#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a42 s TRP 5 N 0.00 2.04 0.00 1.57 1.48 -1.26 -4.87 118.94 117.91 1a42 s TRP 5 Ca 0.00 1.68 0.00 0.00 -1.06 0.00 0.00 56.10 56.72 1a42 s TRP 5 Cb 0.00 -3.26 0.00 0.00 -1.16 0.00 0.00 33.47 29.05 1a42 s TRP 5 CO 0.00 -2.40 0.00 0.41 -4.06 0.00 0.00 176.95 170.90 1a42 n GLY 6 N -0.25 1.56 0.27 3.67 0.00 0.15 -5.03 105.19 105.56 1a42 n GLY 6 Ca 0.11 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.91 1a42 n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1a42 n TYR 7 N 0.00 0.00 -2.75 1.61 4.01 -1.26 -3.80 117.16 114.98 1a42 n TYR 7 Ca 0.00 -0.64 -0.21 0.00 -0.16 0.00 0.00 57.90 56.89 1a42 n TYR 7 Cb 0.00 -0.12 0.03 0.00 -0.31 0.00 0.00 39.34 38.94 1a42 n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1a42 s GLY 8 N -2.19 1.80 0.32 2.72 0.00 -1.26 -4.69 107.32 104.01 1a42 s GLY 8 Ca 0.21 -1.33 0.09 0.00 0.00 0.00 0.00 44.72 43.68 1a42 s GLY 8 CO 0.01 -1.08 1.71 1.70 0.00 0.00 0.00 173.10 175.44 1a42 h LYS 9 N 0.20 0.49 0.00 2.90 3.64 -1.97 0.40 116.57 122.23 1a42 h LYS 9 Ca -0.42 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1a42 h LYS 9 Cb 1.29 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1a42 h LYS 9 CO 0.52 0.33 -0.66 0.45 -2.27 0.00 0.00 179.45 177.81 1a42 h HIS 10 N 0.51 0.00 0.00 1.91 3.86 -1.99 -3.37 115.15 116.07 1a42 h HIS 10 Ca 0.65 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.81 1a42 h HIS 10 Cb 1.27 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.64 1a42 h HIS 10 CO -0.03 0.00 -0.62 0.27 0.86 0.00 0.00 177.93 178.41 1a42 n ASN 11 N -2.52 0.24 -2.90 2.45 6.94 -0.66 -4.95 115.26 113.85 1a42 n ASN 11 Ca 0.02 -1.99 -0.14 0.00 -0.02 0.00 0.00 54.58 52.46 1a42 n ASN 11 Cb 0.50 -0.22 0.10 0.00 -2.36 0.00 0.00 39.78 37.80 1a42 n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1a42 n GLY 12 N 0.12 -1.42 0.31 4.83 0.00 0.13 -0.68 105.19 108.49 1a42 n GLY 12 Ca 0.01 -1.67 0.11 0.00 0.00 0.00 0.00 46.02 44.47 1a42 n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a42 h PRO 13 N 0.00 0.08 0.00 1.61 0.11 -1.86 0.23 132.00 132.17 1a42 h PRO 13 Ca -0.20 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1a42 h PRO 13 Cb 0.56 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1a42 h PRO 13 CO 0.14 0.05 0.13 0.39 -0.21 0.00 0.00 178.00 178.50 1a42 n GLU 14 N -5.39 0.09 -0.00 1.05 4.71 -1.26 -0.95 120.64 118.88 1a42 n GLU 14 Ca 0.19 0.56 0.05 0.00 -0.01 0.00 0.00 57.16 57.95 1a42 n GLU 14 Cb 0.64 -1.91 -0.08 0.00 -1.01 0.00 0.00 31.44 29.08 1a42 n GLU 14 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1a42 n HIS 15 N -1.97 0.00 0.11 -0.32 8.25 0.06 -4.69 115.22 116.66 1a42 n HIS 15 Ca -0.01 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.53 1a42 n HIS 15 Cb 0.15 -0.21 0.55 0.00 1.12 0.00 0.00 29.99 31.60 1a42 n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1a42 h TRP 16 N 0.00 0.24 -0.07 4.41 6.55 -0.98 -0.57 115.95 125.52 1a42 h TRP 16 Ca 0.00 0.01 0.02 0.00 0.95 0.00 0.00 58.89 59.87 1a42 h TRP 16 Cb 0.43 -0.08 -0.00 0.00 -0.86 0.00 0.00 29.16 28.65 1a42 h TRP 16 CO 0.00 0.14 0.11 1.12 -1.05 0.00 0.00 178.44 178.76 1a42 h HIS 17 N 0.25 0.00 0.00 0.49 2.07 -1.74 0.14 115.15 116.35 1a42 h HIS 17 Ca 0.11 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.58 1a42 h HIS 17 Cb 0.12 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.10 1a42 h HIS 17 CO -0.00 0.00 -0.24 0.87 -3.07 0.00 0.00 177.93 175.49 1a42 h LYS 18 N 0.00 0.00 0.00 5.12 1.57 -1.45 -3.03 116.57 118.79 1a42 h LYS 18 Ca 0.03 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1a42 h LYS 18 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1a42 h LYS 18 CO -0.00 0.24 -1.30 -0.25 -0.57 0.00 0.00 179.45 177.57 1a42 n ASP 19 N -3.51 3.66 -3.78 0.86 8.00 -0.15 -4.79 116.55 116.85 1a42 n ASP 19 Ca -0.01 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.21 1a42 n ASP 19 Cb 0.40 1.09 -0.13 0.00 -0.02 0.00 0.00 41.12 42.46 1a42 n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1a42 s PHE 20 N -2.33 2.59 0.56 1.24 0.08 0.30 -4.97 117.98 115.46 1a42 s PHE 20 Ca -0.02 -2.84 0.27 0.00 0.12 0.00 0.00 56.93 54.45 1a42 s PHE 20 Cb 0.03 -2.21 1.50 0.00 -0.57 0.00 0.00 43.02 41.78 1a42 s PHE 20 CO 0.24 -0.71 2.02 -1.35 -0.10 0.00 0.00 175.22 175.31 1a42 h PRO 21 N 6.16 0.00 0.00 0.24 0.11 -1.77 -1.38 132.00 135.37 1a42 h PRO 21 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1a42 h PRO 21 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1a42 h PRO 21 CO 0.58 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.88 1a42 n ILE 22 N -4.03 1.56 0.30 4.15 0.13 -1.26 -1.90 119.36 118.32 1a42 n ILE 22 Ca 0.06 0.60 0.18 0.00 -1.10 0.00 0.00 62.75 62.49 1a42 n ILE 22 Cb 0.50 -1.60 0.93 0.00 -0.84 0.00 0.00 39.64 38.63 1a42 n ILE 22 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1a42 h ALA 23 N 2.01 1.36 -0.56 1.51 0.00 -1.56 0.07 119.26 122.09 1a42 h ALA 23 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a42 h ALA 23 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1a42 h ALA 23 CO 0.00 -0.26 0.00 1.63 0.00 0.00 0.00 179.25 180.62 1a42 n LYS 24 N -3.12 3.22 -0.49 0.00 4.76 -0.80 -4.97 118.16 116.76 1a42 n LYS 24 Ca -0.01 -2.64 -0.08 0.00 -2.87 0.00 0.00 58.31 52.71 1a42 n LYS 24 Cb 0.30 -1.66 0.06 0.00 -1.84 0.00 0.00 35.03 31.89 1a42 n LYS 24 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1a42 n GLY 25 N 0.93 -1.45 0.18 0.72 0.00 0.01 -5.01 105.19 100.57 1a42 n GLY 25 Ca 0.22 -1.64 0.08 0.00 0.00 0.00 0.00 46.02 44.67 1a42 n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a42 h GLU 26 N 0.00 0.00 -2.03 1.61 4.39 -1.95 -3.37 114.58 113.24 1a42 h GLU 26 Ca -0.12 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.09 1a42 h GLU 26 Cb 0.33 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.58 1a42 h GLU 26 CO 0.08 0.19 -1.15 2.89 -1.16 0.00 0.00 179.01 179.86 1a42 n ARG 27 N -3.12 1.16 -3.01 2.33 1.85 -1.26 -4.74 116.66 109.87 1a42 n ARG 27 Ca 0.03 -3.51 -0.35 0.00 -1.00 0.00 0.00 57.85 53.02 1a42 n ARG 27 Cb 0.61 -1.74 -0.06 0.00 -1.05 0.00 0.00 32.46 30.22 1a42 n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1a42 s GLN 28 N -2.47 4.25 0.25 2.89 -1.52 -1.26 -1.96 119.66 119.84 1a42 s GLN 28 Ca 0.41 0.94 0.10 0.00 -1.95 0.00 0.00 55.36 54.86 1a42 s GLN 28 Cb 0.34 -2.67 -0.04 0.00 -0.22 0.00 0.00 33.01 30.42 1a42 s GLN 28 CO -0.09 0.26 -0.08 -1.12 -0.25 0.00 0.00 175.29 174.01 1a42 s SER 29 N -1.87 4.19 1.00 5.90 0.01 -1.26 -4.64 113.70 117.03 1a42 s SER 29 Ca 0.49 -0.75 -0.17 0.00 1.31 0.00 0.00 55.95 56.83 1a42 s SER 29 Cb -0.14 -0.65 0.23 0.00 0.21 0.00 0.00 66.02 65.66 1a42 s SER 29 CO 0.20 0.03 1.34 -2.16 0.41 0.00 0.00 173.24 173.05 1a42 s PRO 30 N -3.46 0.31 0.22 12.44 0.04 -1.26 -4.56 135.00 138.73 1a42 s PRO 30 Ca 0.30 -0.48 0.00 0.00 0.04 0.00 0.00 61.00 60.86 1a42 s PRO 30 Cb -0.06 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1a42 s PRO 30 CO 0.17 -2.63 0.16 0.14 0.04 0.00 0.00 177.00 174.88 1a42 s VAL 31 N -3.89 0.00 -0.09 -0.36 -7.23 -1.26 0.04 120.40 107.61 1a42 s VAL 31 Ca 0.76 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.72 1a42 s VAL 31 Cb -0.03 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 1a42 s VAL 31 CO 0.54 0.00 0.61 -0.62 -0.31 0.00 0.00 175.10 175.32 1a42 s ASP 32 N -3.19 6.86 -0.53 4.85 2.15 -1.26 -3.12 116.67 122.43 1a42 s ASP 32 Ca 0.39 1.03 -0.23 0.00 0.43 0.00 0.00 52.55 54.18 1a42 s ASP 32 Cb 0.06 -2.36 0.04 0.00 -0.30 0.00 0.00 42.92 40.37 1a42 s ASP 32 CO 0.15 -0.07 0.86 -0.63 -0.17 0.00 0.00 175.17 175.31 1a42 s ILE 33 N 0.73 4.51 -0.41 4.11 1.09 -0.24 -4.92 121.20 126.08 1a42 s ILE 33 Ca 0.33 0.12 -0.25 0.00 -1.10 0.00 0.00 60.65 59.75 1a42 s ILE 33 Cb -0.17 -4.47 0.02 0.00 -1.06 0.00 0.00 42.46 36.78 1a42 s ILE 33 CO 0.15 -1.02 0.88 -0.62 -0.10 0.00 0.00 174.94 174.23 1a42 s ASP 34 N 2.76 6.56 0.35 3.58 2.15 -1.26 -0.63 116.67 130.18 1a42 s ASP 34 Ca 0.27 0.30 0.06 0.00 0.43 0.00 0.00 52.55 53.61 1a42 s ASP 34 Cb -0.14 -2.44 0.65 0.00 -0.30 0.00 0.00 42.92 40.69 1a42 s ASP 34 CO 0.18 -0.90 1.88 0.71 -0.17 0.00 0.00 175.17 176.87 1a42 h THR 35 N 5.91 1.19 0.00 1.71 1.35 -1.95 -2.42 112.91 118.70 1a42 h THR 35 Ca -0.24 -0.80 -0.01 0.00 -0.55 0.00 0.00 66.41 64.81 1a42 h THR 35 Cb 1.08 1.03 -0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1a42 h THR 35 CO 0.98 0.27 -0.02 0.45 -0.25 0.00 0.00 175.52 176.94 1a42 h HIS 36 N 0.42 0.00 -0.26 4.73 3.86 -2.04 -3.19 115.15 118.67 1a42 h HIS 36 Ca 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1a42 h HIS 36 Cb 0.35 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1a42 h HIS 36 CO 0.01 0.02 0.00 0.25 0.86 0.00 0.00 177.93 179.08 1a42 