#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h1t s ARG 4 N 0.00 3.72 0.15 1.64 0.52 -1.26 -2.38 118.95 121.34 1h1t s ARG 4 Ca 0.00 -0.48 0.10 0.00 -0.52 0.00 0.00 55.73 54.83 1h1t s ARG 4 Cb 0.00 -3.05 -0.04 0.00 0.52 0.00 0.00 34.95 32.38 1h1t s ARG 4 CO 0.00 0.16 -0.18 0.00 0.02 0.00 0.00 175.30 175.30 1h1t s ALA 5 N 0.61 2.70 -0.07 2.13 0.00 -0.05 -1.60 121.76 125.49 1h1t s ALA 5 Ca -0.00 -1.45 0.06 0.00 0.00 0.00 0.00 51.96 50.56 1h1t s ALA 5 Cb -0.14 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.38 1h1t s ALA 5 CO 0.02 0.52 -0.24 -1.50 0.00 0.00 0.00 175.76 174.56 1h1t s ILE 6 N -1.40 2.02 -0.50 0.00 2.07 0.04 -0.13 121.20 123.30 1h1t s ILE 6 Ca 0.20 -1.03 0.03 0.00 -1.41 0.00 0.00 60.65 58.44 1h1t s ILE 6 Cb -0.09 -1.71 0.13 0.00 0.13 0.00 0.00 42.46 40.91 1h1t s ILE 6 CO 0.11 0.56 0.24 -0.47 -1.91 0.00 0.00 174.94 173.47 1h1t s TYR 7 N -0.04 3.30 0.39 3.50 5.04 0.36 -0.59 117.35 129.30 1h1t s TYR 7 Ca -0.07 -3.10 -0.09 0.00 -2.44 0.00 0.00 57.07 51.37 1h1t s TYR 7 Cb -0.15 -2.88 -0.06 0.00 0.35 0.00 0.00 41.96 39.23 1h1t s TYR 7 CO 0.05 -0.78 0.73 -1.25 -1.34 0.00 0.00 175.55 172.95 1h1t s PRO 8 N -0.08 3.73 0.00 4.97 0.04 -1.26 -1.60 135.00 140.81 1h1t s PRO 8 Ca 0.16 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.56 1h1t s PRO 8 Cb -0.24 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 31.86 1h1t s PRO 8 CO -0.02 -0.00 0.00 0.41 0.04 0.00 0.00 177.00 177.43 1h1t n GLY 9 N -1.30 0.36 0.09 0.56 0.00 -0.58 -4.94 105.19 99.38 1h1t n GLY 9 Ca 0.01 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 1h1t n GLY 9 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1h1t h THR 10 N 0.85 1.42 -6.89 2.61 2.02 -1.86 -1.84 112.91 109.21 1h1t h THR 10 Ca 0.00 -3.08 -0.58 0.00 0.77 0.00 0.00 66.41 63.52 1h1t h THR 10 Cb 0.00 2.81 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 1h1t h THR 10 CO 0.00 0.86 -1.01 0.49 0.37 0.00 0.00 175.52 176.23 1h1t n PHE 11 N -3.40 -1.46 -3.66 3.16 3.01 -1.26 -4.69 117.46 109.15 1h1t n PHE 11 Ca -0.09 0.13 -0.27 0.00 1.01 0.00 0.00 57.45 58.23 1h1t n PHE 11 Cb 1.00 -2.83 -0.10 0.00 -0.01 0.00 0.00 39.48 37.55 1h1t n PHE 11 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1h1t n ASP 12 N -2.20 3.29 -4.99 4.37 2.03 -1.26 -2.98 116.55 114.79 1h1t n ASP 12 Ca -0.12 -3.30 -0.19 0.00 0.52 0.00 0.00 54.79 51.70 1h1t n ASP 12 Cb 0.57 -0.71 0.03 0.00 -0.72 0.00 0.00 41.12 40.29 1h1t n ASP 12 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1h1t s PRO 13 N -1.92 2.59 0.12 -0.67 0.04 -1.26 -4.62 135.00 129.29 1h1t s PRO 13 Ca 0.32 -1.28 -0.31 0.00 0.04 0.00 0.00 61.00 59.77 1h1t s PRO 13 Cb 0.05 -2.67 -0.08 0.00 0.04 0.00 0.00 34.50 31.84 1h1t s PRO 13 CO -0.10 -0.54 1.33 -1.50 0.04 0.00 0.00 177.00 176.23 1h1t s ILE 14 N -2.53 3.44 0.53 0.56 2.07 -1.16 -4.64 121.20 119.47 1h1t s ILE 14 Ca 0.58 1.06 0.05 0.00 -1.41 0.00 0.00 60.65 60.93 1h1t s ILE 14 Cb -0.09 -3.68 0.03 0.00 0.13 0.00 0.00 42.46 38.85 1h1t s ILE 14 CO 0.36 0.10 0.33 0.42 -1.91 0.00 0.00 174.94 174.24 1h1t s THR 15 N 0.85 1.61 0.50 4.00 -4.23 -1.26 -4.63 115.64 112.48 1h1t s THR 15 Ca 0.61 -1.58 0.28 0.00 -1.18 0.00 0.00 61.69 59.82 1h1t s THR 15 Cb -0.35 -2.19 0.32 0.00 1.34 0.00 0.00 72.50 71.61 1h1t s THR 15 CO 0.32 0.00 2.16 0.78 -0.54 0.00 0.00 174.62 177.33 1h1t h ASN 16 N 0.88 0.00 -0.35 3.99 -0.26 -1.37 -1.62 115.58 116.86 1h1t h ASN 16 Ca -0.38 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.26 1h1t h ASN 16 Cb 1.30 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.55 1h1t h ASN 16 CO 0.61 0.07 -0.16 1.23 -1.06 0.00 0.00 177.43 178.11 1h1t h GLY 17 N 0.42 0.78 1.12 2.83 0.00 -1.88 -1.03 103.07 105.31 1h1t h GLY 17 Ca -0.00 -0.70 -0.09 0.00 0.00 0.00 0.00 47.33 46.54 1h1t h GLY 17 CO 0.01 0.64 0.03 0.45 0.00 0.00 0.00 176.54 177.67 1h1t h HIS 18 N 0.50 1.14 -0.74 5.60 3.86 -1.75 -2.06 115.15 121.70 1h1t h HIS 18 Ca 0.08 -0.18 -0.04 0.00 -1.16 0.00 0.00 60.37 59.07 1h1t h HIS 18 Cb 0.69 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.83 1h1t h HIS 18 CO 0.06 0.99 0.30 0.82 0.86 0.00 0.00 177.93 180.96 1h1t h ILE 19 N 0.97 1.25 0.06 2.45 1.08 -1.15 -0.11 117.51 122.06 1h1t h ILE 19 Ca 0.18 -0.77 -0.00 0.00 -0.39 0.00 0.00 64.86 63.88 1h1t h ILE 19 Cb 0.51 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 34.62 1h1t h ILE 19 CO 0.02 0.31 -0.03 -0.78 -0.69 0.00 0.00 178.15 176.99 1h1t h ASP 20 N 1.07 -0.08 -0.22 1.72 1.82 -0.86 -1.07 116.42 118.79 1h1t h ASP 20 Ca 0.25 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.88 1h1t h ASP 20 Cb 0.19 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.22 1h1t h ASP 20 CO -0.02 -0.05 0.09 0.40 -1.61 0.00 0.00 179.24 178.04 1h1t h ILE 21 N -0.09 1.17 -0.17 2.25 1.08 -1.04 -2.18 117.51 118.53 1h1t h ILE 21 Ca -0.01 -0.52 -0.06 0.00 -0.39 0.00 0.00 64.86 63.89 1h1t h ILE 21 Cb 0.07 1.