#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 1.33 0.00 3.17 1.04 -1.26 -5.15 113.70 112.84 2ksh s SER 2 Ca 0.00 -0.30 0.04 0.00 0.48 0.00 0.00 55.95 56.17 2ksh s SER 2 Cb 0.00 -0.11 -0.03 0.00 0.10 0.00 0.00 66.02 65.97 2ksh s SER 2 CO 0.00 0.07 -0.09 -0.76 0.98 0.00 0.00 173.24 173.45 2ksh s LEU 3 N -0.63 3.07 0.38 2.42 1.43 -1.26 -5.01 118.68 119.08 2ksh s LEU 3 Ca 0.02 -0.18 0.05 0.00 -1.03 0.00 0.00 54.13 52.99 2ksh s LEU 3 Cb -0.06 -1.76 0.76 0.00 0.03 0.00 0.00 46.19 45.17 2ksh s LEU 3 CO 0.00 0.29 2.03 0.11 0.23 0.00 0.00 176.35 179.01 2ksh h LYS 4 N 4.61 0.68 -0.50 1.70 1.57 -2.01 -1.40 116.57 121.22 2ksh h LYS 4 Ca -0.48 -0.04 0.14 0.00 -1.87 0.00 0.00 60.65 58.40 2ksh h LYS 4 Cb 1.17 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 2ksh h LYS 4 CO 0.53 0.45 0.37 0.66 -0.57 0.00 0.00 179.45 180.88 2ksh h SER 5 N 0.70 0.00 -1.00 0.86 4.64 -1.95 -0.57 113.55 116.23 2ksh h SER 5 Ca 0.20 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.63 2ksh h SER 5 Cb -0.05 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 61.96 2ksh h SER 5 CO -0.05 0.00 0.63 0.44 -0.87 0.00 0.00 176.83 176.99 2ksh h ASP 6 N 0.00 0.93 -0.75 4.97 5.19 -1.67 -0.05 116.42 125.04 2ksh h ASP 6 Ca 0.24 0.04 0.03 0.00 -0.62 0.00 0.00 57.03 56.72 2ksh h ASP 6 Cb 0.97 -0.15 -0.04 0.00 0.18 0.00 0.00 39.33 40.29 2ksh h ASP 6 CO -0.00 0.51 0.50 -0.33 -3.12 0.00 0.00 179.24 176.79 2ksh h GLU 7 N 1.01 0.89 0.04 3.56 4.39 -1.25 0.27 114.58 123.48 2ksh h GLU 7 Ca 0.49 -0.05 -0.23 0.00 0.34 0.00 0.00 59.36 59.90 2ksh h GLU 7 Cb 0.46 -0.20 0.02 0.00 -0.10 0.00 0.00 28.75 28.93 2ksh h GLU 7 CO -0.25 0.59 -0.93 0.28 -1.16 0.00 0.00 179.01 177.54 2ksh h VAL 8 N 0.92 1.35 -0.59 3.13 2.07 -1.18 -2.89 116.25 119.06 2ksh h VAL 8 Ca 0.30 -2.26 -0.08 0.00 0.82 0.00 0.00 66.70 65.48 2ksh h VAL 8 Cb 0.05 2.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 2ksh h VAL 8 CO -0.09 0.68 0.05 -0.26 0.02 0.00 0.00 177.57 177.98 2ksh h PHE 9 N 0.14 1.08 0.11 1.57 0.04 -0.66 -0.81 116.94 118.40 2ksh h PHE 9 Ca -0.13 -0.17 -0.01 0.00 2.80 0.00 0.00 57.97 60.47 2ksh h PHE 9 Cb 1.62 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 39.48 2ksh h PHE 9 CO 0.13 0.95 -0.05 0.00 -0.60 0.00 0.00 178.31 178.73 2ksh h ALA 10 N 1.00 -0.15 -0.52 2.45 0.00 -0.56 0.22 119.26 121.69 2ksh h ALA 10 Ca 0.17 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2ksh h ALA 10 Cb 0.48 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2ksh h ALA 10 CO 0.02 -0.54 0.16 1.57 0.00 0.00 0.00 179.25 180.46 2ksh h LYS 11 N -0.24 0.78 -0.27 0.00 2.10 -1.46 -2.28 116.57 115.19 2ksh h LYS 11 Ca -0.02 -0.14 -0.12 0.00 -2.00 0.00 0.00 60.65 58.38 2ksh h LYS 11 Cb 0.20 -0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 31.40 2ksh h LYS 11 CO 0.03 0.68 -0.29 0.82 -2.00 0.00 0.00 179.45 178.68 2ksh h ILE 12 N 0.76 1.31 0.18 0.07 2.04 -0.91 -2.40 117.51 118.55 2ksh h ILE 12 Ca 0.17 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.57 2ksh h ILE 12 Cb 0.23 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 2ksh h ILE 12 CO -0.01 0.47 -0.16 0.00 0.00 0.00 0.00 178.15 178.45 2ksh h ALA 13 N 0.69 -0.33 -0.77 1.87 0.00 -0.31 -0.72 119.26 119.69 2ksh h ALA 13 Ca 0.04 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2ksh h ALA 13 Cb 0.87 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 2ksh h ALA 13 CO 0.07 -0.71 0.48 -0.22 0.00 0.00 0.00 179.25 178.87 2ksh h LYS 14 N -0.36 0.88 0.00 0.00 3.64 -1.47 -1.03 116.57 118.24 2ksh h LYS 14 Ca -0.00 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 2ksh h LYS 14 Cb 0.34 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2ksh h LYS 14 CO -0.03 0.58 -0.15 -0.09 -2.27 0.00 0.00 179.45 177.49 2ksh h ARG 15 N 