n THR 37 N -3.11 0.91 -2.78 2.45 -2.24 -0.93 -4.98 114.28 103.59 1a42 n THR 37 Ca 0.02 -0.95 -0.40 0.00 -2.27 0.00 0.00 64.05 60.45 1a42 n THR 37 Cb 0.42 0.56 -0.06 0.00 -2.10 0.00 0.00 70.33 69.16 1a42 n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a42 s ALA 38 N -0.98 3.33 -0.26 6.98 0.00 -1.06 -4.85 121.76 124.93 1a42 s ALA 38 Ca 0.18 0.57 -0.22 0.00 0.00 0.00 0.00 51.96 52.49 1a42 s ALA 38 Cb 0.10 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 20.02 1a42 s ALA 38 CO 0.13 0.16 0.73 0.21 0.00 0.00 0.00 175.76 176.99 1a42 s LYS 39 N -0.89 4.11 0.04 0.00 2.47 -0.46 -4.79 119.74 120.21 1a42 s LYS 39 Ca 0.42 0.69 -0.30 0.00 -1.56 0.00 0.00 55.97 55.22 1a42 s LYS 39 Cb -0.25 -3.66 -0.07 0.00 -1.46 0.00 0.00 37.83 32.39 1a42 s LYS 39 CO 0.31 -0.50 1.61 -0.47 0.16 0.00 0.00 175.35 176.45 1a42 s TYR 40 N 2.71 2.42 -0.21 4.03 5.04 -1.26 -0.45 117.35 129.62 1a42 s TYR 40 Ca 0.30 0.39 -0.03 0.00 -2.44 0.00 0.00 57.07 55.29 1a42 s TYR 40 Cb -0.15 -3.90 -0.00 0.00 0.35 0.00 0.00 41.96 38.26 1a42 s TYR 40 CO 0.09 -3.61 -0.07 0.34 -1.34 0.00 0.00 175.55 170.96 1a42 s ASP 41 N 2.48 4.11 0.00 4.32 -1.08 -0.01 -4.86 116.67 121.62 1a42 s ASP 41 Ca 0.72 -0.45 0.29 0.00 -0.52 0.00 0.00 52.55 52.59 1a42 s ASP 41 Cb -0.37 -1.69 1.25 0.00 -1.46 0.00 0.00 42.92 40.64 1a42 s ASP 41 CO 0.31 -0.02 1.86 -0.81 0.52 0.00 0.00 175.17 177.03 1a42 n PRO 42 N 4.77 1.35 0.00 4.34 -0.04 -1.26 -3.52 135.00 140.63 1a42 n PRO 42 Ca -0.19 -0.63 0.14 0.00 -0.04 0.00 0.00 63.50 62.79 1a42 n PRO 42 Cb 0.51 -1.49 0.55 0.00 -0.04 0.00 0.00 33.50 33.03 1a42 n PRO 42 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1a42 n SER 43 N -0.28 1.29 -4.70 3.54 7.64 -1.26 -4.89 113.62 114.96 1a42 n SER 43 Ca 0.19 -1.37 -0.42 0.00 1.01 0.00 0.00 58.87 58.28 1a42 n SER 43 Cb 0.29 0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.47 1a42 n SER 43 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1a42 s LEU 44 N -2.06 4.31 0.64 -3.43 1.02 -1.23 -5.05 118.68 112.88 1a42 s LEU 44 Ca 0.37 1.66 -0.10 0.00 0.02 0.00 0.00 54.13 56.08 1a42 s LEU 44 Cb 0.21 -3.56 -0.02 0.00 0.02 0.00 0.00 46.19 42.84 1a42 s LEU 44 CO 0.36 -0.39 1.03 -0.54 0.02 0.00 0.00 176.35 176.82 1a42 s LYS 45 N 1.57 3.28 0.75 1.70 3.01 -1.24 -4.99 119.74 123.81 1a42 s LYS 45 Ca 0.52 0.55 -0.14 0.00 -1.01 0.00 0.00 55.97 55.89 1a42 s LYS 45 Cb -0.21 -2.09 0.05 0.00 -1.01 0.00 0.00 37.83 34.57 1a42 s LYS 45 CO 0.23 -0.72 1.17 -2.14 0.51 0.00 0.00 175.35 174.40 1a42 s PRO 46 N -5.20 2.08 0.49 -1.68 0.02 -1.26 -2.95 135.00 126.49 1a42 s PRO 46 Ca 0.56 1.60 -0.21 0.00 0.02 0.00 0.00 61.00 62.97 1a42 s PRO 46 Cb -0.11 -1.84 -0.08 0.00 0.02 0.00 0.00 34.50 32.49 1a42 s PRO 46 CO 0.52 -1.85 1.07 -0.51 -0.33 0.00 0.00 177.00 175.90 1a42 s LEU 47 N -5.42 3.86 -0.18 -5.54 1.43 -1.26 -1.08 118.68 110.49 1a42 s LEU 47 Ca 0.70 2.02 -0.01 0.00 -1.03 0.00 0.00 54.13 55.81 1a42 s LEU 47 Cb -0.25 -4.51 0.05 0.00 0.03 0.00 0.00 46.19 41.51 1a42 s LEU 47 CO 0.48 -0.86 -0.03 -0.94 0.23 0.00 0.00 176.35 175.23 1a42 s SER 48 N -1.85 2.96 -0.28 2.29 1.04 0.93 -4.87 113.70 113.93 1a42 s SER 48 Ca 0.67 -0.76 -0.07 0.00 0.48 0.00 0.00 55.95 56.27 1a42 s SER 48 Cb -0.19 -0.86 -0.00 0.00 0.10 0.00 0.00 66.02 65.06 1a42 s SER 48 CO 0.23 -0.22 0.07 -0.69 0.98 0.00 0.00 173.24 173.61 1a42 s VAL 49 N 1.66 4.04 -0.66 5.02 1.01 -1.26 -0.72 120.40 129.49 1a42 s VAL 49 Ca -0.01 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1a42 s VAL 49 Cb -0.16 -3.00 0.17 0.00 0.00 0.00 0.00 36.38 33.38 1a42 s VAL 49 CO -0.07 0.19 0.47 -0.44 0.00 0.00 0.00 175.10 175.25 1a42 s SER 50 N 1.54 5.15 -0.01 3.32 0.01 -0.24 -4.90 113.70 118.57 1a42 s SER 50 Ca 0.04 -3.16 0.19 0.00 1.31 0.00 0.00 55.95 54.34 1a42 s SER 50 Cb -0.16 -1.80 0.55 0.00 0.21 0.00 0.00 66.02 64.82 1a42 s SER 50 CO 0.02 -0.28 1.46 -1.22 0.41 0.00 0.00 173.24 173.64 1a42 n TYR 51 N 3.04 0.86 -0.34 2.43 4.01 -1.26 -1.97 117.16 123.92 1a42 n TYR 51 Ca 0.11 -0.51 -0.03 0.00 -0.16 0.00 0.00 57.90 57.31 1a42 n TYR 51 Cb 0.36 -0.02 0.09 0.00 -0.31 0.00 0.00 39.34 39.46 1a42 n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1a42 h ASP 52 N 3.62 1.14 -0.80 7.72 2.03 -1.90 -2.98 116.42 125.24 1a42 h ASP 52 Ca 0.00 -0.09 -0.40 0.00 -0.73 0.00 0.00 57.03 55.81 1a42 h ASP 52 Cb 0.94 -0.29 -0.24 0.00 -0.83 0.00 0.00 39.33 38.92 1a42 h ASP 52 CO 0.01 0.90 0.43 0.00 -1.03 0.00 0.00 179.24 179.55 1a42 n GLN 53 N -4.34 2.30 -2.37 4.15 10.64 -1.26 -5.01 117.38 121.50 1a42 n GLN 53 Ca 0.10 -3.06 -0.41 0.00 -1.83 0.00 0.00 57.00 51.80 1a42 n GLN 53 Cb 0.08 -2.09 -0.04 0.00 -0.86 0.00 0.00 30.24 27.34 1a42 n GLN 53 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1a42 s ALA 54 N -3.25 3.44 -0.40 2.61 0.00 -1.13 -4.54 121.76 118.49 1a42 s ALA 54 Ca 0.54 1.00 -0.01 0.00 0.00 0.00 0.00 51.96 53.48 1a42 s ALA 54 Cb 0.46 -3.38 0.11 0.00 0.00 0.00 0.00 23.12 20.30 1a42 s ALA 54 CO 0.08 -0.32 0.17 0.99 0.00 0.00 0.00 175.76 176.68 1a42 s THR 55 N -0.91 3.03 0.42 0.00 2.01 -1.26 -4.86 115.64 114.07 1a42 s THR 55 Ca 0.47 -2.16 -0.21 0.00 0.31 0.00 0.00 61.69 60.11 1a42 s THR 55 Cb -0.34 -3.11 -0.11 0.00 0.01 0.00 0.00 72.50 68.95 1a42 s THR 55 CO 0.43 -0.67 0.95 -0.94 -0.69 0.00 0.00 174.62 173.69 1a42 s SER 56 N 1.56 6.95 -0.01 3.53 1.04 -1.26 -0.84 113.70 124.67 1a42 s SER 56 Ca 0.09 1.69 -0.00 0.00 0.48 0.00 0.00 55.95 58.21 1a42 s SER 56 Cb -0.22 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.36 1a42 s SER 56 CO -0.05 -0.35 -0.01 0.18 0.98 0.00 0.00 173.24 173.99 1a42 n LEU 57 N -0.58 1.24 -3.64 2.42 4.77 -0.25 -3.77 117.00 117.18 1a42 n LEU 57 Ca 0.07 0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.90 1a42 n LEU 57 Cb 0.54 -0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 1a42 n LEU 57 CO 0.37 0.22 0.27 -0.60 -1.33 0.00 0.00 177.39 176.32 1a42 s ARG 58 N -2.02 0.81 0.07 3.23 3.52 -1.22 -0.19 118.95 123.15 1a42 s ARG 58 Ca -0.01 0.37 0.06 0.00 -0.13 0.00 0.00 55.73 56.01 1a42 s ARG 58 Cb 0.00 0.38 -0.04 0.00 -1.56 0.00 0.00 34.95 33.74 1a42 s ARG 58 CO 0.02 -0.19 -0.10 -1.50 -0.81 0.00 0.00 175.30 172.71 1a42 s ILE 59 N -0.62 3.37 -0.09 4.11 2.07 -0.45 -0.44 121.20 129.14 1a42 s ILE 59 Ca -0.07 -1.11 -0.07 0.00 -1.41 0.00 0.00 60.65 57.99 1a42 s ILE 59 Cb -0.03 -2.52 0.03 0.00 0.13 0.00 0.00 42.46 40.07 1a42 s ILE 59 CO 0.05 0.23 0.23 -0.22 -1.91 0.00 0.00 174.94 173.32 1a42 s LEU 60 N -1.87 0.82 -0.29 8.50 2.96 -0.58 -0.76 118.68 127.46 1a42 s LEU 60 Ca 0.19 0.48 -0.16 0.00 -0.22 0.00 0.00 54.13 54.42 1a42 s LEU 60 Cb -0.11 0.76 -0.03 0.00 0.50 0.00 0.00 46.19 47.31 1a42 s LEU 60 CO 0.11 -0.12 0.43 0.21 -1.32 0.00 0.00 176.35 175.66 1a42 s ASN 61 N 0.62 6.29 -0.02 3.68 3.84 -0.30 -1.01 114.94 128.04 1a42 s ASN 61 Ca -0.04 0.22 0.18 0.00 0.21 0.00 0.00 52.86 53.43 1a42 s ASN 61 Cb -0.05 -2.24 0.54 0.00 -0.55 0.00 0.00 41.25 38.95 1a42 s ASN 61 CO -0.03 -0.28 1.46 -0.46 -2.79 0.00 0.00 177.10 174.99 1a42 n ASN 62 N 5.46 3.72 0.00 -4.21 0.23 -0.69 -1.29 115.26 118.48 1a42 n ASN 62 Ca -0.07 -2.08 0.00 0.00 -0.53 0.00 0.00 54.58 51.90 1a42 n ASN 62 Cb 0.50 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 1a42 n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1a42 n GLY 63 N 1.17 1.37 0.00 4.83 0.00 -1.26 -4.79 105.19 106.51 1a42 n GLY 63 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.22 1a42 n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a42 n HIS 64 N -2.00 0.00 -3.62 1.61 8.25 -1.26 -4.72 115.22 113.48 1a42 n HIS 64 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 1a42 n HIS 64 Cb 0.00 -0.02 0.01 0.00 1.12 0.00 0.00 29.99 31.10 1a42 n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a42 n ALA 65 N -2.35 -1.35 -2.59 -1.41 0.00 -1.26 -4.87 120.51 106.67 1a42 n ALA 65 Ca -0.01 -0.60 -0.33 0.00 0.00 0.00 0.00 53.44 52.50 1a42 n ALA 65 Cb 0.51 0.38 -0.11 0.00 0.00 0.00 0.00 19.45 20.23 1a42 n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1a42 s PHE 66 N -4.22 2.93 -0.00 0.00 -0.71 -1.26 -1.71 117.98 113.01 1a42 s PHE 66 Ca 0.12 0.01 0.06 0.00 -1.04 0.00 0.00 56.93 56.08 1a42 s PHE 66 Cb -0.02 -1.68 -0.03 0.00 -1.21 0.00 0.00 43.02 40.08 1a42 s PHE 66 CO 0.04 0.35 -0.19 -0.80 -1.34 0.00 0.00 175.22 173.28 1a42 s ASN 67 N -1.00 3.69 -0.20 1.98 0.02 -0.18 -4.25 114.94 115.00 1a42 s ASN 67 Ca 0.14 -0.37 -0.09 0.00 -1.02 0.00 0.00 52.86 51.52 1a42 s ASN 67 Cb -0.11 -0.62 -0.04 0.00 0.02 0.00 0.00 41.25 40.50 1a42 s ASN 67 CO 0.03 0.30 0.10 -0.69 0.02 0.00 0.00 177.10 176.86 1a42 s VAL 68 N -0.79 5.04 0.15 1.60 1.01 -0.16 -1.52 120.40 125.73 1a42 s VAL 68 Ca 0.12 0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.23 1a42 s VAL 68 Cb -0.10 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1a42 