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.90 1h1t h ILE 21 CO 0.01 0.17 -0.15 1.62 -0.69 0.00 0.00 178.15 179.11 1h1t h VAL 22 N 0.21 1.20 -0.51 1.67 3.04 -0.97 -1.51 116.25 119.37 1h1t h VAL 22 Ca 0.07 -0.89 -0.09 0.00 -1.01 0.00 0.00 66.70 64.78 1h1t h VAL 22 Cb 0.18 1.25 -0.02 0.00 -2.01 0.00 0.00 31.29 30.69 1h1t h VAL 22 CO -0.01 0.28 -0.04 0.74 -1.01 0.00 0.00 177.57 177.54 1h1t h THR 23 N 0.26 1.27 -0.68 3.17 2.02 -0.97 -1.60 112.91 116.37 1h1t h THR 23 Ca 0.05 -1.15 -0.05 0.00 0.77 0.00 0.00 66.41 66.04 1h1t h THR 23 Cb 0.43 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 1h1t h THR 23 CO 0.03 0.40 0.24 0.03 0.37 0.00 0.00 175.52 176.59 1h1t h ARG 24 N 0.80 1.03 -0.76 6.66 3.08 -0.92 -2.74 114.38 121.52 1h1t h ARG 24 Ca 0.14 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1h1t h ARG 24 Cb 0.57 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 1h1t h ARG 24 CO 0.03 0.86 0.41 0.00 -1.07 0.00 0.00 179.97 180.20 1h1t h ALA 25 N 1.26 0.98 0.00 0.04 0.00 -0.88 -2.69 119.26 117.97 1h1t h ALA 25 Ca 0.23 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1h1t h ALA 25 Cb 0.24 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1h1t h ALA 25 CO -0.01 0.50 -0.20 1.79 0.00 0.00 0.00 179.25 181.33 1h1t h THR 26 N 1.06 0.66 0.00 0.00 1.35 -1.01 -0.21 112.91 114.75 1h1t h THR 26 Ca 0.27 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1h1t h THR 26 Cb 0.05 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1h1t h THR 26 CO -0.04 0.20 -0.08 0.00 -0.25 0.00 0.00 175.52 175.35 1h1t n GLN 27 N -3.60 0.07 -0.07 4.72 6.02 -1.02 -3.94 117.38 119.55 1h1t n GLN 27 Ca -0.01 0.05 -0.08 0.00 -0.01 0.00 0.00 57.00 56.94 1h1t n GLN 27 Cb 0.34 -1.57 -0.09 0.00 1.02 0.00 0.00 30.24 29.93 1h1t n GLN 27 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1h1t n MET 28 N -1.69 1.30 -4.34 -1.09 1.56 -0.75 -5.03 117.12 107.08 1h1t n MET 28 Ca 0.06 0.03 -0.26 0.00 -0.27 0.00 0.00 57.70 57.27 1h1t n MET 28 Cb 0.36 -1.33 -0.12 0.00 2.15 0.00 0.00 33.22 34.27 1h1t n MET 28 CO 0.00 0.00 0.00 -0.06 -0.73 0.00 0.00 175.97 175.18 1h1t s PHE 29 N -2.32 2.01 0.18 1.12 0.40 -0.16 -5.06 117.98 114.14 1h1t s PHE 29 Ca -0.13 -0.41 -0.13 0.00 -0.60 0.00 0.00 56.93 55.66 1h1t s PHE 29 Cb 0.05 -1.07 0.12 0.00 0.51 0.00 0.00 43.02 42.62 1h1t s PHE 29 CO 0.47 0.30 1.80 -0.44 0.70 0.00 0.00 175.22 178.06 1h1t h ASP 30 N 3.80 0.46 -3.69 1.36 3.32 -1.79 -3.42 116.42 116.45 1h1t h ASP 30 Ca -0.47 0.01 -0.32 0.00 0.02 0.00 0.00 57.03 56.27 1h1t h ASP 30 Cb 1.18 -0.08 -0.31 0.00 0.22 0.00 0.00 39.33 40.35 1h1t h ASP 30 CO 0.42 0.32 -0.75 -2.28 -1.72 0.00 0.00 179.24 175.23 1h1t s HIS 31 N -6.14 0.34 -0.13 4.55 2.46 -1.00 -4.81 115.29 110.56 1h1t s HIS 31 Ca -0.13 -0.05 0.02 0.00 0.47 0.00 0.00 55.06 55.37 1h1t s HIS 31 Cb 0.13 -0.31 0.02 0.00 -0.13 0.00 0.00 32.58 32.29 1h1t s HIS 31 CO 0.74 -0.06 -0.18 0.08 -2.47 0.00 0.00 174.74 172.85 1h1t s VAL 32 N 0.38 1.75 -0.40 0.89 1.01 0.32 -0.87 120.40 123.49 1h1t s VAL 32 Ca -0.04 -0.78 -0.15 0.00 0.00 0.00 0.00 61.98 61.02 1h1t s VAL 32 Cb -0.07 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.74 1h1t s VAL 32 CO -0.01 0.49 0.29 -0.63 0.00 0.00 0.00 175.10 175.24 1h1t s ILE 33 N 1.06 5.25 -0.46 2.22 1.01 0.82 -0.63 121.20 130.47 1h1t s ILE 33 Ca -0.03 -0.60 -0.24 0.00 0.00 0.00 0.00 60.65 59.78 1h1t s ILE 33 Cb -0.14 -3.89 0.03 0.00 0.01 0.00 0.00 42.46 38.46 1h1t s ILE 33 CO -0.05 -0.26 0.86 -0.22 0.00 0.00 0.00 174.94 175.27 1h1t s LEU 34 N 1.68 4.13 -0.24 2.97 0.20 0.12 -0.49 118.68 127.04 1h1t s LEU 34 Ca 0.05 -0.02 -0.07 0.00 0.69 0.00 0.00 54.13 54.79 1h1t s LEU 34 Cb -0.19 -3.07 -0.03 0.00 -0.43 0.00 0.00 46.19 42.48 1h1t s LEU 34 CO 0.10 -1.00 0.05 0.00 -0.29 0.00 0.00 176.35 175.21 1h1t s ALA 35 N 3.56 3.11 -0.31 5.97 0.00 -0.63 -1.29 121.76 132.17 1h1t s ALA 35 Ca 0.33 -1.13 -0.12 0.00 0.00 0.00 0.00 51.96 51.04 1h1t s ALA 35 Cb -0.11 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.96 1h1t s ALA 35 CO 0.24 -0.46 0.24 0.42 0.00 0.00 0.00 175.76 176.20 1h1t s ILE 36 N 1.56 5.28 0.25 0.00 1.01 0.41 -1.53 121.20 128.18 1h1t s ILE 36 Ca 0.06 0.03 -0.30 0.00 0.00 0.00 0.00 60.65 60.45 1h1t s ILE 36 Cb -0.15 -3.64 -0.09 0.00 0.01 0.00 0.00 42.46 38.59 1h1t s ILE 36 CO 0.03 0.11 0.99 0.00 0.00 0.00 0.00 174.94 176.06 1h1t s ALA 37 N 1.79 3.36 0.19 9.38 0.00 -0.69 -1.01 121.76 134.77 1h1t s ALA 37 Ca 0.08 0.70 -0.12 0.00 0.00 0.00 0.00 51.96 52.61 1h1t s ALA 37 Cb -0.17 -3.25 0.17 0.00 0.00 0.00 0.00 23.12 19.88 1h1t s ALA 37 CO 0.11 0.10 1.77 0.00 0.00 0.00 0.00 175.76 177.74 1h1t h ALA 38 N 4.13 0.68 -6.57 0.00 0.00 -1.41 -3.44 119.26 112.63 1h1t h ALA 38 Ca -0.45 0.04 -0.52 0.00 0.00 0.00 0.00 54.91 53.98 1h1t h ALA 38 Cb 1.20 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 1h1t h ALA 38 CO 0.68 -0.12 -0.88 0.43 0.00 0.00 0.00 179.25 179.36 1h1t n SER 39 N -4.92 -1.03 -0.16 0.00 7.64 -1.26 -4.85 113.62 109.04 1h1t n SER 39 Ca 0.05 -1.01 0.16 0.00 1.01 0.00 0.00 58.87 59.08 1h1t n SER 39 Cb 0.17 -2.94 0.53 0.00 -1.01 0.00 0.00 64.21 60.96 1h1t n SER 39 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1h1t h PRO 40 N -1.77 0.36 0.00 1.43 0.13 -2.00 -0.62 132.00 129.53 1h1t h PRO 40 Ca -0.62 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 1h1t h PRO 40 Cb 1.38 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1h1t h PRO 40 CO 0.66 0.24 0.00 -1.13 -0.23 0.00 0.00 178.00 177.54 1h1t n SER 41 N -4.47 0.07 -0.98 1.44 3.41 -1.26 -1.24 113.62 110.60 1h1t n SER 41 Ca 0.14 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.40 1h1t n SER 41 Cb 0.56 -0.54 0.13 0.00 -0.26 0.00 0.00 64.21 64.09 1h1t n SER 41 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1h1t n LYS 42 N -1.59 2.27 -3.89 4.33 5.02 -0.24 -4.99 118.16 119.07 1h1t n LYS 42 Ca 0.01 -1.98 -0.38 0.00 -2.02 0.00 0.00 58.31 53.94 1h1t n LYS 42 Cb 0.08 -1.46 0.03 0.00 -0.02 0.00 0.00 35.03 33.66 1h1t n LYS 42 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1h1t n LYS 43 N 1.34 -0.72 -1.62 1.97 4.76 -0.37 -4.84 118.16 118.68 1h1t n