0.22 0.21 -1.06 0.00 0.00 176.35 175.31 1i91 s ASN 61 N -1.34 6.09 -0.04 1.48 3.84 -0.51 -1.41 114.94 123.04 1i91 s ASN 61 Ca -0.14 0.07 0.15 0.00 0.21 0.00 0.00 52.86 53.15 1i91 s ASN 61 Cb -0.06 -2.13 0.45 0.00 -0.55 0.00 0.00 41.25 38.96 1i91 s ASN 61 CO 0.03 -0.05 1.38 -0.46 -2.79 0.00 0.00 177.10 175.21 1i91 n ASN 62 N 4.94 3.50 0.00 -4.21 0.23 -0.98 -0.85 115.26 117.89 1i91 n ASN 62 Ca -0.13 -2.22 0.00 0.00 -0.53 0.00 0.00 54.58 51.70 1i91 n ASN 62 Cb 0.52 -0.37 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 1i91 n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1i91 n GLY 63 N 0.63 1.52 0.00 4.83 0.00 -1.26 -4.75 105.19 106.16 1i91 n GLY 63 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1i91 n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1i91 n HIS 64 N -2.00 0.00 -3.94 1.61 8.25 -1.26 -4.78 115.22 113.10 1i91 n HIS 64 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 1i91 n HIS 64 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 1i91 n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i91 n ALA 65 N -2.00 -2.38 -2.60 -1.41 0.00 -1.26 -4.87 120.51 105.99 1i91 n ALA 65 Ca 0.00 -0.55 -0.32 0.00 0.00 0.00 0.00 53.44 52.57 1i91 n ALA 65 Cb 0.48 0.12 -0.10 0.00 0.00 0.00 0.00 19.45 19.94 1i91 n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1i91 s PHE 66 N -2.45 2.89 -0.02 0.00 -0.71 -1.26 -2.33 117.98 114.11 1i91 s PHE 66 Ca 0.20 -0.03 0.05 0.00 -1.04 0.00 0.00 56.93 56.10 1i91 s PHE 66 Cb -0.01 -1.61 -0.01 0.00 -1.21 0.00 0.00 43.02 40.18 1i91 s PHE 66 CO -0.00 0.37 -0.16 -0.80 -1.34 0.00 0.00 175.22 173.29 1i91 s ASN 67 N -1.40 1.89 -0.25 1.98 -0.87 -0.50 -4.21 114.94 111.58 1i91 s ASN 67 Ca 0.17 -0.29 -0.08 0.00 -1.57 0.00 0.00 52.86 51.09 1i91 s ASN 67 Cb -0.11 -0.27 -0.03 0.00 -0.02 0.00 0.00 41.25 40.81 1i91 s ASN 67 CO 0.07 0.18 0.09 -0.69 -2.57 0.00 0.00 177.10 174.18 1i91 s VAL 68 N -0.28 4.48 0.03 1.60 1.01 -1.01 -1.76 120.40 124.46 1i91 s VAL 68 Ca 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 1i91 s VAL 68 Cb -0.07 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1i91 s VAL 68 CO -0.00 0.33 0.16 -1.61 0.00 0.00 0.00 175.10 173.98 1i91 s GLU 69 N 1.57 3.30 0.26 2.72 2.02 0.12 -2.63 118.70 126.07 1i91 s GLU 69 Ca 0.06 -0.44 0.11 0.00 0.02 0.00 0.00 54.97 54.73 1i91 s GLU 69 Cb -0.15 -2.99 -0.05 0.00 0.10 0.00 0.00 34.13 31.04 1i91 s GLU 69 CO 0.05 0.63 -0.19 -0.06 0.02 0.00 0.00 175.26 175.71 1i91 s PHE 70 N -1.37 2.17 -0.55 1.61 0.40 -0.58 -0.09 117.98 119.57 1i91 s PHE 70 Ca 0.29 -0.38 -0.27 0.00 -0.60 0.00 0.00 56.93 55.97 1i91 s PHE 70 Cb -0.13 -0.96 0.03 0.00 0.51 0.00 0.00 43.02 42.48 1i91 s PHE 70 CO 0.21 0.63 1.10 0.34 0.70 0.00 0.00 175.22 178.20 1i91 s ASP 71 N -3.40 6.45 -0.36 1.36 2.15 -0.38 -4.86 116.67 117.63 1i91 s ASP 71 Ca 0.28 0.05 0.07 0.00 0.43 0.00 0.00 52.55 53.37 1i91 s ASP 71 Cb -0.04 -2.51 0.57 0.00 -0.30 0.00 0.00 42.92 40.63 1i91 s ASP 71 CO 0.13 -1.35 1.64 -0.90 -0.17 0.00 0.00 175.17 174.53 1i91 n ASP 72 N 8.00 2.99 0.26 -0.34 5.75 -1.26 -4.59 116.55 127.35 1i91 n ASP 72 Ca 0.07 -3.73 0.13 0.00 -0.01 0.00 0.00 54.79 51.25 1i91 n ASP 72 Cb 0.49 -0.72 0.67 0.00 -1.03 0.00 0.00 41.12 40.53 1i91 n ASP 72 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1i91 h SER 73 N 1.01 0.00 -5.25 -1.12 4.64 -1.96 -3.45 113.55 107.43 1i91 h SER 73 Ca 0.39 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.63 1i91 h SER 73 Cb 2.12 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 64.11 1i91 h SER 73 CO 0.68 0.13 -0.18 0.00 -0.87 0.00 0.00 176.83 176.59 1i91 s GLN 74 N -3.95 1.42 -0.43 4.77 -2.07 -1.26 -5.08 119.66 113.06 1i91 s GLN 74 Ca -0.01 -1.22 -0.05 0.00 -1.82 0.00 0.00 55.36 52.26 1i91 s GLN 74 Cb 0.12 0.44 -0.04 0.00 -1.09 0.00 0.00 33.01 32.43 1i91 s GLN 74 CO 0.58 -0.57 1.55 -0.25 -1.32 0.00 0.00 175.29 175.28 1i91 n ASP 75 N -0.33 2.30 0.12 12.60 8.00 -1.26 -4.52 116.55 133.46 1i91 n ASP 75 Ca -0.03 -2.19 -0.24 0.00 0.71 0.00 0.00 54.79 53.04 1i91 n ASP 75 Cb 0.62 -0.79 -0.16 0.00 -0.02 0.00 0.00 41.12 40.78 1i91 n ASP 75 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1i91 h LYS 76 N 7.34 0.49 -3.86 -1.24 1.57 -1.87 -3.44 116.57 115.56 1i91 h LYS 76 Ca 0.24 -0.83 -0.49 0.00 -1.87 0.00 0.00 60.65 57.70 1i91 h LYS 76 Cb 0.13 0.31 -0.38 0.00 0.08 0.00 0.00 32.23 32.36 1i91 h LYS 76 CO 1.28 1.40 -0.78 0.00 -0.57 0.00 0.00 179.45 180.78 1i91 s ALA 77 N -2.59 1.01 0.24 3.86 0.00 -1.26 -3.27 121.76 119.75 1i91 s ALA 77 Ca -0.12 -0.43 0.04 0.00 0.00 0.00 0.00 51.96 51.45 1i91 s ALA 77 Cb 0.05 -0.92 -0.05 0.00 0.00 0.00 0.00 23.12 22.19 1i91 s ALA 77 CO 0.91 -0.63 -0.01 0.14 0.00 0.00 0.00 175.76 176.17 1i91 s VAL 78 N 1.84 1.12 -0.07 0.00 -7.23 -0.44 -1.99 120.40 113.63 1i91 s VAL 78 Ca 0.03 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.16 1i91 s VAL 78 Cb -0.14 -2.36 0.02 0.00 0.56 0.00 0.00 36.38 34.46 1i91 s VAL 78 CO -0.07 -0.32 -0.07 -0.22 -0.31 0.00 0.00 175.10 174.12 1i91 s LEU 79 N -3.33 1.27 0.25 1.32 2.96 -0.50 -1.72 118.68 118.93 1i91 s LEU 79 Ca 0.29 -0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 53.98 1i91 s LEU 79 Cb 0.05 -0.65 -0.03 0.00 0.50 0.00 0.00 46.19 46.07 1i91 s LEU 79 CO 0.09 -0.07 0.24 -0.54 -1.32 0.00 0.00 176.35 174.75 1i91 s LYS 80 N 1.20 1.43 2.44 1.98 1.02 0.03 -2.49 119.74 125.35 1i91 s LYS 80 Ca -0.06 -1.68 0.00 0.00 0.02 0.00 0.00 55.97 54.25 1i91 s LYS 80 Cb -0.14 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.49 1i91 s LYS 80 CO -0.02 -0.51 0.00 0.41 -0.92 0.00 0.00 175.35 174.31 1i91 n GLY 81 N -0.39 -0.99 7.00 -3.33 0.00 -1.26 0.18 105.19 106.40 1i91 n GLY 81 Ca 0.03 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1i91 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i91 n GLY 82 N 0.00 3.28 0.86 -0.02 0.00 -0.80 -1.61 105.19 106.89 1i91 n GLY 82 Ca 0.00 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 45.95 1i91 n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1i91 n PRO 83 N 14.00 2.08 -2.99 1.61 -0.04 -1.26 -3.10 135.00 145.30 1i91 n PRO 83 Ca 0.00 -1.67 -0.25 0.00 -0.04 0.00 0.00 63.50 61.54 1i91 n PRO 83 Cb 0.00 -1.37 -0.00 0.00 -0.04 0.00 0.00 33.50 32.09 1i91 n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1i91 s LEU 84 N -1.04 3.75 -0.20 1.53 1.43 -0.63 -5.10 118.68 118.43 1i91 s LEU 84 Ca 0.32 0.58 0.00 0.00 -1.03 0.00 0.00 54.13 54.00 1i91 s LEU 84 Cb 0.17 -3.48 0.05 0.00 0.03 0.00 0.00 46.19 42.96 1i91 s LEU 84 CO 0.22 -0.53 -0.06 -0.62 0.23 0.00 0.00 176.35 175.58 1i91 s ASP 85 N -4.12 3.34 0.00 2.29 -1.08 -1.26 -4.59 116.67 111.25 1i91 s ASP 85 Ca 0.45 -0.91 0.00 0.00 -0.52 0.00 0.00 52.55 51.57 1i91 s ASP 85 Cb -0.10 -1.08 0.00 0.00 -1.46 0.00 0.00 42.92 40.28 1i91 s ASP 85 CO 0.40 -0.20 0.00 0.61 0.52 0.00 0.00 175.17 176.50 1i91 n GLY 86 N 4.76 -0.18 