#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ksh s SER 2 N 0.00 3.41 -0.21 6.12 1.04 -1.26 -5.11 113.70 117.70 2ksh s SER 2 Ca 0.00 -0.71 -0.09 0.00 0.48 0.00 0.00 55.95 55.64 2ksh s SER 2 Cb 0.00 -1.52 -0.04 0.00 0.10 0.00 0.00 66.02 64.56 2ksh s SER 2 CO 0.00 -0.03 0.10 -0.76 0.98 0.00 0.00 173.24 173.53 2ksh s LEU 3 N 1.29 3.91 0.42 2.42 1.43 -1.26 -4.98 118.68 121.91 2ksh s LEU 3 Ca 0.04 0.08 0.16 0.00 -1.03 0.00 0.00 54.13 53.37 2ksh s LEU 3 Cb -0.14 -2.01 1.04 0.00 0.03 0.00 0.00 46.19 45.10 2ksh s LEU 3 CO -0.11 0.13 1.90 0.11 0.23 0.00 0.00 176.35 178.61 2ksh h LYS 4 N 7.05 0.43 -0.38 1.70 1.57 -1.99 0.14 116.57 125.08 2ksh h LYS 4 Ca -0.38 -0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.49 2ksh h LYS 4 Cb 1.17 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 2ksh h LYS 4 CO 0.69 0.28 0.38 0.66 -0.57 0.00 0.00 179.45 180.89 2ksh h SER 5 N 0.44 0.00 -0.89 0.86 4.64 -1.94 -0.21 113.55 116.45 2ksh h SER 5 Ca 0.40 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.85 2ksh h SER 5 Cb 0.92 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.94 2ksh h SER 5 CO -0.14 0.00 0.57 0.44 -0.87 0.00 0.00 176.83 176.83 2ksh h ASP 6 N 0.00 0.69 -0.03 4.97 3.32 -1.13 0.20 116.42 124.44 2ksh h ASP 6 Ca 0.18 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 2ksh h ASP 6 Cb 0.94 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.38 2ksh h ASP 6 CO -0.00 0.36 0.01 -0.33 -1.72 0.00 0.00 179.24 177.56 2ksh h GLU 7 N 0.74 0.04 -0.23 3.56 4.39 -1.20 0.10 114.58 121.98 2ksh h GLU 7 Ca 0.44 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.12 2ksh h GLU 7 Cb 0.64 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 2ksh h GLU 7 CO -0.20 0.18 0.09 0.28 -1.16 0.00 0.00 179.01 178.20 2ksh h VAL 8 N -0.12 1.17 -0.29 3.13 2.07 -1.45 -1.49 116.25 119.28 2ksh h VAL 8 Ca 0.01 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 2ksh h VAL 8 Cb 0.16 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2ksh h VAL 8 CO -0.00 0.17 0.03 -0.26 0.02 0.00 0.00 177.57 177.52 2ksh h PHE 9 N 0.21 0.43 -0.13 1.57 0.04 -0.94 0.79 116.94 118.91 2ksh h PHE 9 Ca 0.08 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 2ksh h PHE 9 Cb 0.18 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.19 2ksh h PHE 9 CO -0.01 0.42 -0.06 0.00 -0.60 0.00 0.00 178.31 178.06 2ksh h ALA 10 N 1.62 0.18 -0.36 2.45 0.00 -0.47 -1.60 119.26 121.08 2ksh h ALA 10 Ca 0.10 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2ksh h ALA 10 Cb 0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2ksh h ALA 10 CO 0.00 -0.04 -0.19 1.57 0.00 0.00 0.00 179.25 180.59 2ksh h LYS 11 N -0.08 0.77 -0.56 0.00 2.10 -1.03 -2.83 116.57 114.94 2ksh h LYS 11 Ca 0.03 -0.34 0.01 0.00 -2.00 0.00 0.00 60.65 58.34 2ksh h LYS 11 Cb 0.51 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 31.79 2ksh h LYS 11 CO 0.02 0.96 0.37 0.82 -2.00 0.00 0.00 179.45 179.62 2ksh h ILE 12 N 0.56 1.14 -0.33 0.07 2.04 -0.87 -2.42 117.51 117.70 2ksh h ILE 12 Ca 0.08 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.70 2ksh h ILE 12 Cb 0.74 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 2ksh h ILE 12 CO 0.06 0.14 0.15 0.00 0.00 0.00 0.00 178.15 178.49 2ksh h ALA 13 N 1.21 0.40 -0.28 1.87 0.00 -1.24 -1.46 119.26 119.76 2ksh h ALA 13 Ca 0.21 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.18 2ksh h ALA 13 Cb -0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2ksh h ALA 13 CO -0.04 -0.24 0.19 0.87 0.00 0.00 0.00 179.25 180.03 2ksh h LYS 14 N 0.31 0.17 0.00 0.00 1.79 -1.23 0.12 116.57 117.73 2ksh h LYS 14 Ca 0.14 -0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.52 2ksh h LYS 14 Cb 0.08 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 2ksh h LYS 14 CO -0.12 0.11 -0.38 