LYS 43 Ca 0.15 0.31 -0.38 0.00 -2.87 0.00 0.00 58.31 55.51 1h1t n LYS 43 Cb 0.58 -3.10 0.05 0.00 -1.84 0.00 0.00 35.03 30.71 1h1t n LYS 43 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1h1t n PRO 44 N -4.44 1.00 -0.11 1.97 -0.02 -1.26 -4.92 135.00 127.22 1h1t n PRO 44 Ca -0.12 0.38 -0.11 0.00 -2.02 0.00 0.00 63.50 61.62 1h1t n PRO 44 Cb 0.58 -2.17 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 1h1t n PRO 44 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1h1t h MET 45 N 0.67 0.66 -5.93 -0.52 1.85 -1.88 -3.43 114.93 106.35 1h1t h MET 45 Ca -0.48 -0.26 -0.65 0.00 -0.61 0.00 0.00 59.70 57.70 1h1t h MET 45 Cb 1.36 -0.03 -0.09 0.00 0.43 0.00 0.00 31.60 33.27 1h1t h MET 45 CO 0.52 0.83 -0.55 -0.06 -0.40 0.00 0.00 176.91 177.25 1h1t s PHE 46 N -4.75 3.37 0.86 1.39 0.40 -1.26 -5.10 117.98 112.89 1h1t s PHE 46 Ca -0.13 0.26 -0.11 0.00 -0.60 0.00 0.00 56.93 56.36 1h1t s PHE 46 Cb 0.09 -1.78 0.11 0.00 0.51 0.00 0.00 43.02 41.96 1h1t s PHE 46 CO 0.80 0.58 1.10 0.95 0.70 0.00 0.00 175.22 179.35 1h1t s THR 47 N -1.20 2.78 0.26 0.64 -4.23 -1.26 -4.74 115.64 107.89 1h1t s THR 47 Ca 0.23 0.25 -0.04 0.00 -1.18 0.00 0.00 61.69 60.95 1h1t s THR 47 Cb -0.12 -2.62 0.27 0.00 1.34 0.00 0.00 72.50 71.36 1h1t s THR 47 CO 0.14 -0.33 1.92 0.25 -0.54 0.00 0.00 174.62 176.05 1h1t h LEU 48 N -1.51 1.08 -0.69 4.79 5.85 -1.94 -0.25 115.31 122.65 1h1t h LEU 48 Ca -0.46 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 1h1t h LEU 48 Cb 1.26 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 1h1t h LEU 48 CO 0.50 0.75 0.41 -0.33 -0.34 0.00 0.00 178.44 179.43 1h1t h GLU 49 N 1.26 0.94 -0.33 1.25 3.07 -2.00 -0.49 114.58 118.29 1h1t h GLU 49 Ca 0.39 -0.09 -0.06 0.00 -0.50 0.00 0.00 59.36 59.09 1h1t h GLU 49 Cb -0.03 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.68 1h1t h GLU 49 CO -0.11 0.68 -0.05 0.93 -1.40 0.00 0.00 179.01 179.06 1h1t h GLU 50 N 0.94 0.61 -0.82 2.33 5.08 -1.68 -2.14 114.58 118.89 1h1t h GLU 50 Ca 0.25 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1h1t h GLU 50 Cb -0.01 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 1h1t h GLU 50 CO -0.04 0.77 0.43 0.00 -1.00 0.00 0.00 179.01 179.16 1h1t h ARG 51 N 0.39 1.16 -0.25 2.33 3.08 -0.76 0.40 114.38 120.73 1h1t h ARG 51 Ca 0.09 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1h1t h ARG 51 Cb 0.53 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1h1t h ARG 51 CO 0.03 0.87 0.04 0.28 -1.07 0.00 0.00 179.97 180.11 1h1t h VAL 52 N 1.16 1.23 -0.39 2.04 2.07 -1.02 -0.66 116.25 120.68 1h1t h VAL 52 Ca 0.29 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 67.04 1h1t h VAL 52 Cb 0.06 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1h1t h VAL 52 CO -0.04 0.25 0.25 0.00 0.02 0.00 0.00 177.57 178.04 1h1t h ALA 53 N 0.85 0.49 -0.44 1.67 0.00 -0.98 0.15 119.26 121.00 1h1t h ALA 53 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1h1t h ALA 53 Cb 0.33 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1h1t h ALA 53 CO 0.01 -0.06 0.28 -0.07 0.00 0.00 0.00 179.25 179.40 1h1t h LEU 54 N 0.51 0.52 -0.70 0.00 3.38 -0.81 -1.96 115.31 116.25 1h1t h LEU 54 Ca 0.15 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1h1t h LEU 54 Cb -0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1h1t h LEU 54 CO -0.04 0.40 0.02 0.00 0.09 0.00 0.00 178.44 178.91 1h1t h ALA 55 N 1.14 0.91 0.16 1.53 0.00 -0.78 -0.92 119.26 121.31 1h1t h ALA 55 Ca 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1h1t h ALA 55 Cb -0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1h1t h ALA 55 CO -0.03 0.65 -0.16 1.96 0.00 0.00 0.00 179.25 181.67 1h1t h GLN 56 N 0.94 -0.33 -0.53 0.00 4.20 -0.39 -0.95 115.11 118.06 1h1t h GLN 56 Ca 0.17 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 1h1t h GLN 56 Cb 0.51 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 1h1t h GLN 56 CO 0.02 -0.22 0.25 0.37 -0.67 0.00 0.00 178.83 178.58 1h1t h GLN 57 N -0.34 0.76 0.00 1.46 5.75 -1.27 -1.03 115.11 120.44 1h1t h GLN 57 Ca 0.00 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.38 1h1t h GLN 57 Cb 0.32 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 28.74 1h1t h GLN 57 CO -0.04 0.63 -0.05 0.00 -2.65 0.00 0.00 178.83 176.73 1h1t h ALA 58 N 1.09 1.32 -0.18 3.38 0.00 -0.93 -2.53 119.26 121.40 1h1t h ALA 58 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1h1t h ALA 58 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1h1t h ALA 58 CO -0.02 0.06 0.00 0.25 0.00 0.00 0.00 179.25 179.54 1h1t n THR 59 N -3.60 1.51 -0.06 0.00 -2.24 -0.38 -4.70 114.28 104.79 1h1t n THR 59 Ca -0.02 -1.46 0.13 0.00 -2.27 0.00 0.00 64.05 60.43 1h1t n THR 59 Cb 0.15 0.16 0.53 0.00 -2.10 0.00 0.00 70.33 69.08 1h1t n THR 59 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h1t h ALA 60 N 1.14 2.09 0.00 6.98 0.00 -0.74 -0.60 119.26 128.14 1h1t h ALA 60 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1h1t h ALA 60 Cb 0.92 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1h1t h ALA 60 CO 0.06 -0.23 0.00 -2.39 0.00 0.00 0.00 179.25 176.69 1h1t n HIS 61 N -4.46 0.92 -3.07 0.00 1.44 -1.26 -4.55 115.22 104.23 1h1t n HIS 61 Ca 0.10 0.31 -0.44 0.00 -2.01 0.00 0.00 57.72 55.68 1h1t n HIS 61 Cb 0.41 -1.01 -0.05 0.00 0.12 0.00 0.00 29.99 29.46 1h1t n HIS 61 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1h1t s LEU 62 N -4.58 4.98 0.24 2.39 1.43 -0.23 -4.96 118.68 117.94 1h1t s LEU 62 Ca 0.07 -1.09 -0.05 0.00 -1.03 0.00 0.00 54.13 52.04 1h1t