0.91 0.00 0.00 1.90 1.12 -1.09 -0.77 114.38 116.45 2ksh h ARG 15 Ca 0.32 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.19 2ksh h ARG 15 Cb 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.03 2ksh h ARG 15 CO -0.13 0.15 0.00 1.28 -3.11 0.00 0.00 179.97 178.16 2ksh n LEU 16 N -4.19 0.08 0.10 3.80 4.77 -0.31 -2.58 117.00 118.67 2ksh n LEU 16 Ca -0.02 0.51 0.13 0.00 -0.03 0.00 0.00 56.01 56.60 2ksh n LEU 16 Cb 0.23 -0.49 0.44 0.00 -2.33 0.00 0.00 43.42 41.26 2ksh n LEU 16 CO 0.35 -0.15 0.89 -0.62 -1.33 0.00 0.00 177.39 176.53 2ksh n GLU 17 N -1.58 0.22 0.00 3.23 1.02 -0.29 -2.88 120.64 120.36 2ksh n GLU 17 Ca 0.05 0.21 0.12 0.00 -0.02 0.00 0.00 57.16 57.53 2ksh n GLU 17 Cb 0.26 -1.78 0.12 0.00 -0.02 0.00 0.00 31.44 30.02 2ksh n GLU 17 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2ksh n SER 18 N -2.17 2.88 -4.73 1.62 7.64 -1.06 -4.98 113.62 112.82 2ksh n SER 18 Ca 0.05 -1.95 -0.41 0.00 1.01 0.00 0.00 58.87 57.57 2ksh n SER 18 Cb 0.40 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 2ksh n SER 18 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2ksh n ILE 19 N 1.23 2.23 -4.41 0.44 2.08 -1.14 -5.01 119.36 114.77 2ksh n ILE 19 Ca 0.14 -0.50 -0.28 0.00 0.56 0.00 0.00 62.75 62.67 2ksh n ILE 19 Cb 0.58 -1.73 -0.12 0.00 -0.75 0.00 0.00 39.64 37.62 2ksh n ILE 19 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 2ksh s ASP 20 N -0.33 3.43 0.13 4.38 1.11 -1.26 -5.05 116.67 119.08 2ksh s ASP 20 Ca 0.57 -0.82 -0.12 0.00 0.18 0.00 0.00 52.55 52.36 2ksh s ASP 20 Cb -0.51 -0.26 -0.05 0.00 1.07 0.00 0.00 42.92 43.17 2ksh s ASP 20 CO 0.61 0.14 1.46 1.55 1.18 0.00 0.00 175.17 180.12 2ksh h PRO 21 N 3.42 0.88 0.39 8.23 0.13 -2.03 -3.29 132.00 139.73 2ksh h PRO 21 Ca -0.48 -0.46 -0.02 0.00 -0.87 0.00 0.00 66.00 64.17 2ksh h PRO 21 Cb 1.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2ksh h PRO 21 CO 0.45 1.11 -0.19 0.00 -0.23 0.00 0.00 178.00 179.14 2ksh h ALA 22 N 0.76 -0.52 -2.10 -0.56 0.00 -2.03 -3.40 119.26 111.41 2ksh h ALA 22 Ca 0.06 -0.14 -0.60 0.00 0.00 0.00 0.00 54.91 54.23 2ksh h ALA 22 Cb 0.94 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 2ksh h ALA 22 CO 0.09 -0.75 0.53 -0.80 0.00 0.00 0.00 179.25 178.32 2ksh s ASN 23 N -4.79 6.66 0.00 0.00 0.01 -1.24 -4.95 114.94 110.63 2ksh s ASN 23 Ca -0.16 0.56 0.00 0.00 -0.71 0.00 0.00 52.86 52.56 2ksh s ASN 23 Cb 0.04 -2.44 0.00 0.00 0.41 0.00 0.00 41.25 39.25 2ksh s ASN 23 CO 0.62 -0.79 0.00 -1.14 -1.51 0.00 0.00 177.10 174.27 2ksh n ARG 24 N 6.61 -1.45 0.00 -0.60 0.63 -1.26 -4.34 116.66 116.25 2ksh n ARG 24 Ca 0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 2ksh n ARG 24 Cb 0.48 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.39 2ksh n ARG 24 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2ksh n GLN 25 N -0.00 0.00 -3.64 -0.14 -0.06 -1.26 -5.14 117.38 107.13 2ksh n GLN 25 Ca 0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 57.00 54.92 2ksh n GLN 25 Cb 0.00 -0.01 -0.07 0.00 -4.06 0.00 0.00 30.24 26.10 2ksh n GLN 25 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2ksh s VAL 26 N -1.44 0.00 -0.10 1.69 0.11 -1.26 -5.16 120.40 114.24 2ksh s VAL 26 Ca 0.00 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.01 2ksh s VAL 26 Cb 0.00 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.90 2ksh s VAL 26 CO 0.00 0.00 0.19 -1.61 -3.33 0.00 0.00 175.10 170.35 2ksh s GLU 27 N 0.47 0.07 0.03 1.54 0.41 -1.26 -5.11 118.70 114.85 2ksh s GLU 27 Ca 0.01 0.62 0.03 0.00 -0.41 0.00 0.00 54.97 55.22 2ksh s GLU 27 Cb -0.05 -0.20 -0.02 0.00 -1.78 0.00 0.00 34.13 32.09 2ksh s GLU 27 CO -0.08 -0.30 -0.09 -3.38 -0.49 0.00 0.00 175.26 170.92 2ksh s HIS 28 N 2.33 0.75 0.22 1.61 -3.43 -1.26 -5.05 115.29 110.46 2ksh s HIS 28 