0.00 -1.08 0.00 0.00 179.45 177.99 2ksh h ARG 15 N 0.18 0.00 0.00 3.15 2.47 -0.80 -2.91 114.38 116.47 2ksh h ARG 15 Ca 0.12 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 2ksh h ARG 15 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 2ksh h ARG 15 CO -0.02 0.38 0.00 1.28 0.56 0.00 0.00 179.97 182.17 2ksh n LEU 16 N -3.38 0.64 0.05 3.04 4.77 0.02 -1.97 117.00 120.17 2ksh n LEU 16 Ca 0.01 0.65 0.13 0.00 -0.03 0.00 0.00 56.01 56.76 2ksh n LEU 16 Cb 0.57 -0.55 0.30 0.00 -2.33 0.00 0.00 43.42 41.40 2ksh n LEU 16 CO 0.37 -0.52 0.58 -0.62 -1.33 0.00 0.00 177.39 175.88 2ksh n GLU 17 N -2.20 0.20 0.01 3.23 1.02 -1.10 -3.50 120.64 118.31 2ksh n GLU 17 Ca 0.02 0.09 0.11 0.00 -0.02 0.00 0.00 57.16 57.37 2ksh n GLU 17 Cb 0.24 -1.66 -0.02 0.00 -0.02 0.00 0.00 31.44 29.97 2ksh n GLU 17 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2ksh n SER 18 N -1.97 0.66 -4.76 1.62 2.88 -0.83 -4.95 113.62 106.26 2ksh n SER 18 Ca 0.05 -0.47 -0.39 0.00 -1.33 0.00 0.00 58.87 56.72 2ksh n SER 18 Cb 0.41 0.94 0.01 0.00 -0.75 0.00 0.00 64.21 64.82 2ksh n SER 18 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2ksh s ILE 19 N -3.14 2.37 0.17 2.46 1.01 -1.20 -5.03 121.20 117.84 2ksh s ILE 19 Ca 0.05 0.32 0.11 0.00 0.00 0.00 0.00 60.65 61.12 2ksh s ILE 19 Cb 0.15 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 2ksh s ILE 19 CO 0.83 0.03 -0.22 -1.81 0.00 0.00 0.00 174.94 173.76 2ksh s ASP 20 N -0.77 3.56 0.50 3.58 1.11 -1.26 -5.03 116.67 118.36 2ksh s ASP 20 Ca 0.62 -0.78 0.29 0.00 0.18 0.00 0.00 52.55 52.86 2ksh s ASP 20 Cb -0.39 -0.33 1.22 0.00 1.07 0.00 0.00 42.92 44.48 2ksh s ASP 20 CO 0.50 0.14 1.94 1.55 1.18 0.00 0.00 175.17 180.47 2ksh h PRO 21 N 3.36 0.00 0.37 8.23 0.13 -2.01 -3.22 132.00 138.86 2ksh h PRO 21 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2ksh h PRO 21 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ksh h PRO 21 CO 0.47 0.12 -0.22 0.00 -0.23 0.00 0.00 178.00 178.13 2ksh h ALA 22 N 1.88 -0.56 -2.82 -0.56 0.00 -2.03 -3.39 119.26 111.78 2ksh h ALA 22 Ca -0.00 -0.11 -0.68 0.00 0.00 0.00 0.00 54.91 54.12 2ksh h ALA 22 Cb 0.58 0.27 -0.22 0.00 0.00 0.00 0.00 17.79 18.42 2ksh h ALA 22 CO 0.02 -0.83 -0.53 1.21 0.00 0.00 0.00 179.25 179.12 2ksh s ASN 23 N -4.70 5.69 0.00 0.00 3.84 -1.22 -4.98 114.94 113.57 2ksh s ASN 23 Ca -0.16 -0.56 0.00 0.00 0.21 0.00 0.00 52.86 52.35 2ksh s ASN 23 Cb 0.05 -2.04 0.00 0.00 -0.55 0.00 0.00 41.25 38.71 2ksh s ASN 23 CO 0.64 -0.23 0.00 -1.14 -2.79 0.00 0.00 177.10 173.58 2ksh n ARG 24 N 5.01 0.00 0.24 0.43 0.63 -1.26 -4.60 116.66 117.11 2ksh n ARG 24 Ca -0.13 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.64 2ksh n ARG 24 Cb 0.49 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.32 2ksh n ARG 24 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 2ksh h GLN 25 N 0.00 -0.54 -2.37 -0.14 4.20 -1.97 -3.46 115.11 110.85 2ksh h GLN 25 Ca 0.00 0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 2ksh h GLN 25 Cb 0.00 0.12 -0.22 0.00 0.30 0.00 0.00 27.48 27.68 2ksh h GLN 25 CO 0.00 -0.32 -0.04 0.54 -0.67 0.00 0.00 178.83 178.34 2ksh s VAL 26 N -5.82 0.00 -0.24 -0.54 0.11 -1.26 -5.16 120.40 107.50 2ksh s VAL 26 Ca -0.16 -0.03 -0.09 0.00 -2.93 0.00 0.00 61.98 58.78 2ksh s VAL 26 Cb 0.04 -0.80 0.11 0.00 -1.53 0.00 0.00 36.38 34.19 2ksh s VAL 26 CO 0.62 -0.02 0.53 -1.61 -3.33 0.00 0.00 175.10 171.29 2ksh s GLU 27 N 0.05 0.45 0.24 1.54 0.41 -1.26 -5.05 118.70 115.07 2ksh s GLU 27 Ca -0.02 1.22 0.01 0.00 -0.41 0.00 0.00 54.97 55.76 2ksh s GLU 27 Cb -0.04 0.55 -0.05 0.00 -1.78 0.00 0.00 34.13 32.82 2ksh s GLU 27 CO 0.02 -0.22 0.12 -1.01 -0.49 0.00 0.00 175.26 173.67 2ksh s HIS 28 N 2.67 1.40 0.25 1.61 3.76 -1.26 -5.04 115.29 118.67 2ksh s HIS 28 Ca -0.04 -1.28 -0.31 0.00 -0.15 0.00 