s VAL 68 CO 0.02 0.43 0.02 -1.61 0.00 0.00 0.00 175.10 173.97 1a42 s GLU 69 N 0.51 2.53 0.13 2.72 2.02 0.41 -1.71 118.70 125.32 1a42 s GLU 69 Ca 0.05 -0.98 0.09 0.00 0.02 0.00 0.00 54.97 54.14 1a42 s GLU 69 Cb -0.12 -2.46 -0.04 0.00 0.10 0.00 0.00 34.13 31.61 1a42 s GLU 69 CO 0.00 0.49 -0.20 -0.06 0.02 0.00 0.00 175.26 175.51 1a42 s PHE 70 N -1.60 1.84 -0.35 1.61 0.40 -0.07 -1.09 117.98 118.72 1a42 s PHE 70 Ca 0.27 -0.44 -0.29 0.00 -0.60 0.00 0.00 56.93 55.88 1a42 s PHE 70 Cb -0.10 -0.97 -0.01 0.00 0.51 0.00 0.00 43.02 42.46 1a42 s PHE 70 CO 0.19 0.28 1.57 0.34 0.70 0.00 0.00 175.22 178.29 1a42 s ASP 71 N -2.27 6.21 -0.47 1.36 2.15 -0.02 -4.78 116.67 118.85 1a42 s ASP 71 Ca 0.11 1.12 0.03 0.00 0.43 0.00 0.00 52.55 54.25 1a42 s ASP 71 Cb -0.08 -2.53 0.45 0.00 -0.30 0.00 0.00 42.92 40.45 1a42 s ASP 71 CO 0.06 -1.48 1.54 -0.90 -0.17 0.00 0.00 175.17 174.21 1a42 n ASP 72 N 9.20 6.08 0.02 -0.34 5.75 -1.26 -4.64 116.55 131.35 1a42 n ASP 72 Ca 0.19 -3.77 0.12 0.00 -0.01 0.00 0.00 54.79 51.32 1a42 n ASP 72 Cb 0.47 -0.62 0.14 0.00 -1.03 0.00 0.00 41.12 40.08 1a42 n ASP 72 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1a42 n SER 73 N -0.76 0.61 -3.87 -1.12 7.64 -1.26 -4.92 113.62 109.95 1a42 n SER 73 Ca 0.51 -0.20 -0.09 0.00 1.01 0.00 0.00 58.87 60.10 1a42 n SER 73 Cb 0.79 0.44 -0.07 0.00 -1.01 0.00 0.00 64.21 64.36 1a42 n SER 73 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1a42 s GLN 74 N -3.10 0.89 -1.11 1.43 -0.21 -1.26 -5.06 119.66 111.24 1a42 s GLN 74 Ca 0.07 -0.99 -0.23 0.00 0.02 0.00 0.00 55.36 54.24 1a42 s GLN 74 Cb 0.15 0.35 -0.12 0.00 1.00 0.00 0.00 33.01 34.40 1a42 s GLN 74 CO 0.75 -0.29 1.94 -0.25 -2.12 0.00 0.00 175.29 175.32 1a42 n ASP 75 N -0.08 2.83 -0.08 5.90 9.92 -1.26 -4.63 116.55 129.14 1a42 n ASP 75 Ca -0.14 -2.68 -0.08 0.00 -0.53 0.00 0.00 54.79 51.36 1a42 n ASP 75 Cb 0.62 -1.65 -0.03 0.00 -0.64 0.00 0.00 41.12 39.42 1a42 n ASP 75 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1a42 n LYS 76 N 8.12 0.48 -4.00 -1.24 5.02 -1.26 -4.84 118.16 120.43 1a42 n LYS 76 Ca 0.45 0.46 -0.34 0.00 -2.02 0.00 0.00 58.31 56.86 1a42 n LYS 76 Cb 0.46 -1.64 -0.15 0.00 -0.02 0.00 0.00 35.03 33.68 1a42 n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a42 s ALA 77 N -2.73 2.62 0.13 7.82 0.00 -1.26 -4.02 121.76 124.33 1a42 s ALA 77 Ca -0.20 -1.46 0.06 0.00 0.00 0.00 0.00 51.96 50.36 1a42 s ALA 77 Cb 0.03 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 1a42 s ALA 77 CO 0.31 -0.78 -0.13 0.14 0.00 0.00 0.00 175.76 175.30 1a42 s VAL 78 N 1.29 1.34 -0.09 0.00 -7.23 -0.83 -2.20 120.40 112.67 1a42 s VAL 78 Ca -0.00 -1.81 0.03 0.00 -1.81 0.00 0.00 61.98 58.38 1a42 s VAL 78 Cb -0.16 -1.62 -0.01 0.00 0.56 0.00 0.00 36.38 35.14 1a42 s VAL 78 CO -0.06 -0.49 -0.17 -0.22 -0.31 0.00 0.00 175.10 173.85 1a42 s LEU 79 N -2.64 2.50 0.24 1.32 0.20 -0.32 -1.08 118.68 118.89 1a42 s LEU 79 Ca 0.11 -0.37 -0.03 0.00 0.69 0.00 0.00 54.13 54.53 1a42 s LEU 79 Cb -0.03 -1.52 -0.03 0.00 -0.43 0.00 0.00 46.19 44.18 1a42 s LEU 79 CO 0.03 0.22 0.26 -0.54 -0.29 0.00 0.00 176.35 176.03 1a42 s LYS 80 N 0.01 1.41 1.32 1.98 3.01 0.10 -2.19 119.74 125.38 1a42 s LYS 80 Ca -0.06 -1.60 0.00 0.00 -1.01 0.00 0.00 55.97 53.30 1a42 s LYS 80 Cb -0.15 0.34 0.00 0.00 -1.01 0.00 0.00 37.83 37.01 1a42 s LYS 80 CO 0.05 -0.52 0.00 0.41 0.51 0.00 0.00 175.35 175.80 1a42 n GLY 81 N -0.36 -1.52 7.00 -3.33 0.00 -1.26 -0.05 105.19 105.66 1a42 n GLY 81 Ca 0.02 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1a42 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a42 n GLY 82 N 0.00 3.09 0.16 -0.02 0.00 -0.24 -1.33 105.19 106.86 1a42 n GLY 82 Ca 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 46.02 45.70 1a42 n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a42 n PRO 83 N 13.99 1.16 -3.84 1.61 -0.04 -1.26 -3.68 135.00 142.94 1a42 n PRO 83 Ca 0.00 -0.22 -0.32 0.00 -0.04 0.00 0.00 63.50 62.92 1a42 n PRO 83 Cb 0.00 -1.10 -0.04 0.00 -0.04 0.00 0.00 33.50 32.32 1a42 n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1a42 s LEU 84 N -0.92 4.34 -0.13 1.53 1.43 -0.44 -5.07 118.68 119.42 1a42 s LEU 84 Ca 0.04 0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.55 1a42 s LEU 84 Cb 0.02 -2.97 -0.01 0.00 0.03 0.00 0.00 46.19 43.26 1a42 s LEU 84 CO 0.03 0.16 -0.16 -1.81 0.23 0.00 0.00 176.35 174.80 1a42 s ASP 85 N -2.32 3.72 0.00 2.29 1.01 -1.26 -4.36 116.67 115.74 1a42 s ASP 85 Ca 0.35 -0.42 0.00 0.00 0.71 0.00 0.00 52.55 53.19 1a42 s ASP 85 Cb -0.13 -1.56 0.00 0.00 1.01 0.00 0.00 42.92 42.25 1a42 s ASP 85 CO 0.25 0.14 0.00 0.61 0.21 0.00 0.00 175.17 176.37 1a42 n GLY 86 N 3.69 0.35 3.46 0.21 0.00 -1.26 -4.96 105.19 106.68 1a42 n GLY 86 Ca -0.19 -2.03 -0.33 0.00 0.00 0.00 0.00 46.02 43.48 1a42 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a42 s THR 87 N -1.19 3.25 -0.12 2.61 2.01 -1.26 -4.56 115.64 116.38 1a42 s THR 87 Ca 0.00 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 61.40 1a42 s THR 87 Cb 0.00 -2.33 -0.00 0.00 0.01 0.00 0.00 72.50 70.18 1a42 s THR 87 CO 0.00 0.56 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.98 1a42 s TYR 88 N -0.26 2.67 0.03 4.92 1.51 -0.93 -1.76 117.35 123.54 1a42 s TYR 88 Ca 0.02 -0.96 -0.20 0.00 -1.01 0.00 0.00 57.07 54.92 1a42 s TYR 88 Cb -0.13 -1.78 -0.06 0.00 -0.11 0.00 0.00 41.96 39.88 1a42 s TYR 88 CO 0.03 -0.39 0.57 1.03 -1.11 0.00 0.00 175.55 175.68 1a42 s ARG 89 N 0.45 4.24 -0.06 -0.62 0.52 -0.09 -1.17 118.95 122.22 1a42 s ARG 89 Ca -0.14 0.71 -0.30 0.00 -0.52 0.00 0.00 55.73 55.49 1a42 s ARG 89 Cb -0.17 -3.29 -0.04 0.00 0.52 0.00 0.00 34.95 31.98 1a42 s ARG 89 CO 0.06 0.52 1.32 -1.17 0.02 0.00 0.00 175.30 176.04 1a42 s LEU 90 N -0.68 4.27 -0.11 2.53 2.96 -0.93 -1.72 118.68 125.00 1a42 s LEU 90 Ca 0.29 1.93 0.08 0.00 -0.22 0.00 0.00 54.13 56.21 1a42 s LEU 90 Cb -0.19 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 42.83 1a42 s LEU 90 CO 0.18 -0.69 0.01 0.00 -1.32 0.00 0.00 176.35 174.52 1a42 n ILE 91 N 4.85 0.74 -3.70 6.68 3.06 -0.73 -4.46 119.36 125.80 1a42 n ILE 91 Ca 0.13 -0.43 -0.05 0.00 -2.50 0.00 0.00 62.75 59.90 1a42 n ILE 91 Cb 0.45 -0.76 -0.02 0.00 0.54 0.00 0.00 39.64 39.85 1a42 n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1a42 s GLN 92 N -2.26 1.20 0.03 9.51 1.03 -1.24 -0.89 119.66 127.04 1a42 s GLN 92 Ca -0.07 -0.62 0.01 0.00 0.04 0.00 0.00 55.36 54.72 1a42 s GLN 92 Cb 0.03 0.43 -0.02 0.00 0.03 0.00 0.00 33.01 33.49 1a42 s GLN 92 CO 0.42 -0.54 -0.05 -0.59 -2.54 0.00 0.00 175.29 171.98 1a42 s PHE 93 N -3.35 0.46 0.33 9.60 -0.12 -0.69 -1.39 117.98 122.83 1a42 s PHE 93 Ca 0.10 -0.53 -0.05 0.00 -0.05 0.00 0.00 56.93 56.40 1a42 s PHE 93 Cb -0.02 -0.30 0.01 0.00 -0.63 0.00 0.00 43.02 42.08 1a42 s PHE 93 CO -0.00 -0.14 0.50 -3.38 -0.05 0.00 0.00 175.22 172.15 1a42 s HIS 94 N -1.48 0.86 0.10 3.49 -3.43 -0.96 -0.98 115.29 112.89 1a42 s HIS 94 Ca -0.13 -1.16 0.02 0.00 -0.80 0.00 0.00 55.06 52.99 1a42 s HIS 94 Cb -0.10 0.05 -0.04 0.00 -1.43 0.00 0.00 32.58 31.06 1a42 s HIS 94 CO -0.00 -1.15 -0.06 -0.06 -2.00 0.00 0.00 174.74 171.46 1a42 s PHE 95 N -3.14 0.88 -0.03 0.38 0.40 -1.26 -1.11 117.98 114.09 1a42 s PHE 95 Ca 0.28 -0.93 0.03 0.00 -0.60 0.00 0.00 56.93 55.71 1a42 s PHE 95 Cb -0.01 -0.51 -0.00 0.00 0.51 0.00 0.00 43.02 43.01 1a42 s PHE 95 CO 0.17 -0.17 -0.13 -1.01 0.70 0.00 0.00 175.22 174.78 1a42 s HIS 96 N -3.65 1.36 0.17 0.36 3.76 -0.68 -4.75 115.29 111.86 1a42 s HIS 96 Ca 0.12 -0.37 -0.06 0.00 -0.15 0.00 0.00 55.06 54.60 1a42 s HIS 96 Cb 0.06 -0.94 -0.02 0.00 1.11 0.00 0.00 32.58 32.79 1a42 s HIS 96 CO -0.05 -0.13 0.22 1.67 -0.85 0.00 0.00 174.74 175.60 1a42 s TRP 97 N 0.10 0.65 0.54 1.40 -2.14 -1.25 -0.73 118.94 117.51 1a42 s TRP 97 Ca -0.03 -0.99 0.08 0.00 2.66 0.00 0.00 56.10 57.82 1a42 s TRP 97 Cb -0.10 -0.23 0.05 0.00 -3.10 0.00 0.00 33.47 30.10 1a42 s TRP 97 CO 0.01 -0.68 0.61 0.20 -2.66 0.00 0.00 176.95 174.43 1a42 s GLY 98 N -3.03 2.00 0.16 3.67 0.00 -1.12 -0.76 107.32 108.24 1a42 s GLY 98 Ca 0.23 -1.80 0.24 0.00 0.00 0.00 0.00 44.72 43.39 1a42 s GLY 98 CO 0.04 -1.76 1.23 1.48 0.00 0.00 0.00 173.10 174.09 1a42 h SER 99 N 0.48 0.00 -3.45 1.64 4.64 -1.90 -3.38 113.55 111.59 1a42 h SER 99 Ca -0.34 -0.14 -0.44 0.00 -0.47 0.00 0.00 61.79 60.39 1a42 h SER 99 Cb 1.29 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.23 1a42 h SER 99 CO 0.48 0.07 -0.74 -0.76 -0.87 0.00 0.00 176.83 175.01 1a42 s LEU 100 N -4.66 2.52 0.19 5.97 2.01 -1.26 -5.07 118.68 118.37 1a42 s LEU 100 Ca 0.04 -0.97 0.19 0.00 0.01 0.00 0.00 54.13 53.40 1a42 s LEU 100 Cb 0.12 -0.65 0.85 0.00 0.01 0.00 0.00 46.19 46.52 1a42 s LEU 100 CO 0.74 -0.16 1.59 0.47 1.01 0.00 0.00 176.35 180.00 1a42 n ASP 101 