Ca 0.02 -0.36 -0.31 0.00 -0.80 0.00 0.00 55.06 53.61 2ksh s HIS 28 Cb -0.12 -0.45 -0.11 0.00 -1.43 0.00 0.00 32.58 30.46 2ksh s HIS 28 CO -0.07 -0.03 1.64 0.08 -2.00 0.00 0.00 174.74 174.36 2ksh s VAL 29 N -0.93 2.22 0.01 -5.38 1.01 -1.26 -4.97 120.40 111.10 2ksh s VAL 29 Ca -0.04 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.15 2ksh s VAL 29 Cb -0.07 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 2ksh s VAL 29 CO 0.00 0.02 -0.13 -0.31 0.00 0.00 0.00 175.10 174.68 2ksh s TYR 30 N 0.84 1.16 -0.10 5.22 1.51 -1.24 -2.30 117.35 122.43 2ksh s TYR 30 Ca 0.70 -0.27 -0.04 0.00 -1.01 0.00 0.00 57.07 56.45 2ksh s TYR 30 Cb -0.47 -0.72 -0.04 0.00 -0.11 0.00 0.00 41.96 40.62 2ksh s TYR 30 CO 0.36 0.00 0.06 0.21 -1.11 0.00 0.00 175.55 175.07 2ksh s LYS 31 N -0.63 3.21 -0.13 -0.62 2.20 -0.66 -1.85 119.74 121.26 2ksh s LYS 31 Ca 0.03 -0.29 0.02 0.00 -0.36 0.00 0.00 55.97 55.38 2ksh s LYS 31 Cb -0.06 -2.97 0.01 0.00 -1.51 0.00 0.00 37.83 33.29 2ksh s LYS 31 CO 0.00 0.71 -0.21 -0.06 -0.36 0.00 0.00 175.35 175.43 2ksh s PHE 32 N -0.88 2.67 -0.25 4.03 0.08 -0.40 0.28 117.98 123.52 2ksh s PHE 32 Ca 0.13 -1.23 -0.02 0.00 0.12 0.00 0.00 56.93 55.93 2ksh s PHE 32 Cb -0.12 -1.81 0.02 0.00 -0.57 0.00 0.00 43.02 40.55 2ksh s PHE 32 CO 0.03 -0.55 -0.06 1.03 -0.10 0.00 0.00 175.22 175.57 2ksh s ARG 33 N 0.72 2.86 -0.26 0.44 0.52 0.71 0.06 118.95 124.00 2ksh s ARG 33 Ca -0.09 -0.96 -0.15 0.00 -0.52 0.00 0.00 55.73 54.01 2ksh s ARG 33 Cb -0.16 -2.99 -0.04 0.00 0.52 0.00 0.00 34.95 32.28 2ksh s ARG 33 CO 0.00 -0.39 0.38 0.42 0.02 0.00 0.00 175.30 175.74 2ksh s ILE 34 N 1.33 5.17 0.07 1.52 -1.09 -0.83 -1.86 121.20 125.51 2ksh s ILE 34 Ca 0.00 0.60 0.07 0.00 -2.23 0.00 0.00 60.65 59.09 2ksh s ILE 34 Cb -0.16 -3.71 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 2ksh s ILE 34 CO -0.04 0.16 -0.13 0.42 -1.23 0.00 0.00 174.94 174.12 2ksh s THR 35 N 2.03 3.18 -0.56 2.92 -4.23 -1.12 -1.15 115.64 116.71 2ksh s THR 35 Ca 0.16 -1.18 -0.17 0.00 -1.18 0.00 0.00 61.69 59.31 2ksh s THR 35 Cb -0.16 -2.42 0.12 0.00 1.34 0.00 0.00 72.50 71.38 2ksh s THR 35 CO 0.10 0.23 0.59 -1.58 -0.54 0.00 0.00 174.62 173.42 2ksh s GLN 36 N -1.81 3.01 0.00 3.99 0.74 0.14 -2.29 119.66 123.44 2ksh s GLN 36 Ca 0.18 -1.53 0.00 0.00 0.05 0.00 0.00 55.36 54.06 2ksh s GLN 36 Cb -0.11 -4.28 0.00 0.00 1.10 0.00 0.00 33.01 29.72 2ksh s GLN 36 CO 0.09 -1.42 0.00 0.41 -0.55 0.00 0.00 175.29 173.83 2ksh n GLY 37 N 5.26 2.17 0.00 2.59 0.00 -1.26 -2.93 105.19 111.02 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 3.31 -0.02 0.00 -1.26 -5.03 105.19 102.19 2ksh n GLY 38 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2ksh n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ksh s LYS 39 N 0.00 3.31 0.36 1.61 0.00 -1.15 -5.02 119.74 118.85 2ksh s LYS 39 Ca 0.00 -0.70 -0.27 0.00 0.00 0.00 0.00 55.97 55.00 2ksh s LYS 39 Cb 0.00 -2.71 -0.12 0.00 0.00 0.00 0.00 37.83 35.00 2ksh s LYS 39 CO 0.00 0.03 1.29 1.55 0.00 0.00 0.00 175.35 178.22 2ksh n VAL 40 N 4.05 2.12 0.00 1.79 3.14 -1.26 0.27 118.33 128.44 2ksh n VAL 40 Ca -0.19 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.69 2ksh n VAL 40 Cb 0.52 -1.58 0.00 0.00 -1.06 0.00 0.00 33.84 31.72 2ksh n VAL 40 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 2ksh n VAL 41 N 0.21 0.00 -3.65 1.55 3.14 -0.30 -4.79 118.33 114.49 2ksh n VAL 41 Ca 0.05 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.35 2ksh n VAL 41 Cb 0.37 -0.52 -0.02 0.00 -1.06 0.00 0.00 33.84 32.61 2ksh n VAL 41 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2ksh s LYS 42 N -1.75 1.40 -0.03 1.45 2.20 -1.15 -5.06 119.74 116.79 2ksh s LYS 42 Ca 0.00 -0.67 -0.00 0.00 -0.36 0.00 0.00 55.97 54.93 2ksh s LYS 42 Cb 0.00 0.54 0.03 0.00 -1.51 0.00 0.00 37.83 36.89 2ksh s LYS 42 CO 0.00 -0.63 0.02 0.54 -0.36 0.00 0.00 175.35 174.92 2ksh s ASN 43 N -2.81 0.60 0.15 1.43 2.20 -1.26 -1.96 114.94 113.28 2ksh s ASN 43 Ca 0.07 0.01 0.05 0.00 -0.94 0.00 0.00 52.86 52.05 2ksh s ASN 43 Cb -0.03 -0.19 -0.04 0.00 -2.00 0.00 0.00 41.25 38.99 2ksh s ASN 43 CO -0.02 -0.15 0.10 0.26 -2.94 0.00 0.00 177.10 174.34 2ksh s TRP 44 N 1.37 3.09 -0.02 1.54 0.52 0.11 -3.87 118.94 121.68 2ksh s TRP 44 Ca -0.05 -0.03 0.08 0.00 0.02 0.00 0.00 56.10 56.12 2ksh s TRP 44 Cb -0.13 -1.51 -0.02 0.00 -1.15 0.00 0.00 33.47 30.67 2ksh s TRP 44 CO -0.03 0.52 -0.26 0.54 0.02 0.00 0.00 176.95 177.74 2ksh s VAL 45 N -1.67 2.02 -0.24 4.03 0.11 -0.72 -1.27 120.40 122.65 2ksh s VAL 45 Ca 0.30 -1.09 -0.06 0.00 -2.93 0.00 0.00 61.98 58.19 2ksh s VAL 45 Cb -0.10 -1.67 -0.02 0.00 -1.53 0.00 0.00 36.38 33.06 2ksh s VAL 45 CO 0.22 0.57 0.03 -0.32 -3.33 0.00 0.00 175.10 172.28 2ksh s MET 46 N -0.60 3.50 0.00 1.54 1.75 -0.77 -2.38 119.30 122.34 2ksh s MET 46 Ca 0.10 -0.57 0.00 0.00 -1.25 0.00 0.00 55.69 53.97 2ksh s MET 46 Cb -0.10 -3.22 0.00 0.00 2.84 0.00 0.00 34.83 34.35 2ksh s MET 46 CO -0.01 -0.22 0.00 -3.47 -0.65 0.00 0.00 175.02 170.67 2ksh n ASP 47 N 4.88 -0.62 0.00 1.11 2.03 -0.31 -3.70 116.55 119.94 2ksh n ASP 47 Ca -0.17 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.12 2ksh n ASP 47 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 2ksh n ASP 47 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2ksh n LEU 48 N 0.00 0.00 0.12 -2.67 0.00 -1.26 -4.45 117.00 108.75 2ksh n LEU 48 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 56.01 55.99 2ksh n LEU 48 Cb 0.00 0.39 0.12 0.00 0.00 0.00 0.00 43.42 43.92 2ksh n LEU 48 CO 0.00 -0.40 0.43 0.50 0.00 0.00 0.00 177.39 177.92 2ksh h LYS 49 N 0.00 0.00 0.00 1.96 3.64 -1.97 -3.27 116.57 116.93 2ksh h LYS 49 Ca 0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 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 0.67 -1.93 -1.71 -2.27 0.00 0.00 179.45 174.21 2ksh n ASN 50 N -3.64 0.82 -2.61 4.20 2.85 -1.26 -5.02 115.26 110.60 2ksh n ASN 50 Ca -0.01 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.35 2ksh n ASN 50 Cb 0.68 1.56 0.06 0.00 1.24 0.00 0.00 39.78 43.32 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 -2.28 -3.76 -4.19 3.44 0.31 -1.24 -5.00 118.33 105.61 2ksh n VAL 51 Ca -0.11 -0.29 -0.12 0.00 -0.01 0.00 0.00 64.34 63.81 2ksh n VAL 51 Cb 0.65 -4.05 -0.10 0.00 -0.91 0.00 0.00 33.84 29.43 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 -5.01 0.90 -0.12 5.55 2.47 -1.26 -4.51 119.74 117.76 2ksh s LYS 52 Ca 0.04 -1.35 -0.02 0.00 -1.56 0.00 0.00 55.97 53.09 2ksh s LYS 52 Cb -0.02 -0.37 -0.03 0.00 -1.46 0.00 0.00 37.83 35.95 2ksh s LYS 52 CO 0.48 0.02 -0.06 -0.51 0.16 0.00 0.00 175.35 175.45 2ksh s LEU 53 N -3.01 3.17 0.09 5.43 1.02 -1.26 -1.16 118.68 122.96 2ksh s LEU 53 Ca 0.12 -0.10 -0.06 0.00 0.02 0.00 0.00 54.13 54.11 2ksh s LEU 53 Cb 0.03 -1.73 -0.02 0.00 0.02 0.00 0.00 46.19 44.49 2ksh s LEU 53 CO -0.03 0.24 0.12 0.68 0.02 0.00 0.00 176.35 177.38 2ksh s VAL 54 N -0.08 0.16 -0.54 -1.59 -7.23 -1.00 -5.02 120.40 105.09 2ksh s VAL 54 Ca 0.01 -1.47 -0.24 0.00 -1.81 0.00 0.00 61.98 58.47 2ksh s VAL 54 Cb -0.13 -1.52 0.04 0.00 0.56 0.00 0.00 36.38 35.33 2ksh s VAL 54 CO 0.03 -0.71 0.90 -1.83 -0.31 0.00 0.00 175.10 173.18 2ksh s GLU 55 N -3.91 3.32 0.28 4.82 -1.05 -1.26 -1.76 118.70 119.15 2ksh s GLU 55 Ca 0.09 -0.30 -0.14 0.00 -0.15 0.00 0.00 54.97 54.47 2ksh s GLU 55 Cb 0.06 -4.04 0.01 0.00 -0.44 0.00 0.00 34.13 29.71 2ksh s GLU 55 CO -0.08 -1.42 0.57 0.45 0.95 0.00 0.00 175.26 175.72 2ksh s SER 56 N 2.76 -0.01 0.00 0.83 0.15 -1.25 -4.93 113.70 111.25 2ksh s SER 56 Ca 0.29 -0.94 0.07 0.00 0.70 