0.00 55.06 53.29 2ksh s HIS 28 Cb -0.12 -0.76 -0.11 0.00 1.11 0.00 0.00 32.58 32.70 2ksh s HIS 28 CO -0.16 -0.47 1.57 0.08 -0.85 0.00 0.00 174.74 174.92 2ksh s VAL 29 N -3.90 2.29 0.02 -0.90 1.01 -1.26 -4.91 120.40 112.75 2ksh s VAL 29 Ca 0.38 0.23 0.05 0.00 0.00 0.00 0.00 61.98 62.64 2ksh s VAL 29 Cb 0.07 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 2ksh s VAL 29 CO 0.13 0.03 -0.14 -0.47 0.00 0.00 0.00 175.10 174.65 2ksh s TYR 30 N 0.37 1.26 -0.10 5.22 6.14 -1.20 -0.79 117.35 128.26 2ksh s TYR 30 Ca 0.65 -0.31 0.03 0.00 0.64 0.00 0.00 57.07 58.08 2ksh s TYR 30 Cb -0.46 -0.77 -0.01 0.00 0.42 0.00 0.00 41.96 41.14 2ksh s TYR 30 CO 0.42 0.02 -0.19 0.15 0.64 0.00 0.00 175.55 176.58 2ksh s LYS 31 N -0.88 3.03 -0.12 4.97 -0.14 -0.62 -0.36 119.74 125.62 2ksh s LYS 31 Ca 0.03 -0.80 0.01 0.00 -1.36 0.00 0.00 55.97 53.86 2ksh s LYS 31 Cb -0.07 -2.40 -0.01 0.00 -1.68 0.00 0.00 37.83 33.67 2ksh s LYS 31 CO 0.01 0.27 -0.17 -0.06 -0.76 0.00 0.00 175.35 174.63 2ksh s PHE 32 N 0.15 2.71 -0.32 3.18 0.40 -0.85 -0.37 117.98 122.89 2ksh s PHE 32 Ca -0.11 -0.85 -0.12 0.00 -0.60 0.00 0.00 56.93 55.25 2ksh s PHE 32 Cb -0.16 -1.80 -0.03 0.00 0.51 0.00 0.00 43.02 41.54 2ksh s PHE 32 CO 0.06 -0.32 0.23 1.03 0.70 0.00 0.00 175.22 176.92 2ksh s ARG 33 N 0.41 3.65 -0.35 0.44 0.52 0.62 -1.75 118.95 122.48 2ksh s ARG 33 Ca -0.13 -0.52 -0.15 0.00 -0.52 0.00 0.00 55.73 54.41 2ksh s ARG 33 Cb -0.17 -3.76 -0.01 0.00 0.52 0.00 0.00 34.95 31.54 2ksh s ARG 33 CO 0.06 -0.36 0.33 0.42 0.02 0.00 0.00 175.30 175.78 2ksh s ILE 34 N 1.75 5.20 0.00 1.52 -1.09 -0.30 -1.76 121.20 126.52 2ksh s ILE 34 Ca 0.07 -0.11 0.01 0.00 -2.23 0.00 0.00 60.65 58.39 2ksh s ILE 34 Cb -0.17 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 36.85 2ksh s ILE 34 CO 0.11 -0.12 0.02 0.42 -1.23 0.00 0.00 174.94 174.14 2ksh s THR 35 N 1.93 4.28 -0.44 2.92 -4.23 -1.13 -0.91 115.64 118.06 2ksh s THR 35 Ca 0.10 -0.58 -0.15 0.00 -1.18 0.00 0.00 61.69 59.88 2ksh s THR 35 Cb -0.17 -2.93 0.05 0.00 1.34 0.00 0.00 72.50 70.79 2ksh s THR 35 CO 0.11 0.36 0.35 -1.58 -0.54 0.00 0.00 174.62 173.32 2ksh s GLN 36 N -1.64 2.96 0.00 3.99 0.74 0.13 -1.86 119.66 123.98 2ksh s GLN 36 Ca 0.21 -1.21 0.00 0.00 0.05 0.00 0.00 55.36 54.40 2ksh s GLN 36 Cb -0.12 -4.05 0.00 0.00 1.10 0.00 0.00 33.01 29.94 2ksh s GLN 36 CO 0.11 -0.91 0.00 0.41 -0.55 0.00 0.00 175.29 174.36 2ksh n GLY 37 N 5.17 1.01 0.00 2.59 0.00 -1.26 -2.95 105.19 109.75 2ksh n GLY 37 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2ksh n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ksh n GLY 38 N 0.00 0.00 3.04 -0.02 0.00 -1.26 -5.05 105.19 101.91 2ksh n GLY 38 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2ksh n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ksh s LYS 39 N 0.00 1.62 0.31 1.61 2.20 -1.15 -5.05 119.74 119.28 2ksh s LYS 39 Ca 0.00 -0.44 -0.27 0.00 -0.36 0.00 0.00 55.97 54.90 2ksh s LYS 39 Cb 0.00 -1.37 -0.14 0.00 -1.51 0.00 0.00 37.83 34.82 2ksh s LYS 39 CO 0.00 0.08 1.01 1.55 -0.36 0.00 0.00 175.35 177.64 2ksh n VAL 40 N 3.60 2.03 0.00 4.02 3.14 -1.26 0.19 118.33 130.05 2ksh n VAL 40 Ca -0.21 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.67 2ksh n VAL 40 Cb 0.52 -1.04 0.00 0.00 -1.06 0.00 0.00 33.84 32.27 2ksh n VAL 40 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2ksh n VAL 41 N 0.12 0.00 -3.53 1.55 0.24 -0.09 -4.72 118.33 111.91 2ksh n VAL 41 Ca 0.09 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.29 2ksh n VAL 41 Cb 0.33 -0.27 -0.03 0.00 -1.47 0.00 0.00 33.84 32.39 2ksh n VAL 41 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2ksh s LYS 42 N -1.48 0.76 -0.06 7.34 2.20 -1.04 -5.06 119.74 122.41 2ksh s LYS 42 Ca 0.00 -0.10 0.02 0.00 -0.36 0.00 0.00 55.97 55.53 2ksh s LYS 42 Cb 0.00 