N -0.14 0.45 -1.76 2.29 8.00 -1.26 -3.51 116.55 120.63 1a42 n ASP 101 Ca -0.10 0.64 0.07 0.00 0.71 0.00 0.00 54.79 56.11 1a42 n ASP 101 Cb 0.59 -0.72 0.39 0.00 -0.02 0.00 0.00 41.12 41.36 1a42 n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a42 n GLY 102 N -0.40 3.10 3.44 0.44 0.00 -1.26 -3.35 105.19 107.15 1a42 n GLY 102 Ca 0.01 -0.93 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 1a42 n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1a42 s GLN 103 N -2.68 1.28 0.00 1.61 -2.07 -1.23 -4.60 119.66 111.98 1a42 s GLN 103 Ca 0.53 -0.55 0.00 0.00 -1.82 0.00 0.00 55.36 53.52 1a42 s GLN 103 Cb 0.40 0.57 0.00 0.00 -1.09 0.00 0.00 33.01 32.89 1a42 s GLN 103 CO 0.16 -0.56 0.00 0.41 -1.32 0.00 0.00 175.29 173.99 1a42 n GLY 104 N -0.36 3.89 3.79 2.60 0.00 -0.89 -3.36 105.19 110.85 1a42 n GLY 104 Ca -0.16 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 1a42 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a42 s SER 105 N -0.03 5.38 -0.18 1.61 1.04 0.02 -3.80 113.70 117.74 1a42 s SER 105 Ca 0.00 1.90 -0.15 0.00 0.48 0.00 0.00 55.95 58.18 1a42 s SER 105 Cb 0.00 -2.54 -0.10 0.00 0.10 0.00 0.00 66.02 63.48 1a42 s SER 105 CO 0.00 -1.44 -0.08 -0.62 0.98 0.00 0.00 173.24 172.08 1a42 n GLU 106 N -2.33 0.51 -2.24 4.02 1.02 -1.26 -4.78 120.64 115.58 1a42 n GLU 106 Ca 0.09 0.49 -0.38 0.00 -0.02 0.00 0.00 57.16 57.34 1a42 n GLU 106 Cb 0.52 -1.67 -0.01 0.00 -0.02 0.00 0.00 31.44 30.26 1a42 n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1a42 s HIS 107 N -2.38 2.97 0.23 -0.32 3.76 -1.26 -4.44 115.29 113.85 1a42 s HIS 107 Ca -0.23 1.53 0.10 0.00 -0.15 0.00 0.00 55.06 56.31 1a42 s HIS 107 Cb 0.05 -3.43 -0.05 0.00 1.11 0.00 0.00 32.58 30.26 1a42 s HIS 107 CO 0.40 -1.50 -0.19 0.95 -0.85 0.00 0.00 174.74 173.54 1a42 s THR 108 N -1.43 2.19 -0.26 1.30 -4.23 -1.18 -4.74 115.64 107.29 1a42 s THR 108 Ca 0.59 -2.21 -0.01 0.00 -1.18 0.00 0.00 61.69 58.88 1a42 s THR 108 Cb -0.31 -2.13 0.04 0.00 1.34 0.00 0.00 72.50 71.43 1a42 s THR 108 CO 0.39 -0.37 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.36 1a42 s VAL 109 N -2.36 2.80 -1.55 2.29 1.01 -0.49 -1.08 120.40 121.02 1a42 s VAL 109 Ca 0.24 -1.19 -0.13 0.00 0.00 0.00 0.00 61.98 60.90 1a42 s VAL 109 Cb -0.05 -2.49 0.09 0.00 0.00 0.00 0.00 36.38 33.93 1a42 s VAL 109 CO 0.11 0.10 0.87 0.47 0.00 0.00 0.00 175.10 176.65 1a42 n ASP 110 N 4.63 -3.83 0.00 3.32 8.00 0.20 -0.60 116.55 128.26 1a42 n ASP 110 Ca -0.15 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.49 1a42 n ASP 110 Cb 0.45 -3.55 0.00 0.00 -0.02 0.00 0.00 41.12 38.01 1a42 n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1a42 n LYS 111 N -4.56 -0.53 -2.74 -1.24 4.76 -1.26 -4.98 118.16 107.61 1a42 n LYS 111 Ca 0.00 0.13 -0.42 0.00 -2.87 0.00 0.00 58.31 55.15 1a42 n LYS 111 Cb 0.54 -3.69 -0.03 0.00 -1.84 0.00 0.00 35.03 30.01 1a42 n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1a42 s LYS 112 N -0.71 4.48 -0.06 1.97 2.20 0.23 -5.02 119.74 122.82 1a42 s LYS 112 Ca 0.00 1.33 -0.04 0.00 -0.36 0.00 0.00 55.97 56.91 1a42 s LYS 112 Cb 0.00 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 1a42 s LYS 112 CO 0.00 -0.16 0.12 0.15 -0.36 0.00 0.00 175.35 175.10 1a42 s LYS 113 N 1.45 3.29 0.47 4.03 1.02 -1.26 -1.40 119.74 127.34 1a42 s LYS 113 Ca 0.48 -0.30 0.08 0.00 0.02 0.00 0.00 55.97 56.25 1a42 s LYS 113 Cb -0.19 -3.03 0.02 0.00 -0.52 0.00 0.00 37.83 34.11 1a42 s LYS 113 CO 0.22 0.71 0.57 0.71 -0.92 0.00 0.00 175.35 176.64 1a42 s TYR 114 N -1.13 2.37 0.23 3.18 2.02 -1.26 -4.54 117.35 118.20 1a42 s TYR 114 Ca 0.20 -0.53 0.21 0.00 -0.37 0.00 0.00 57.07 56.58 1a42 s TYR 114 Cb -0.12 -2.26 0.90 0.00 -0.40 0.00 0.00 41.96 40.08 1a42 s TYR 114 CO 0.10 -0.53 1.83 0.00 -1.57 0.00 0.00 175.55 175.39 1a42 h ALA 115 N 0.63 1.09 -2.51 3.71 0.00 -1.49 0.23 119.26 120.93 1a42 h ALA 115 Ca -0.38 -0.26 0.15 0.00 0.00 0.00 0.00 54.91 54.43 1a42 h ALA 115 Cb 1.28 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1a42 h ALA 115 CO 0.48 0.35 0.52 0.00 0.00 0.00 0.00 179.25 180.60 1a42 s ALA 116 N -3.79 -1.53 -0.21 0.00 0.00 -1.23 -2.79 121.76 112.21 1a42 s ALA 116 Ca -0.01 -0.21 -0.12 0.00 0.00 0.00 0.00 51.96 51.62 1a42 s ALA 116 Cb 0.11 0.71 0.07 0.00 0.00 0.00 0.00 23.12 24.01 1a42 s ALA 116 CO 0.66 -1.05 0.51 -2.00 0.00 0.00 0.00 175.76 173.87 1a42 s GLU 117 N -2.57 0.50 -0.08 0.00 2.12 0.09 -2.21 118.70 116.55 1a42 s GLU 117 Ca 0.18 0.94 -0.19 0.00 0.36 0.00 0.00 54.97 56.26 1a42 s GLU 117 Cb -0.02 0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.36 1a42 s GLU 117 CO 0.05 -0.15 0.54 -1.17 -0.54 0.00 0.00 175.26 173.98 1a42 s LEU 118 N 1.48 4.32 -0.23 2.70 2.96 0.26 -1.69 118.68 128.48 1a42 s LEU 118 Ca -0.10 0.95 0.00 0.00 -0.22 0.00 0.00 54.13 54.77 1a42 s LEU 118 Cb -0.07 -2.80 0.03 0.00 0.50 0.00 0.00 46.19 43.85 1a42 s LEU 118 CO -0.15 0.02 -0.11 -1.00 -1.32 0.00 0.00 176.35 173.78 1a42 s HIS 119 N 0.41 3.03 -0.46 5.38 3.76 -0.27 -0.79 115.29 126.35 1a42 s HIS 119 Ca 0.29 -1.75 -0.14 0.00 -0.15 0.00 0.00 55.06 53.31 1a42 s HIS 119 Cb -0.16 -1.99 0.08 0.00 1.11 0.00 0.00 32.58 31.62 1a42 s HIS 119 CO 0.13 -0.78 0.37 -0.51 -0.85 0.00 0.00 174.74 173.09 1a42 s LEU 120 N 1.27 5.54 0.04 0.89 1.02 -0.45 -2.25 118.68 124.74 1a42 s LEU 120 Ca -0.01 -1.43 -0.26 0.00 0.02 0.00 0.00 54.13 52.45 1a42 s LEU 120 Cb -0.16 -2.13 -0.05 0.00 0.02 0.00 0.00 46.19 43.87 1a42 s LEU 120 CO -0.07 -0.64 0.82 -0.69 0.02 0.00 0.00 176.35 175.80 1a42 s VAL 121 N 1.57 4.74 0.05 -1.59 1.01 -0.48 -1.71 120.40 123.98 1a42 s VAL 121 Ca 0.04 1.75 0.03 0.00 0.00 0.00 0.00 61.98 63.79 1a42 s VAL 121 Cb -0.24 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 31.94 1a42 s VAL 121 CO 0.05 0.32 -0.10 -1.00 0.00 0.00 0.00 175.10 174.37 1a42 s HIS 122 N 0.18 0.84 0.09 5.22 3.76 -0.46 -1.77 115.29 123.15 1a42 s HIS 122 Ca 0.42 -0.45 0.09 0.00 -0.15 0.00 0.00 55.06 54.97 1a42 s HIS 122 Cb -0.21 -0.49 -0.03 0.00 1.11 0.00 0.00 32.58 32.96 1a42 s HIS 122 CO 0.24 -0.03 -0.23 1.67 -0.85 0.00 0.00 174.74 175.54 1a42 s TRP 123 N -1.21 1.97 -0.31 1.40 1.48 -0.70 -1.12 118.94 120.44 1a42 s TRP 123 Ca -0.06 -0.40 -0.29 0.00 -1.06 0.00 0.00 56.10 54.29 1a42 s TRP 123 Cb -0.09 -1.11 0.01 0.00 -1.16 0.00 0.00 33.47 31.12 1a42 s TRP 123 CO 0.01 0.20 1.18 1.21 -4.06 0.00 0.00 176.95 175.48 1a42 s ASN 124 N -1.68 6.81 0.56 -2.66 3.84 0.33 -0.91 114.94 121.23 1a42 s ASN 124 Ca 0.09 1.11 0.32 0.00 0.21 0.00 0.00 52.86 54.59 1a42 s ASN 124 Cb -0.10 -2.54 1.61 0.00 -0.55 0.00 0.00 41.25 39.67 1a42 s ASN 124 CO 0.04 -0.98 2.10 0.71 -2.79 0.00 0.00 177.10 176.18 1a42 h THR 125 N 5.84 0.31 -0.26 -5.21 1.35 -1.69 -0.87 112.91 112.38 1a42 h THR 125 Ca -0.23 -0.45 0.08 0.00 -0.55 0.00 0.00 66.41 65.25 1a42 h THR 125 Cb 1.08 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.82 1a42 h THR 125 CO 1.04 0.07 0.30 0.50 -0.25 0.00 0.00 175.52 177.17 1a42 h LYS 127 N 0.00 0.00 -0.24 4.72 3.64 -1.91 -0.18 116.57 122.60 1a42 h LYS 127 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1a42 h LYS 127 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1a42 h LYS 127 CO 0.01 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.85 1a42 n TYR 128 N -3.74 0.32 0.00 1.91 4.01 -0.33 -4.98 117.16 114.35 1a42 n TYR 128 Ca 0.04 -0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 1a42 n TYR 128 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 1a42 n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a42 n GLY 129 N 1.16 1.97 3.29 2.72 0.00 -0.08 -4.50 105.19 109.75 1a42 n GLY 129 Ca 0.16 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 1a42 n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1a42 s ASP 130 N 0.00 -0.01 0.26 1.61 1.47 -1.26 -5.03 116.67 113.71 1a42 s ASP 130 Ca 0.00 -0.62 -0.03 0.00 1.18 0.00 0.00 52.55 53.07 1a42 s ASP 130 Cb 0.00 0.41 0.53 0.00 -0.34 0.00 0.00 42.92 43.52 1a42 s ASP 130 CO 0.00 -0.82 1.67 0.15 0.68 0.00 0.00 175.17 176.85 1a42 h PHE 131 N 2.57 0.25 0.00 2.11 3.57 -1.92 -1.31 116.94 122.22 1a42 h PHE 131 Ca -0.33 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.19 1a42 h PHE 131 Cb 1.22 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.97 1a42 h PHE 131 CO 0.39 -0.14 -0.11 0.78 -2.23 0.00 0.00 178.31 177.00 1a42 h GLY 132 N 0.23 0.00 0.88 2.40 0.00 -1.96 -1.09 103.07 103.53 1a42 h GLY 132 Ca 0.45 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.48 1a42 h GLY 132 CO -0.57 0.00 -1.47 0.50 0.00 0.00 0.00 176.54 175.00 1a42 h LYS 133 N 0.00 0.38 -0.59 4.80 1.79 -1.54 -3.36 116.57 118.06 1a42 h LYS 133 Ca -0.00 -0.66 0.17 0.00 -2.18 0.00 0.00 60.65 57.98 1a42 h LYS 133 Cb 0.44 0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 31.31 1a42 h LYS 133 CO 