3.81 2.66 0.00 -1.26 -4.97 105.19 110.02 1i91 n GLY 86 Ca -0.13 -1.84 -0.38 0.00 0.00 0.00 0.00 46.02 43.67 1i91 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i91 s THR 87 N -1.42 5.11 -0.06 2.61 2.01 -1.26 -4.75 115.64 117.88 1i91 s THR 87 Ca 0.00 0.78 0.06 0.00 0.31 0.00 0.00 61.69 62.84 1i91 s THR 87 Cb 0.00 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 1i91 s THR 87 CO 0.00 0.53 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.92 1i91 s TYR 88 N -0.71 2.48 -0.15 4.92 1.51 -1.04 -0.93 117.35 123.43 1i91 s TYR 88 Ca 0.23 -0.62 -0.08 0.00 -1.01 0.00 0.00 57.07 55.58 1i91 s TYR 88 Cb -0.16 -1.61 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 1i91 s TYR 88 CO 0.11 -0.15 0.13 1.03 -1.11 0.00 0.00 175.55 175.56 1i91 s ARG 89 N -0.24 3.76 0.03 -0.62 0.52 0.29 -1.41 118.95 121.28 1i91 s ARG 89 Ca -0.01 -0.19 -0.30 0.00 -0.52 0.00 0.00 55.73 54.70 1i91 s ARG 89 Cb -0.13 -3.27 -0.06 0.00 0.52 0.00 0.00 34.95 32.01 1i91 s ARG 89 CO 0.03 0.55 1.40 -1.17 0.02 0.00 0.00 175.30 176.14 1i91 s LEU 90 N -0.37 4.33 -0.06 2.53 2.96 -0.84 -0.86 118.68 126.37 1i91 s LEU 90 Ca 0.11 2.18 0.02 0.00 -0.22 0.00 0.00 54.13 56.22 1i91 s LEU 90 Cb -0.12 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 1i91 s LEU 90 CO 0.01 -0.70 -0.03 0.00 -1.32 0.00 0.00 176.35 174.31 1i91 n ILE 91 N 4.48 0.35 -3.55 6.68 3.06 -0.13 -4.58 119.36 125.67 1i91 n ILE 91 Ca 0.13 -0.17 -0.06 0.00 -2.50 0.00 0.00 62.75 60.15 1i91 n ILE 91 Cb 0.43 -0.78 -0.02 0.00 0.54 0.00 0.00 39.64 39.81 1i91 n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1i91 s GLN 92 N -2.12 0.60 0.07 9.51 1.03 -1.22 -1.52 119.66 126.00 1i91 s GLN 92 Ca -0.06 -0.23 0.03 0.00 0.04 0.00 0.00 55.36 55.14 1i91 s GLN 92 Cb 0.02 0.27 -0.03 0.00 0.03 0.00 0.00 33.01 33.30 1i91 s GLN 92 CO 0.17 -0.26 -0.09 -0.59 -2.54 0.00 0.00 175.29 171.98 1i91 s PHE 93 N -2.80 0.86 0.30 9.60 -0.12 -1.08 -0.91 117.98 123.83 1i91 s PHE 93 Ca 0.07 -0.62 -0.13 0.00 -0.05 0.00 0.00 56.93 56.21 1i91 s PHE 93 Cb -0.01 -0.50 0.01 0.00 -0.63 0.00 0.00 43.02 41.90 1i91 s PHE 93 CO -0.07 -0.06 0.59 -3.38 -0.05 0.00 0.00 175.22 172.25 1i91 s HIS 94 N -2.07 0.36 0.24 3.49 -3.43 -0.77 -2.40 115.29 110.71 1i91 s HIS 94 Ca -0.01 -0.78 0.06 0.00 -0.80 0.00 0.00 55.06 53.53 1i91 s HIS 94 Cb -0.05 0.37 -0.05 0.00 -1.43 0.00 0.00 32.58 31.41 1i91 s HIS 94 CO -0.01 -1.20 -0.08 -0.06 -2.00 0.00 0.00 174.74 171.40 1i91 s PHE 95 N -3.42 1.78 -0.03 0.38 0.40 -1.26 -1.11 117.98 114.72 1i91 s PHE 95 Ca 0.21 -0.69 0.03 0.00 -0.60 0.00 0.00 56.93 55.88 1i91 s PHE 95 Cb -0.03 -0.95 -0.00 0.00 0.51 0.00 0.00 43.02 42.55 1i91 s PHE 95 CO 0.12 0.25 -0.13 -1.01 0.70 0.00 0.00 175.22 175.15 1i91 s HIS 96 N -3.07 1.32 0.24 0.36 3.76 -0.70 -4.76 115.29 112.43 1i91 s HIS 96 Ca 0.26 -0.35 -0.11 0.00 -0.15 0.00 0.00 55.06 54.71 1i91 s HIS 96 Cb 0.02 -0.91 -0.01 0.00 1.11 0.00 0.00 32.58 32.80 1i91 s HIS 96 CO 0.09 -0.13 0.43 1.67 -0.85 0.00 0.00 174.74 175.95 1i91 s TRP 97 N 0.11 0.49 0.51 1.40 -2.14 -1.23 -0.89 118.94 117.19 1i91 s TRP 97 Ca -0.03 -0.83 0.05 0.00 2.66 0.00 0.00 56.10 57.95 1i91 s TRP 97 Cb -0.10 0.08 0.01 0.00 -3.10 0.00 0.00 33.47 30.36 1i91 s TRP 97 CO 0.01 -0.95 0.25 0.20 -2.66 0.00 0.00 176.95 173.80 1i91 s GLY 98 N -3.04 2.54 0.07 3.67 0.00 -1.20 -1.06 107.32 108.29 1i91 s GLY 98 Ca 0.25 -1.21 0.26 0.00 0.00 0.00 0.00 44.72 44.02 1i91 s GLY 98 CO 0.10 -2.00 1.56 -1.14 0.00 0.00 0.00 173.10 171.62 1i91 n SER 99 N -1.52 0.49 -4.07 1.64 3.41 -1.26 -4.43 113.62 107.88 1i91 n SER 99 Ca -0.06 0.16 -0.09 0.00 -0.26 0.00 0.00 58.87 58.62 1i91 n SER 99 Cb 0.65 -0.11 -0.11 0.00 -0.26 0.00 0.00 64.21 64.38 1i91 n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1i91 s LEU 100 N -3.60 2.39 0.60 1.04 1.43 -1.26 -5.07 118.68 114.21 1i91 s LEU 100 Ca 0.10 -0.79 0.36 0.00 -1.03 0.00 0.00 54.13 52.78 1i91 s LEU 100 Cb 0.16 0.05 1.93 0.00 0.03 0.00 0.00 46.19 48.36 1i91 s LEU 100 CO 0.65 -0.42 2.22 0.44 0.23 0.00 0.00 176.35 179.47 1i91 h ASP 101 N 3.75 0.00 -0.37 2.29 3.45 -1.92 -3.05 116.42 120.56 1i91 h ASP 101 Ca -0.34 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.06 1i91 h ASP 101 Cb 1.17 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.91 1i91 h ASP 101 CO 0.55 0.03 0.08 0.61 -1.57 0.00 0.00 179.24 178.93 1i91 n GLY 102 N -0.85 2.56 3.48 2.75 0.00 -1.26 -3.33 105.19 108.53 1i91 n GLY 102 Ca -0.02 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 1i91 n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1i91 s GLN 103 N -1.97 1.05 0.00 1.61 -2.07 -1.15 -4.74 119.66 112.39 1i91 s GLN 103 Ca 0.31 -0.24 0.00 0.00 -1.82 0.00 0.00 55.36 53.61 1i91 s GLN 103 Cb 0.24 0.48 0.00 0.00 -1.09 0.00 0.00 33.01 32.65 1i91 s GLN 103 CO 0.08 -0.43 0.00 0.41 -1.32 0.00 0.00 175.29 174.04 1i91 n GLY 104 N -0.01 2.95 3.76 2.60 0.00 -0.97 -3.38 105.19 110.14 1i91 n GLY 104 Ca -0.14 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 1i91 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i91 s SER 105 N 0.00 4.64 -0.22 1.61 1.04 -0.81 -3.50 113.70 116.46 1i91 s SER 105 Ca 0.00 1.90 -0.17 0.00 0.48 0.00 0.00 55.95 58.16 1i91 s SER 105 Cb 0.00 -2.53 -0.14 0.00 0.10 0.00 0.00 66.02 63.45 1i91 s SER 105 CO 0.00 -1.94 -0.08 -0.62 0.98 0.00 0.00 173.24 171.58 1i91 n GLU 106 N -3.17 0.56 -2.76 4.02 1.02 -1.26 -4.82 120.64 114.24 1i91 n GLU 106 Ca 0.10 0.43 -0.34 0.00 -0.02 0.00 0.00 57.16 57.33 1i91 n GLU 106 Cb 0.53 -1.63 -0.06 0.00 -0.02 0.00 0.00 31.44 30.26 1i91 n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1i91 s HIS 107 N -2.44 3.33 0.14 -0.32 3.76 -1.26 -4.46 115.29 114.03 1i91 s HIS 107 Ca -0.31 1.64 0.09 0.00 -0.15 0.00 0.00 55.06 56.33 1i91 s HIS 107 Cb 0.08 -2.91 -0.04 0.00 1.11 0.00 0.00 32.58 30.82 1i91 s HIS 107 CO 0.50 -0.19 -0.20 0.95 -0.85 0.00 0.00 174.74 174.95 1i91 s THR 108 N -2.02 1.84 -0.27 1.30 -4.23 -1.19 -4.73 115.64 106.35 1i91 s THR 108 Ca 0.60 -1.78 -0.01 0.00 -1.18 0.00 0.00 61.69 59.33 1i91 s THR 108 Cb -0.13 -1.77 0.04 0.00 1.34 0.00 0.00 72.50 71.99 1i91 s THR 108 CO 0.17 -0.19 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.32 1i91 s VAL 109 N -1.64 2.74 -1.45 2.29 1.01 -0.84 -0.61 120.40 121.90 1i91 s VAL 109 Ca 0.13 -1.31 -0.10 0.00 0.00 0.00 0.00 61.98 60.70 1i91 s VAL 109 Cb -0.08 -2.51 0.04 0.00 0.00 0.00 0.00 36.38 33.83 1i91 s VAL 109 CO 0.06 0.03 0.98 0.47 0.00 0.00 0.00 175.10 176.64 1i91 n ASP 110 N 4.60 -5.73 0.00 3.32 8.00 0.46 -0.98 116.55 126.22 1i91 n ASP 110 Ca -0.15 -0.55 0.00 0.00 0.71 0.00 0.00 54.79 54.80 1i91 n ASP 110 Cb 0.44 -4.55 0.00 0.00 -0.02 0.00 0.00 41.12 36.99 1i91 n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1i91 n LYS 111 N -4.65 -0.09 -2.76 -1.24 4.76 -1.26 -5.02 118.16 107.89 1i91 n LYS 111 Ca -0.00 0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 