s LEU 62 Cb 0.11 -2.42 0.39 0.00 0.03 0.00 0.00 46.19 44.30 1h1t s LEU 62 CO 0.49 -1.09 1.80 1.23 0.23 0.00 0.00 176.35 179.01 1h1t h GLY 63 N 10.17 1.22 -3.42 -3.19 0.00 -1.83 -2.96 103.07 103.06 1h1t h GLY 63 Ca -0.28 -0.28 -0.32 0.00 0.00 0.00 0.00 47.33 46.44 1h1t h GLY 63 CO 1.06 0.10 0.41 1.16 0.00 0.00 0.00 176.54 179.27 1h1t n ASN 64 N -4.79 3.76 -4.47 0.19 2.04 -1.26 -4.89 115.26 105.84 1h1t n ASN 64 Ca 0.13 -3.13 -0.33 0.00 -0.44 0.00 0.00 54.58 50.81 1h1t n ASN 64 Cb 0.29 -0.74 -0.13 0.00 -2.53 0.00 0.00 39.78 36.67 1h1t n ASN 64 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1h1t s VAL 65 N -2.48 3.46 -0.12 3.53 1.01 -1.12 -0.52 120.40 124.16 1h1t s VAL 65 Ca 0.43 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.89 1h1t s VAL 65 Cb 0.36 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 34.30 1h1t s VAL 65 CO 0.09 0.54 -0.17 -0.70 0.00 0.00 0.00 175.10 174.86 1h1t s GLU 66 N -0.07 2.46 -0.23 2.72 2.12 0.20 -4.98 118.70 120.91 1h1t s GLU 66 Ca -0.00 -0.64 -0.11 0.00 0.36 0.00 0.00 54.97 54.57 1h1t s GLU 66 Cb -0.14 -2.07 -0.05 0.00 0.26 0.00 0.00 34.13 32.13 1h1t s GLU 66 CO 0.03 -0.07 0.17 0.08 -0.54 0.00 0.00 175.26 174.93 1h1t s VAL 67 N 1.01 5.36 0.02 3.70 1.01 -1.26 0.11 120.40 130.34 1h1t s VAL 67 Ca -0.05 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 1h1t s VAL 67 Cb -0.15 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 1h1t s VAL 67 CO -0.03 0.35 -0.00 0.68 0.00 0.00 0.00 175.10 176.10 1h1t s VAL 68 N 0.97 0.11 0.17 2.92 -7.23 -0.42 -4.97 120.40 111.95 1h1t s VAL 68 Ca 0.08 -0.93 0.05 0.00 -1.81 0.00 0.00 61.98 59.37 1h1t s VAL 68 Cb -0.13 -0.36 -0.04 0.00 0.56 0.00 0.00 36.38 36.41 1h1t s VAL 68 CO 0.04 -0.51 0.17 -0.83 -0.31 0.00 0.00 175.10 173.66 1h1t s GLY 69 N -1.54 1.67 -0.01 2.32 0.00 -1.26 -0.44 107.32 108.06 1h1t s GLY 69 Ca -0.14 -1.20 -0.21 0.00 0.00 0.00 0.00 44.72 43.16 1h1t s GLY 69 CO -0.01 -1.22 0.47 -0.11 0.00 0.00 0.00 173.10 172.23 1h1t s PHE 70 N -1.79 -0.38 0.00 1.90 -0.71 -0.18 -4.87 117.98 111.95 1h1t s PHE 70 Ca 0.32 0.56 0.00 0.00 -1.04 0.00 0.00 56.93 56.77 1h1t s PHE 70 Cb -0.10 0.25 0.00 0.00 -1.21 0.00 0.00 43.02 41.96 1h1t s PHE 70 CO 0.25 -0.52 0.36 -1.13 -1.34 0.00 0.00 175.22 172.83 1h1t n SER 71 N 0.91 0.71 -1.93 1.98 3.41 -1.26 -0.98 113.62 116.46 1h1t n SER 71 Ca -0.20 -0.93 0.00 0.00 -0.26 0.00 0.00 58.87 57.48 1h1t n SER 71 Cb 0.57 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 1h1t n SER 71 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1h1t n ASP 72 N -0.10 0.00 -4.71 4.04 5.68 -1.26 -4.92 116.55 115.29 1h1t n ASP 72 Ca 0.00 -0.90 -0.42 0.00 -0.50 0.00 0.00 54.79 52.97 1h1t n ASP 72 Cb 0.04 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 39.99 1h1t n ASP 72 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1h1t s LEU 73 N 0.00 4.37 0.23 -2.12 2.96 -1.26 -4.89 118.68 117.97 1h1t s LEU 73 Ca 0.00 2.58 -0.06 0.00 -0.22 0.00 0.00 54.13 56.43 1h1t s LEU 73 Cb 0.00 -3.58 0.38 0.00 0.50 0.00 0.00 46.19 43.49 1h1t s LEU 73 CO 0.00 -0.86 1.76 -0.03 -1.32 0.00 0.00 176.35 175.90 1h1t h MET 74 N 7.48 0.52 -0.95 1.98 1.85 -1.99 -1.22 114.93 122.61 1h1t h MET 74 Ca -0.43 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 58.63 1h1t h MET 74 Cb 1.20 -0.12 -0.05 0.00 0.43 0.00 0.00 31.60 33.07 1h1t h MET 74 CO 0.92 0.34 0.60 0.00 -0.40 0.00 0.00 176.91 178.37 1h1t h ALA 75 N 1.48 1.27 -0.37 0.39 0.00 -1.94 0.15 119.26 120.24 1h1t h ALA 75 Ca 0.38 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 1h1t h ALA 75 Cb 0.47 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1h1t h ALA 75 CO -0.32 0.65 -0.19 -0.91 0.00 0.00 0.00 179.25 178.48 1h1t h ASN 76 N 1.30 0.81 -0.82 0.00 2.35 -1.73 -1.17 115.58 116.32 1h1t h ASN 76 Ca 0.34 -0.41 0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1h1t h ASN 76 Cb -0.10 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.01 1h1t h ASN 76 CO -0.07 1.04 0.53 0.15 -1.65 0.00 0.00 177.43 177.43 1h1t h PHE 77 N 0.58 1.04 -0.21 1.19 3.57 -0.65 0.33 116.94 122.79 1h1t h PHE 77 Ca 0.08 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1h1t h PHE 77 Cb 0.74 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1h1t h PHE 77 CO 0.06 0.67 0.11 0.00 -2.23 0.00 0.00 178.31 176.91 1h1t h ALA 78 N 1.29 0.27 -0.83 2.41 0.00 -0.49 -0.24 119.26 121.66 1h1t h ALA 78 Ca 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1h1t h ALA 78 Cb -0.11 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1h1t h ALA 78 CO -0.06 -0.19 0.53 -0.09 0.00 0.00 0.00 179.25 179.45 1h1t h ARG 79 N 0.21 1.11 0.00 0.00 2.43 -0.82 -1.47 114.38 115.85 1h1t h ARG 79 Ca 0.07 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1h1t h ARG 79 Cb 0.10 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1h1t h ARG 79 CO -0.01 0.75 0.00 -0.91 -1.51 0.00 0.00 179.97 178.29 1h1t h ASN 80 N 1.14 0.00 -0.02 -3.80 -0.26 -0.57 -1.65 115.58 110.42 1h1t h ASN 80 Ca 0.30 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.04 1h1t h ASN 80 Cb -0.10 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.16 1h1t h ASN 80 CO -0.06 0.00 -0.03 0.00 -1.06 0.00 0.00 177.43 176.28 1h1t n GLN 81 N -2.76 1.98 -2.56 0.81 1.13 -0.13 -4.95 117.38 110.90 1h1t n GLN 81 Ca 0.01 -1.48 -0.17 0.00 -1.94 0.00 0.00 57.00 53.43 1h1t n GLN 81 Cb 0.29 -1.47 0.01 0.00 0.11 0.00 0.00 30.24 29.18 1h1t n GLN 81 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1h1t n HIS 82 N 0.78 -1.11 -3.29 1.08 8.25 -0.62 -5.00 115.22 115.31 1h1t n HIS 82 Ca 0.16 0.19 -0.35 0.00 -0.26 0.00 0.00 57.72 57.46 1h1t n HIS 82 Cb 0.49 -3.48 -0.06 0.00 1.12 0.00 0.00 29.99 28.07 1h1t n HIS 82 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1h1t s ALA 83 N -2.91 3.51 0.00 -1.41 0.00 -0.64 -4.62 121.76 115.69 1h1t s ALA 83 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.00 1h1t s ALA 83 Cb -0.05 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.47 1h1t s ALA 83 CO 0.14 0.42 0.34 0.25 0.00 0.00 0.00 175.76 176.91 1h1t n THR 84 N 0.50 0.01 -4.54 0.00 -2.24 -0.63 -4.63 114.28 102.75 1h1t n THR 84 Ca -0.03 -0.34 -0.23 0.00 -2.27 0.00 0.00 64.05 61.19 1h1t n THR 84 Cb 0.52 1.33 -0.16 0.00 -2.10 0.00 0.00 70.33 69.92 1h1t n THR 84 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1h1t s VAL 85 N -0.01 1.02 -0.28 2.28 1.01 -1.18 -1.29 120.40 121.95 1h1t s VAL 85 Ca 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 1h1t s VAL 85 Cb 0.00 -0.91 0.05 0.00 0.00 0.00 0.00 36.38 35.52 1h1t s VAL 85 CO 0.00 0.31 -0.05 -0.22 0.00 0.00 0.00 175.10 175.15 1h1t s LEU 86 N 0.28 3.61 -0.03 3.92 2.96 0.72 -0.78 118.68 129.37 1h1t s LEU 86 Ca -0.06 -1.23 -0.23 0.00 -0.22 0.00 0.00 54.13 52.39 1h1t s LEU 86 Cb -0.11 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 1h1t s LEU 86 CO 0.02 -0.21 0.68 -0.63 -1.32 0.00 0.00 176.35 174.89 1h1t s ILE 87 N 1.22 4.96 0.01 6.68 -1.09 0.24 -0.24 121.20 132.98 1h1t s ILE 87 Ca -0.05 1.42 0.02 0.00 -2.23 0.00 0.00 60.65 59.81 1h1t s ILE 87 Cb -0.19 -4.02 -0.01 0.00 -1.58 0.00 0.00 42.46 36.66 1h1t s ILE 87 CO -0.03 0.31 -0.06 -0.13 -1.23 0.00 0.00 174.94 173.81 1h1t s ARG 88 N 0.39 0.44 -0.10 2.79 1.81 -0.44 -4.28 118.95 119.57 1h1t s ARG 88 Ca 0.36 -0.33 -0.06 0.00 -1.72 0.00 0.00 55.73 53.98 1h1t s ARG 88 Cb -0.18 -0.37 -0.04 0.00 -0.45 0.00 0.00 34.95 33.90 1h1t s ARG 88 CO 0.19 0.10 0.15 0.20 -0.68 0.00 0.00 175.30 175.26 1h1t s GLY 89 N -0.48 2.17 -0.23 -3.53 0.00 -1.26 -0.87 107.32 103.12 1h1t s GLY 89 Ca -0.01 -0.65 0.02 0.00 0.00 0.00 0.00 44.72 44.08 1h1t s GLY 89 CO -0.00 -0.41 -0.14 1.08 0.00 0.00 0.00 173.10 173.63 1h1t s LEU 90 N -1.19 2.85 0.00 0.66 1.43 -0.23 -4.90 118.68 117.29 1h1t s LEU 90 Ca 0.17 -1.08 -0.11 0.00 -1.03 0.00 0.00 54.13 52.09 1h1t s LEU 90 Cb -0.12 -1.48 0.18 0.00 0.03 0.00 0.00 46.19 44.79 1h1t s LEU 90 CO 0.07 -0.12 1.07 0.54 0.23 0.00 0.00 176.35 178.14 1h1t n ARG 91 N 4.53 -0.82 0.00 1.70 1.74 -1.26 -4.27 116.66 118.27 1h1t n ARG 91 Ca -0.16 -1.93 0.00 0.00 -0.77 0.00 0.00 57.85 54.99 1h1t n ARG 91 Cb 0.45 -1.02 0.00 0.00 -1.02 0.00 0.00 32.46 30.88 1h1t n ARG 91 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1h1t n ALA 92 N -3.52 2.06 -2.48 7.54 0.00 -1.07 -4.74 120.51 118.29 1h1t n ALA 92 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.03 1h1t n ALA 92 Cb 0.50 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.85 1h1t n ALA 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1h1t s VAL 93 N 0.03 2.56 -0.05 0.00 -7.23 -1.26 -5.01 120.40 109.43 1h1t s VAL 93 Ca 0.00 -2.36 -0.00 0.00 -1.81 0.00 0.00 61.98 57.81 1h1t s VAL 93 Cb 0.00 -2.35 0.04 0.00 0.56 0.00 0.00 36.38 34.64 1h1t s VAL 93 CO 0.00 -0.40 1.85 0.00 -0.31 0.00 0.00 175.10 176.24 1h1t n ALA 94 N -0.63 3.96 0.57 1.32 0.00 -1.26 -4.08 120.51 120.38 1h1t n ALA 94 Ca -0.05 -0.28 0.11 0.00 0.00 0.00 0.00 53.44 53.22 1h1t n ALA 94 Cb 0.60 -1.06 0.44 0.00 0.00 0.00 0.00 19.45 19.43 1h1t n ALA 94 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1h1t n ASP 95 N 1.14 0.38 -0.41 0.00 -0.08 -1.26 -3.59 116.55 112.73 1h1t n ASP 95 Ca 0.05 0.57 0.33 0.00 -1.51 0.00 0.00 54.79 54.23 1h1t n ASP 95 Cb 0.53 -0.66 0.61 0.00 2.34 0.00 0.00 41.12 43.94 1h1t n ASP 95 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1h1t h PHE 96 N 0.00 0.54 0.17 -0.67 3.57 -1.94 -0.57 116.94 118.04 1h1t h PHE 96 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1h1t h PHE 96 Cb 0.42 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1h1t h PHE 96 CO 0.00 -0.12 -0.08 0.93 -2.23 0.00 0.00 178.31 176.80 1h1t h GLU 97 N 0.17 -0.22 -0.64 1.11 4.39 -1.95 -1.95 114.58 115.49 1h1t h GLU 97 Ca 0.75 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 60.43 1h1t h GLU 97 Cb 2.26 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 30.93 1h1t h GLU 97 CO -0.37 -0.13 0.28 -0.92 -1.16 0.00 0.00 179.01 176.71 1h1t h TYR 98 N -0.26 0.93 -0.49 4.33 5.03 -1.39 -2.47 116.97 122.64 1h1t h TYR 98 Ca -0.02 -0.04 -0.04 0.00 2.58 0.00 0.00 58.73 61.20 1h1t h TYR 98 Cb 0.20 -0.29 -0.02 0.00 1.55 0.00 0.00 36.73 38.17 1h1t h TYR 98 CO -0.06 0.70 0.14 0.93 -1.32 0.00 0.00 178.16 178.55 1h1t h GLU 99 N 0.92 0.74 -0.39 1.82 4.39 -1.21 -2.04 114.58 118.80 1h1t h GLU 99 Ca 0.22 -0.13 -0.11 0.00 0.34 0.00 0.00 59.36 59.68 1h1t h GLU 99 Cb 0.14 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1h1t h GLU 99 CO -0.02 0.65 -0.19 0.52 -1.16 0.00 0.00 179.01 178.81 1h1t h MET 100 N 0.72 0.76 -0.06 2.33 2.86 -0.89 0.14 114.93 120.79 1h1t h MET 100 Ca 0.16 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1h1t h MET 100 Cb 0.23 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 1h1t h MET 100 CO -0.01 0.89 0.02 1.96 1.06 0.00 0.00 176.91 180.84 1h1t h GLN 101 N 0.67 0.09 -0.29 1.72 4.20 -1.25 -0.46 115.11 119.78 1h1t h GLN 101 Ca 0.10 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 1h1t h GLN 101 Cb 0.69 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 1h1t h GLN 101 CO 0.05 0.27 