0.01 1.31 0.44 0.00 -1.08 0.00 0.00 179.45 180.14 1a42 h ALA 134 N 0.08 2.51 -0.12 3.86 0.00 -0.24 0.49 119.26 125.84 1a42 h ALA 134 Ca -0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1a42 h ALA 134 Cb 1.97 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1a42 h ALA 134 CO 0.17 -0.74 0.00 1.33 0.00 0.00 0.00 179.25 180.01 1a42 n VAL 135 N -4.25 0.29 -0.18 0.00 0.24 -0.90 -1.77 118.33 111.76 1a42 n VAL 135 Ca 0.11 -0.20 0.03 0.00 -2.04 0.00 0.00 64.34 62.24 1a42 n VAL 135 Cb 0.68 -0.11 0.09 0.00 -1.47 0.00 0.00 33.84 33.03 1a42 n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1a42 n GLN 136 N -0.04 2.86 -5.19 7.34 6.02 0.16 -4.99 117.38 123.55 1a42 n GLN 136 Ca 0.05 -1.87 -0.30 0.00 -0.01 0.00 0.00 57.00 54.87 1a42 n GLN 136 Cb 0.22 -1.19 -0.16 0.00 1.02 0.00 0.00 30.24 30.13 1a42 n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1a42 s GLN 137 N -1.18 1.95 0.56 -1.09 -1.52 -0.73 -5.01 119.66 112.64 1a42 s GLN 137 Ca 0.14 -0.87 0.29 0.00 -1.95 0.00 0.00 55.36 52.98 1a42 s GLN 137 Cb 0.09 -1.89 1.46 0.00 -0.22 0.00 0.00 33.01 32.45 1a42 s GLN 137 CO 0.08 0.52 1.92 -1.00 -0.25 0.00 0.00 175.29 176.56 1a42 h PRO 138 N 5.52 0.00 -0.04 2.91 0.13 -1.86 0.34 132.00 139.01 1a42 h PRO 138 Ca -0.42 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.64 1a42 h PRO 138 Cb 1.13 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.14 1a42 h PRO 138 CO 0.47 0.00 -0.66 -0.40 -0.23 0.00 0.00 178.00 177.18 1a42 n ASP 139 N -4.05 1.65 0.12 1.44 5.75 -1.26 -4.23 116.55 115.98 1a42 n ASP 139 Ca 0.12 -3.39 -0.01 0.00 -0.01 0.00 0.00 54.79 51.50 1a42 n ASP 139 Cb 0.74 -0.46 0.23 0.00 -1.03 0.00 0.00 41.12 40.60 1a42 n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1a42 h GLY 140 N 1.07 0.15 -3.75 6.12 0.00 -0.69 -3.43 103.07 102.55 1a42 h GLY 140 Ca -0.05 -0.15 -0.38 0.00 0.00 0.00 0.00 47.33 46.75 1a42 h GLY 140 CO 0.06 0.14 -0.75 1.08 0.00 0.00 0.00 176.54 177.06 1a42 s LEU 141 N -8.08 2.39 -0.08 3.11 1.43 -0.49 -0.51 118.68 116.45 1a42 s LEU 141 Ca -0.03 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.28 1a42 s LEU 141 Cb 0.13 -0.46 0.02 0.00 0.03 0.00 0.00 46.19 45.91 1a42 s LEU 141 CO 0.76 -0.18 -0.06 0.00 0.23 0.00 0.00 176.35 177.11 1a42 s ALA 142 N -2.13 1.05 -0.13 4.21 0.00 -0.27 -1.29 121.76 123.19 1a42 s ALA 142 Ca 0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 51.96 51.68 1a42 s ALA 142 Cb -0.05 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.34 1a42 s ALA 142 CO 0.02 -0.25 -0.10 0.08 0.00 0.00 0.00 175.76 175.51 1a42 s VAL 143 N 1.42 3.36 -0.23 0.00 1.01 -0.95 -1.35 120.40 123.65 1a42 s VAL 143 Ca -0.02 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.24 1a42 s VAL 143 Cb -0.13 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1a42 s VAL 143 CO -0.04 0.52 0.42 -0.22 0.00 0.00 0.00 175.10 175.79 1a42 s LEU 144 N 0.22 4.11 -0.10 3.92 0.20 -0.69 -1.77 118.68 124.58 1a42 s LEU 144 Ca -0.06 0.47 0.01 0.00 0.69 0.00 0.00 54.13 55.24 1a42 s LEU 144 Cb -0.15 -2.53 -0.02 0.00 -0.43 0.00 0.00 46.19 43.06 1a42 s LEU 144 CO 0.04 -0.15 -0.11 -0.83 -0.29 0.00 0.00 176.35 175.01 1a42 s GLY 145 N 1.28 1.58 -0.05 7.98 0.00 0.45 -1.34 107.32 117.22 1a42 s GLY 145 Ca 0.19 -0.91 -0.01 0.00 0.00 0.00 0.00 44.72 43.99 1a42 s GLY 145 CO 0.09 -0.45 0.01 -0.42 0.00 0.00 0.00 173.10 172.33 1a42 s ILE 146 N -0.21 0.20 0.45 0.90 1.01 0.03 -1.88 121.20 121.69 1a42 s ILE 146 Ca 0.01 0.16 -0.22 0.00 0.00 0.00 0.00 60.65 60.60 1a42 s ILE 146 Cb -0.13 -0.35 -0.09 0.00 0.01 0.00 0.00 42.46 41.91 1a42 s ILE 146 CO 0.03 0.19 1.04 -0.36 0.00 0.00 0.00 174.94 175.84 1a42 s PHE 147 N 1.55 3.12 -0.08 3.97 0.08 -1.26 -0.58 117.98 124.79 1a42 s PHE 147 Ca -0.02 1.61 0.02 0.00 0.12 0.00 0.00 56.93 58.66 1a42 s PHE 147 Cb -0.13 -3.09 0.01 0.00 -0.57 0.00 0.00 43.02 39.25 1a42 s PHE 147 CO -0.03 -0.72 -0.14 -0.51 -0.10 0.00 0.00 175.22 173.71 1a42 s LEU 148 N -3.11 1.72 0.08 -0.37 1.02 -0.94 -1.51 118.68 115.57 1a42 s LEU 148 Ca 0.63 -0.36 0.06 0.00 0.02 0.00 0.00 54.13 54.48 1a42 s LEU 148 Cb -0.19 -0.96 -0.04 0.00 0.02 0.00 0.00 46.19 45.03 1a42 s LEU 148 CO 0.23 0.05 -0.09 -1.59 0.02 0.00 0.00 176.35 174.97 1a42 s LYS 149 N 0.67 2.23 0.04 1.70 -2.85 0.23 -2.47 119.74 119.29 1a42 s LYS 149 Ca -0.14 -0.96 -0.30 0.00 -1.00 0.00 0.00 55.97 53.57 1a42 s LYS 149 Cb -0.16 -2.35 -0.05 0.00 -2.06 0.00 0.00 37.83 33.21 1a42 s LYS 149 CO 0.04 0.53 1.19 0.08 0.10 0.00 0.00 175.35 177.28 1a42 s VAL 150 N -1.17 4.12 0.00 1.79 1.01 -1.26 -0.92 120.40 123.98 1a42 s VAL 150 Ca 0.21 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.70 1a42 s VAL 150 Cb -0.11 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1a42 s VAL 150 CO 0.13 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1a42 n GLY 151 N 3.23 0.73 3.85 4.51 0.00 0.44 -4.86 105.19 113.08 1a42 n GLY 151 Ca 0.09 0.45 -0.31 0.00 0.00 0.00 0.00 46.02 46.25 1a42 n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a42 s SER 152 N 2.00 5.84 0.31 1.61 0.01 -1.26 -3.99 113.70 118.21 1a42 s SER 152 Ca 0.00 1.48 -0.28 0.00 1.31 0.00 0.00 55.95 58.46 1a42 s SER 152 Cb 0.00 -2.45 -0.09 0.00 0.21 0.00 0.00 66.02 63.69 1a42 s SER 152 CO 0.00 -1.13 1.11 0.00 0.41 0.00 0.00 173.24 173.63 1a42 s ALA 153 N -3.13 3.35 -0.39 1.44 0.00 -1.26 -2.63 121.76 119.14 1a42 s ALA 153 Ca 0.56 0.91 -0.18 0.00 0.00 0.00 0.00 51.96 53.25 1a42 s ALA 153 Cb -0.12 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.67 1a42 s ALA 153 CO 0.54 -0.23 0.50 0.21 0.00 0.00 0.00 175.76 176.78 1a42 s LYS 154 N -1.67 3.36 0.18 0.00 2.36 -1.23 -4.83 119.74 117.91 1a42 s LYS 154 Ca 0.47 -0.44 -0.19 0.00 -2.55 0.00 0.00 55.97 53.26 1a42 s LYS 154 Cb -0.31 -3.89 0.11 0.00 -1.05 0.00 0.00 37.83 32.69 1a42 s LYS 154 CO 0.40 -0.78 1.63 -1.35 1.55 0.00 0.00 175.35 176.80 1a42 h PRO 155 N 8.64 -0.13 0.00 4.03 0.11 -1.92 -0.76 132.00 141.97 1a42 h PRO 155 Ca -0.27 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1a42 h PRO 155 Cb 1.12 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1a42 h PRO 155 CO 0.80 -0.09 0.00 0.41 -0.21 0.00 0.00 178.00 178.91 1a42 n GLY 156 N -1.39 -0.82 0.15 -0.55 0.00 -1.26 -1.49 105.19 99.82 1a42 n GLY 156 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.14 1a42 n GLY 156 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a42 h LEU 157 N 0.00 0.00 -1.16 0.99 5.85 -1.38 -3.38 115.31 116.23 1a42 h LEU 157 Ca 0.00 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1a42 h LEU 157 Cb 0.14 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1a42 h LEU 157 CO 0.00 0.12 0.57 -0.61 -0.34 0.00 0.00 178.44 178.18 1a42 h GLN 158 N 0.00 1.11 -0.59 1.25 5.75 -1.31 0.76 115.11 122.08 1a42 h GLN 158 Ca -0.02 -0.07 0.10 0.00 -0.15 0.00 0.00 58.65 58.51 1a42 h GLN 158 Cb 1.11 -0.25 -0.04 0.00 1.07 0.00 0.00 27.48 29.38 1a42 h GLN 158 CO 0.01 0.73 0.40 -0.22 -2.65 0.00 0.00 178.83 177.10 1a42 h LYS 159 N 1.14 0.38 0.19 1.69 3.64 -1.75 0.38 116.57 122.24 1a42 h LYS 159 Ca 0.33 -0.02 -0.31 0.00 -1.27 0.00 0.00 60.65 59.37 1a42 h LYS 159 Cb -0.08 -0.09 0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1a42 h LYS 159 CO -0.08 0.25 -1.36 0.28 -2.27 0.00 0.00 179.45 176.27 1a42 h VAL 160 N 0.39 1.37 -0.56 2.00 2.07 -1.12 -3.26 116.25 117.14 1a42 h VAL 160 Ca 0.27 -2.81 -0.04 0.00 0.82 0.00 0.00 66.70 64.94 1a42 h VAL 160 Cb 0.55 2.96 -0.03 0.00 -1.52 0.00 0.00 31.29 33.25 1a42 h VAL 160 CO -0.07 0.83 0.17 0.58 0.02 0.00 0.00 177.57 179.10 1a42 h VAL 161 N 0.13 1.22 -0.63 2.57 2.07 -0.34 -2.90 116.25 118.37 1a42 h VAL 161 Ca -0.20 -0.74 -0.06 0.00 0.82 0.00 0.00 66.70 66.52 1a42 h VAL 161 Cb 2.06 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 1a42 h VAL 161 CO 0.24 0.28 0.16 0.44 0.02 0.00 0.00 177.57 178.72 1a42 h ASP 162 N 0.81 0.95 0.69 0.57 3.32 -1.12 -2.96 116.42 118.68 1a42 h ASP 162 Ca 0.18 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1a42 h ASP 162 Cb 0.24 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1a42 h ASP 162 CO -0.01 0.93 0.00 0.55 -1.72 0.00 0.00 179.24 178.99 1a42 n VAL 163 N -4.33 0.45 0.31 -1.35 3.14 -1.10 -3.80 118.33 111.65 1a42 n VAL 163 Ca 0.04 0.11 0.19 0.00 -2.96 0.00 0.00 64.34 61.72 1a42 n VAL 163 Cb 0.24 -0.73 1.01 0.00 -1.06 0.00 0.00 33.84 33.30 1a42 n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1a42 h LEU 164 N 0.00 0.00 -1.35 6.55 3.38 -1.54 0.68 115.31 123.02 1a42 h LEU 164 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1a42 h LEU 164 Cb 0.35 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1a42 h LEU 164 CO 0.00 0.02 0.46 0.44 0.09 0.00 0.00 178.44 179.45 1a42 h ASP 165 N 0.00 0.72 1.21 -0.43 3.32 -1.81 -0.99 116.42 118.44 1a42 h ASP 165 Ca -0.00 