55.04 1i91 n LYS 111 Cb 0.56 -2.99 -0.03 0.00 -1.84 0.00 0.00 35.03 30.72 1i91 n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1i91 s LYS 112 N -0.23 4.42 -0.14 1.97 2.20 -0.15 -5.02 119.74 122.79 1i91 s LYS 112 Ca 0.00 1.28 -0.08 0.00 -0.36 0.00 0.00 55.97 56.81 1i91 s LYS 112 Cb 0.00 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 1i91 s LYS 112 CO 0.00 -0.24 0.14 0.15 -0.36 0.00 0.00 175.35 175.04 1i91 s LYS 113 N 1.76 3.62 0.49 4.03 1.02 -1.26 -1.99 119.74 127.42 1i91 s LYS 113 Ca 0.46 -0.14 0.06 0.00 0.02 0.00 0.00 55.97 56.37 1i91 s LYS 113 Cb -0.18 -3.24 0.03 0.00 -0.52 0.00 0.00 37.83 33.91 1i91 s LYS 113 CO 0.19 0.67 0.68 0.71 -0.92 0.00 0.00 175.35 176.67 1i91 s TYR 114 N -0.71 2.62 0.28 3.18 2.02 -1.26 -4.60 117.35 118.88 1i91 s TYR 114 Ca 0.14 -0.30 0.19 0.00 -0.37 0.00 0.00 57.07 56.72 1i91 s TYR 114 Cb -0.12 -2.51 0.86 0.00 -0.40 0.00 0.00 41.96 39.79 1i91 s TYR 114 CO 0.03 -0.70 1.83 0.00 -1.57 0.00 0.00 175.55 175.14 1i91 h ALA 115 N 0.36 1.16 -2.59 3.71 0.00 -1.50 -2.05 119.26 118.35 1i91 h ALA 115 Ca -0.39 -0.29 0.14 0.00 0.00 0.00 0.00 54.91 54.36 1i91 h ALA 115 Cb 1.29 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 1i91 h ALA 115 CO 0.47 0.40 0.40 0.00 0.00 0.00 0.00 179.25 180.52 1i91 s ALA 116 N -3.89 -1.48 -0.08 0.00 0.00 -1.19 -3.23 121.76 111.89 1i91 s ALA 116 Ca -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 51.96 51.84 1i91 s ALA 116 Cb 0.12 0.71 0.04 0.00 0.00 0.00 0.00 23.12 24.00 1i91 s ALA 116 CO 0.67 -1.04 0.17 -2.00 0.00 0.00 0.00 175.76 173.56 1i91 s GLU 117 N -3.40 0.10 -0.19 0.00 2.12 -0.07 -1.50 118.70 115.76 1i91 s GLU 117 Ca 0.12 0.45 -0.14 0.00 0.36 0.00 0.00 54.97 55.76 1i91 s GLU 117 Cb -0.03 -0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.13 1i91 s GLU 117 CO 0.04 -0.20 0.32 -1.17 -0.54 0.00 0.00 175.26 173.72 1i91 s LEU 118 N 1.44 4.18 -0.24 2.70 2.96 0.16 -1.72 118.68 128.15 1i91 s LEU 118 Ca -0.07 0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 54.27 1i91 s LEU 118 Cb -0.11 -2.40 0.02 0.00 0.50 0.00 0.00 46.19 44.20 1i91 s LEU 118 CO -0.06 0.01 -0.06 -1.00 -1.32 0.00 0.00 176.35 173.91 1i91 s HIS 119 N 0.97 3.04 -0.47 5.38 3.76 -0.27 -1.03 115.29 126.68 1i91 s HIS 119 Ca 0.16 -1.48 -0.14 0.00 -0.15 0.00 0.00 55.06 53.46 1i91 s HIS 119 Cb -0.14 -2.06 0.08 0.00 1.11 0.00 0.00 32.58 31.57 1i91 s HIS 119 CO 0.06 -0.71 0.37 -0.51 -0.85 0.00 0.00 174.74 173.10 1i91 s LEU 120 N 1.34 5.57 -0.13 0.89 1.43 -0.34 -1.85 118.68 125.58 1i91 s LEU 120 Ca 0.01 -1.44 -0.23 0.00 -1.03 0.00 0.00 54.13 51.45 1i91 s LEU 120 Cb -0.16 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 1i91 s LEU 120 CO -0.05 -0.64 0.69 -0.69 0.23 0.00 0.00 176.35 175.89 1i91 s VAL 121 N 1.57 5.01 0.13 -1.59 1.01 -0.09 -1.20 120.40 125.25 1i91 s VAL 121 Ca 0.04 1.36 0.08 0.00 0.00 0.00 0.00 61.98 63.46 1i91 s VAL 121 Cb -0.25 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1i91 s VAL 121 CO 0.05 0.16 -0.18 -1.00 0.00 0.00 0.00 175.10 174.14 1i91 s HIS 122 N 1.42 1.67 0.06 5.22 3.76 0.02 -0.96 115.29 126.49 1i91 s HIS 122 Ca 0.34 -0.47 0.07 0.00 -0.15 0.00 0.00 55.06 54.85 1i91 s HIS 122 Cb -0.17 -0.87 -0.03 0.00 1.11 0.00 0.00 32.58 32.62 1i91 s HIS 122 CO 0.14 0.23 -0.20 1.67 -0.85 0.00 0.00 174.74 175.73 1i91 s TRP 123 N -1.76 1.77 -0.20 1.40 1.48 -0.04 -1.76 118.94 119.83 1i91 s TRP 123 Ca 0.10 -0.39 -0.29 0.00 -1.06 0.00 0.00 56.10 54.46 1i91 s TRP 123 Cb -0.07 -1.02 -0.04 0.00 -1.16 0.00 0.00 33.47 31.18 1i91 s TRP 123 CO 0.05 0.13 1.80 1.21 -4.06 0.00 0.00 176.95 176.08 1i91 s ASN 124 N -1.43 6.16 0.54 -2.66 3.84 0.27 -0.55 114.94 121.10 1i91 s ASN 124 Ca 0.07 1.78 0.20 0.00 0.21 0.00 0.00 52.86 55.12 1i91 s ASN 124 Cb -0.09 -2.53 1.43 0.00 -0.55 0.00 0.00 41.25 39.51 1i91 s ASN 124 CO 0.03 -1.42 2.17 0.71 -2.79 0.00 0.00 177.10 175.80 1i91 h THR 125 N 6.34 0.85 0.00 -5.21 1.35 -1.39 -1.95 112.91 112.91 1i91 h THR 125 Ca -0.37 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1i91 h THR 125 Cb 1.18 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1i91 h THR 125 CO 0.99 0.01 0.02 2.29 -0.25 0.00 0.00 175.52 178.58 1i91 n LYS 127 N -4.30 0.13 0.00 4.72 2.85 -1.26 -1.44 118.16 118.86 1i91 n LYS 127 Ca -0.03 0.63 0.13 0.00 -1.05 0.00 0.00 58.31 57.98 1i91 n LYS 127 Cb 0.10 -1.95 0.30 0.00 -0.65 0.00 0.00 35.03 32.83 1i91 n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1i91 n TYR 128 N -2.20 0.00 0.00 5.58 4.01 -0.73 -5.01 117.16 118.80 1i91 n TYR 128 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1i91 n TYR 128 Cb 0.05 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 1i91 n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i91 n GLY 129 N 1.36 2.29 3.30 2.72 0.00 -0.52 -4.54 105.19 109.79 1i91 n GLY 129 Ca 0.12 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 1i91 n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1i91 s ASP 130 N 0.00 -0.07 0.20 1.61 1.47 -1.26 -5.06 116.67 113.56 1i91 s ASP 130 Ca 0.00 -0.55 -0.12 0.00 1.18 0.00 0.00 52.55 53.07 1i91 s ASP 130 Cb 0.00 0.43 0.26 0.00 -0.34 0.00 0.00 42.92 43.27 1i91 s ASP 130 CO 0.00 -0.84 1.67 0.15 0.68 0.00 0.00 175.17 176.83 1i91 h PHE 131 N 2.51 -0.02 -0.25 2.11 3.57 -1.94 -1.57 116.94 121.35 1i91 h PHE 131 Ca -0.33 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.29 1i91 h PHE 131 Cb 1.23 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 1i91 h PHE 131 CO 0.38 -0.14 0.19 0.78 -2.23 0.00 0.00 178.31 177.29 1i91 h GLY 132 N 0.13 0.00 0.25 2.40 0.00 -1.97 -1.81 103.07 102.07 1i91 h GLY 132 Ca 0.30 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.60 1i91 h GLY 132 CO -0.48 0.00 -0.14 0.50 0.00 0.00 0.00 176.54 176.42 1i91 h LYS 133 N 0.00 0.07 -1.00 4.80 1.79 -1.58 -3.32 116.57 117.33 1i91 h LYS 133 Ca 0.12 -0.09 0.19 0.00 -2.18 0.00 0.00 60.65 58.69 1i91 h LYS 133 Cb 0.50 0.03 -0.10 0.00 -1.58 0.00 0.00 32.23 31.07 1i91 h LYS 133 CO -0.00 0.93 0.61 0.00 -1.08 0.00 0.00 179.45 179.91 1i91 h ALA 134 N 0.15 1.70 0.00 3.86 0.00 -0.94 0.25 119.26 124.28 1i91 h ALA 134 Ca -0.02 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1i91 h ALA 134 Cb 0.99 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1i91 h ALA 134 CO 0.03 -0.07 0.00 1.33 0.00 0.00 0.00 179.25 180.53 1i91 n VAL 135 N -4.75 0.37 0.21 0.00 0.24 -0.73 -1.72 118.33 111.95 1i91 n VAL 135 Ca 0.23 0.09 0.11 0.00 -2.04 0.00 0.00 64.34 62.74 1i91 n VAL 135 Cb 0.58 -0.96 0.22 0.00 -1.47 0.00 0.00 33.84 32.21 1i91 n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1i91 n GLN 136 N -1.13 2.48 -4.39 7.34 6.02 0.87 -4.90 117.38 123.67 1i91 n GLN 136 Ca 0.05 -2.28 -0.27 0.00 -0.01 0.00 0.00 57.00 54.49 1i91 n GLN 136 Cb 0.05 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 29.69 1i91 n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1i91 