#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 1.40 0.05 7.83 0.15 -1.26 -5.15 113.70 116.71 2ksh s SER 2 Ca 0.00 -0.34 0.08 0.00 0.70 0.00 0.00 55.95 56.39 2ksh s SER 2 Cb 0.00 -0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.17 2ksh s SER 2 CO 0.00 0.06 -0.23 -0.76 1.20 0.00 0.00 173.24 173.51 2ksh s LEU 3 N -0.76 2.35 0.33 3.45 1.43 -1.26 -5.03 118.68 119.20 2ksh s LEU 3 Ca 0.02 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 2ksh s LEU 3 Cb -0.06 -1.38 0.58 0.00 0.03 0.00 0.00 46.19 45.36 2ksh s LEU 3 CO 0.00 0.25 1.97 0.50 0.23 0.00 0.00 176.35 179.31 2ksh h LYS 4 N 4.66 0.83 -0.35 1.70 1.63 -2.02 -1.58 116.57 121.45 2ksh h LYS 4 Ca -0.47 -0.08 0.10 0.00 -0.85 0.00 0.00 60.65 59.35 2ksh h LYS 4 Cb 1.15 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.59 2ksh h LYS 4 CO 0.45 0.60 0.32 0.66 -3.45 0.00 0.00 179.45 178.03 2ksh h SER 5 N 0.85 0.00 -0.85 4.20 4.64 -1.96 -0.43 113.55 120.00 2ksh h SER 5 Ca 0.22 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.67 2ksh h SER 5 Cb -0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.02 2ksh h SER 5 CO -0.04 0.00 0.55 -0.78 -0.87 0.00 0.00 176.83 175.69 2ksh h ASP 6 N 0.00 0.64 -0.81 4.97 1.82 -1.68 -0.24 116.42 121.12 2ksh h ASP 6 Ca 0.16 0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.83 2ksh h ASP 6 Cb 0.80 -0.10 -0.04 0.00 0.68 0.00 0.00 39.33 40.67 2ksh h ASP 6 CO -0.00 0.34 0.50 -0.33 -1.61 0.00 0.00 179.24 178.14 2ksh h GLU 7 N 0.69 1.10 -0.19 0.28 4.39 -1.24 0.29 114.58 119.91 2ksh h GLU 7 Ca 0.41 -0.09 -0.11 0.00 0.34 0.00 0.00 59.36 59.92 2ksh h GLU 7 Cb 0.63 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2ksh h GLU 7 CO -0.18 0.76 -0.30 0.28 -1.16 0.00 0.00 179.01 178.41 2ksh h VAL 8 N 1.12 1.34 -0.61 3.13 2.07 -1.19 -2.50 116.25 119.61 2ksh h VAL 8 Ca 0.29 -1.53 -0.06 0.00 0.82 0.00 0.00 66.70 66.23 2ksh h VAL 8 Cb -0.06 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 2ksh h VAL 8 CO -0.06 0.47 0.15 -0.26 0.02 0.00 0.00 177.57 177.89 2ksh h PHE 9 N 0.19 0.98 -0.01 1.57 0.04 -1.06 0.29 116.94 118.95 2ksh h PHE 9 Ca 0.01 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.68 2ksh h PHE 9 Cb 0.89 -0.28 -0.00 0.00 2.20 0.00 0.00 35.95 38.75 2ksh h PHE 9 CO 0.09 0.81 0.00 0.00 -0.60 0.00 0.00 178.31 178.61 2ksh h ALA 10 N 1.25 0.01 -0.64 2.45 0.00 -0.94 -0.04 119.26 121.35 2ksh h ALA 10 Ca 0.20 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2ksh h ALA 10 Cb 0.32 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2ksh h ALA 10 CO -0.00 -0.39 0.05 1.57 0.00 0.00 0.00 179.25 180.48 2ksh h LYS 11 N -0.19 1.10 -0.11 0.00 2.10 -1.33 -2.88 116.57 115.25 2ksh h LYS 11 Ca 0.00 -0.32 -0.01 0.00 -2.00 0.00 0.00 60.65 58.32 2ksh h LYS 11 Cb 0.20 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 31.42 2ksh h LYS 11 CO -0.00 1.04 0.05 0.82 -2.00 0.00 0.00 179.45 179.35 2ksh h ILE 12 N 1.01 1.15 -0.51 0.07 2.04 -0.85 -2.90 117.51 117.51 2ksh h ILE 12 Ca 0.19 -0.44 0.10 0.00 1.00 0.00 0.00 64.86 65.71 2ksh h ILE 12 Cb 0.51 1.23 -0.09 0.00 -0.74 0.00 0.00 36.82 37.74 2ksh h ILE 12 CO 0.02 0.13 -0.01 0.00 0.00 0.00 0.00 178.15 178.29 2ksh h ALA 13 N 0.89 0.47 -0.81 1.87 0.00 -0.93 0.59 119.26 121.34 2ksh h ALA 13 Ca 0.04 0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.22 2ksh h ALA 13 Cb 0.17 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 2ksh h ALA 13 CO -0.00 -0.39 0.53 -0.22 0.00 0.00 0.00 179.25 179.16 2ksh h LYS 14 N 0.10 0.64 -0.04 0.00 1.63 -1.40 0.53 116.57 118.04 2ksh h LYS 14 Ca 0.26 -0.04 -0.10 