0.36 0.02 0.00 -1.51 0.00 0.00 37.83 36.69 2ksh s LYS 42 CO 0.00 -0.30 -0.10 0.54 -0.36 0.00 0.00 175.35 175.13 2ksh s ASN 43 N -1.88 1.61 0.12 1.43 2.20 -1.26 -1.15 114.94 116.00 2ksh s ASN 43 Ca 0.01 -0.26 0.05 0.00 -0.94 0.00 0.00 52.86 51.71 2ksh s ASN 43 Cb -0.01 -0.75 -0.04 0.00 -2.00 0.00 0.00 41.25 38.46 2ksh s ASN 43 CO -0.04 0.01 0.07 0.26 -2.94 0.00 0.00 177.10 174.46 2ksh s TRP 44 N 0.74 3.09 0.01 1.54 0.52 -0.72 -4.17 118.94 119.95 2ksh s TRP 44 Ca -0.13 -0.00 0.07 0.00 0.02 0.00 0.00 56.10 56.05 2ksh s TRP 44 Cb -0.15 -1.54 -0.03 0.00 -1.15 0.00 0.00 33.47 30.60 2ksh s TRP 44 CO 0.03 0.51 -0.21 0.54 0.02 0.00 0.00 176.95 177.84 2ksh s VAL 45 N -1.52 2.57 -0.25 4.03 0.11 -0.81 -2.01 120.40 122.51 2ksh s VAL 45 Ca 0.29 -1.11 -0.07 0.00 -2.93 0.00 0.00 61.98 58.16 2ksh s VAL 45 Cb -0.11 -2.02 -0.02 0.00 -1.53 0.00 0.00 36.38 32.71 2ksh s VAL 45 CO 0.21 0.45 0.05 -0.32 -3.33 0.00 0.00 175.10 172.16 2ksh s MET 46 N -1.08 3.50 0.00 1.54 1.75 0.52 -2.44 119.30 123.08 2ksh s MET 46 Ca 0.12 -0.58 0.00 0.00 -1.25 0.00 0.00 55.69 53.99 2ksh s MET 46 Cb -0.10 -3.28 0.00 0.00 2.84 0.00 0.00 34.83 34.28 2ksh s MET 46 CO 0.02 -0.24 0.00 -3.47 -0.65 0.00 0.00 175.02 170.68 2ksh n ASP 47 N 4.89 -1.03 0.05 1.11 -0.08 0.21 -3.21 116.55 118.50 2ksh n ASP 47 Ca -0.16 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.12 2ksh n ASP 47 Cb 0.51 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.97 2ksh n ASP 47 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2ksh n LEU 48 N 0.00 -0.79 0.17 -2.67 0.00 -1.26 -4.26 117.00 108.19 2ksh n LEU 48 Ca 0.00 0.20 0.03 0.00 0.00 0.00 0.00 56.01 56.25 2ksh n LEU 48 Cb 0.00 1.01 0.26 0.00 0.00 0.00 0.00 43.42 44.69 2ksh n LEU 48 CO 0.00 -0.38 0.60 0.50 0.00 0.00 0.00 177.39 178.12 2ksh h LYS 49 N 0.00 0.00 0.00 1.96 3.64 -1.96 -3.23 116.57 116.98 2ksh h LYS 49 Ca 0.00 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 2ksh h LYS 49 Cb 0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 2ksh h LYS 49 CO 0.00 0.46 -1.94 -1.71 -2.27 0.00 0.00 179.45 174.00 2ksh n ASN 50 N -3.58 0.93 -2.54 4.20 2.85 -1.26 -5.01 115.26 110.85 2ksh n ASN 50 Ca -0.00 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.31 2ksh n ASN 50 Cb 0.56 1.46 0.05 0.00 1.24 0.00 0.00 39.78 43.10 2ksh n ASN 50 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 2ksh n VAL 51 N -2.31 -2.16 -4.52 3.44 0.31 -1.22 -5.02 118.33 106.85 2ksh n VAL 51 Ca -0.12 -0.03 -0.24 0.00 -0.01 0.00 0.00 64.34 63.93 2ksh n VAL 51 Cb 0.68 -3.24 -0.11 0.00 -0.91 0.00 0.00 33.84 30.27 2ksh n VAL 51 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2ksh s LYS 52 N -5.77 1.78 -0.11 5.55 2.20 -1.26 -4.67 119.74 117.45 2ksh s LYS 52 Ca 0.35 -1.98 0.03 0.00 -0.36 0.00 0.00 55.97 54.00 2ksh s LYS 52 Cb -0.15 -1.27 -0.01 0.00 -1.51 0.00 0.00 37.83 34.89 2ksh s LYS 52 CO 0.48 -0.08 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.68 2ksh s LEU 53 N -3.58 2.33 0.07 5.43 1.02 -1.26 -0.62 118.68 122.07 2ksh s LEU 53 Ca 0.35 -0.46 -0.04 0.00 0.02 0.00 0.00 54.13 53.99 2ksh s LEU 53 Cb 0.08 -1.49 -0.03 0.00 0.02 0.00 0.00 46.19 44.78 2ksh s LEU 53 CO 0.16 0.17 0.06 -0.69 0.02 0.00 0.00 176.35 176.08 2ksh s VAL 54 N 0.29 0.18 -0.60 -1.59 1.01 -1.02 -5.01 120.40 113.66 2ksh s VAL 54 Ca -0.15 -1.57 -0.24 0.00 0.00 0.00 0.00 61.98 60.02 2ksh s VAL 54 Cb -0.17 -1.49 0.05 0.00 0.00 0.00 0.00 36.38 34.77 2ksh s VAL 54 CO 0.07 -0.82 1.01 -1.83 0.00 0.00 0.00 175.10 173.53 2ksh s GLU 55 N -3.91 3.29 0.21 2.72 -1.05 -1.26 -1.93 118.70 116.77 2ksh s GLU 55 Ca 0.07 -0.34 -0.11 0.00 -0.15 0.00 0.00 54.97 54.44 2ksh s GLU 55 Cb 0.07 -4.10 -0.00 0.00 -0.44 0.00 0.00 34.13 29.65 2ksh s GLU 55 CO -0.09 -1.65 0.40 0.45 0.95 0.00 0.00 175.26 175.32 2ksh s SER 56 