0.17 -0.07 -0.67 0.00 0.00 178.83 178.58 1h1t h LEU 102 N -0.10 0.36 -0.54 1.46 4.07 -1.26 -1.61 115.31 117.69 1h1t h LEU 102 Ca 0.02 -0.07 0.03 0.00 0.08 0.00 0.00 57.88 57.94 1h1t h LEU 102 Cb 0.21 -0.09 -0.04 0.00 1.08 0.00 0.00 40.66 41.82 1h1t h LEU 102 CO -0.00 0.33 0.32 0.00 -1.08 0.00 0.00 178.44 178.00 1h1t h ALA 103 N 1.05 0.70 0.00 1.53 0.00 -0.61 -0.24 119.26 121.69 1h1t h ALA 103 Ca 0.10 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1h1t h ALA 103 Cb 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1h1t h ALA 103 CO -0.02 0.02 -0.49 0.45 0.00 0.00 0.00 179.25 179.21 1h1t h HIS 104 N 0.62 0.00 -0.09 0.00 3.86 -0.90 -0.62 115.15 118.04 1h1t h HIS 104 Ca 0.22 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.37 1h1t h HIS 104 Cb 0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1h1t h HIS 104 CO -0.07 0.49 -0.18 1.98 0.86 0.00 0.00 177.93 181.01 1h1t h MET 105 N 0.00 0.27 -0.41 2.45 -1.53 -0.76 -1.76 114.93 113.20 1h1t h MET 105 Ca -0.00 -0.18 -0.01 0.00 -3.44 0.00 0.00 59.70 56.06 1h1t h MET 105 Cb 0.87 0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.92 1h1t h MET 105 CO 0.06 0.77 0.19 -0.91 0.14 0.00 0.00 176.91 177.17 1h1t h ASN 106 N -0.19 0.50 -0.15 1.39 2.35 -0.96 -0.75 115.58 117.77 1h1t h ASN 106 Ca 0.00 -0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.60 1h1t h ASN 106 Cb 0.77 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 1h1t h ASN 106 CO 0.04 0.44 -0.28 -0.09 -1.65 0.00 0.00 177.43 175.89 1h1t h ARG 107 N 0.57 0.63 -0.50 0.81 2.43 -1.00 0.22 114.38 117.53 1h1t h ARG 107 Ca 0.14 -0.27 -0.10 0.00 -0.81 0.00 0.00 59.98 58.95 1h1t h ARG 107 Cb 0.07 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1h1t h ARG 107 CO -0.02 0.84 -0.09 1.25 -1.51 0.00 0.00 179.97 180.44 1h1t h HIS 108 N 0.54 1.00 -0.02 2.20 2.76 -0.33 -0.74 115.15 120.57 1h1t h HIS 108 Ca 0.07 -0.19 -0.19 0.00 -2.20 0.00 0.00 60.37 57.86 1h1t h HIS 108 Cb 0.76 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.46 1h1t h HIS 108 CO 0.03 0.95 -0.82 -0.07 -1.30 0.00 0.00 177.93 176.72 1h1t h LEU 109 N 0.82 0.36 -6.02 0.26 3.38 -0.82 -3.41 115.31 109.88 1h1t h LEU 109 Ca 0.14 -0.27 -0.30 0.00 0.09 0.00 0.00 57.88 57.53 1h1t h LEU 109 Cb 0.61 -0.11 -0.27 0.00 0.09 0.00 0.00 40.66 40.99 1h1t h LEU 109 CO 0.04 1.04 -0.65 -0.32 0.09 0.00 0.00 178.44 178.64 1h1t s MET 110 N -3.38 0.81 0.59 1.13 0.00 0.74 -4.99 119.30 114.20 1h1t s MET 110 Ca -0.04 -1.00 0.29 0.00 0.00 0.00 0.00 55.69 54.94 1h1t s MET 110 Cb 0.10 -0.55 1.62 0.00 0.00 0.00 0.00 34.83 36.00 1h1t s MET 110 CO 0.83 -1.25 2.05 -1.00 0.00 0.00 0.00 175.02 175.65 1h1t h PRO 111 N 6.40 0.00 -0.00 4.11 0.13 -1.33 -1.59 132.00 139.72 1h1t h PRO 111 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1h1t h PRO 111 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1h1t h PRO 111 CO 0.17 0.00 -0.11 -0.85 -0.23 0.00 0.00 178.00 176.98 1h1t n GLU 112 N -3.76 0.56 -2.94 0.86 0.00 -1.26 -4.61 120.64 109.49 1h1t n GLU 112 Ca 0.03 -0.17 -0.43 0.00 0.00 0.00 0.00 57.16 56.59 1h1t n GLU 112 Cb 0.40 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.30 1h1t n GLU 112 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1h1t s LEU 113 N -2.55 4.46 -0.25 -1.84 2.96 -0.60 -4.71 118.68 116.15 1h1t s LEU 113 Ca 0.27 -0.72 -0.23 0.00 -0.22 0.00 0.00 54.13 53.23 1h1t s LEU 113 Cb 0.20 -2.59 -0.01 0.00 0.50 0.00 0.00 46.19 44.28 1h1t s LEU 113 CO 0.49 -1.20 0.75 -0.70 -1.32 0.00 0.00 176.35 174.37 1h1t s GLU 114 N 3.58 4.13 0.18 1.98 2.56 -0.42 -4.75 118.70 125.98 1h1t s GLU 114 Ca 0.23 0.76 -0.30 0.00 0.00 0.00 0.00 54.97 55.66 1h1t s GLU 114 Cb -0.16 -3.66 -0.08 0.00 2.00 0.00 0.00 34.13 32.24 1h1t s GLU 114 CO 0.14 -0.50 1.11 -1.12 -0.56 0.00 0.00 175.26 174.34 1h1t s SER 115 N 1.42 7.24 -0.03 -1.70 0.01 -1.26 -0.20 113.70 119.18 1h1t s SER 115 Ca 0.31 2.12 0.01 0.00 1.31 0.00 0.00 55.95 59.71 1h1t s SER 115 Cb -0.15 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.48 1h1t s SER 115 CO 0.08 -0.24 -0.05 0.68 0.41 0.00 0.00 173.24 174.12 1h1t s VAL 116 N -0.26 0.51 -0.17 3.43 -7.23 0.67 -4.88 120.40 112.48 1h1t s VAL 116 Ca 0.50 -0.18 -0.05 0.00 -1.81 0.00 0.00 61.98 60.44 1h1t s VAL 116 Cb -0.30 -0.49 -0.03 0.00 0.56 0.00 0.00 36.38 36.12 1h1t s VAL 116 CO 0.35 0.19 -0.01 -0.36 -0.31 0.00 0.00 175.10 174.96 1h1t s PHE 117 N 0.45 3.09 0.15 2.82 0.08 -1.26 -1.33 117.98 121.98 1h1t s PHE 117 Ca -0.06 -0.20 0.08 0.00 0.12 0.00 0.00 56.93 56.87 1h1t s PHE 117 Cb -0.09 -2.00 -0.04 0.00 -0.57 0.00 0.00 43.02 40.32 1h1t s PHE 117 CO -0.00 0.01 -0.08 -0.51 -0.10 0.00 0.00 175.22 174.54 1h1t s LEU 118 N 0.40 3.07 -0.18 -0.37 1.43 -0.05 -4.96 118.68 118.02 1h1t s LEU 118 Ca -0.02 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.59 1h1t s LEU 118 Cb -0.14 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 1h1t s LEU 118 CO 0.02 0.13 -0.06 -0.32 0.23 0.00 0.00 176.35 176.35 1h1t s MET 119 N -2.60 3.49 0.95 1.70 -2.45 -1.26 -1.07 119.30 118.06 1h1t s MET 119 Ca 0.24 -0.60 -0.12 0.00 -1.25 0.00 0.00 55.69 53.96 1h1t s MET 119 Cb -0.10 -2.89 0.16 0.00 1.25 0.00 0.00 34.83 33.25 1h1t s MET 119 CO 0.15 0.06 1.11 -1.25 1.05 0.00 0.00 175.02 176.15 1h1t s PRO 120 N 0.80 0.83 0.94 4.11 0.04 -1.26 -4.99 135.00 135.47 1h1t s PRO 120 Ca -0.02 0.41 -0.11 0.00 0.04 0.00 0.00 61.00 61.32 1h1t s PRO 120 Cb -0.15 -1.79 0.15 0.00 0.04 0.00 0.00 34.50 32.75 1h1t s PRO 120 CO 0.02 -2.43 1.09 -1.54 0.04 0.00 0.00 177.00 