0.00 0.00 55.95 56.07 2ksh s SER 56 Cb -0.13 0.66 0.20 0.00 -1.71 0.00 0.00 66.02 65.03 2ksh s SER 56 CO 0.19 -1.27 1.12 -0.67 1.20 0.00 0.00 173.24 173.82 2ksh n ASP 57 N -0.63 2.52 -4.43 5.45 -0.08 -1.26 -3.83 116.55 114.30 2ksh n ASP 57 Ca -0.03 -1.92 -0.35 0.00 -1.51 0.00 0.00 54.79 50.99 2ksh n ASP 57 Cb 0.61 -0.14 0.09 0.00 2.34 0.00 0.00 41.12 44.01 2ksh n ASP 57 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2ksh n ASP 58 N 0.24 -1.74 -4.23 1.67 2.03 -1.26 -4.97 116.55 108.28 2ksh n ASP 58 Ca 0.08 0.48 -0.29 0.00 0.52 0.00 0.00 54.79 55.57 2ksh n ASP 58 Cb 0.35 -1.19 0.20 0.00 -0.72 0.00 0.00 41.12 39.76 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 -2.09 1.17 0.17 -1.67 0.00 -1.26 -4.96 121.76 113.13 2ksh s ALA 59 Ca 0.61 -0.80 -0.23 0.00 0.00 0.00 0.00 51.96 51.54 2ksh s ALA 59 Cb -0.29 -2.94 0.06 0.00 0.00 0.00 0.00 23.12 19.95 2ksh s ALA 59 CO 0.63 -3.00 0.69 0.00 0.00 0.00 0.00 175.76 174.08 2ksh s ALA 60 N -3.20 -1.53 0.64 0.00 0.00 -1.26 -4.96 121.76 111.45 2ksh s ALA 60 Ca 0.69 0.31 0.37 0.00 0.00 0.00 0.00 51.96 53.33 2ksh s ALA 60 Cb -0.11 0.81 2.09 0.00 0.00 0.00 0.00 23.12 25.90 2ksh s ALA 60 CO 0.55 -0.85 2.25 0.93 0.00 0.00 0.00 175.76 178.64 2ksh h GLU 61 N 2.00 0.00 -2.77 0.00 4.39 -1.83 -3.44 114.58 112.93 2ksh h GLU 61 Ca -0.28 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.45 2ksh h GLU 61 Cb 1.28 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.81 2ksh h GLU 61 CO 0.32 0.00 0.30 0.00 -1.16 0.00 0.00 179.01 178.48 2ksh s ALA 62 N -4.31 -1.64 -0.07 3.43 0.00 -1.24 -3.45 121.76 114.47 2ksh s ALA 62 Ca -0.05 0.56 0.03 0.00 0.00 0.00 0.00 51.96 52.51 2ksh s ALA 62 Cb 0.13 0.74 0.00 0.00 0.00 0.00 0.00 23.12 24.00 2ksh s ALA 62 CO 0.44 -0.78 -0.18 0.99 0.00 0.00 0.00 175.76 176.23 2ksh s THR 63 N -3.57 1.57 -0.29 0.00 2.01 -0.64 -1.66 115.64 113.07 2ksh s THR 63 Ca 0.03 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.30 2ksh s THR 63 Cb -0.01 -1.37 0.06 0.00 0.01 0.00 0.00 72.50 71.19 2ksh s THR 63 CO -0.10 0.45 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.47 2ksh s LEU 64 N 0.38 3.78 -0.16 4.42 1.43 0.14 -0.12 118.68 128.57 2ksh s LEU 64 Ca -0.13 -1.47 -0.02 0.00 -1.03 0.00 0.00 54.13 51.47 2ksh s LEU 64 Cb -0.16 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 2ksh s LEU 64 CO 0.05 -0.24 -0.08 -0.89 0.23 0.00 0.00 176.35 175.42 2ksh s THR 65 N 1.12 3.41 0.13 5.49 2.01 -0.95 -0.21 115.64 126.65 2ksh s THR 65 Ca -0.05 -0.52 -0.24 0.00 0.31 0.00 0.00 61.69 61.19 2ksh s THR 65 Cb -0.20 -2.48 0.07 0.00 0.01 0.00 0.00 72.50 69.90 2ksh s THR 65 CO -0.04 0.49 0.64 0.00 -0.69 0.00 0.00 174.62 175.02 2ksh s MET 66 N 0.59 1.21 1.03 4.92 0.23 -0.78 -2.01 119.30 124.49 2ksh s MET 66 Ca -0.05 -0.41 -0.12 0.00 -1.03 0.00 0.00 55.69 54.08 2ksh s MET 66 Cb -0.15 0.56 0.21 0.00 -1.53 0.00 0.00 34.83 33.92 2ksh s MET 66 CO 0.03 -0.52 1.08 -1.21 -2.03 0.00 0.00 175.02 172.37 2ksh s GLU 67 N -3.53 0.17 0.02 3.16 2.02 -1.26 -2.78 118.70 116.49 2ksh s GLU 67 Ca 0.01 1.11 -0.23 0.00 0.02 0.00 0.00 54.97 55.88 2ksh s GLU 67 Cb -0.01 -1.66 -0.16 0.00 0.10 0.00 0.00 34.13 32.40 2ksh s GLU 67 CO -0.11 -3.07 1.35 0.22 0.02 0.00 0.00 175.26 173.66 2ksh h ASP 68 N -2.17 0.21 -0.47 -0.19 3.58 -1.83 -0.66 116.42 114.89 2ksh h ASP 68 Ca -0.53 -0.45 0.01 0.00 0.42 0.00 0.00 57.03 56.49 2ksh h ASP 68 Cb 1.30 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.27 2ksh h ASP 68 CO 0.48 0.61 0.31 0.44 -2.88 0.00 0.00 179.24 178.19 2ksh h ASP 69 N -0.20 0.52 0.04 2.28 5.19 -1.93 -1.79 116.42 120.54 2ksh h ASP 69 Ca 0.02 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2ksh h ASP 69 Cb 0.54 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.92 2ksh h ASP 69 CO 0.02 