N 3.13 -0.06 -0.10 0.83 0.15 -1.26 -4.94 113.70 111.45 2ksh s SER 56 Ca 0.30 -0.89 0.17 0.00 0.70 0.00 0.00 55.95 56.24 2ksh s SER 56 Cb -0.13 0.53 0.64 0.00 -1.71 0.00 0.00 66.02 65.36 2ksh s SER 56 CO 0.17 -1.04 1.56 0.47 1.20 0.00 0.00 173.24 175.60 2ksh n ASP 57 N -0.32 4.42 -4.64 5.45 8.00 -1.26 -3.95 116.55 124.24 2ksh n ASP 57 Ca -0.04 -2.45 -0.36 0.00 0.71 0.00 0.00 54.79 52.65 2ksh n ASP 57 Cb 0.63 -0.53 0.09 0.00 -0.02 0.00 0.00 41.12 41.29 2ksh n ASP 57 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2ksh n ASP 58 N 0.85 0.77 -4.85 -2.24 2.03 -1.26 -4.98 116.55 106.88 2ksh n ASP 58 Ca 0.23 0.68 -0.33 0.00 0.52 0.00 0.00 54.79 55.90 2ksh n ASP 58 Cb 0.83 -1.44 -0.06 0.00 -0.72 0.00 0.00 41.12 39.73 2ksh n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ksh s ALA 59 N -1.78 3.35 0.21 -1.67 0.00 -1.26 -4.91 121.76 115.70 2ksh s ALA 59 Ca 0.75 0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.81 2ksh s ALA 59 Cb -0.35 -2.75 -0.05 0.00 0.00 0.00 0.00 23.12 19.97 2ksh s ALA 59 CO 0.49 0.34 -0.10 0.00 0.00 0.00 0.00 175.76 176.49 2ksh s ALA 60 N -1.92 1.94 0.61 0.00 0.00 -1.26 -4.89 121.76 116.23 2ksh s ALA 60 Ca 0.52 -1.69 0.43 0.00 0.00 0.00 0.00 51.96 51.23 2ksh s ALA 60 Cb -0.11 0.08 2.31 0.00 0.00 0.00 0.00 23.12 25.40 2ksh s ALA 60 CO 0.18 -0.04 2.34 0.93 0.00 0.00 0.00 175.76 179.17 2ksh h GLU 61 N 2.53 0.00 -3.06 0.00 4.39 -1.31 -3.43 114.58 113.70 2ksh h GLU 61 Ca -0.38 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.25 2ksh h GLU 61 Cb 1.22 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.71 2ksh h GLU 61 CO 0.64 0.00 -0.09 0.00 -1.16 0.00 0.00 179.01 178.40 2ksh s ALA 62 N -4.13 -1.02 -0.08 3.43 0.00 -1.25 -2.69 121.76 116.01 2ksh s ALA 62 Ca -0.04 0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.22 2ksh s ALA 62 Cb 0.13 0.39 0.01 0.00 0.00 0.00 0.00 23.12 23.66 2ksh s ALA 62 CO 0.43 -0.48 -0.14 0.99 0.00 0.00 0.00 175.76 176.56 2ksh s THR 63 N -2.65 1.30 -0.31 0.00 2.01 -0.37 -1.59 115.64 114.03 2ksh s THR 63 Ca -0.04 -0.55 -0.01 0.00 0.31 0.00 0.00 61.69 61.39 2ksh s THR 63 Cb -0.00 -1.19 0.06 0.00 0.01 0.00 0.00 72.50 71.37 2ksh s THR 63 CO -0.04 0.40 0.01 -0.76 -0.69 0.00 0.00 174.62 173.54 2ksh s LEU 64 N 0.83 4.02 -0.23 4.42 1.43 0.51 -0.82 118.68 128.83 2ksh s LEU 64 Ca -0.11 -1.38 -0.10 0.00 -1.03 0.00 0.00 54.13 51.51 2ksh s LEU 64 Cb -0.15 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 2ksh s LEU 64 CO 0.02 -0.28 0.15 -0.89 0.23 0.00 0.00 176.35 175.57 2ksh s THR 65 N 1.22 5.33 -0.04 5.49 2.01 -1.15 -0.28 115.64 128.22 2ksh s THR 65 Ca -0.04 0.17 -0.29 0.00 0.31 0.00 0.00 61.69 61.84 2ksh s THR 65 Cb -0.20 -3.47 0.07 0.00 0.01 0.00 0.00 72.50 68.90 2ksh s THR 65 CO -0.02 0.37 0.64 -0.04 -0.69 0.00 0.00 174.62 174.88 2ksh s MET 66 N 0.91 1.03 1.05 4.92 -1.94 -0.72 -3.27 119.30 121.28 2ksh s MET 66 Ca 0.07 0.20 -0.12 0.00 -1.71 0.00 0.00 55.69 54.13 2ksh s MET 66 Cb -0.13 0.48 0.22 0.00 2.01 0.00 0.00 34.83 37.41 2ksh s MET 66 CO 0.03 -0.32 1.07 -1.21 -0.01 0.00 0.00 175.02 174.58 2ksh s GLU 67 N -1.25 0.02 0.03 2.03 2.02 -1.26 -2.83 118.70 117.46 2ksh s GLU 67 Ca -0.11 0.62 -0.23 0.00 0.02 0.00 0.00 54.97 55.27 2ksh s GLU 67 Cb -0.00 -1.68 -0.16 0.00 0.10 0.00 0.00 34.13 32.39 2ksh s GLU 67 CO 0.09 -3.03 1.43 0.22 0.02 0.00 0.00 175.26 173.98 2ksh h ASP 68 N -2.12 0.14 0.35 -0.19 1.82 -1.74 0.35 116.42 115.03 2ksh h ASP 68 Ca -0.57 -0.35 -0.07 0.00 -0.39 0.00 0.00 57.03 55.65 2ksh h ASP 68 Cb 1.33 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 41.29 2ksh h ASP 68 CO 0.55 0.46 -0.35 0.44 -1.61 0.00 0.00 179.24 178.73 2ksh h ASP 69 N -0.18 0.01 0.01 2.28 3.32 -1.93 -2.56 116.42 117.37 2ksh h ASP 69 Ca 0.02 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 2ksh h