174.17 1h1t s SER 121 N -3.75 2.99 0.31 6.66 1.04 -1.26 -4.81 113.70 114.88 1h1t s SER 121 Ca 0.64 1.66 -0.01 0.00 0.48 0.00 0.00 55.95 58.72 1h1t s SER 121 Cb -0.17 -2.30 0.48 0.00 0.10 0.00 0.00 66.02 64.14 1h1t s SER 121 CO 0.55 -2.97 1.96 0.11 0.98 0.00 0.00 173.24 173.88 1h1t h LYS 122 N -1.77 1.04 -0.93 4.02 1.57 -1.99 -2.42 116.57 116.08 1h1t h LYS 122 Ca -0.50 -0.06 0.15 0.00 -1.87 0.00 0.00 60.65 58.37 1h1t h LYS 122 Cb 1.29 -0.23 -0.08 0.00 0.08 0.00 0.00 32.23 33.28 1h1t h LYS 122 CO 0.51 0.69 0.60 1.49 -0.57 0.00 0.00 179.45 182.16 1h1t h GLU 123 N 1.07 0.71 -0.41 3.15 4.57 -2.04 -2.38 114.58 119.26 1h1t h GLU 123 Ca 0.31 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 1h1t h GLU 123 Cb -0.06 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.37 1h1t h GLU 123 CO -0.08 0.47 0.00 0.91 -1.18 0.00 0.00 179.01 179.13 1h1t n TRP 124 N -4.60 0.73 0.60 0.92 5.03 -0.98 -4.66 117.44 114.48 1h1t n TRP 124 Ca 0.19 -0.58 0.08 0.00 3.03 0.00 0.00 57.50 60.22 1h1t n TRP 124 Cb 0.49 -0.10 0.36 0.00 -1.03 0.00 0.00 31.31 31.02 1h1t n TRP 124 CO 0.00 0.00 0.00 0.43 -0.03 0.00 0.00 177.69 178.09 1h1t n SER 125 N 0.52 0.00 -0.03 -0.99 7.64 -0.90 -3.31 113.62 116.56 1h1t n SER 125 Ca 0.16 0.41 0.01 0.00 1.01 0.00 0.00 58.87 60.47 1h1t n SER 125 Cb 0.59 -0.46 0.02 0.00 -1.01 0.00 0.00 64.21 63.35 1h1t n SER 125 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1h1t n PHE 126 N -1.46 0.00 -4.05 1.43 3.01 -1.26 -2.59 117.46 112.54 1h1t n PHE 126 Ca 0.05 -0.46 -0.22 0.00 1.01 0.00 0.00 57.45 57.83 1h1t n PHE 126 Cb 0.18 -0.06 -0.04 0.00 -0.01 0.00 0.00 39.48 39.56 1h1t n PHE 126 CO 0.00 0.00 0.00 -1.50 1.01 0.00 0.00 176.76 176.27 1h1t s ILE 127 N -1.04 4.80 0.10 4.37 1.10 -1.21 -5.08 121.20 124.24 1h1t s ILE 127 Ca 0.05 -1.17 -0.18 0.00 -0.51 0.00 0.00 60.65 58.83 1h1t s ILE 127 Cb 0.04 -3.58 0.04 0.00 0.15 0.00 0.00 42.46 39.12 1h1t s ILE 127 CO 0.00 -0.30 0.45 -0.94 -2.11 0.00 0.00 174.94 172.05 1h1t s SER 128 N -3.76 -0.32 0.25 4.50 1.04 -1.26 -5.02 113.70 109.13 1h1t s SER 128 Ca 0.33 -0.12 -0.06 0.00 0.48 0.00 0.00 55.95 56.58 1h1t s SER 128 Cb -0.09 0.48 0.28 0.00 0.10 0.00 0.00 66.02 66.79 1h1t s SER 128 CO 0.26 -0.80 1.92 0.28 0.98 0.00 0.00 173.24 175.89 1h1t h SER 129 N 2.54 1.14 -0.44 7.02 0.02 -1.87 -1.74 113.55 120.22 1h1t h SER 129 Ca -0.33 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.59 1h1t h SER 129 Cb 1.24 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 1h1t h SER 129 CO 0.44 0.82 0.25 -1.28 -1.14 0.00 0.00 176.83 175.92 1h1t h SER 130 N 1.34 0.54 -0.33 3.07 0.87 -1.94 -1.12 113.55 115.99 1h1t h SER 130 Ca 0.38 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.84 1h1t h SER 130 Cb -0.12 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 1h1t h SER 130 CO -0.09 0.46 0.14 0.25 -0.53 0.00 0.00 176.83 177.05 1h1t h LEU 131 N 0.58 0.45 -0.55 2.23 6.46 -1.85 -1.27 115.31 121.35 1h1t h LEU 131 Ca 0.16 -0.16 -0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1h1t h LEU 131 Cb 0.03 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 39.82 1h1t h LEU 131 CO -0.03 0.49 0.33 0.58 -0.62 0.00 0.00 178.44 179.19 1h1t h VAL 132 N 0.38 1.16 -0.69 1.05 2.07 -1.16 -1.38 116.25 117.69 1h1t h VAL 132 Ca 0.11 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1h1t h VAL 132 Cb 0.17 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1h1t h VAL 132 CO -0.01 0.17 0.30 0.11 0.02 0.00 0.00 177.57 178.16 1h1t h LYS 133 N 0.74 1.02 -0.52 1.57 1.57 -1.04 -0.04 116.57 119.87 1h1t h LYS 133 Ca 0.20 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1h1t h LYS 133 Cb -0.02 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 1h1t h LYS 133 CO -0.04 0.83 0.27 1.49 -0.57 0.00 0.00 179.45 181.44 1h1t h GLU 134 N 0.98 0.73 -0.41 3.15 4.81 -0.88 0.80 114.58 123.77 1h1t h GLU 134 Ca 0.23 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1h1t h GLU 134 Cb 0.17 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1h1t h GLU 134 CO -0.02 0.58 0.08 0.28 -0.73 0.00 0.00 179.01 179.19 1h1t h VAL 135 N 0.69 1.24 -0.18 0.32 2.07 -0.98 -2.85 116.25 116.56 1h1t h VAL 135 Ca 0.18 -0.84 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 1h1t h VAL 135 Cb 0.07 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1h1t h VAL 135 CO -0.03 0.29 -0.15 0.00 0.02 0.00 0.00 177.57 177.70 1h1t h ALA 136 N 0.94 1.41 0.00 1.67 0.00 -0.72 -0.52 119.26 122.04 1h1t h ALA 136 Ca 0.13 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1h1t h ALA 136 Cb 0.35 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1h1t h ALA 136 CO 0.01 0.41 -0.02 0.00 0.00 0.00 0.00 179.25 179.64 1h1t h ARG 137 N 0.27 0.00 -0.36 0.00 3.08 -0.60 -0.65 114.38 116.11 1h1t h ARG 137 Ca 0.05 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 1h1t h ARG 137 Cb 0.44 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.45 1h1t h ARG 137 CO 0.03 0.02 0.03 0.72 -1.07 0.00 0.00 179.97 179.70 1h1t n HIS 138 N -3.20 1.25 -2.35 3.04 8.25 -0.65 -4.97 115.22 116.60 1h1t n HIS 138 Ca -0.02 -1.06 -0.20 0.00 -0.26 0.00 0.00 57.72 56.18 1h1t n HIS 138 Cb 0.17 -0.42 -0.01 0.00 1.12 0.00 0.00 29.99 30.85 1h1t n HIS 138 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1h1t n GLN 139 N -0.54 -1.73 -2.88 -0.41 3.00 -0.25 -5.00 117.38 109.58 1h1t n GLN 139 Ca 0.27 0.98 -0.32 0.00 -0.01 0.00 0.00 57.00 57.93 1h1t n GLN 139 Cb 1.01 -5.62 -0.05 0.00 0.00 0.00 0.00 30.24 25.58 1h1t n GLN 139 