s GLN 137 N -1.38 1.59 0.41 -1.09 -1.52 -0.70 -5.04 119.66 111.93 1i91 s GLN 137 Ca 0.38 -1.44 0.12 0.00 -1.95 0.00 0.00 55.36 52.47 1i91 s GLN 137 Cb 0.22 -1.91 0.87 0.00 -0.22 0.00 0.00 33.01 31.96 1i91 s GLN 137 CO 0.30 0.42 1.94 -1.35 -0.25 0.00 0.00 175.29 176.35 1i91 h PRO 138 N 3.30 0.11 -0.63 2.91 0.11 -1.86 -2.31 132.00 133.64 1i91 h PRO 138 Ca -0.47 -0.03 -0.46 0.00 0.11 0.00 0.00 66.00 65.15 1i91 h PRO 138 Cb 1.20 -0.02 -0.36 0.00 0.11 0.00 0.00 31.00 31.94 1i91 h PRO 138 CO 0.47 0.29 -0.74 -0.40 -0.21 0.00 0.00 178.00 177.42 1i91 n ASP 139 N -4.28 4.43 0.01 -2.05 5.75 -1.26 -4.23 116.55 114.93 1i91 n ASP 139 Ca -0.02 -3.78 -0.17 0.00 -0.01 0.00 0.00 54.79 50.82 1i91 n ASP 139 Cb 0.27 -0.38 -0.07 0.00 -1.03 0.00 0.00 41.12 39.91 1i91 n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1i91 h GLY 140 N 1.98 0.77 -3.41 6.12 0.00 -1.09 -3.43 103.07 104.00 1i91 h GLY 140 Ca 0.31 -1.18 -0.64 0.00 0.00 0.00 0.00 47.33 45.82 1i91 h GLY 140 CO 0.65 1.05 -0.77 1.08 0.00 0.00 0.00 176.54 178.55 1i91 s LEU 141 N -8.22 2.75 -0.11 3.11 1.43 0.27 -0.57 118.68 117.35 1i91 s LEU 141 Ca -0.09 -0.68 -0.03 0.00 -1.03 0.00 0.00 54.13 52.30 1i91 s LEU 141 Cb 0.08 -1.47 0.04 0.00 0.03 0.00 0.00 46.19 44.88 1i91 s LEU 141 CO 0.90 0.12 0.06 0.00 0.23 0.00 0.00 176.35 177.65 1i91 s ALA 142 N -1.64 0.48 -0.20 4.21 0.00 -0.72 -1.14 121.76 122.74 1i91 s ALA 142 Ca 0.23 -0.14 -0.03 0.00 0.00 0.00 0.00 51.96 52.02 1i91 s ALA 142 Cb -0.09 -0.85 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 1i91 s ALA 142 CO 0.13 -0.80 -0.07 0.08 0.00 0.00 0.00 175.76 175.10 1i91 s VAL 143 N 2.08 3.16 -0.29 0.00 1.01 -1.08 -0.80 120.40 124.49 1i91 s VAL 143 Ca 0.03 -0.57 -0.18 0.00 0.00 0.00 0.00 61.98 61.26 1i91 s VAL 143 Cb -0.14 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1i91 s VAL 143 CO -0.06 0.45 0.54 -0.22 0.00 0.00 0.00 175.10 175.81 1i91 s LEU 144 N 1.29 4.14 -0.12 3.92 2.96 -0.34 -2.71 118.68 127.82 1i91 s LEU 144 Ca 0.03 0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 54.27 1i91 s LEU 144 Cb -0.14 -2.67 -0.04 0.00 0.50 0.00 0.00 46.19 43.84 1i91 s LEU 144 CO -0.03 -0.37 0.05 -0.83 -1.32 0.00 0.00 176.35 173.84 1i91 s GLY 145 N 1.62 1.94 -0.02 7.98 0.00 -0.66 -1.20 107.32 116.98 1i91 s GLY 145 Ca 0.21 -0.75 0.03 0.00 0.00 0.00 0.00 44.72 44.22 1i91 s GLY 145 CO 0.11 -0.36 -0.12 -0.42 0.00 0.00 0.00 173.10 172.30 1i91 s ILE 146 N -0.60 1.01 0.14 0.90 1.01 -0.20 -1.72 121.20 121.74 1i91 s ILE 146 Ca 0.11 -0.50 -0.16 0.00 0.00 0.00 0.00 60.65 60.09 1i91 s ILE 146 Cb -0.12 -0.87 -0.07 0.00 0.01 0.00 0.00 42.46 41.41 1i91 s ILE 146 CO 0.02 0.30 0.58 -0.36 0.00 0.00 0.00 174.94 175.48 1i91 s PHE 147 N 0.00 3.66 -0.19 3.97 0.08 -1.26 -0.67 117.98 123.58 1i91 s PHE 147 Ca -0.01 1.16 -0.02 0.00 0.12 0.00 0.00 56.93 58.18 1i91 s PHE 147 Cb -0.08 -2.44 -0.01 0.00 -0.57 0.00 0.00 43.02 39.92 1i91 s PHE 147 CO 0.01 0.45 -0.08 -0.51 -0.10 0.00 0.00 175.22 174.99 1i91 s LEU 148 N -1.77 2.82 -0.08 -0.37 1.02 -0.56 -0.41 118.68 119.33 1i91 s LEU 148 Ca 0.37 -0.37 -0.00 0.00 0.02 0.00 0.00 54.13 54.14 1i91 s LEU 148 Cb -0.16 -1.69 -0.03 0.00 0.02 0.00 0.00 46.19 44.33 1i91 s LEU 148 CO 0.19 0.05 -0.06 -0.75 0.02 0.00 0.00 176.35 175.81 1i91 s LYS 149 N 1.05 2.88 -0.09 1.70 2.20 0.33 -2.61 119.74 125.21 1i91 s LYS 149 Ca 0.00 -0.53 -0.30 0.00 -0.36 0.00 0.00 55.97 54.79 1i91 s LYS 149 Cb -0.15 -2.65 -0.02 0.00 -1.51 0.00 0.00 37.83 33.50 1i91 s LYS 149 CO -0.01 0.62 1.12 0.08 -0.36 0.00 0.00 175.35 176.80 1i91 s VAL 150 N -0.69 4.48 0.00 4.02 1.01 -1.26 -1.26 120.40 126.70 1i91 s VAL 150 Ca 0.11 1.78 0.00 0.00 0.00 0.00 0.00 61.98 63.86 1i91 s VAL 150 Cb -0.11 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1i91 s VAL 150 CO 0.02 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1i91 n GLY 151 N 3.27 1.13 3.93 4.51 0.00 -0.27 -4.86 105.19 112.91 1i91 n GLY 151 Ca 0.10 0.38 -0.25 0.00 0.00 0.00 0.00 46.02 46.25 1i91 n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i91 s SER 152 N 2.00 5.58 0.47 1.61 0.01 -1.26 -4.00 113.70 118.10 1i91 s SER 152 Ca 0.00 0.53 -0.21 0.00 1.31 0.00 0.00 55.95 57.59 1i91 s SER 152 Cb 0.00 -1.56 -0.09 0.00 0.21 0.00 0.00 66.02 64.58 1i91 s SER 152 CO 0.00 -1.01 1.02 0.00 0.41 0.00 0.00 173.24 173.66 1i91 s ALA 153 N -2.88 2.92 -0.35 1.44 0.00 -1.26 -1.86 121.76 119.77 1i91 s ALA 153 Ca 0.53 0.58 -0.07 0.00 0.00 0.00 0.00 51.96 53.00 1i91 s ALA 153 Cb -0.10 -3.23 0.04 0.00 0.00 0.00 0.00 23.12 19.82 1i91 s ALA 153 CO 0.43 -0.22 0.13 0.21 0.00 0.00 0.00 175.76 176.31 1i91 s LYS 154 N -3.16 2.62 0.24 0.00 2.47 -1.25 -4.81 119.74 115.86 1i91 s LYS 154 Ca 0.65 -1.20 -0.06 0.00 -1.56 0.00 0.00 55.97 53.80 1i91 s LYS 154 Cb -0.15 -3.51 0.43 0.00 -1.46 0.00 0.00 37.83 33.14 1i91 s LYS 154 CO 0.19 -0.69 1.70 -1.35 0.16 0.00 0.00 175.35 175.35 1i91 h PRO 155 N 8.25 0.29 -0.01 4.03 0.11 -1.93 -1.37 132.00 141.37 1i91 h PRO 155 Ca -0.23 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1i91 h PRO 155 Cb 1.08 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1i91 h PRO 155 CO 0.62 0.19 0.11 0.78 -0.21 0.00 0.00 178.00 179.49 1i91 h GLY 156 N 0.30 0.00 0.80 -0.55 0.00 -1.95 -1.66 103.07 100.02 1i91 h GLY 156 Ca 0.39 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.64 1i91 h GLY 156 CO -0.47 0.00 -1.37 -0.10 0.00 0.00 0.00 176.54 174.60 1i91 n LEU 157 N -3.09 0.69 -0.29 3.11 7.94 -0.52 -4.40 117.00 120.45 1i91 n LEU 157 Ca -0.02 0.29 0.07 0.00 -1.11 0.00 0.00 56.01 55.23 1i91 n LEU 157 Cb 0.18 0.03 0.22 0.00 0.53 0.00 0.00 43.42 44.37 1i91 n LEU 157 CO 0.19 -0.00 1.07 -0.61 -1.11 0.00 0.00 177.39 176.93 1i91 h GLN 158 N 0.00 0.55 -0.66 1.96 5.75 -1.23 -1.46 115.11 120.02 1i91 h GLN 158 Ca -0.09 -0.03 0.11 0.00 -0.15 0.00 0.00 58.65 58.49 1i91 h GLN 158 Cb 1.28 -0.12 -0.08 0.00 1.07 0.00 0.00 27.48 29.63 1i91 h GLN 158 CO 0.02 0.36 0.23 0.87 -2.65 0.00 0.00 178.83 177.66 1i91 h LYS 159 N 0.56 0.39 -0.02 1.69 1.79 -1.77 -0.30 116.57 118.91 1i91 h LYS 159 Ca 0.46 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.90 1i91 h LYS 159 Cb 0.67 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1i91 h LYS 159 CO -0.38 0.26 0.01 0.28 -1.08 0.00 0.00 179.45 178.53 1i91 h VAL 160 N 0.40 1.13 -0.64 0.50 2.07 -1.56 -3.12 116.25 115.03 1i91 h VAL 160 Ca 0.34 -0.38 0.10 0.00 0.82 0.00 0.00 66.70 67.59 1i91 h VAL 160 Cb 0.47 1.36 -0.08 0.00 -1.52 0.00 0.00 31.29 31.52 1i91 h VAL 160 CO -0.35 0.10 0.23 0.58 0.02 0.00 0.00 177.57 178.15 1i91 h VAL 161 N -0.13 0.74 -0.04 2.57 2.07 -0.65 -2.62 116.25 118.19 1i91 h VAL 161 Ca 0.01 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1i91 h VAL 161 Cb 0.16 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1i91 h VAL 161 CO -0.00 0.07 0.03 0.44 0.02 0.00 0.00 177.57 178.13 1i91 h ASP 162 