ASP 69 Cb 0.39 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2ksh h ASP 69 CO 0.01 0.36 -0.01 0.40 -1.72 0.00 0.00 179.24 178.28 2ksh h ILE 70 N 0.00 1.48 -0.53 0.35 1.08 -1.89 -3.16 117.51 114.84 2ksh h ILE 70 Ca -0.00 -1.99 0.15 0.00 -0.39 0.00 0.00 64.86 62.63 2ksh h ILE 70 Cb 0.62 2.74 -0.02 0.00 -3.07 0.00 0.00 36.82 37.09 2ksh h ILE 70 CO 0.05 0.48 0.41 -0.03 -0.69 0.00 0.00 178.15 178.37 2ksh h MET 71 N -0.94 0.00 -0.20 2.37 4.05 -0.29 0.65 114.93 120.57 2ksh h MET 71 Ca -0.00 0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.23 2ksh h MET 71 Cb 0.80 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.60 2ksh h MET 71 CO 0.00 0.00 -0.64 0.35 0.23 0.00 0.00 176.91 176.86 2ksh h PHE 72 N 0.00 0.92 -0.04 1.39 3.57 -1.52 0.58 116.94 121.85 2ksh h PHE 72 Ca 0.25 -0.36 0.00 0.00 3.53 0.00 0.00 57.97 61.39 2ksh h PHE 72 Cb 1.08 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.65 2ksh h PHE 72 CO 0.00 1.16 0.02 0.00 -2.23 0.00 0.00 178.31 177.26 2ksh h ALA 73 N 0.76 0.04 0.00 2.41 0.00 -0.83 -1.51 119.26 120.12 2ksh h ALA 73 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ksh h ALA 73 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2ksh h ALA 73 CO 0.13 -0.47 -0.55 0.82 0.00 0.00 0.00 179.25 179.18 2ksh h ILE 74 N 0.04 0.00 -0.11 0.00 5.03 -1.54 0.55 117.51 121.47 2ksh h ILE 74 Ca 0.01 -0.80 -0.17 0.00 -0.12 0.00 0.00 64.86 63.79 2ksh h ILE 74 Cb 0.00 1.49 -0.01 0.00 -3.03 0.00 0.00 36.82 35.28 2ksh h ILE 74 CO -0.01 0.00 -0.65 1.23 -0.68 0.00 0.00 178.15 178.03 2ksh h GLY 75 N 4.20 0.49 -2.15 5.37 0.00 0.45 -3.10 103.07 108.34 2ksh h GLY 75 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.69 2ksh h GLY 75 CO 0.00 0.57 0.00 -0.37 0.00 0.00 0.00 176.54 176.74 2ksh n THR 76 N -3.89 0.48 -0.47 4.70 5.66 -0.59 -4.92 114.28 115.25 2ksh n THR 76 Ca -0.04 -0.70 0.00 0.00 -3.05 0.00 0.00 64.05 60.26 2ksh n THR 76 Cb 0.66 0.90 0.00 0.00 -1.55 0.00 0.00 70.33 70.34 2ksh n THR 76 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ksh n GLY 77 N 1.47 1.31 0.01 1.09 0.00 -1.17 -4.95 105.19 102.95 2ksh n GLY 77 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.21 2ksh n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ksh h ALA 78 N 0.00 -0.52 -2.82 4.61 0.00 -0.39 -3.42 119.26 116.72 2ksh h ALA 78 Ca 0.00 -0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 2ksh h ALA 78 Cb 0.00 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 2ksh h ALA 78 CO 0.00 -0.52 -0.51 -0.51 0.00 0.00 0.00 179.25 177.71 2ksh s LEU 79 N -5.15 4.28 0.14 0.00 1.43 0.12 -4.95 118.68 114.54 2ksh s LEU 79 Ca -0.00 0.35 -0.31 0.00 -1.03 0.00 0.00 54.13 53.13 2ksh s LEU 79 Cb 0.00 -2.38 -0.08 0.00 0.03 0.00 0.00 46.19 43.76 2ksh s LEU 79 CO 0.02 0.31 1.34 -2.16 0.23 0.00 0.00 176.35 176.09 2ksh s PRO 80 N -1.61 4.35 0.57 1.29 0.04 -1.26 -3.76 135.00 134.62 2ksh s PRO 80 Ca 0.23 2.04 0.27 0.00 0.04 0.00 0.00 61.00 63.58 2ksh s PRO 80 Cb -0.12 -3.24 1.69 0.00 0.04 0.00 0.00 34.50 32.87 2ksh s PRO 80 CO 0.13 -0.36 2.22 0.00 0.04 0.00 0.00 177.00 179.04 2ksh h ALA 81 N 6.29 1.59 0.53 8.56 0.00 -1.96 -2.50 119.26 131.78 2ksh h ALA 81 Ca -0.43 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 2ksh h ALA 81 Cb 1.21 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.00 2ksh h ALA 81 CO 0.83 0.02 -0.26 -0.22 0.00 0.00 0.00 179.25 179.62 2ksh h LYS 82 N 0.00 -0.69 -0.03 0.00 3.64 -1.99 -2.27 116.57 115.22 2ksh h LYS 82 Ca -0.00 0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 2ksh h LYS 82 Cb 0.03 0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 2ksh h LYS 82 CO 0.00 -0.39 -0.16 0.93 -2.27 0.00 0.00 179.45 177.57 2ksh h GLU 83 N -1.02 -0.23 -0.99 1.90 4.39 -1.91 -0.82 114.58 115.90 2ksh h GLU 83 Ca -0.07 0.02 0.20 0.00 