0.37 -0.02 0.40 -3.12 0.00 0.00 179.24 176.89 2ksh h ILE 70 N 0.61 1.35 -0.93 0.35 5.03 -1.91 -3.08 117.51 118.93 2ksh h ILE 70 Ca 0.18 -1.54 0.18 0.00 -0.12 0.00 0.00 64.86 63.56 2ksh h ILE 70 Cb -0.03 2.33 -0.08 0.00 -3.03 0.00 0.00 36.82 36.01 2ksh h ILE 70 CO -0.04 0.37 0.60 -0.03 -0.68 0.00 0.00 178.15 178.37 2ksh h MET 71 N -0.77 0.56 -0.50 2.37 1.85 -0.90 -0.17 114.93 117.36 2ksh h MET 71 Ca -0.01 -0.03 -0.05 0.00 -0.61 0.00 0.00 59.70 59.00 2ksh h MET 71 Cb 0.66 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 32.54 2ksh h MET 71 CO 0.01 0.37 0.13 0.35 -0.40 0.00 0.00 176.91 177.37 2ksh h PHE 72 N 0.57 0.83 -0.41 1.39 3.57 -1.37 -1.92 116.94 119.61 2ksh h PHE 72 Ca 0.49 -0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.95 2ksh h PHE 72 Cb 0.98 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.44 2ksh h PHE 72 CO -0.00 0.74 0.13 0.00 -2.23 0.00 0.00 178.31 176.94 2ksh h ALA 73 N 1.00 0.47 0.00 2.41 0.00 -0.94 0.36 119.26 122.56 2ksh h ALA 73 Ca 0.16 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2ksh h ALA 73 Cb 0.31 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2ksh h ALA 73 CO -0.00 -0.27 0.00 0.82 0.00 0.00 0.00 179.25 179.80 2ksh h ILE 74 N 0.28 0.00 0.08 0.00 2.04 -1.35 0.35 117.51 118.92 2ksh h ILE 74 Ca 0.19 -0.46 -0.32 0.00 1.00 0.00 0.00 64.86 65.27 2ksh h ILE 74 Cb 0.19 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 2ksh h ILE 74 CO -0.21 0.00 -1.72 1.23 0.00 0.00 0.00 178.15 177.45 2ksh h GLY 75 N 2.14 0.20 -3.27 5.37 0.00 -0.23 -3.34 103.07 103.94 2ksh h GLY 75 Ca 0.00 -0.52 -0.26 0.00 0.00 0.00 0.00 47.33 46.55 2ksh h GLY 75 CO 0.00 0.46 0.33 -1.30 0.00 0.00 0.00 176.54 176.02 2ksh n THR 76 N -3.34 2.42 -1.77 4.70 -2.24 0.11 -4.53 114.28 109.63 2ksh n THR 76 Ca -0.21 -1.28 -0.12 0.00 -2.27 0.00 0.00 64.05 60.17 2ksh n THR 76 Cb 1.05 -0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 2ksh n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ksh n GLY 77 N -0.33 0.53 0.00 3.38 0.00 -1.13 -4.86 105.19 102.78 2ksh n GLY 77 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 2ksh n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ksh n ALA 78 N -0.61 0.00 -2.81 4.61 0.00 0.12 -4.92 120.51 116.91 2ksh n ALA 78 Ca -0.13 -0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.95 2ksh n ALA 78 Cb 0.48 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.85 2ksh n ALA 78 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2ksh s LEU 79 N -2.18 4.07 0.20 0.00 1.98 -0.89 -4.96 118.68 116.90 2ksh s LEU 79 Ca 0.00 0.29 -0.30 0.00 -2.89 0.00 0.00 54.13 51.22 2ksh s LEU 79 Cb 0.00 -2.00 -0.09 0.00 0.66 0.00 0.00 46.19 44.76 2ksh s LEU 79 CO 0.00 0.32 1.30 -2.16 -1.89 0.00 0.00 176.35 173.92 2ksh s PRO 80 N -0.50 4.39 0.58 0.98 0.04 -1.26 -3.02 135.00 136.21 2ksh s PRO 80 Ca 0.11 2.05 0.28 0.00 0.04 0.00 0.00 61.00 63.48 2ksh s PRO 80 Cb -0.12 -3.19 1.55 0.00 0.04 0.00 0.00 34.50 32.77 2ksh s PRO 80 CO 0.02 -0.24 2.01 0.00 0.04 0.00 0.00 177.00 178.83 2ksh h ALA 81 N 5.32 2.05 0.50 8.56 0.00 -1.95 -2.12 119.26 131.63 2ksh h ALA 81 Ca -0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2ksh h ALA 81 Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2ksh h ALA 81 CO 0.77 -0.49 -0.24 -0.22 0.00 0.00 0.00 179.25 179.06 2ksh h LYS 82 N 0.00 -0.65 0.04 0.00 3.64 -1.99 -2.10 116.57 115.51 2ksh h LYS 82 Ca 0.16 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.61 2ksh h LYS 82 Cb 0.80 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.73 2ksh h LYS 82 CO -0.00 -0.35 -0.23 0.93 -2.27 0.00 0.00 179.45 177.53 2ksh h GLU 83 N -0.94 -0.36 -0.92 1.90 4.39 -1.79 0.21 114.58 117.07 2ksh h GLU 83 Ca -0.07 0.02 0.19 0.00 0.34 0.00 0.00 59.36 59.85 2ksh h