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1a42 h ASP 165 Cb 0.11 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1a42 h ASP 165 CO 0.00 0.50 -0.11 0.28 -1.72 0.00 0.00 179.24 178.19 1a42 h SER 166 N 0.84 0.00 -0.77 6.45 0.02 -1.15 -3.31 113.55 115.63 1a42 h SER 166 Ca 0.28 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.79 1a42 h SER 166 Cb 0.07 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 62.19 1a42 h SER 166 CO -0.08 0.11 -0.93 2.30 -1.14 0.00 0.00 176.83 177.09 1a42 n ILE 167 N -3.20 2.00 0.19 3.27 -5.35 -0.39 -4.71 119.36 111.16 1a42 n ILE 167 Ca 0.01 -3.82 0.05 0.00 -0.27 0.00 0.00 62.75 58.72 1a42 n ILE 167 Cb 0.42 -0.26 0.50 0.00 -1.74 0.00 0.00 39.64 38.56 1a42 n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1a42 h LYS 168 N 2.43 0.10 -5.71 6.28 3.64 -1.60 -3.41 116.57 118.30 1a42 h LYS 168 Ca 0.17 -0.02 -0.57 0.00 -1.27 0.00 0.00 60.65 58.96 1a42 h LYS 168 Cb 1.35 -0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 33.01 1a42 h LYS 168 CO 0.57 0.20 -0.66 0.95 -2.27 0.00 0.00 179.45 178.24 1a42 s THR 169 N -4.85 1.94 0.09 1.00 -4.23 -1.26 -0.42 115.64 107.91 1a42 s THR 169 Ca -0.05 -2.14 -0.31 0.00 -1.18 0.00 0.00 61.69 58.02 1a42 s THR 169 Cb 0.16 -2.63 -0.10 0.00 1.34 0.00 0.00 72.50 71.27 1a42 s THR 169 CO 0.70 -0.20 1.85 -0.75 -0.54 0.00 0.00 174.62 175.68 1a42 s LYS 170 N -3.68 4.14 0.00 3.99 2.20 0.30 -2.47 119.74 124.22 1a42 s LYS 170 Ca 0.32 2.57 0.00 0.00 -0.36 0.00 0.00 55.97 58.50 1a42 s LYS 170 Cb 0.04 -3.77 0.00 0.00 -1.51 0.00 0.00 37.83 32.59 1a42 s LYS 170 CO 0.15 -0.87 0.00 0.41 -0.36 0.00 0.00 175.35 174.68 1a42 n GLY 171 N 4.30 0.39 3.83 5.54 0.00 6.33 -4.47 105.19 121.10 1a42 n GLY 171 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1a42 n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a42 s LYS 172 N -0.77 4.13 0.02 1.61 1.02 -1.03 -4.93 119.74 119.79 1a42 s LYS 172 Ca 0.00 0.78 0.01 0.00 0.02 0.00 0.00 55.97 56.78 1a42 s LYS 172 Cb 0.00 -2.62 -0.02 0.00 -0.52 0.00 0.00 37.83 34.68 1a42 s LYS 172 CO 0.00 0.25 -0.05 -1.54 -0.92 0.00 0.00 175.35 173.09 1a42 s SER 173 N -2.00 0.49 0.14 2.83 1.04 -1.26 -1.16 113.70 113.79 1a42 s SER 173 Ca 0.50 -0.39 0.06 0.00 0.48 0.00 0.00 55.95 56.59 1a42 s SER 173 Cb -0.13 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 1a42 s SER 173 CO 0.19 -0.17 -0.13 0.00 0.98 0.00 0.00 173.24 174.10 1a42 s ALA 174 N -1.04 1.56 0.60 5.32 0.00 0.06 -4.93 121.76 123.32 1a42 s ALA 174 Ca -0.09 -1.38 -0.17 0.00 0.00 0.00 0.00 51.96 50.33 1a42 s ALA 174 Cb -0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 1a42 s ALA 174 CO -0.00 0.06 1.10 -0.51 0.00 0.00 0.00 175.76 176.41 1a42 s ASP 175 N -2.69 5.53 -0.48 0.00 1.01 -1.26 -1.34 116.67 117.44 1a42 s ASP 175 Ca 0.12 2.00 0.06 0.00 0.71 0.00 0.00 52.55 55.44 1a42 s ASP 175 Cb -0.03 -2.56 0.26 0.00 1.01 0.00 0.00 42.92 41.60 1a42 s ASP 175 CO 0.03 -1.35 0.92 0.33 0.21 0.00 0.00 175.17 175.32 1a42 n PHE 176 N -1.92 -3.12 -2.69 4.23 7.35 0.73 -4.65 117.46 117.39 1a42 n PHE 176 Ca 0.10 -1.91 -0.29 0.00 -0.76 0.00 0.00 57.45 54.59 1a42 n PHE 176 Cb 0.52 1.50 -0.01 0.00 0.35 0.00 0.00 39.48 41.83 1a42 n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1a42 s THR 177 N 0.52 4.84 -1.31 -2.13 -4.23 -1.24 -3.18 115.64 108.90 1a42 s THR 177 Ca 0.30 0.44 0.00 0.00 -1.18 0.00 0.00 61.69 61.25 1a42 s THR 177 Cb 0.24 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 70.28 1a42 s THR 177 CO -0.20 -0.71 0.00 0.59 -0.54 0.00 0.00 174.62 173.75 1a42 n ASN 178 N -1.84 -4.43 -4.73 3.99 4.13 -1.25 -4.94 115.26 106.19 1a42 n ASN 178 Ca 0.02 0.19 -0.40 0.00 1.68 0.00 0.00 54.58 56.07 1a42 n ASN 178 Cb 0.54 -3.31 -0.05 0.00 -1.54 0.00 0.00 39.78 35.43 1a42 n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1a42 s PHE 179 N -2.57 3.65 -0.48 3.10 5.36 -1.26 -4.99 117.98 120.80 1a42 s PHE 179 Ca 0.00 1.41 -0.17 0.00 -0.96 0.00 0.00 56.93 57.21 1a42 s PHE 179 Cb 0.00 -2.86 0.06 0.00 -0.34 0.00 0.00 43.02 39.87 1a42 s PHE 179 CO 0.00 0.15 0.50 0.34 -1.46 0.00 0.00 175.22 174.74 1a42 s ASP 180 N 0.49 6.19 0.28 6.13 2.15 -1.26 -4.49 116.67 126.16 1a42 s ASP 180 Ca 0.40 -1.02 0.24 0.00 0.43 0.00 0.00 52.55 52.61 1a42 s ASP 180 Cb -0.19 -2.24 1.02 0.00 -0.30 0.00 0.00 42.92 41.21 1a42 s ASP 180 CO 0.22 -0.73 1.73 1.55 -0.17 0.00 0.00 175.17 177.77 1a42 h PRO 181 N 8.85 0.00 -0.15 4.34 0.13 -1.94 -2.48 132.00 140.75 1a42 h PRO 181 Ca -0.28 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.90 1a42 h PRO 181 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1a42 h PRO 181 CO 0.89 0.00 0.27 0.00 -0.23 0.00 0.00 178.00 178.93 1a42 h ARG 182 N 0.00 0.00 0.00 0.86 3.08 -1.92 -0.64 114.38 115.76 1a42 h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1a42 h ARG 182 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1a42 h ARG 182 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1a42 n GLY 183 N -1.32 -0.79 0.61 0.04 0.00 -0.93 -2.64 105.19 100.15 1a42 n GLY 183 Ca 0.01 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 45.95 1a42 n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a42 n LEU 184 N -1.02 2.32 -4.86 0.99 4.77 -0.25 -4.26 117.00 114.69 1a42 n LEU 184 Ca 0.18 -1.09 -0.34 0.00 -0.03 0.00 0.00 56.01 54.73 1a42 n LEU 184 Cb 0.09 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 1a42 n LEU 184 CO 0.14 0.44 0.22 -0.76 -1.33 0.00 0.00 177.39 176.10 1a42 s LEU 185 N -1.20 4.26 0.00 2.23 1.43 -1.08 -4.92 118.68 119.39 1a42 s LEU 185 Ca 0.18 0.99 -0.19 0.00 -1.03 0.00 0.00 54.13 54.09 1a42 s LEU 185 Cb 0.13 -3.45 0.27 0.00 0.03 0.00 0.00 46.19 43.16 1a42 s LEU 185 CO 0.19 0.02 1.12 -0.81 0.23 0.00 0.00 176.35 177.10 1a42 n PRO 186 N 0.36 -2.47 -0.03 1.29 -0.04 -1.26 -5.01 135.00 127.85 1a42 n PRO 186 Ca -0.03 -1.78 -0.16 0.00 -0.04 0.00 0.00 63.50 61.50 1a42 n PRO 186 Cb 0.52 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 1a42 n PRO 186 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1a42 h GLU 187 N 0.00 0.45 -5.89 0.54 4.81 -1.92 -3.45 114.58 109.13 1a42 h GLU 187 Ca -0.40 -0.36 -0.62 0.00 -0.13 0.00 0.00 59.36 57.85 1a42 h GLU 187 Cb 1.18 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.58 1a42 h GLU 187 CO 0.27 1.00 -0.27 0.45 -0.73 0.00 0.00 179.01 179.73 1a42 s SER 188 N -6.56 6.69 -0.25 1.04 0.15 -1.26 -5.00 113.70 108.51 1a42 s SER 188 Ca -0.13 0.82 0.13 0.00 0.70 0.00 0.00 55.95 57.47 1a42 s SER 188 Cb 0.05 -2.21 0.67 0.00 -1.71 0.00 0.00 66.02 62.82 1a42 s SER 188 CO 0.81 0.32 1.63 0.18 1.20 0.00 0.00 173.24 177.38 1a42 n LEU 189 N 2.03 5.08 -4.77 3.45 4.77 -1.26 -4.65 117.00 121.66 1a42 n LEU 189 Ca -0.15 -3.13 -0.38 0.00 -0.03 0.00 0.00 56.01 52.32 1a42 n LEU 189 Cb 0.53 -0.65 -0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1a42 n LEU 189 CO 0.36 0.76 0.89 -1.81 -1.33 0.00 0.00 177.39 176.26 1a42 s ASP 190 N -1.42 6.10 0.27 -1.43 1.01 -1.26 -4.72 116.67 115.22 1a42 s ASP 190 Ca 0.50 2.48 -0.08 0.00 0.71 0.00 0.00 52.55 56.15 1a42 s ASP 190 Cb 0.40 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.70 1a42 s ASP 190 CO 0.11 -0.98 0.44 -0.72 0.21 0.00 0.00 175.17 174.23 1a42 s TYR 191 N -1.41 0.67 0.11 4.23 1.13 -1.26 -0.94 117.35 119.87 1a42 s TYR 191 Ca 0.62 -0.98 0.09 0.00 -1.41 0.00 0.00 57.07 55.39 1a42 s TYR 191 Cb -0.33 0.03 -0.04 0.00 -1.10 0.00 0.00 41.96 40.52 1a42 s TYR 191 CO 0.41 -1.00 -0.19 -1.58 -2.51 0.00 0.00 175.55 170.68 1a42 s TRP 192 N -3.70 2.52 -0.01 -3.49 0.51 -0.65 -1.32 118.94 112.79 1a42 s TRP 192 Ca 0.27 -0.27 -0.02 0.00 -2.12 0.00 0.00 56.10 53.95 1a42 s TRP 192 Cb 0.00 -1.36 -0.00 0.00 -0.81 0.00 0.00 33.47 31.30 1a42 s TRP 192 CO 0.13 0.36 0.04 -0.08 -0.51 0.00 0.00 176.95 176.89 1a42 s THR 193 N -1.10 0.04 0.18 2.01 -1.32 -0.26 -1.47 115.64 113.73 1a42 s THR 193 Ca 0.17 -0.37 -0.20 0.00 -1.21 0.00 0.00 61.69 60.08 1a42 s THR 193 Cb -0.10 -0.19 0.05 0.00 -1.51 0.00 0.00 72.50 70.74 1a42 s THR 193 CO 0.09 -0.20 0.57 -0.72 -2.21 0.00 0.00 174.62 172.14 1a42 s TYR 194 N -0.62 -0.32 -0.04 9.09 1.13 -1.03 -1.56 117.35 123.99 1a42 s TYR 194 Ca -0.07 0.02 -0.17 0.00 -1.41 0.00 0.00 57.07 55.44 1a42 s TYR 194 Cb -0.04 0.49 -0.05 0.00 -1.10 0.00 0.00 41.96 41.25 1a42 s TYR 194 CO -0.00 -0.90 0.48 -1.25 -2.51 0.00 0.00 175.55 171.37 1a42 s PRO 195 N -3.82 4.19 0.00 -3.49 0.04 -1.26 -1.44 135.00 129.22 1a42 s PRO 195 Ca 0.05 0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.60 1a42 s PRO 195 Cb -0.01 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1a42 s PRO 195 CO -0.07 0.42 0.00 0.41 0.04 0.00 0.00 177.00 177.80 1a42 n GLY 196 N 2.50 3.83 3.47 0.56 0.00 -0.04 -4.84 105.19 110.67 1a42 n GLY 196 Ca -0.10 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 