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1h1t s GLY 140 N -2.09 2.14 -0.38 1.08 0.00 -0.30 -4.99 107.32 102.79 1h1t s GLY 140 Ca 0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 44.72 44.43 1h1t s GLY 140 CO 0.00 0.21 1.47 -0.35 0.00 0.00 0.00 173.10 174.44 1h1t s ASP 141 N -2.74 6.29 -0.14 1.64 3.68 -1.26 -4.32 116.67 119.82 1h1t s ASP 141 Ca 0.54 0.97 0.16 0.00 2.13 0.00 0.00 52.55 56.35 1h1t s ASP 141 Cb -0.10 -2.54 0.40 0.00 -1.45 0.00 0.00 42.92 39.24 1h1t s ASP 141 CO 0.25 -1.44 1.30 1.33 0.13 0.00 0.00 175.17 176.73 1h1t n VAL 142 N 7.03 1.97 -0.35 1.11 0.24 -1.26 -4.71 118.33 122.37 1h1t n VAL 142 Ca 0.17 -1.87 0.08 0.00 -2.04 0.00 0.00 64.34 60.68 1h1t n VAL 142 Cb 0.48 -0.14 0.25 0.00 -1.47 0.00 0.00 33.84 32.96 1h1t n VAL 142 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1h1t h THR 143 N 1.15 0.86 0.00 3.34 2.02 -1.92 -2.19 112.91 116.17 1h1t h THR 143 Ca 0.00 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 1h1t h THR 143 Cb 1.18 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1h1t h THR 143 CO 0.12 0.16 -0.07 -0.74 0.37 0.00 0.00 175.52 175.37 1h1t h HIS 144 N 0.90 0.00 -0.02 3.16 6.17 -2.01 -3.11 115.15 120.23 1h1t h HIS 144 Ca 0.50 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.58 1h1t h HIS 144 Cb 0.58 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.51 1h1t h HIS 144 CO -0.02 0.07 -0.22 1.19 0.71 0.00 0.00 177.93 179.67 1h1t n PHE 145 N -4.05 0.00 -4.20 5.26 3.01 -0.82 -4.97 117.46 111.68 1h1t n PHE 145 Ca -0.03 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.26 1h1t n PHE 145 Cb 0.15 -0.01 -0.11 0.00 -0.01 0.00 0.00 39.48 39.50 1h1t n PHE 145 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1h1t s LEU 146 N -2.23 2.36 0.57 4.37 1.43 -1.18 -0.91 118.68 123.09 1h1t s LEU 146 Ca 0.25 -0.74 -0.20 0.00 -1.03 0.00 0.00 54.13 52.41 1h1t s LEU 146 Cb 0.19 -0.49 -0.04 0.00 0.03 0.00 0.00 46.19 45.88 1h1t s LEU 146 CO 0.43 -0.14 1.25 -2.84 0.23 0.00 0.00 176.35 175.28 1h1t s PRO 147 N -2.35 3.05 0.21 1.29 0.02 -1.26 -4.71 135.00 131.25 1h1t s PRO 147 Ca 0.04 1.94 -0.13 0.00 0.02 0.00 0.00 61.00 62.88 1h1t s PRO 147 Cb -0.06 -2.05 0.25 0.00 0.02 0.00 0.00 34.50 32.66 1h1t s PRO 147 CO 0.02 -1.17 1.64 1.49 -0.33 0.00 0.00 177.00 178.65 1h1t h GLU 148 N 1.11 0.04 -0.57 5.54 4.22 -2.00 -0.05 114.58 122.87 1h1t h GLU 148 Ca -0.50 -0.00 -0.03 0.00 0.08 0.00 0.00 59.36 58.90 1h1t h GLU 148 Cb 1.30 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 1h1t h GLU 148 CO 0.56 0.02 0.23 -2.95 -2.18 0.00 0.00 179.01 174.69 1h1t h ASN 149 N 0.04 0.75 -0.35 1.04 -1.07 -1.96 -2.10 115.58 111.92 1h1t h ASN 149 Ca 0.31 -0.09 -0.16 0.00 0.07 0.00 0.00 56.30 56.42 1h1t h ASN 149 Cb 0.48 -0.19 -0.01 0.00 -2.07 0.00 0.00 38.32 36.54 1h1t h ASN 149 CO -0.60 0.67 -0.42 0.58 0.07 0.00 0.00 177.43 177.74 1h1t h VAL 150 N 0.81 1.27 -0.60 6.14 2.07 -1.49 -2.01 116.25 122.45 1h1t h VAL 150 Ca 0.19 -1.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.10 1h1t h VAL 150 Cb 0.16 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1h1t h VAL 150 CO -0.02 0.53 0.30 -0.74 0.02 0.00 0.00 177.57 177.66 1h1t h HIS 151 N 0.74 0.85 -0.55 1.57 -0.00 -0.79 -0.17 115.15 116.80 1h1t h HIS 151 Ca 0.05 -0.04 0.01 0.00 -0.00 0.00 0.00 60.37 60.40 1h1t h HIS 151 Cb 1.01 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 28.13 1h1t h HIS 151 CO 0.06 0.64 0.35 1.96 -0.00 0.00 0.00 177.93 180.95 1h1t h GLN 152 N 0.82 0.70 -0.52 5.26 4.20 -1.29 -0.99 115.11 123.28 1h1t h GLN 152 Ca 0.21 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.80 1h1t h GLN 152 Cb 0.10 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1h1t h GLN 152 CO -0.03 0.46 0.02 0.00 -0.67 0.00 0.00 178.83 178.61 1h1t h ALA 153 N 1.21 1.05 -0.31 3.87 0.00 -0.96 -1.83 119.26 122.30 1h1t h ALA 153 Ca 0.21 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1h1t h ALA 153 Cb -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1h1t h ALA 153 CO -0.06 0.59 -0.19 1.25 0.00 0.00 0.00 179.25 180.85 1h1t h LEU 154 N 0.81 0.69 -0.17 0.00 5.85 -0.65 -0.02 115.31 121.82 1h1t h LEU 154 Ca 0.16 -0.43 0.01 0.00 0.84 0.00 0.00 57.88 58.46 1h1t h LEU 154 Cb 0.46 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1h1t h LEU 154 CO 0.02 0.97 0.10 0.24 -0.34 0.00 0.00 178.44 179.43 1h1t h MET 155 N 0.42 0.21 -0.83 1.25 2.86 -1.05 -1.93 114.93 115.86 1h1t h MET 155 Ca 0.06 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 1h1t h MET 155 Cb 0.72 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.30 1h1t h MET 155 CO 0.05 0.14 0.37 0.00 1.06 0.00 0.00 176.91 178.53 1h1t h ALA 156 N 1.07 1.07 -0.41 6.32 0.00 -1.27 0.25 119.26 126.28 1h1t h ALA 156 Ca 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1h1t h ALA 156 Cb -0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1h1t h ALA 156 CO -0.03 0.66 0.21 -0.22 0.00 0.00 0.00 179.25 179.87 1h1t h LYS 157 N 1.19 0.57 -0.03 0.00 1.63 -0.67 -2.73 116.57 116.52 1h1t h LYS 157 Ca 0.28 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 1h1t h LYS 157 Cb 0.16 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 1h1t h LYS 157 CO -0.03 0.44 -0.04 1.28 -3.45 0.00 0.00 179.45 177.65 1h1t n LEU 158 N -4.41 2.83 0.00 5.20 4.77 -0.75 -5.09 117.00 119.55 1h1t n LEU 158 Ca 0.03 -0.98 0.06 0.00 -0.03 0.00 0.00 56.01 55.09 1h1t n LEU 158 Cb 0.11 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.53 1h1t n LEU 158 CO 0.36 0.48 0.55 0.00 -1.33 0.00 0.00 177.39 177.45