GLU 83 Cb 0.61 0.08 -0.11 0.00 -0.10 0.00 0.00 28.75 29.23 2ksh h GLU 83 CO 0.11 -0.24 0.49 0.00 -1.16 0.00 0.00 179.01 178.21 2ksh h ALA 84 N 0.46 1.49 -0.01 3.43 0.00 -1.52 0.27 119.26 123.37 2ksh h ALA 84 Ca 0.05 0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 2ksh h ALA 84 Cb 0.44 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2ksh h ALA 84 CO -0.18 -0.17 -0.71 1.98 0.00 0.00 0.00 179.25 180.17 2ksh h MET 85 N 0.59 0.06 0.00 0.00 4.05 -0.63 -1.00 114.93 118.00 2ksh h MET 85 Ca 0.54 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.84 2ksh h MET 85 Cb 0.90 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.70 2ksh h MET 85 CO -0.43 0.74 -0.32 0.00 0.23 0.00 0.00 176.91 177.14 2ksh h ALA 86 N 1.24 0.95 -0.39 0.39 0.00 0.26 -2.81 119.26 118.90 2ksh h ALA 86 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2ksh h ALA 86 Cb 1.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2ksh h ALA 86 CO 0.10 0.40 0.00 1.04 0.00 0.00 0.00 179.25 180.78 2ksh n GLN 87 N -3.40 2.62 -1.72 0.00 6.02 0.31 -4.88 117.38 116.34 2ksh n GLN 87 Ca 0.00 -1.71 -0.21 0.00 -0.01 0.00 0.00 57.00 55.07 2ksh n GLN 87 Cb 0.51 -1.63 -0.08 0.00 1.02 0.00 0.00 30.24 30.06 2ksh n GLN 87 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2ksh n ASP 88 N 0.59 -5.56 -0.63 1.08 9.92 -1.06 -4.82 116.55 116.07 2ksh n ASP 88 Ca 0.15 0.44 0.12 0.00 -0.53 0.00 0.00 54.79 54.97 2ksh n ASP 88 Cb 0.58 -4.87 0.38 0.00 -0.64 0.00 0.00 41.12 36.57 2ksh n ASP 88 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2ksh n LYS 89 N -2.47 1.84 -3.58 -1.24 5.02 -0.39 -4.89 118.16 112.44 2ksh n LYS 89 Ca -0.21 -1.26 -0.13 0.00 -2.02 0.00 0.00 58.31 54.69 2ksh n LYS 89 Cb 0.69 -1.44 -0.06 0.00 -0.02 0.00 0.00 35.03 34.20 2ksh n LYS 89 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2ksh s MET 90 N -1.83 0.74 0.22 1.97 0.00 -1.18 -4.29 119.30 114.94 2ksh s MET 90 Ca 0.34 0.42 0.06 0.00 0.00 0.00 0.00 55.69 56.52 2ksh s MET 90 Cb 0.19 0.35 -0.05 0.00 0.00 0.00 0.00 34.83 35.32 2ksh s MET 90 CO 0.29 -0.18 -0.09 -1.21 0.00 0.00 0.00 175.02 173.83 2ksh s GLU 91 N -0.58 1.36 -0.03 4.11 2.02 -0.85 -4.53 118.70 120.21 2ksh s GLU 91 Ca -0.03 -1.64 -0.04 0.00 0.02 0.00 0.00 54.97 53.28 2ksh s GLU 91 Cb -0.02 -0.99 0.01 0.00 0.10 0.00 0.00 34.13 33.22 2ksh s GLU 91 CO 0.02 0.08 0.09 0.08 0.02 0.00 0.00 175.26 175.56 2ksh s VAL 92 N -3.10 0.02 0.38 2.63 1.01 -1.26 -2.24 120.40 117.84 2ksh s VAL 92 Ca 0.25 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.11 2ksh s VAL 92 Cb 0.02 -0.20 -0.07 0.00 0.00 0.00 0.00 36.38 36.13 2ksh s VAL 92 CO 0.08 -0.10 -0.00 -0.62 0.00 0.00 0.00 175.10 174.45 2ksh s ASP 93 N -0.29 3.52 0.24 3.32 -1.08 0.83 -4.94 116.67 118.26 2ksh s ASP 93 Ca -0.04 -1.33 0.00 0.00 -0.52 0.00 0.00 52.55 50.66 2ksh s ASP 93 Cb -0.03 -0.32 0.00 0.00 -1.46 0.00 0.00 42.92 41.11 2ksh s ASP 93 CO 0.00 -0.43 0.00 0.61 0.52 0.00 0.00 175.17 175.87 2ksh n GLY 94 N -0.87 1.16 3.16 2.66 0.00 -1.26 -1.62 105.19 108.42 2ksh n GLY 94 Ca -0.05 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 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 2.44 0.58 1.61 1.11 -1.22 -4.96 119.66 119.22 2ksh s GLN 95 Ca 0.00 -1.25 0.39 0.00 0.01 0.00 0.00 55.36 54.51 2ksh s GLN 95 Cb 0.00 -3.12 2.10 0.00 -1.01 0.00 0.00 33.01 30.99 2ksh s GLN 95 CO 0.00 -0.59 2.19 0.28 0.01 0.00 0.00 175.29 177.18 2ksh h VAL 96 N 6.48 0.00 -0.47 1.09 2.07 -1.94 -1.59 116.25 121.89 2ksh h VAL 96 Ca -0.22 -0.02 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 2ksh h VAL 96 Cb 1.06 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 2ksh h VAL 96 CO 0.53 0.00 0.01 1.05 0.02 0.00 0.00 177.57 179.18 2ksh h GLU 97 N 0.00 0.77 0.00 1.57 4.11 -1.99 -2.49 114.58 