44.96 1a42 n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a42 s SER 197 N 1.74 2.44 0.50 1.61 1.04 -0.83 -1.98 113.70 118.22 1a42 s SER 197 Ca 0.00 -1.54 -0.23 0.00 0.48 0.00 0.00 55.95 54.66 1a42 s SER 197 Cb 0.00 0.27 -0.06 0.00 0.10 0.00 0.00 66.02 66.33 1a42 s SER 197 CO 0.00 -0.80 1.32 -0.76 0.98 0.00 0.00 173.24 173.97 1a42 s LEU 198 N -3.53 3.96 0.00 2.42 1.43 -0.74 -4.41 118.68 117.81 1a42 s LEU 198 Ca 0.30 2.67 0.25 0.00 -1.03 0.00 0.00 54.13 56.31 1a42 s LEU 198 Cb 0.05 -4.19 0.41 0.00 0.03 0.00 0.00 46.19 42.49 1a42 s LEU 198 CO 0.15 -1.30 1.35 0.35 0.23 0.00 0.00 176.35 177.13 1a42 n THR 199 N -0.69 0.00 -4.19 5.49 -2.24 -1.26 -4.47 114.28 106.92 1a42 n THR 199 Ca 0.08 -0.24 -0.23 0.00 -2.27 0.00 0.00 64.05 61.39 1a42 n THR 199 Cb 0.45 0.89 -0.07 0.00 -2.10 0.00 0.00 70.33 69.50 1a42 n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1a42 s THR 200 N -2.38 3.05 0.56 4.28 -4.23 -1.26 -4.68 115.64 110.98 1a42 s THR 200 Ca 0.24 -1.79 -0.18 0.00 -1.18 0.00 0.00 61.69 58.77 1a42 s THR 200 Cb 0.19 -2.92 -0.09 0.00 1.34 0.00 0.00 72.50 71.02 1a42 s THR 200 CO 0.50 -0.23 0.44 -2.65 -0.54 0.00 0.00 174.62 172.14 1a42 n PRO 201 N -1.06 0.44 0.00 3.99 -0.02 -1.26 -0.85 135.00 136.25 1a42 n PRO 201 Ca -0.04 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1a42 n PRO 201 Cb 0.61 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 1a42 n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1a42 n PRO 202 N 0.14 0.81 -2.35 0.52 -0.04 -1.26 -4.96 135.00 127.86 1a42 n PRO 202 Ca 0.11 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.37 1a42 n PRO 202 Cb 0.47 -1.08 -0.01 0.00 -0.04 0.00 0.00 33.50 32.84 1a42 n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1a42 n LEU 203 N -0.39 -1.87 -4.77 1.53 4.77 -0.03 -4.91 117.00 111.33 1a42 n LEU 203 Ca 0.00 0.03 -0.41 0.00 -0.03 0.00 0.00 56.01 55.60 1a42 n LEU 203 Cb 0.04 -2.89 -0.01 0.00 -2.33 0.00 0.00 43.42 38.23 1a42 n LEU 203 CO 0.00 -0.26 1.11 -0.76 -1.33 0.00 0.00 177.39 176.15 1a42 s LEU 204 N -5.93 4.36 -1.19 2.23 1.43 -1.26 -4.43 118.68 113.89 1a42 s LEU 204 Ca 0.00 2.91 -0.10 0.00 -1.03 0.00 0.00 54.13 55.91 1a42 s LEU 204 Cb 0.00 -3.65 0.22 0.00 0.03 0.00 0.00 46.19 42.78 1a42 s LEU 204 CO 0.00 -0.78 1.47 -0.62 0.23 0.00 0.00 176.35 176.65 1a42 n GLU 205 N 0.97 3.63 0.00 1.70 1.02 -1.26 -1.79 120.64 124.90 1a42 n GLU 205 Ca 0.02 -4.02 0.00 0.00 -0.02 0.00 0.00 57.16 53.14 1a42 n GLU 205 Cb 0.40 -2.82 0.00 0.00 -0.02 0.00 0.00 31.44 28.99 1a42 n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a42 s VAL 207 N -0.23 3.39 -0.29 0.00 1.01 -0.84 -1.39 120.40 122.05 1a42 s VAL 207 Ca 0.00 -0.57 -0.16 0.00 0.00 0.00 0.00 61.98 61.24 1a42 s VAL 207 Cb 0.00 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1a42 s VAL 207 CO 0.00 0.56 0.43 -0.89 0.00 0.00 0.00 175.10 175.20 1a42 s THR 208 N -0.29 5.12 -0.17 3.92 2.01 -0.41 -0.86 115.64 124.96 1a42 s THR 208 Ca 0.03 0.55 -0.18 0.00 0.31 0.00 0.00 61.69 62.40 1a42 s THR 208 Cb -0.13 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 1a42 s THR 208 CO 0.03 0.05 0.49 0.26 -0.69 0.00 0.00 174.62 174.76 1a42 s TRP 209 N 2.18 3.43 -0.27 4.92 0.52 -0.52 -2.25 118.94 126.95 1a42 s TRP 209 Ca 0.17 0.81 0.01 0.00 0.02 0.00 0.00 56.10 57.11 1a42 s TRP 209 Cb -0.16 -2.61 0.05 0.00 -1.15 0.00 0.00 33.47 29.60 1a42 s TRP 209 CO 0.10 0.01 -0.08 0.42 0.02 0.00 0.00 176.95 177.42 1a42 s ILE 210 N 1.23 2.45 -0.29 2.03 1.01 -0.73 -2.48 121.20 124.42 1a42 s ILE 210 Ca 0.24 -1.50 -0.05 0.00 0.00 0.00 0.00 60.65 59.34 1a42 s ILE 210 Cb -0.15 -2.41 0.02 0.00 0.01 0.00 0.00 42.46 39.94 1a42 s ILE 210 CO 0.10 -0.02 0.04 -0.69 0.00 0.00 0.00 174.94 174.37 1a42 s VAL 211 N 1.17 3.53 0.38 2.92 1.01 -0.54 -0.42 120.40 128.45 1a42 s VAL 211 Ca -0.07 -0.96 -0.25 0.00 0.00 0.00 0.00 61.98 60.71 1a42 s VAL 211 Cb -0.19 -2.88 -0.09 0.00 0.00 0.00 0.00 36.38 33.22 1a42 s VAL 211 CO -0.04 0.03 1.05 -0.76 0.00 0.00 0.00 175.10 175.38 1a42 s LEU 212 N 1.40 4.19 0.04 3.92 1.43 -0.79 -1.64 118.68 127.25 1a42 s LEU 212 Ca 0.00 2.06 -0.20 0.00 -1.03 0.00 0.00 54.13 54.96 1a42 s LEU 212 Cb -0.18 -4.11 -0.14 0.00 0.03 0.00 0.00 46.19 41.79 1a42 s LEU 212 CO 0.00 -0.44 1.36 0.50 0.23 0.00 0.00 176.35 178.00 1a42 h LYS 213 N 2.67 0.37 -6.05 1.70 3.64 -1.37 -3.44 116.57 114.09 1a42 h LYS 213 Ca -0.48 -0.19 -0.57 0.00 -1.27 0.00 0.00 60.65 58.14 1a42 h LYS 213 Cb 1.21 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.98 1a42 h LYS 213 CO 0.63 0.73 0.54 -2.00 -2.27 0.00 0.00 179.45 177.09 1a42 s GLU 214 N -4.36 4.31 0.70 1.90 2.12 -1.26 -5.01 118.70 117.09 1a42 s GLU 214 Ca -0.14 1.19 -0.11 0.00 0.36 0.00 0.00 54.97 56.27 1a42 s GLU 214 Cb 0.05 -3.59 0.01 0.00 0.26 0.00 0.00 34.13 30.87 1a42 s GLU 214 CO 0.75 -0.41 1.07 -2.14 -0.54 0.00 0.00 175.26 173.99 1a42 s PRO 215 N 2.42 2.85 0.07 4.30 0.02 -1.26 -4.73 135.00 138.67 1a42 s PRO 215 Ca 0.42 1.02 0.02 0.00 0.02 0.00 0.00 61.00 62.48 1a42 s PRO 215 Cb -0.17 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.34 1a42 s PRO 215 CO 0.12 -1.17 0.12 0.96 -0.33 0.00 0.00 177.00 176.70 1a42 s ILE 216 N -2.96 4.83 -0.04 2.83 -4.36 -0.57 -4.84 121.20 116.09 1a42 s ILE 216 Ca 0.59 -0.61 -0.01 0.00 -0.26 0.00 0.00 60.65 60.36 1a42 s ILE 216 Cb -0.15 -3.33 -0.04 0.00 1.25 0.00 0.00 42.46 40.20 1a42 s ILE 216 CO 0.53 0.15 0.06 -0.94 0.24 0.00 0.00 174.94 174.99 1a42 s SER 217 N -2.37 5.62 0.23 4.36 1.04 -1.26 -0.60 113.70 120.71 1a42 s SER 217 Ca 0.31 0.17 0.09 0.00 0.48 0.00 0.00 55.95 56.99 1a42 s SER 217 Cb -0.12 -1.62 -0.05 0.00 0.10 0.00 0.00 66.02 64.33 1a42 s SER 217 CO 0.23 0.31 -0.15 0.68 0.98 0.00 0.00 173.24 175.29 1a42 s VAL 218 N -1.10 1.94 0.76 5.02 -7.23 -0.09 -3.54 120.40 116.16 1a42 s VAL 218 Ca 0.20 -2.26 -0.11 0.00 -1.81 0.00 0.00 61.98 58.00 1a42 s VAL 218 Cb -0.12 -2.16 0.05 0.00 0.56 0.00 0.00 36.38 34.72 1a42 s VAL 218 CO 0.10 -0.51 1.12 -0.94 -0.31 0.00 0.00 175.10 174.56 1a42 s SER 219 N -3.38 4.88 0.31 4.85 1.04 -1.12 -0.42 113.70 119.86 1a42 s SER 219 Ca 0.25 0.84 0.07 0.00 0.48 0.00 0.00 55.95 57.59 1a42 s SER 219 Cb -0.02 -1.47 0.51 0.00 0.10 0.00 0.00 66.02 65.14 1a42 s SER 219 CO 0.10 -1.66 1.74 0.77 0.98 0.00 0.00 173.24 175.17 1a42 h SER 220 N -0.84 0.27 -0.38 7.02 4.64 -1.93 -2.34 113.55 119.98 1a42 h SER 220 Ca -0.45 -0.10 0.04 0.00 -0.47 0.00 0.00 61.79 60.81 1a42 h SER 220 Cb 1.30 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.28 1a42 h SER 220 CO 0.64 0.60 0.15 -0.33 -0.87 0.00 0.00 176.83 177.02 1a42 h GLU 221 N 0.23 0.30 0.59 4.77 3.07 -1.96 0.21 114.58 121.79 1a42 h GLU 221 Ca 0.03 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.84 1a42 h GLU 221 Cb 0.72 -0.07 0.01 0.00 -0.84 0.00 0.00 28.75 28.57 1a42 h GLU 221 CO 0.05 0.20 -0.28 1.96 -1.40 0.00 0.00 179.01 179.54 1a42 h GLN 222 N 0.31 -0.76 0.00 2.33 4.20 -1.83 -2.55 115.11 116.80 1a42 h GLN 222 Ca 0.17 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.94 1a42 h GLN 222 Cb 0.14 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1a42 h GLN 222 CO -0.17 -0.47 0.00 -0.24 -0.67 0.00 0.00 178.83 177.28 1a42 h VAL 223 N -0.90 0.00 -0.50 -0.54 3.04 -1.34 -0.91 116.25 115.10 1a42 h VAL 223 Ca -0.08 -0.47 0.01 0.00 -1.01 0.00 0.00 66.70 65.15 1a42 h VAL 223 Cb 0.65 1.41 -0.03 0.00 -2.01 0.00 0.00 31.29 31.31 1a42 h VAL 223 CO 0.13 0.00 0.31 0.25 -1.01 0.00 0.00 177.57 177.26 1a42 h LEU 224 N 0.00 0.52 -1.58 3.16 6.46 -0.49 -2.36 115.31 121.02 1a42 h LEU 224 Ca 0.00 -0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 1a42 h LEU 224 Cb 0.51 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.31 1a42 h LEU 224 CO 0.00 0.37 0.05 0.11 -0.62 0.00 0.00 178.44 178.35 1a42 h LYS 225 N 0.63 0.32 -0.50 1.25 1.57 -0.73 -1.45 116.57 117.66 1a42 h LYS 225 Ca 0.19 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1a42 h LYS 225 Cb -0.03 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1a42 h LYS 225 CO -0.07 0.30 0.32 0.74 -0.57 0.00 0.00 179.45 180.18 1a42 h PHE 226 N 0.31 0.64 0.00 -1.35 -1.00 -1.38 -1.95 116.94 112.22 1a42 h PHE 226 Ca 0.08 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.87 1a42 h PHE 226 Cb 0.14 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 39.49 1a42 h PHE 226 CO 0.00 0.42 0.00 0.54 -1.61 0.00 0.00 178.31 177.66 1a42 n ARG 227 N -4.72 0.11 0.00 1.51 1.74 -0.56 -2.22 116.66 112.52 1a42 n ARG 227 Ca 0.02 0.47 0.14 0.00 -0.77 0.00 0.00 57.85 57.71 1a42 n ARG 227 Cb 0.03 -1.77 0.50 0.00 -1.02 0.00 0.00 32.46 30.20 1a42 n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1a42 n LYS 228 N -2.00 0.86 -0.82 5.56 5.02 -0.73 -4.34 118.16 121.70 1a42 n LYS 228 Ca 0.01 -0.42 -0.29 0.00 -2.02 0.00 