0.34 0.00 0.00 59.36 59.84 2ksh h GLU 83 Cb 0.62 0.05 -0.11 0.00 -0.10 0.00 0.00 28.75 29.22 2ksh h GLU 83 CO 0.12 -0.16 0.58 0.00 -1.16 0.00 0.00 179.01 178.39 2ksh h ALA 84 N 0.72 1.65 -0.18 3.43 0.00 -1.52 0.35 119.26 123.73 2ksh h ALA 84 Ca 0.06 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 2ksh h ALA 84 Cb 0.33 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2ksh h ALA 84 CO -0.18 -0.12 -0.47 0.52 0.00 0.00 0.00 179.25 179.00 2ksh h MET 85 N 0.69 0.45 0.00 0.00 2.86 -0.73 -1.85 114.93 116.35 2ksh h MET 85 Ca 0.59 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.96 2ksh h MET 85 Cb 0.97 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.64 2ksh h MET 85 CO -0.41 0.83 -0.07 0.00 1.06 0.00 0.00 176.91 178.31 2ksh h ALA 86 N 1.14 0.97 -0.36 6.32 0.00 0.75 -2.99 119.26 125.08 2ksh h ALA 86 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2ksh h ALA 86 Cb 0.96 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2ksh h ALA 86 CO 0.08 0.09 0.00 1.04 0.00 0.00 0.00 179.25 180.46 2ksh n GLN 87 N -3.13 1.90 -1.80 0.00 6.02 0.92 -4.88 117.38 116.41 2ksh n GLN 87 Ca 0.03 -1.31 -0.18 0.00 -0.01 0.00 0.00 57.00 55.52 2ksh n GLN 87 Cb 0.49 -1.32 -0.06 0.00 1.02 0.00 0.00 30.24 30.38 2ksh n GLN 87 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2ksh n ASP 88 N 0.54 -4.98 -0.78 1.08 2.03 -1.13 -4.81 116.55 108.50 2ksh n ASP 88 Ca 0.12 0.33 0.12 0.00 0.52 0.00 0.00 54.79 55.89 2ksh n ASP 88 Cb 0.33 -4.37 0.29 0.00 -0.72 0.00 0.00 41.12 36.65 2ksh n ASP 88 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ksh n LYS 89 N -2.44 2.06 -3.57 -0.67 5.02 -0.72 -4.92 118.16 112.93 2ksh n LYS 89 Ca -0.19 -1.56 -0.15 0.00 -2.02 0.00 0.00 58.31 54.38 2ksh n LYS 89 Cb 0.62 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 34.10 2ksh n LYS 89 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ksh s MET 90 N -1.90 0.91 0.21 1.97 0.23 -1.19 -4.72 119.30 114.80 2ksh s MET 90 Ca 0.33 0.51 0.05 0.00 -1.03 0.00 0.00 55.69 55.56 2ksh s MET 90 Cb 0.20 0.43 -0.05 0.00 -1.53 0.00 0.00 34.83 33.89 2ksh s MET 90 CO 0.31 -0.22 -0.08 -2.00 -2.03 0.00 0.00 175.02 171.00 2ksh s GLU 91 N -0.57 1.29 -0.03 3.16 2.12 -1.20 -4.55 118.70 118.92 2ksh s GLU 91 Ca -0.06 -1.61 -0.03 0.00 0.36 0.00 0.00 54.97 53.64 2ksh s GLU 91 Cb -0.02 -0.85 0.01 0.00 0.26 0.00 0.00 34.13 33.53 2ksh s GLU 91 CO 0.05 0.05 0.08 0.08 -0.54 0.00 0.00 175.26 174.99 2ksh s VAL 92 N -3.20 0.01 0.25 3.70 1.01 -1.26 -2.94 120.40 117.97 2ksh s VAL 92 Ca 0.24 -0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.16 2ksh s VAL 92 Cb 0.03 -0.16 -0.05 0.00 0.00 0.00 0.00 36.38 36.19 2ksh s VAL 92 CO 0.06 -0.06 -0.06 -0.62 0.00 0.00 0.00 175.10 174.42 2ksh s ASP 93 N -0.16 2.48 0.00 3.32 -1.08 0.00 -4.95 116.67 116.29 2ksh s ASP 93 Ca -0.02 -1.16 0.00 0.00 -0.52 0.00 0.00 52.55 50.84 2ksh s ASP 93 Cb -0.02 -0.12 0.00 0.00 -1.46 0.00 0.00 42.92 41.33 2ksh s ASP 93 CO 0.00 -0.36 0.00 0.61 0.52 0.00 0.00 175.17 175.95 2ksh n GLY 94 N -0.50 0.94 3.42 2.66 0.00 -1.26 -1.23 105.19 109.22 2ksh n GLY 94 Ca -0.06 -1.45 -0.44 0.00 0.00 0.00 0.00 46.02 44.07 2ksh n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ksh s GLN 95 N 0.00 3.09 0.62 1.61 1.11 -1.10 -4.88 119.66 120.11 2ksh s GLN 95 Ca 0.00 -1.05 0.31 0.00 0.01 0.00 0.00 55.36 54.64 2ksh s GLN 95 Cb 0.00 -4.25 1.73 0.00 -1.01 0.00 0.00 33.01 29.48 2ksh s GLN 95 CO 0.00 -1.71 2.05 0.28 0.01 0.00 0.00 175.29 175.92 2ksh h VAL 96 N 5.95 0.24 -0.07 1.09 2.07 -1.94 0.12 116.25 123.72 2ksh h VAL 96 Ca -0.29 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.06 2ksh h VAL 96 Cb 1.08 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 2ksh h VAL 96 CO 1.15 0.00 -0.70 1.05 0.02 0.00 0.00 177.57 179.09 2ksh h GLU 97 N 0.00 