N 0.41 0.00 0.42 0.57 3.32 -1.03 -2.87 116.42 117.24 1i91 h ASP 162 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1i91 h ASP 162 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1i91 h ASP 162 CO -0.33 0.00 -0.56 0.55 -1.72 0.00 0.00 179.24 177.17 1i91 n VAL 163 N -4.52 0.00 -0.10 -1.35 3.14 -0.99 -4.46 118.33 110.06 1i91 n VAL 163 Ca -0.02 -0.00 0.16 0.00 -2.96 0.00 0.00 64.34 61.51 1i91 n VAL 163 Cb 0.13 0.36 0.55 0.00 -1.06 0.00 0.00 33.84 33.82 1i91 n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1i91 h LEU 164 N 0.03 0.28 -1.91 6.55 3.38 -1.50 -2.00 115.31 120.13 1i91 h LEU 164 Ca 0.00 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1i91 h LEU 164 Cb 0.50 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1i91 h LEU 164 CO 0.00 0.16 0.04 0.44 0.09 0.00 0.00 178.44 179.17 1i91 h ASP 165 N 0.31 0.09 0.29 -0.43 3.32 -1.81 -1.49 116.42 116.69 1i91 h ASP 165 Ca 0.31 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1i91 h ASP 165 Cb 0.81 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1i91 h ASP 165 CO -0.08 0.07 -0.05 -1.54 -1.72 0.00 0.00 179.24 175.92 1i91 n SER 166 N -4.52 0.37 -2.39 6.45 3.41 -0.75 -3.65 113.62 112.53 1i91 n SER 166 Ca -0.02 -0.67 -0.10 0.00 -0.26 0.00 0.00 58.87 57.82 1i91 n SER 166 Cb 0.09 -0.09 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 1i91 n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1i91 n ILE 167 N -0.93 1.81 -0.16 -1.33 -5.35 -0.58 -4.60 119.36 108.22 1i91 n ILE 167 Ca 0.17 -3.44 -0.04 0.00 -0.27 0.00 0.00 62.75 59.17 1i91 n ILE 167 Cb 0.24 0.19 0.05 0.00 -1.74 0.00 0.00 39.64 38.38 1i91 n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1i91 h LYS 168 N 2.34 0.43 -6.18 6.28 3.64 -1.58 -3.41 116.57 118.08 1i91 h LYS 168 Ca 0.08 -0.03 -0.50 0.00 -1.27 0.00 0.00 60.65 58.94 1i91 h LYS 168 Cb 1.40 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 33.08 1i91 h LYS 168 CO 0.43 0.29 -0.45 0.95 -2.27 0.00 0.00 179.45 178.39 1i91 s THR 169 N -6.13 3.37 0.21 1.00 -4.23 -1.26 -0.69 115.64 107.91 1i91 s THR 169 Ca -0.13 -1.41 -0.32 0.00 -1.18 0.00 0.00 61.69 58.65 1i91 s THR 169 Cb 0.14 -3.14 -0.15 0.00 1.34 0.00 0.00 72.50 70.69 1i91 s THR 169 CO 0.73 -0.16 1.27 1.17 -0.54 0.00 0.00 174.62 177.09 1i91 n LYS 170 N -1.36 1.56 -0.88 3.99 4.81 0.82 -2.51 118.16 124.59 1i91 n LYS 170 Ca -0.01 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 1i91 n LYS 170 Cb 0.60 -2.12 0.00 0.00 0.02 0.00 0.00 35.03 33.53 1i91 n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1i91 n GLY 171 N 2.05 0.92 3.88 3.14 0.00 -0.03 -4.45 105.19 110.69 1i91 n GLY 171 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1i91 n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i91 s LYS 172 N -0.12 3.78 0.09 1.61 1.02 -1.04 -4.91 119.74 120.16 1i91 s LYS 172 Ca 0.00 0.25 -0.03 0.00 0.02 0.00 0.00 55.97 56.21 1i91 s LYS 172 Cb 0.00 -2.65 -0.03 0.00 -0.52 0.00 0.00 37.83 34.63 1i91 s LYS 172 CO 0.00 0.30 0.06 -1.54 -0.92 0.00 0.00 175.35 173.26 1i91 s SER 173 N -2.44 0.34 -0.01 2.83 1.04 -1.26 -1.43 113.70 112.77 1i91 s SER 173 Ca 0.47 -0.97 -0.06 0.00 0.48 0.00 0.00 55.95 55.87 1i91 s SER 173 Cb -0.11 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1i91 s SER 173 CO 0.22 -0.68 0.13 0.00 0.98 0.00 0.00 173.24 173.89 1i91 s ALA 174 N -3.94 -0.32 0.26 5.32 0.00 -0.22 -4.87 121.76 117.99 1i91 s ALA 174 Ca 0.11 -0.00 -0.29 0.00 0.00 0.00 0.00 51.96 51.78 1i91 s ALA 174 Cb 0.07 0.01 -0.09 0.00 0.00 0.00 0.00 23.12 23.11 1i91 s ALA 174 CO -0.07 -0.17 1.24 -0.51 0.00 0.00 0.00 175.76 176.26 1i91 s ASP 175 N -0.99 6.97 -0.42 0.00 1.01 -1.26 -1.43 116.67 120.56 1i91 s ASP 175 Ca -0.11 2.45 0.04 0.00 0.71 0.00 0.00 52.55 55.64 1i91 s ASP 175 Cb -0.06 -2.63 0.17 0.00 1.01 0.00 0.00 42.92 41.41 1i91 s ASP 175 CO 0.01 -0.41 0.38 0.12 0.21 0.00 0.00 175.17 175.48 1i91 s PHE 176 N -0.67 0.81 0.24 4.23 5.36 -0.31 -4.77 117.98 122.87 1i91 s PHE 176 Ca 0.50 -2.15 0.06 0.00 -0.96 0.00 0.00 56.93 54.38 1i91 s PHE 176 Cb -0.36 -0.79 -0.03 0.00 -0.34 0.00 0.00 43.02 41.50 1i91 s PHE 176 CO 0.44 -0.87 0.25 0.95 -1.46 0.00 0.00 175.22 174.53 1i91 s THR 177 N 0.15 4.78 -1.24 0.12 -4.23 -1.25 -3.11 115.64 110.87 1i91 s THR 177 Ca 0.33 -1.20 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 1i91 s THR 177 Cb 0.03 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.30 1i91 s THR 177 CO -0.18 -0.31 0.00 0.59 -0.54 0.00 0.00 174.62 174.17 1i91 n ASN 178 N -1.17 -4.37 -4.74 3.99 4.13 -1.25 -4.97 115.26 106.88 1i91 n ASN 178 Ca -0.08 0.03 -0.39 0.00 1.68 0.00 0.00 54.58 55.82 1i91 n ASN 178 Cb 0.57 -3.49 -0.06 0.00 -1.54 0.00 0.00 39.78 35.27 1i91 n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1i91 s PHE 179 N -2.69 3.60 -0.38 3.10 5.36 -1.26 -5.01 117.98 120.71 1i91 s PHE 179 Ca 0.00 1.07 -0.15 0.00 -0.96 0.00 0.00 56.93 56.90 1i91 s PHE 179 Cb 0.00 -2.60 0.00 0.00 -0.34 0.00 0.00 43.02 40.08 1i91 s PHE 179 CO 0.00 0.25 0.30 0.34 -1.46 0.00 0.00 175.22 174.65 1i91 s ASP 180 N 0.27 6.11 0.43 6.13 -1.08 -1.26 -4.48 116.67 122.79 1i91 s ASP 180 Ca 0.30 -0.60 0.18 0.00 -0.52 0.00 0.00 52.55 51.91 1i91 s ASP 180 Cb -0.17 -2.17 0.99 0.00 -1.46 0.00 0.00 42.92 40.12 1i91 s ASP 180 CO 0.14 -0.37 1.92 1.55 0.52 0.00 0.00 175.17 178.93 1i91 h PRO 181 N 8.57 0.00 0.00 4.34 0.13 -1.95 -3.07 132.00 140.02 1i91 h PRO 181 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1i91 h PRO 181 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1i91 h PRO 181 CO 0.70 0.26 0.09 0.54 -0.23 0.00 0.00 178.00 179.36 1i91 n ARG 182 N -3.91 0.07 0.02 0.86 1.74 -1.26 -0.72 116.66 113.46 1i91 n ARG 182 Ca -0.02 0.54 0.14 0.00 -0.77 0.00 0.00 57.85 57.74 1i91 n ARG 182 Cb 0.34 -1.83 0.57 0.00 -1.02 0.00 0.00 32.46 30.52 1i91 n ARG 182 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i91 n GLY 183 N -1.35 -1.52 1.06 -0.13 0.00 -1.16 -3.47 105.19 98.62 1i91 n GLY 183 Ca -0.01 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.03 1i91 n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i91 n LEU 184 N -1.63 3.23 -4.85 0.99 4.32 0.10 -4.42 117.00 114.75 1i91 n LEU 184 Ca 0.07 -1.24 -0.34 0.00 -0.02 0.00 0.00 56.01 54.48 1i91 n LEU 184 Cb 0.35 -0.12 -0.06 0.00 -1.62 0.00 0.00 43.42 41.98 1i91 n LEU 184 CO 0.28 0.62 0.30 -0.76 -1.22 0.00 0.00 177.39 176.61 1i91 s LEU 185 N -1.75 4.21 0.00 2.23 1.43 -1.23 -4.96 118.68 118.61 1i91 s LEU 185 Ca 0.33 1.12 -0.10 0.00 -1.03 0.00 0.00 54.13 54.46 1i91 s LEU 185 Cb 0.21 -3.65 0.16 0.00 0.03 0.00 0.00 46.19 42.94 1i91 s LEU 185 CO 0.31 -0.04 0.95 -0.81 0.23 0.00 0.00 176.35 176.99 1i91 n PRO 186 N 0.19 -0.74 0.08 1.29 -0.04 -1.26 -5.03 135.00 129.49 1i91 n PRO 186 Ca -0.01 -1.68 -0.12 0.00 -0.04 0.00 0.00 63.50 61.65 1i91 n PRO 186 Cb 0.52 -0.91 -0.08 0.00 -0.04 0.00 0.00 33.50 32.99 1i91 n