0.00 58.31 55.59 1a42 n LYS 228 Cb 0.13 -1.49 0.23 0.00 -0.02 0.00 0.00 35.03 33.87 1a42 n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a42 s LEU 229 N -2.43 0.90 0.02 -0.35 2.01 -0.94 -4.86 118.68 113.02 1a42 s LEU 229 Ca 0.28 1.23 0.07 0.00 0.01 0.00 0.00 54.13 55.72 1a42 s LEU 229 Cb 0.20 -3.18 -0.02 0.00 0.01 0.00 0.00 46.19 43.20 1a42 s LEU 229 CO 0.48 -3.92 -0.20 0.20 1.01 0.00 0.00 176.35 173.92 1a42 s ASN 230 N -3.05 2.37 0.23 2.29 0.02 0.44 -1.25 114.94 115.98 1a42 s ASN 230 Ca 0.68 -0.45 0.12 0.00 -1.02 0.00 0.00 52.86 52.18 1a42 s ASN 230 Cb -0.20 -0.22 0.04 0.00 0.02 0.00 0.00 41.25 40.89 1a42 s ASN 230 CO 0.61 0.19 1.42 -0.26 0.02 0.00 0.00 177.10 179.08 1a42 h PHE 231 N 5.20 0.00 -4.28 2.20 0.04 -1.40 -3.36 116.94 115.34 1a42 h PHE 231 Ca -0.41 0.00 -0.49 0.00 2.80 0.00 0.00 57.97 59.87 1a42 h PHE 231 Cb 1.15 0.00 0.05 0.00 2.20 0.00 0.00 35.95 39.35 1a42 h PHE 231 CO 0.46 0.70 0.39 0.54 -0.60 0.00 0.00 178.31 179.80 1a42 s ASN 232 N -6.59 6.24 0.85 2.17 4.22 -1.26 -4.53 114.94 116.04 1a42 s ASN 232 Ca 0.02 1.54 -0.12 0.00 -2.14 0.00 0.00 52.86 52.16 1a42 s ASN 232 Cb 0.09 -2.49 0.13 0.00 1.28 0.00 0.00 41.25 40.26 1a42 s ASN 232 CO 0.77 -0.86 1.19 -0.83 -2.04 0.00 0.00 177.10 175.34 1a42 s GLY 233 N -3.58 1.70 0.27 0.45 0.00 -1.26 -0.81 107.32 104.09 1a42 s GLY 233 Ca 0.58 -1.02 -0.30 0.00 0.00 0.00 0.00 44.72 43.98 1a42 s GLY 233 CO 0.44 -0.42 1.43 -2.21 0.00 0.00 0.00 173.10 172.34 1a42 n GLU 234 N -3.39 2.23 -0.88 2.90 2.13 -1.26 -1.96 120.64 120.41 1a42 n GLU 234 Ca 0.12 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.73 1a42 n GLU 234 Cb 0.60 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.84 1a42 n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a42 n GLY 235 N 1.86 0.63 3.95 8.31 0.00 -1.26 -5.01 105.19 113.67 1a42 n GLY 235 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1a42 n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a42 s GLU 236 N -0.36 2.90 0.34 1.61 2.02 -0.83 -5.04 118.70 119.35 1a42 s GLU 236 Ca 0.00 -0.51 -0.28 0.00 0.02 0.00 0.00 54.97 54.20 1a42 s GLU 236 Cb 0.00 -2.50 -0.12 0.00 0.10 0.00 0.00 34.13 31.61 1a42 s GLU 236 CO 0.00 -0.45 1.42 -2.30 0.02 0.00 0.00 175.26 173.95 1a42 n PRO 237 N -2.21 2.41 -2.52 0.39 -0.02 -1.26 -4.91 135.00 126.88 1a42 n PRO 237 Ca 0.03 0.85 -0.42 0.00 -2.02 0.00 0.00 63.50 61.94 1a42 n PRO 237 Cb 0.58 -2.52 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 1a42 n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1a42 s GLU 238 N -1.70 4.38 -0.17 -0.52 2.12 -1.26 -4.71 118.70 116.84 1a42 s GLU 238 Ca 0.56 1.61 0.01 0.00 0.36 0.00 0.00 54.97 57.51 1a42 s GLU 238 Cb -0.53 -3.53 0.03 0.00 0.26 0.00 0.00 34.13 30.36 1a42 s GLU 238 CO 0.60 -0.38 -0.13 -1.21 -0.54 0.00 0.00 175.26 173.60 1a42 s GLU 239 N 2.01 2.28 0.36 4.30 8.01 -1.26 -5.05 118.70 129.35 1a42 s GLU 239 Ca 0.54 -0.68 -0.28 0.00 0.01 0.00 0.00 54.97 54.56 1a42 s GLU 239 Cb -0.24 -2.25 -0.11 0.00 -4.31 0.00 0.00 34.13 27.22 1a42 s GLU 239 CO 0.22 -0.30 1.46 -0.51 0.01 0.00 0.00 175.26 176.14 1a42 s LEU 240 N 1.44 4.34 -0.72 1.80 1.43 -1.26 -1.15 118.68 124.56 1a42 s LEU 240 Ca 0.03 2.97 -0.22 0.00 -1.03 0.00 0.00 54.13 55.88 1a42 s LEU 240 Cb -0.14 -3.66 0.08 0.00 0.03 0.00 0.00 46.19 42.50 1a42 s LEU 240 CO -0.10 -0.81 1.00 -0.32 0.23 0.00 0.00 176.35 176.35 1a42 s MET 241 N -1.84 3.21 0.04 1.70 -2.45 -0.38 -4.65 119.30 114.93 1a42 s MET 241 Ca 0.53 -1.04 -0.03 0.00 -1.25 0.00 0.00 55.69 53.90 1a42 s MET 241 Cb -0.45 -4.39 -0.03 0.00 1.25 0.00 0.00 34.83 31.21 1a42 s MET 241 CO 0.59 -1.81 0.02 0.14 1.05 0.00 0.00 175.02 175.01 1a42 s VAL 242 N 3.76 0.17 -1.28 10.11 -7.23 -1.26 -4.48 120.40 120.19 1a42 s VAL 242 Ca 0.24 -1.41 -0.01 0.00 -1.81 0.00 0.00 61.98 58.99 1a42 s VAL 242 Cb -0.14 -1.11 -0.00 0.00 0.56 0.00 0.00 36.38 35.68 1a42 s VAL 242 CO 0.06 -0.78 0.74 0.47 -0.31 0.00 0.00 175.10 175.28 1a42 n ASP 243 N 0.54 -1.55 -2.83 4.85 8.00 0.06 -4.88 116.55 120.74 1a42 n ASP 243 Ca -0.17 -0.80 -0.35 0.00 0.71 0.00 0.00 54.79 54.17 1a42 n ASP 243 Cb 0.59 -4.18 -0.00 0.00 -0.02 0.00 0.00 41.12 37.51 1a42 n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1a42 n ASN 244 N -3.06 7.14 -4.22 -2.24 6.94 -1.13 -4.88 115.26 113.81 1a42 n ASN 244 Ca -0.29 -3.55 -0.26 0.00 -0.02 0.00 0.00 54.58 50.46 1a42 n ASN 244 Cb 0.67 -1.15 -0.15 0.00 -2.36 0.00 0.00 39.78 36.79 1a42 n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1a42 s TRP 245 N -3.05 1.75 0.08 -2.53 1.48 -1.26 -4.67 118.94 110.75 1a42 s TRP 245 Ca 0.54 -0.35 -0.15 0.00 -1.06 0.00 0.00 56.10 55.08 1a42 s TRP 245 Cb 0.39 -1.09 -0.06 0.00 -1.16 0.00 0.00 33.47 31.55 1a42 s TRP 245 CO -0.31 0.03 0.50 0.50 -4.06 0.00 0.00 176.95 173.61 1a42 s ARG 246 N -0.82 4.00 0.79 3.25 3.52 -1.26 -5.00 118.95 123.44 1a42 s ARG 246 Ca 0.07 0.50 -0.11 0.00 -0.13 0.00 0.00 55.73 56.07 1a42 s ARG 246 Cb -0.08 -3.10 0.07 0.00 -1.56 0.00 0.00 34.95 30.28 1a42 s ARG 246 CO 0.00 0.59 1.10 -2.14 -0.81 0.00 0.00 175.30 174.04 1a42 s PRO 247 N -1.50 2.07 0.42 5.12 0.02 -1.26 -4.72 135.00 135.15 1a42 s PRO 247 Ca 0.31 1.19 -0.27 0.00 0.02 0.00 0.00 61.00 62.25 1a42 s PRO 247 Cb -0.17 -1.87 -0.09 0.00 0.02 0.00 0.00 34.50 32.39 1a42 s PRO 247 CO 0.18 -1.78 1.45 0.00 -0.33 0.00 0.00 177.00 176.51 1a42 s ALA 248 N -2.88 3.38 0.14 -1.55 0.00 -1.26 -4.37 121.76 115.23 1a42 s ALA 248 Ca 0.62 1.50 0.04 0.00 0.00 0.00 0.00 51.96 54.12 1a42 s ALA 248 Cb -0.18 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 1a42 s ALA 248 CO 0.56 -1.11 0.16 -0.65 0.00 0.00 0.00 175.76 174.72 1a42 s GLN 249 N -2.28 3.04 0.32 0.00 -1.52 0.11 -4.94 119.66 114.37 1a42 s GLN 249 Ca 0.57 -0.76 -0.29 0.00 -1.95 0.00 0.00 55.36 52.93 1a42 s GLN 249 Cb -0.45 -2.75 -0.11 0.00 -0.22 0.00 0.00 33.01 29.49 1a42 s GLN 249 CO 0.59 0.51 1.49 -1.25 -0.25 0.00 0.00 175.29 176.38 1a42 s PRO 250 N -2.98 4.18 0.53 2.91 0.04 -1.26 -4.53 135.00 133.88 1a42 s PRO 250 Ca 0.32 2.48 0.33 0.00 0.04 0.00 0.00 61.00 64.16 1a42 s PRO 250 Cb -0.11 -3.03 1.31 0.00 0.04 0.00 0.00 34.50 32.71 1a42 s PRO 250 CO 0.24 -0.50 1.96 1.25 0.04 0.00 0.00 177.00 179.99 1a42 h LEU 251 N 4.11 0.00 -3.90 -3.56 5.85 -1.94 -3.44 115.31 112.42 1a42 h LEU 251 Ca -0.48 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 57.69 1a42 h LEU 251 Cb 1.23 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 1a42 h LEU 251 CO 0.72 0.00 -0.95 0.29 -0.34 0.00 0.00 178.44 178.17 1a42 n LYS 252 N -3.03 -0.38 -2.82 1.25 5.02 -1.26 -2.74 118.16 114.20 1a42 n LYS 252 Ca 0.01 0.08 -0.09 0.00 -2.02 0.00 0.00 58.31 56.29 1a42 n LYS 252 Cb 0.31 -2.14 0.04 0.00 -0.02 0.00 0.00 35.03 33.21 1a42 n LYS 252 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1a42 n ASN 253 N -1.93 -3.13 -4.30 4.39 4.13 -1.26 -4.94 115.26 108.22 1a42 n ASN 253 Ca -0.12 -0.24 -0.19 0.00 1.68 0.00 0.00 54.58 55.71 1a42 n ASN 253 Cb 0.53 -2.43 -0.11 0.00 -1.54 0.00 0.00 39.78 36.23 1a42 n ASN 253 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1a42 s ARG 254 N -5.17 1.18 -0.10 3.52 0.52 -1.11 -5.13 118.95 112.67 1a42 s ARG 254 Ca 0.15 -1.39 0.02 0.00 -0.52 0.00 0.00 55.73 53.99 1a42 s ARG 254 Cb -0.07 -1.07 0.01 0.00 0.52 0.00 0.00 34.95 34.34 1a42 s ARG 254 CO 0.31 0.20 -0.17 -1.14 0.02 0.00 0.00 175.30 174.52 1a42 s GLN 255 N -3.02 2.35 -0.11 3.54 2.00 -1.26 -5.02 119.66 118.14 1a42 s GLN 255 Ca 0.15 -0.62 -0.22 0.00 -2.00 0.00 0.00 55.36 52.67 1a42 s GLN 255 Cb -0.04 -1.92 -0.03 0.00 0.80 0.00 0.00 33.01 31.82 1a42 s GLN 255 CO 0.05 0.01 0.64 0.42 -0.50 0.00 0.00 175.29 175.91 1a42 s ILE 256 N 0.77 5.06 0.01 -2.34 1.01 -1.26 -4.77 121.20 119.68 1a42 s ILE 256 Ca -0.11 1.29 -0.04 0.00 0.00 0.00 0.00 60.65 61.79 1a42 s ILE 256 Cb -0.16 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 1a42 s ILE 256 CO 0.02 0.23 0.23 -0.54 0.00 0.00 0.00 174.94 174.87 1a42 s LYS 257 N 1.07 3.51 0.03 2.79 1.02 -0.60 -1.36 119.74 126.21 1a42 s LYS 257 Ca 0.33 -0.20 0.08 0.00 0.02 0.00 0.00 55.97 56.20 1a42 s LYS 257 Cb -0.17 -3.07 -0.03 0.00 -0.52 0.00 0.00 37.83 34.04 1a42 s LYS 257 CO 0.14 0.65 -0.25 0.00 -0.92 0.00 0.00 175.35 174.98 1a42 s ALA 258 N -1.34 2.09 -2.35 5.17 0.00 0.41 -1.10 121.76 124.64 1a42 s ALA 258 Ca 0.28 -1.18 0.25 0.00 0.00 0.00 0.00 51.96 51.31 1a42 s ALA 258 Cb -0.13 -0.45 1.01 0.00 0.00 0.00 0.00 23.12 23.55 1a42 s ALA 258 CO 0.18 0.49 1.71 -1.13 0.00 0.00 0.00 175.76 177.01 1a42 n SER 259 N 1.92 1.37 0.00 0.00 3.41 -0.44 -0.83 113.62 119.05 1a42 n SER 259 Ca -0.17 -1.53 0.00 0.00 -0.26 0.00 0.00 58.87 56.91 1a42 n SER 259 Cb 0.52 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1a42 n SER 259 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10