0.33 0.02 1.57 4.11 -2.00 -3.16 114.58 115.44 2ksh h GLU 97 Ca 0.07 -0.26 -0.20 0.00 0.07 0.00 0.00 59.36 59.03 2ksh h GLU 97 Cb 0.58 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2ksh h GLU 97 CO -0.00 0.90 -0.92 -0.07 0.07 0.00 0.00 179.01 178.99 2ksh h LEU 98 N 0.23 0.18 -0.18 3.06 3.38 -1.18 -3.18 115.31 117.62 2ksh h LEU 98 Ca -0.02 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.83 2ksh h LEU 98 Cb 1.26 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 2ksh h LEU 98 CO 0.12 1.00 -0.06 0.40 0.09 0.00 0.00 178.44 179.98 2ksh h ILE 99 N 0.06 0.78 -0.10 1.22 1.08 -1.40 -1.58 117.51 117.57 2ksh h ILE 99 Ca -0.04 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.38 2ksh h ILE 99 Cb 1.58 0.78 -0.01 0.00 -3.07 0.00 0.00 36.82 36.10 2ksh h ILE 99 CO 0.13 0.00 -0.17 -0.26 -0.69 0.00 0.00 178.15 177.16 2ksh h PHE 100 N -0.03 0.18 0.00 1.37 -1.00 -1.63 -1.74 116.94 114.08 2ksh h PHE 100 Ca 0.09 -0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.85 2ksh h PHE 100 Cb 0.17 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 39.68 2ksh h PHE 100 CO -0.22 0.34 -0.01 -0.07 -1.61 0.00 0.00 178.31 176.74 2ksh h LEU 101 N 0.16 0.00 0.11 1.54 3.38 -1.28 -2.56 115.31 116.67 2ksh h LEU 101 Ca 0.03 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.68 2ksh h LEU 101 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2ksh h LEU 101 CO 0.03 0.01 -1.71 -0.07 0.09 0.00 0.00 178.44 176.79 2ksh h LEU 102 N 0.00 0.37 -0.79 1.67 3.38 -0.88 -3.32 115.31 115.74 2ksh h LEU 102 Ca -0.00 -0.62 0.09 0.00 0.09 0.00 0.00 57.88 57.43 2ksh h LEU 102 Cb 0.28 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 40.80 2ksh h LEU 102 CO 0.00 1.54 -0.42 -0.62 0.09 0.00 0.00 178.44 179.03 2ksh n GLU 103 N -3.42 -0.30 0.12 1.13 1.02 -0.96 0.10 120.64 118.33 2ksh n GLU 103 Ca -0.22 1.20 -0.01 0.00 -0.02 0.00 0.00 57.16 58.11 2ksh n GLU 103 Cb 1.05 -1.76 0.22 0.00 -0.02 0.00 0.00 31.44 30.93 2ksh n GLU 103 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2ksh h PRO 104 N 0.00 0.14 -0.18 3.49 0.13 -1.74 -2.97 132.00 130.87 2ksh h PRO 104 Ca 0.17 -0.07 0.04 0.00 -0.87 0.00 0.00 66.00 65.26 2ksh h PRO 104 Cb 0.37 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 2ksh h PRO 104 CO -0.75 0.59 0.12 0.35 -0.23 0.00 0.00 178.00 178.08 2ksh h PHE 105 N 0.11 0.07 -0.13 1.56 3.57 0.58 -0.69 116.94 122.02 2ksh h PHE 105 Ca 0.00 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.54 2ksh h PHE 105 Cb 0.89 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 2ksh h PHE 105 CO 0.01 0.04 0.12 0.82 -2.23 0.00 0.00 178.31 177.07 2ksh h ILE 106 N 0.07 0.62 0.00 1.41 2.04 -1.02 0.14 117.51 120.78 2ksh h ILE 106 Ca 0.08 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 2ksh h ILE 106 Cb 0.23 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 2ksh h ILE 106 CO -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 178.15 178.05 2ksh h ALA 107 N 1.88 1.37 0.05 1.87 0.00 -1.30 -3.20 119.26 119.93 2ksh h ALA 107 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ksh h ALA 107 Cb 0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2ksh h ALA 107 CO -0.00 0.12 -0.16 1.03 0.00 0.00 0.00 179.25 180.23 2ksh h SER 108 N 0.00 -0.49 -0.73 0.00 0.87 -1.11 -3.32 113.55 108.77 2ksh h SER 108 Ca -0.00 0.05 -0.26 0.00 -1.23 0.00 0.00 61.79 60.35 2ksh h SER 108 Cb 0.25 0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.35 2ksh h SER 108 CO 0.01 -0.18 0.65 -1.48 -0.53 0.00 0.00 176.83 175.30 2ksh s LEU 109 N -6.51 3.12 0.00 2.23 2.34 -1.21 -5.17 118.68 113.48 2ksh s LEU 109 Ca -0.05 -0.48 0.00 0.00 0.06 0.00 0.00 54.13 53.66 2ksh s LEU 109 Cb 0.02 -2.56 0.00 0.00 -0.56 0.00 0.00 46.19 43.09 2ksh s LEU 109 CO 0.19 -2.93 0.39 1.17 -1.06 0.00 0.00 176.35 174.11