PRO 186 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1i91 h GLU 187 N 0.00 -0.23 -6.62 0.54 5.08 -1.91 -3.45 114.58 107.98 1i91 h GLU 187 Ca -0.31 0.02 -0.51 0.00 -1.00 0.00 0.00 59.36 57.56 1i91 h GLU 187 Cb 0.91 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 1i91 h GLU 187 CO 0.24 0.17 0.08 0.45 -1.00 0.00 0.00 179.01 178.95 1i91 s SER 188 N -5.38 6.88 -0.18 1.42 0.15 -1.26 -5.01 113.70 110.32 1i91 s SER 188 Ca -0.14 1.30 0.16 0.00 0.70 0.00 0.00 55.95 57.97 1i91 s SER 188 Cb 0.01 -2.38 0.57 0.00 -1.71 0.00 0.00 66.02 62.52 1i91 s SER 188 CO 0.53 -0.08 1.47 0.18 1.20 0.00 0.00 173.24 176.54 1i91 n LEU 189 N 0.16 4.16 -4.76 3.45 4.77 -1.26 -4.72 117.00 118.80 1i91 n LEU 189 Ca 0.00 -2.95 -0.37 0.00 -0.03 0.00 0.00 56.01 52.66 1i91 n LEU 189 Cb 0.52 -0.55 0.02 0.00 -2.33 0.00 0.00 43.42 41.08 1i91 n LEU 189 CO 0.42 0.67 0.89 -1.81 -1.33 0.00 0.00 177.39 176.24 1i91 s ASP 190 N -1.69 5.53 0.29 -1.43 1.01 -1.26 -4.72 116.67 114.39 1i91 s ASP 190 Ca 0.44 2.51 -0.11 0.00 0.71 0.00 0.00 52.55 56.10 1i91 s ASP 190 Cb 0.34 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.66 1i91 s ASP 190 CO 0.11 -1.37 0.51 -0.72 0.21 0.00 0.00 175.17 173.91 1i91 s TYR 191 N -1.46 0.49 0.22 4.23 -0.85 -1.26 -1.10 117.35 117.62 1i91 s TYR 191 Ca 0.71 -0.86 0.11 0.00 -0.52 0.00 0.00 57.07 56.51 1i91 s TYR 191 Cb -0.34 0.20 -0.05 0.00 0.38 0.00 0.00 41.96 42.16 1i91 s TYR 191 CO 0.39 -1.09 -0.20 -1.58 -1.52 0.00 0.00 175.55 171.55 1i91 s TRP 192 N -3.61 2.36 -0.04 -3.49 0.51 -0.54 -1.33 118.94 112.80 1i91 s TRP 192 Ca 0.23 -0.33 -0.10 0.00 -2.12 0.00 0.00 56.10 53.79 1i91 s TRP 192 Cb -0.01 -1.12 0.02 0.00 -0.81 0.00 0.00 33.47 31.54 1i91 s TRP 192 CO 0.12 0.56 0.23 -0.08 -0.51 0.00 0.00 176.95 177.27 1i91 s THR 193 N -1.91 0.04 0.06 2.01 -1.32 -0.28 -1.97 115.64 112.28 1i91 s THR 193 Ca 0.24 -0.33 -0.26 0.00 -1.21 0.00 0.00 61.69 60.12 1i91 s THR 193 Cb -0.07 -0.45 0.08 0.00 -1.51 0.00 0.00 72.50 70.55 1i91 s THR 193 CO 0.12 -0.18 0.71 -0.72 -2.21 0.00 0.00 174.62 172.34 1i91 s TYR 194 N -0.71 -0.50 -0.10 9.09 1.13 -0.96 -1.88 117.35 123.42 1i91 s TYR 194 Ca -0.08 0.46 -0.26 0.00 -1.41 0.00 0.00 57.07 55.78 1i91 s TYR 194 Cb -0.04 0.52 -0.02 0.00 -1.10 0.00 0.00 41.96 41.31 1i91 s TYR 194 CO 0.02 -0.70 0.83 -1.25 -2.51 0.00 0.00 175.55 171.94 1i91 s PRO 195 N -2.98 4.40 0.00 -3.49 0.04 -1.26 -1.24 135.00 130.47 1i91 s PRO 195 Ca -0.00 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.11 1i91 s PRO 195 Cb -0.01 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 31.02 1i91 s PRO 195 CO -0.07 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.24 1i91 n GLY 196 N 3.21 4.84 2.22 0.56 0.00 0.76 -4.83 105.19 111.96 1i91 n GLY 196 Ca 0.03 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 1i91 n GLY 196 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1i91 n SER 197 N 0.00 -0.66 -4.80 1.61 3.41 -1.03 -2.59 113.62 109.56 1i91 n SER 197 Ca 0.00 -2.41 -0.33 0.00 -0.26 0.00 0.00 58.87 55.86 1i91 n SER 197 Cb 0.00 1.37 -0.02 0.00 -0.26 0.00 0.00 64.21 65.30 1i91 n SER 197 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1i91 s LEU 198 N 0.00 3.71 0.00 1.04 1.43 -0.70 -4.54 118.68 119.62 1i91 s LEU 198 Ca 0.24 1.86 0.21 0.00 -1.03 0.00 0.00 54.13 55.42 1i91 s LEU 198 Cb 0.01 -4.55 0.52 0.00 0.03 0.00 0.00 46.19 42.20 1i91 s LEU 198 CO 0.17 -0.90 1.45 0.35 0.23 0.00 0.00 176.35 177.65 1i91 n THR 199 N -1.37 0.54 -4.14 5.49 -2.24 -1.26 -4.55 114.28 106.75 1i91 n THR 199 Ca 0.09 -0.69 -0.10 0.00 -2.27 0.00 0.00 64.05 61.07 1i91 n THR 199 Cb 0.53 0.69 -0.10 0.00 -2.10 0.00 0.00 70.33 69.35 1i91 n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1i91 s THR 200 N -1.46 0.60 0.51 4.28 -4.23 -1.26 -4.70 115.64 109.38 1i91 s THR 200 Ca 0.38 -1.81 -0.21 0.00 -1.18 0.00 0.00 61.69 58.88 1i91 s THR 200 Cb 0.21 -1.52 -0.09 0.00 1.34 0.00 0.00 72.50 72.44 1i91 s THR 200 CO 0.29 -0.83 0.78 -2.65 -0.54 0.00 0.00 174.62 171.67 1i91 n PRO 201 N 0.17 0.86 0.00 3.99 -0.02 -1.26 -0.53 135.00 138.21 1i91 n PRO 201 Ca -0.14 0.32 0.09 0.00 -2.02 0.00 0.00 63.50 61.75 1i91 n PRO 201 Cb 0.60 -1.88 0.52 0.00 -0.02 0.00 0.00 33.50 32.72 1i91 n PRO 201 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1i91 n PRO 202 N -0.10 0.54 -2.96 0.52 -0.02 -1.26 -4.98 135.00 126.73 1i91 n PRO 202 Ca 0.11 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.38 1i91 n PRO 202 Cb 0.44 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.44 1i91 n PRO 202 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1i91 n LEU 203 N -1.01 -2.47 -4.74 2.45 4.77 0.31 -4.88 117.00 111.43 1i91 n LEU 203 Ca 0.13 -0.25 -0.42 0.00 -0.03 0.00 0.00 56.01 55.44 1i91 n LEU 203 Cb 0.06 -2.89 -0.02 0.00 -2.33 0.00 0.00 43.42 38.24 1i91 n LEU 203 CO 0.10 0.16 1.22 -0.76 -1.33 0.00 0.00 177.39 176.78 1i91 s LEU 204 N -6.58 4.36 -1.23 2.23 1.43 -1.26 -4.49 118.68 113.14 1i91 s LEU 204 Ca 0.27 2.81 -0.12 0.00 -1.03 0.00 0.00 54.13 56.06 1i91 s LEU 204 Cb -0.12 -3.62 0.18 0.00 0.03 0.00 0.00 46.19 42.65 1i91 s LEU 204 CO 0.33 -0.85 1.60 -0.62 0.23 0.00 0.00 176.35 177.04 1i91 n GLU 205 N 2.67 3.49 0.00 1.70 1.02 -1.26 -1.72 120.64 126.55 1i91 n GLU 205 Ca 0.09 -3.76 0.00 0.00 -0.02 0.00 0.00 57.16 53.47 1i91 n GLU 205 Cb 0.38 -2.97 0.00 0.00 -0.02 0.00 0.00 31.44 28.83 1i91 n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i91 s VAL 207 N -0.35 4.90 -0.34 0.00 1.01 -1.07 -0.56 120.40 123.99 1i91 s VAL 207 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.87 1i91 s VAL 207 Cb 0.00 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.24 1i91 s VAL 207 CO 0.00 0.55 0.18 -0.89 0.00 0.00 0.00 175.10 174.94 1i91 s THR 208 N -0.43 4.64 -0.08 3.92 2.01 -0.29 -0.17 115.64 125.24 1i91 s THR 208 Ca 0.10 -0.59 -0.19 0.00 0.31 0.00 0.00 61.69 61.32 1i91 s THR 208 Cb -0.12 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 1i91 s THR 208 CO 0.02 -0.06 0.53 0.26 -0.69 0.00 0.00 174.62 174.68 1i91 s TRP 209 N 1.60 3.57 -0.35 4.92 0.52 -0.37 -2.62 118.94 126.21 1i91 s TRP 209 Ca 0.04 1.01 0.02 0.00 0.02 0.00 0.00 56.10 57.19 1i91 s TRP 209 Cb -0.18 -2.59 0.10 0.00 -1.15 0.00 0.00 33.47 29.65 1i91 s TRP 209 CO 0.07 0.22 0.09 0.42 0.02 0.00 0.00 176.95 177.76 1i91 s ILE 210 N 0.41 1.84 -0.19 2.03 1.01 -1.10 -2.27 121.20 122.92 1i91 s ILE 210 Ca 0.29 -2.15 -0.15 0.00 0.00 0.00 0.00 60.65 58.64 1i91 s ILE 210 Cb -0.16 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 1i91 s ILE 210 CO 0.13 -0.65 0.37 -0.69 0.00 0.00 0.00 174.94 174.10 1i91 s VAL 211 N 1.00 5.23 0.25 2.92 1.01 -0.83 -1.65 120.40 128.34 1i91 s VAL 211 Ca 0.11 0.67 -0.30 0.00 0.00 0.00 0.00 61.98 62.46 1i91 s VAL 211 Cb -0.19 -3.70 -0.09 0.00 0.00 0.00 0.00 36.38 32.39 1i91 s VAL 211 CO -0.12 0.29 1.01 -0.76 0.00 0.00 0.00 175.10 175.52 1i91 s LEU 