116.55 2ksh h GLU 97 Ca 0.00 -0.20 -0.11 0.00 0.07 0.00 0.00 59.36 59.13 2ksh h GLU 97 Cb 0.02 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2ksh h GLU 97 CO 0.00 0.77 -0.50 -0.07 0.07 0.00 0.00 179.01 179.28 2ksh h LEU 98 N 0.73 0.00 -0.14 3.06 3.38 -1.72 -3.04 115.31 117.58 2ksh h LEU 98 Ca 0.14 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.16 2ksh h LEU 98 Cb 0.42 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 2ksh h LEU 98 CO 0.02 0.50 -0.15 0.40 0.09 0.00 0.00 178.44 179.30 2ksh h ILE 99 N 0.00 0.60 0.00 1.22 2.04 -1.48 -1.54 117.51 118.36 2ksh h ILE 99 Ca -0.01 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 2ksh h ILE 99 Cb 1.02 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 2ksh h ILE 99 CO 0.07 0.00 -0.46 -0.26 0.00 0.00 0.00 178.15 177.50 2ksh h PHE 100 N -0.17 0.00 0.00 1.37 -1.00 -1.59 -2.70 116.94 112.85 2ksh h PHE 100 Ca 0.10 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.86 2ksh h PHE 100 Cb 0.32 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.87 2ksh h PHE 100 CO -0.27 0.46 -0.07 -0.07 -1.61 0.00 0.00 178.31 176.75 2ksh h LEU 101 N 0.00 0.00 0.04 1.54 -0.00 -1.18 -2.31 115.31 113.40 2ksh h LEU 101 Ca -0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.58 2ksh h LEU 101 Cb 0.87 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.49 2ksh h LEU 101 CO 0.06 0.07 -1.64 -0.07 -0.00 0.00 0.00 178.44 176.86 2ksh h LEU 102 N 0.00 0.12 -0.80 1.67 3.38 -1.06 -3.35 115.31 115.27 2ksh h LEU 102 Ca -0.00 -0.23 0.09 0.00 0.09 0.00 0.00 57.88 57.83 2ksh h LEU 102 Cb 0.24 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 40.85 2ksh h LEU 102 CO 0.01 1.20 -0.43 1.21 0.09 0.00 0.00 178.44 180.52 2ksh n GLU 103 N -3.21 -0.30 0.12 1.13 0.00 -0.87 0.94 120.64 118.45 2ksh n GLU 103 Ca -0.17 1.22 -0.02 0.00 0.00 0.00 0.00 57.16 58.20 2ksh n GLU 103 Cb 1.04 -1.80 0.22 0.00 0.00 0.00 0.00 31.44 30.90 2ksh n GLU 103 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 2ksh h PRO 104 N 0.00 0.16 -0.03 5.31 0.13 -1.75 -2.88 132.00 132.94 2ksh h PRO 104 Ca 0.17 -0.08 0.01 0.00 -0.87 0.00 0.00 66.00 65.23 2ksh h PRO 104 Cb 0.37 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.51 2ksh h PRO 104 CO -0.77 0.60 0.06 0.35 -0.23 0.00 0.00 178.00 178.00 2ksh h PHE 105 N 0.13 0.00 -0.41 1.56 3.57 0.44 -1.52 116.94 120.72 2ksh h PHE 105 Ca 0.01 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.62 2ksh h PHE 105 Cb 0.88 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 2ksh h PHE 105 CO 0.01 0.00 0.38 0.82 -2.23 0.00 0.00 178.31 177.29 2ksh h ILE 106 N 0.00 0.49 -0.33 1.41 2.04 -1.05 0.50 117.51 120.57 2ksh h ILE 106 Ca 0.01 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.97 2ksh h ILE 106 Cb 0.13 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 2ksh h ILE 106 CO -0.00 0.00 0.34 0.00 0.00 0.00 0.00 178.15 178.49 2ksh h ALA 107 N 1.62 2.03 0.12 1.87 0.00 -1.50 -2.71 119.26 120.68 2ksh h ALA 107 Ca 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2ksh h ALA 107 Cb 0.96 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2ksh h ALA 107 CO -0.00 -0.50 -0.07 0.77 0.00 0.00 0.00 179.25 179.45 2ksh h SER 108 N 0.00 -0.17 0.00 0.00 0.02 -1.12 -3.45 113.55 108.82 2ksh h SER 108 Ca 0.15 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 2ksh h SER 108 Cb 0.82 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 2ksh h SER 108 CO -0.00 -0.11 -0.02 -0.11 -1.14 0.00 0.00 176.83 175.46 2ksh n LEU 109 N -2.58 -0.07 -0.33 5.07 7.94 -1.08 -5.14 117.00 120.81 2ksh n LEU 109 Ca -0.02 -0.50 0.04 0.00 -1.11 0.00 0.00 56.01 54.42 2ksh n LEU 109 Cb 0.07 0.37 0.03 0.00 0.53 0.00 0.00 43.42 44.43 2ksh n LEU 109 CO 0.05 0.74 0.38 1.17 -1.11 0.00 0.00 177.39 178.63