212 N 1.04 4.61 0.11 3.92 1.43 -0.70 -1.47 118.68 127.62 1i91 s LEU 212 Ca 0.18 2.08 -0.14 0.00 -1.03 0.00 0.00 54.13 55.23 1i91 s LEU 212 Cb -0.14 -3.62 -0.07 0.00 0.03 0.00 0.00 46.19 42.39 1i91 s LEU 212 CO 0.07 0.03 1.44 0.50 0.23 0.00 0.00 176.35 178.62 1i91 h LYS 213 N 4.05 0.78 -5.49 1.70 3.64 -1.45 -3.44 116.57 116.36 1i91 h LYS 213 Ca -0.46 -0.41 -0.61 0.00 -1.27 0.00 0.00 60.65 57.91 1i91 h LYS 213 Cb 1.20 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.92 1i91 h LYS 213 CO 0.68 1.04 0.12 -2.00 -2.27 0.00 0.00 179.45 177.01 1i91 s GLU 214 N -4.38 4.11 0.71 1.90 2.12 -1.26 -5.04 118.70 116.85 1i91 s GLU 214 Ca -0.12 0.50 -0.11 0.00 0.36 0.00 0.00 54.97 55.60 1i91 s GLU 214 Cb 0.09 -3.65 0.02 0.00 0.26 0.00 0.00 34.13 30.86 1i91 s GLU 214 CO 0.85 -0.39 1.10 -1.25 -0.54 0.00 0.00 175.26 175.03 1i91 s PRO 215 N 2.42 2.81 0.12 4.30 0.04 -1.26 -4.71 135.00 138.73 1i91 s PRO 215 Ca 0.25 0.46 0.04 0.00 0.04 0.00 0.00 61.00 61.79 1i91 s PRO 215 Cb -0.16 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1i91 s PRO 215 CO 0.09 -1.07 0.13 0.96 0.04 0.00 0.00 177.00 177.15 1i91 s ILE 216 N -3.36 4.62 0.03 0.56 -4.36 0.45 -4.89 121.20 114.25 1i91 s ILE 216 Ca 0.58 -0.89 -0.19 0.00 -0.26 0.00 0.00 60.65 59.90 1i91 s ILE 216 Cb -0.11 -3.30 -0.06 0.00 1.25 0.00 0.00 42.46 40.24 1i91 s ILE 216 CO 0.52 -0.00 0.53 -0.44 0.24 0.00 0.00 174.94 175.79 1i91 s SER 217 N -2.80 6.97 -0.03 4.36 0.01 -1.26 -0.51 113.70 120.44 1i91 s SER 217 Ca 0.31 1.15 -0.01 0.00 1.31 0.00 0.00 55.95 58.71 1i91 s SER 217 Cb -0.11 -2.33 0.03 0.00 0.21 0.00 0.00 66.02 63.81 1i91 s SER 217 CO 0.23 0.23 0.07 -0.69 0.41 0.00 0.00 173.24 173.50 1i91 s VAL 218 N -0.80 -0.04 0.79 3.43 1.01 -0.39 -3.79 120.40 120.61 1i91 s VAL 218 Ca 0.28 0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.29 1i91 s VAL 218 Cb -0.18 -0.13 0.07 0.00 0.00 0.00 0.00 36.38 36.14 1i91 s VAL 218 CO 0.17 0.06 1.13 -0.94 0.00 0.00 0.00 175.10 175.52 1i91 s SER 219 N 0.84 4.09 0.43 3.32 1.04 -0.78 -1.11 113.70 121.54 1i91 s SER 219 Ca -0.07 2.05 0.22 0.00 0.48 0.00 0.00 55.95 58.64 1i91 s SER 219 Cb -0.09 -2.55 0.95 0.00 0.10 0.00 0.00 66.02 64.43 1i91 s SER 219 CO -0.03 -2.32 1.85 0.77 0.98 0.00 0.00 173.24 174.50 1i91 h SER 220 N -1.01 0.00 -0.01 7.02 4.64 -1.91 -2.57 113.55 119.71 1i91 h SER 220 Ca -0.45 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.72 1i91 h SER 220 Cb 1.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 1i91 h SER 220 CO 0.49 0.26 -0.49 -0.33 -0.87 0.00 0.00 176.83 175.88 1i91 h GLU 221 N 0.00 0.57 0.05 4.77 3.07 -1.95 0.23 114.58 121.31 1i91 h GLU 221 Ca -0.00 -0.33 -0.00 0.00 -0.50 0.00 0.00 59.36 58.53 1i91 h GLU 221 Cb 0.70 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 1i91 h GLU 221 CO 0.03 0.93 -0.02 1.96 -1.40 0.00 0.00 179.01 180.51 1i91 h GLN 222 N 0.45 -0.06 -0.47 2.33 4.20 -1.84 -2.84 115.11 116.88 1i91 h GLN 222 Ca 0.02 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 1i91 h GLN 222 Cb 1.02 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.79 1i91 h GLN 222 CO 0.09 0.16 -0.01 0.28 -0.67 0.00 0.00 178.83 178.69 1i91 h VAL 223 N -0.28 1.24 -0.88 -0.54 2.07 -1.39 -2.67 116.25 113.79 1i91 h VAL 223 Ca -0.01 -1.00 0.15 0.00 0.82 0.00 0.00 66.70 66.66 1i91 h VAL 223 Cb 0.25 0.89 -0.09 0.00 -1.52 0.00 0.00 31.29 30.82 1i91 h VAL 223 CO 0.01 0.35 0.48 0.25 0.02 0.00 0.00 177.57 178.69 1i91 h LEU 224 N 0.73 0.61 -1.69 2.57 6.46 -0.46 0.25 115.31 123.78 1i91 h LEU 224 Ca 0.14 0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 57.95 1i91 h LEU 224 Cb 0.45 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 1i91 h LEU 224 CO 0.02 0.26 -0.17 0.11 -0.62 0.00 0.00 178.44 178.04 1i91 h LYS 225 N 0.69 0.00 -0.42 1.25 1.57 -1.23 -2.55 116.57 115.88 1i91 h LYS 225 Ca 0.48 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.21 1i91 h LYS 225 Cb 0.66 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 1i91 h LYS 225 CO -0.35 0.17 0.07 0.74 -0.57 0.00 0.00 179.45 179.50 1i91 h PHE 226 N 0.00 0.74 0.00 -1.35 -1.00 -0.97 -3.12 116.94 111.24 1i91 h PHE 226 Ca -0.00 -0.10 0.00 0.00 2.81 0.00 0.00 57.97 60.68 1i91 h PHE 226 Cb 0.44 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 39.80 1i91 h PHE 226 CO 0.00 0.71 0.00 0.54 -1.61 0.00 0.00 178.31 177.95 1i91 n ARG 227 N -4.50 0.03 0.00 1.51 1.74 -0.96 -2.69 116.66 111.78 1i91 n ARG 227 Ca -0.00 0.27 0.13 0.00 -0.77 0.00 0.00 57.85 57.49 1i91 n ARG 227 Cb 0.24 -1.50 0.44 0.00 -1.02 0.00 0.00 32.46 30.62 1i91 n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1i91 n LYS 228 N -1.46 1.43 -1.64 5.56 5.02 -1.18 -4.35 118.16 121.54 1i91 n LYS 228 Ca 0.03 -0.87 -0.30 0.00 -2.02 0.00 0.00 58.31 55.15 1i91 n LYS 228 Cb 0.13 -1.48 0.08 0.00 -0.02 0.00 0.00 35.03 33.74 1i91 n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1i91 s LEU 229 N -2.17 2.70 -0.02 -0.35 1.43 -1.10 -4.90 118.68 114.27 1i91 s LEU 229 Ca 0.33 1.28 0.07 0.00 -1.03 0.00 0.00 54.13 54.77 1i91 s LEU 229 Cb 0.20 -3.95 -0.02 0.00 0.03 0.00 0.00 46.19 42.45 1i91 s LEU 229 CO 0.40 -1.79 -0.23 0.20 0.23 0.00 0.00 176.35 175.16 1i91 s ASN 230 N -4.01 3.31 0.10 2.29 0.01 0.14 -0.26 114.94 116.52 1i91 s ASN 230 Ca 0.60 -0.41 -0.07 0.00 -0.71 0.00 0.00 52.86 52.27 1i91 s ASN 230 Cb -0.14 -0.46 -0.17 0.00 0.41 0.00 0.00 41.25 40.89 1i91 s ASN 230 CO 0.54 0.32 1.23 -0.26 -1.51 0.00 0.00 177.10 177.42 1i91 h PHE 231 N 5.37 0.68 -4.36 2.20 0.04 -1.40 -3.34 116.94 116.15 1i91 h PHE 231 Ca -0.44 -0.40 -0.51 0.00 2.80 0.00 0.00 57.97 59.41 1i91 h PHE 231 Cb 1.13 -0.06 0.08 0.00 2.20 0.00 0.00 35.95 39.29 1i91 h PHE 231 CO 0.43 1.25 0.40 0.54 -0.60 0.00 0.00 178.31 180.32 1i91 s ASN 232 N -7.17 5.79 0.61 2.17 4.22 -1.26 -4.42 114.94 114.88 1i91 s ASN 232 Ca -0.06 1.47 -0.01 0.00 -2.14 0.00 0.00 52.86 52.12 1i91 s ASN 232 Cb 0.08 -2.43 0.05 0.00 1.28 0.00 0.00 41.25 40.23 1i91 s ASN 232 CO 0.88 -1.16 0.86 -0.83 -2.04 0.00 0.00 177.10 174.81 1i91 s GLY 233 N -4.03 1.79 0.31 0.45 0.00 -1.26 -0.13 107.32 104.45 1i91 s GLY 233 Ca 0.57 -1.28 -0.29 0.00 0.00 0.00 0.00 44.72 43.71 1i91 s GLY 233 CO 0.54 -0.94 1.39 -2.21 0.00 0.00 0.00 173.10 171.89 1i91 n GLU 234 N -2.54 2.25 0.00 2.90 2.13 -1.26 -2.04 120.64 122.08 1i91 n GLU 234 Ca 0.09 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.70 1i91 n GLU 234 Cb 0.60 -2.44 0.00 0.00 0.27 0.00 0.00 31.44 29.87 1i91 n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1i91 n GLY 235 N 1.34 2.59 3.96 8.31 0.00 -1.26 -5.03 105.19 115.11 1i91 n GLY 235 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 1i91 n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i91 s GLU 236 N -0.36 2.83 0.44 1.61 2.02 -0.86 -5.04 118.70 119.33 1i91 s GLU 236 Ca 0.00 -0.66 -0.25 0.00 0.02 0.00 0.00 54.97 54.08 1i91 s GLU 236 Cb 0.00 -2.54 -0.08 0.00 0.10 0.00 0.00 34.13 31.61 1i91 s GLU 236 CO 0.00 -0.46 1.40 -2.14 0.02 0.00 0.00 175.26 174.08 1i91 s PRO 237 N -4.63 3.75 0.02 0.39 0.02 -1.26 -4.91 135.00 128.38 1i91 s PRO 237 Ca 0.52 2.37 -0.30 0.00 0.02 0.00 0.00 61.00 63.61 1i91 s PRO 237 Cb -0.10 -2.68 -0.04 0.00 0.02 0.00 0.00 34.50 31.69 1i91 s PRO 237 CO 0.38 -0.75 1.14 -2.00 -0.33 0.00 0.00 177.00 175.45 1i91 s GLU 238 N -2.40 4.44 -0.20 5.54 2.12 -1.26 -4.73 118.70 122.20 1i91 s GLU 238 Ca 0.60 1.66 -0.03 0.00 0.36 0.00 0.00 54.97 57.56 1i91 s GLU 238 Cb -0.43 -3.42 0.06 0.00 0.26 0.00 0.00 34.13 30.60 1i91 s GLU 238 CO 0.55 -0.25 0.05 -2.00 -0.54 0.00 0.00 175.26 173.06 1i91 s GLU 239 N 1.33 0.60 0.22 4.30 2.56 -1.26 -5.06 118.70 121.39 1i91 s GLU 239 Ca 0.56 -0.44 -0.32 0.00 0.00 0.00 0.00 54.97 54.77 1i91 s GLU 239 Cb -0.26 -2.06 -0.13 0.00 2.00 0.00 0.00 34.13 33.68 1i91 s GLU 239 CO 0.27 -0.68 1.50 1.28 -0.56 0.00 0.00 175.26 177.08 1i91 n LEU 240 N 5.06 3.35 -4.54 2.70 4.32 -1.26 -1.12 117.00 125.50 1i91 n LEU 240 Ca -0.08 1.12 -0.41 0.00 -0.02 0.00 0.00 56.01 56.61 1i91 n LEU 240 Cb 0.47 -1.46 -0.03 0.00 -1.62 0.00 0.00 43.42 40.78 1i91 n LEU 240 CO 0.12 -0.29 1.31 -0.32 -1.22 0.00 0.00 177.39 176.99 1i91 s MET 241 N 0.04 3.48 0.08 3.23 -2.45 0.64 -4.68 119.30 119.64 1i91 s MET 241 Ca 0.71 -0.99 -0.02 0.00 -1.25 0.00 0.00 55.69 54.14 1i91 s MET 241 Cb -0.63 -4.98 -0.03 0.00 1.25 0.00 0.00 34.83 30.44 1i91 s MET 241 CO 0.45 -2.12 0.03 0.14 1.05 0.00 0.00 175.02 174.57 1i91 s VAL 242 N 4.82 0.17 -1.38 10.11 -7.23 -1.26 -4.49 120.40 121.14 1i91 s VAL 242 Ca 0.41 -1.76 -0.03 0.00 -1.81 0.00 0.00 61.98 58.78 1i91 s VAL 242 Cb -0.03 -1.68 0.02 0.00 0.56 0.00 0.00 36.38 35.25 1i91 s VAL 242 CO -0.03 -0.77 0.71 0.47 -0.31 0.00 0.00 175.10 175.17 1i91 n ASP 243 N 0.02 -1.76 -3.12 4.85 8.00 -0.23 -4.88 116.55 119.43 1i91 n ASP 243 Ca -0.11 -0.85 -0.36 0.00 0.71 0.00 0.00 54.79 54.18 1i91 n ASP 243 Cb 0.62 -3.81 -0.01 0.00 -0.02 0.00 0.00 41.12 37.90 1i91 n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1i91 n ASN 244 N -2.99 7.35 -4.19 -2.24 6.94 -1.09 -4.92 115.26 114.11 1i91 n ASN 244 Ca -0.23 -3.39 -0.20 0.00 -0.02 0.00 0.00 54.58 50.74 1i91 n ASN 244 Cb 0.65 -1.23 -0.12 0.00 -2.36 0.00 0.00 39.78 36.71 1i91 n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1i91 s TRP 245 N -2.47 1.35 -0.05 -2.53 1.48 -1.26 -4.59 118.94 110.87 1i91 s TRP 245 Ca 0.52 -0.44 -0.09 0.00 -1.06 0.00 0.00 56.10 55.03 1i91 s TRP 245 Cb 0.29 -0.75 -0.05 0.00 -1.16 0.00 0.00 33.47 31.80 1i91 s TRP 245 CO -0.20 0.09 0.25 0.50 -4.06 0.00 0.00 176.95 173.54 1i91 s ARG 246 N -1.73 3.62 0.70 3.25 3.52 -1.26 -4.98 118.95 122.07 1i91 s ARG 246 Ca 0.00 0.05 -0.15 0.00 -0.13 0.00 0.00 55.73 55.50 1i91 s ARG 246 Cb -0.10 -3.17 0.02 0.00 -1.56 0.00 0.00 34.95 30.14 1i91 s ARG 246 CO 0.03 0.72 1.16 -1.25 -0.81 0.00 0.00 175.30 175.14 1i91 s PRO 247 N -1.22 2.44 0.29 5.12 0.04 -1.26 -4.75 135.00 135.67 1i91 s PRO 247 Ca 0.21 1.57 -0.30 0.00 0.04 0.00 0.00 61.00 62.52 1i91 s PRO 247 Cb -0.14 -1.89 -0.11 0.00 0.04 0.00 0.00 34.50 32.40 1i91 s PRO 247 CO 0.10 -1.56 1.60 0.00 0.04 0.00 0.00 177.00 177.17 1i91 s ALA 248 N -2.17 3.75 0.35 8.56 0.00 -1.26 -4.38 121.76 126.61 1i91 s ALA 248 Ca 0.70 1.58 0.03 0.00 0.00 0.00 0.00 51.96 54.28 1i91 s ALA 248 Cb -0.25 -3.65 -0.02 0.00 0.00 0.00 0.00 23.12 19.21 1i91 s ALA 248 CO 0.43 -0.99 0.52 -0.65 0.00 0.00 0.00 175.76 175.08 1i91 s GLN 249 N -0.50 3.22 0.25 0.00 -1.52 0.23 -4.95 119.66 116.39 1i91 s GLN 249 Ca 0.63 -0.70 -0.30 0.00 -1.95 0.00 0.00 55.36 53.04 1i91 s GLN 249 Cb -0.48 -2.73 -0.09 0.00 -0.22 0.00 0.00 33.01 29.49 1i91 s GLN 249 CO 0.48 0.05 1.23 -1.25 -0.25 0.00 0.00 175.29 175.55 1i91 s PRO 250 N -4.27 4.47 0.49 2.91 0.04 -1.26 -4.54 135.00 132.84 1i91 s PRO 250 Ca 0.43 1.99 0.25 0.00 0.04 0.00 0.00 61.00 63.71 1i91 s PRO 250 Cb -0.10 -3.17 1.28 0.00 0.04 0.00 0.00 34.50 32.56 1i91 s PRO 250 CO 0.33 -0.07 2.00 1.25 0.04 0.00 0.00 177.00 180.56 1i91 h LEU 251 N 4.37 0.00 0.00 -3.56 5.85 -1.94 -3.45 115.31 116.59 1i91 h LEU 251 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1i91 h LEU 251 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1i91 h LEU 251 CO 0.71 0.16 0.00 0.29 -0.34 0.00 0.00 178.44 179.26 1i91 n LYS 252 N -3.64 0.00 -2.87 1.25 4.76 -1.26 -3.02 118.16 113.38 1i91 n LYS 252 Ca -0.01 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.00 1i91 n LYS 252 Cb 0.29 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.49 1i91 n LYS 252 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1i91 n ASN 253 N 2.40 6.37 -4.15 4.39 4.13 -1.26 -4.96 115.26 122.18 1i91 n ASN 253 Ca 0.00 -3.40 -0.11 0.00 1.68 0.00 0.00 54.58 52.76 1i91 n ASN 253 Cb 0.00 -1.29 -0.10 0.00 -1.54 0.00 0.00 39.78 36.85 1i91 n ASN 253 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1i91 s ARG 254 N -2.51 0.77 -0.03 3.52 0.52 -1.17 -5.13 118.95 114.92 1i91 s ARG 254 Ca 0.33 -1.25 0.03 0.00 -0.52 0.00 0.00 55.73 54.33 1i91 s ARG 254 Cb 0.07 -0.17 -0.00 0.00 0.52 0.00 0.00 34.95 35.36 1i91 s ARG 254 CO 0.07 -0.02 -0.12 -1.14 0.02 0.00 0.00 175.30 174.11 1i91 s GLN 255 N -3.55 1.27 -0.30 3.54 0.74 -1.26 -5.05 119.66 115.05 1i91 s GLN 255 Ca 0.08 -0.44 -0.14 0.00 0.05 0.00 0.00 55.36 54.92 1i91 s GLN 255 Cb 0.04 -1.15 -0.03 0.00 1.10 0.00 0.00 33.01 32.97 1i91 s GLN 255 CO -0.05 0.18 0.33 0.42 -0.55 0.00 0.00 175.29 175.63 1i91 s ILE 256 N 0.07 5.20 0.03 -2.34 1.01 -1.26 -4.70 121.20 119.21 1i91 s ILE 256 Ca -0.02 0.27 -0.08 0.00 0.00 0.00 0.00 60.65 60.82 1i91 s ILE 256 Cb -0.09 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 1i91 s ILE 256 CO 0.01 0.08 0.32 -0.54 0.00 0.00 0.00 174.94 174.81 1i91 s LYS 257 N 1.98 3.66 -0.01 2.79 -0.14 -0.79 -1.32 119.74 125.92 1i91 s LYS 257 Ca 0.12 0.03 0.02 0.00 -1.36 0.00 0.00 55.97 54.78 1i91 s LYS 257 Cb -0.16 -3.05 -0.03 0.00 -1.68 0.00 0.00 37.83 32.90 1i91 s LYS 257 CO 0.11 0.62 -0.02 0.00 -0.76 0.00 0.00 175.35 175.29 1i91 s ALA 258 N -1.33 3.19 -1.70 5.17 0.00 0.85 -1.12 121.76 126.82 1i91 s ALA 258 Ca 0.29 -0.96 0.16 0.00 0.00 0.00 0.00 51.96 51.45 1i91 s ALA 258 Cb -0.14 -1.28 0.51 0.00 0.00 0.00 0.00 23.12 22.22 1i91 s ALA 258 CO 0.17 0.63 1.41 -1.13 0.00 0.00 0.00 175.76 176.84 1i91 n SER 259 N 1.52 3.27 -4.00 0.00 3.41 -0.44 -1.92 113.62 115.46 1i91 n SER 259 Ca -0.15 -2.13 -0.08 0.00 -0.26 0.00 0.00 58.87 56.24 1i91 n SER 259 Cb 0.53 -0.42 -0.09 0.00 -0.26 0.00 0.00 64.21 63.97 1i91 n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1i91 s PHE 260 N -1.46 0.44 -0.14 7.33 -0.71 -1.26 -4.88 117.98 117.30 1i91 s PHE 260 Ca 0.38 -0.89 0.01 0.00 -1.04 0.00 0.00 56.93 55.39 1i91 s PHE 260 Cb 0.22 -0.24 0.01 0.00 -1.21 0.00 0.00 43.02 41.79 1i91 s PHE 260 CO 0.23 -0.51 0.54 1.17 -1.34 0.00 0.00 175.22 175.30