0.00 -0.85 0.00 0.00 60.65 59.92 2ksh h LYS 14 Cb 0.39 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 2ksh h LYS 14 CO -0.44 0.42 -0.43 0.00 -3.45 0.00 0.00 179.45 175.55 2ksh h ARG 15 N 0.66 0.08 0.00 1.90 2.47 -0.71 -2.52 114.38 116.25 2ksh h ARG 15 Ca 0.39 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 59.07 2ksh h ARG 15 Cb 0.59 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 2ksh h ARG 15 CO -0.15 0.50 0.00 -0.07 0.56 0.00 0.00 179.97 180.81 2ksh h LEU 16 N 0.07 0.00 0.00 3.04 3.38 -0.13 0.71 115.31 122.38 2ksh h LEU 16 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ksh h LEU 16 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2ksh h LEU 16 CO 0.06 0.00 -0.32 -0.62 0.09 0.00 0.00 178.44 177.65 2ksh n GLU 17 N -2.79 0.17 0.02 1.13 1.02 -0.95 -3.47 120.64 115.76 2ksh n GLU 17 Ca -0.02 0.08 0.11 0.00 -0.02 0.00 0.00 57.16 57.32 2ksh n GLU 17 Cb 0.10 -1.64 -0.03 0.00 -0.02 0.00 0.00 31.44 29.85 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 -1.91 0.58 -4.77 1.62 7.64 0.23 -4.95 113.62 112.06 2ksh n SER 18 Ca 0.05 -0.30 -0.40 0.00 1.01 0.00 0.00 58.87 59.23 2ksh n SER 18 Cb 0.40 1.02 -0.01 0.00 -1.01 0.00 0.00 64.21 64.61 2ksh n SER 18 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ksh s ILE 19 N -3.22 2.43 0.16 0.44 1.01 -1.12 -5.03 121.20 115.88 2ksh s ILE 19 Ca 0.02 0.41 0.11 0.00 0.00 0.00 0.00 60.65 61.19 2ksh s ILE 19 Cb 0.14 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 2ksh s ILE 19 CO 0.83 0.08 -0.22 -1.81 0.00 0.00 0.00 174.94 173.82 2ksh s ASP 20 N -0.48 3.57 0.45 3.58 1.11 -1.26 -5.03 116.67 118.61 2ksh s ASP 20 Ca 0.54 -0.76 0.24 0.00 0.18 0.00 0.00 52.55 52.75 2ksh s ASP 20 Cb -0.41 -0.34 1.03 0.00 1.07 0.00 0.00 42.92 44.26 2ksh s ASP 20 CO 0.55 0.14 1.88 1.55 1.18 0.00 0.00 175.17 180.47 2ksh h PRO 21 N 3.42 0.00 0.44 8.23 0.13 -2.01 -3.23 132.00 138.98 2ksh h PRO 21 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2ksh h PRO 21 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ksh h PRO 21 CO 0.46 0.22 -0.25 0.00 -0.23 0.00 0.00 178.00 178.20 2ksh h ALA 22 N 1.78 -0.65 -2.74 -0.56 0.00 -2.03 -3.39 119.26 111.67 2ksh h ALA 22 Ca -0.00 -0.13 -0.68 0.00 0.00 0.00 0.00 54.91 54.10 2ksh h ALA 22 Cb 0.66 0.31 -0.20 0.00 0.00 0.00 0.00 17.79 18.55 2ksh h ALA 22 CO 0.03 -0.88 -0.50 -0.80 0.00 0.00 0.00 179.25 177.11 2ksh s ASN 23 N -4.63 5.94 0.00 0.00 0.02 -1.22 -5.02 114.94 110.03 2ksh s ASN 23 Ca -0.16 -0.48 0.00 0.00 -1.02 0.00 0.00 52.86 51.19 2ksh s ASN 23 Cb 0.05 -2.10 0.00 0.00 0.02 0.00 0.00 41.25 39.21 2ksh s ASN 23 CO 0.63 -0.24 0.00 -1.14 0.02 0.00 0.00 177.10 176.37 2ksh n ARG 24 N 5.08 0.00 -0.10 -0.60 0.63 -1.26 -4.57 116.66 115.84 2ksh n ARG 24 Ca -0.13 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.66 2ksh n ARG 24 Cb 0.49 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.35 2ksh n ARG 24 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2ksh n GLN 25 N 0.00 0.53 -3.65 -0.14 6.02 -1.26 -5.04 117.38 113.83 2ksh n GLN 25 Ca 0.00 0.37 -0.14 0.00 -0.01 0.00 0.00 57.00 57.22 2ksh n GLN 25 Cb 0.00 -1.56 -0.08 0.00 1.02 0.00 0.00 30.24 29.62 2ksh n GLN 25 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2ksh s VAL 26 N -2.56 0.00 -0.25 5.09 0.11 -1.26 -5.16 120.40 116.38 2ksh s VAL 26 Ca -0.27 -0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 58.69 2ksh s VAL 26 Cb 0.06 -0.89 0.11 0.00 -1.53 0.00 0.00 36.38 34.13 2ksh s VAL 26 CO 0.41 -0.00 0.53 -1.61 -3.33 0.00 0.00 175.10 171.10 2ksh s GLU 27 N 0.26 0.45 0.26 1.54 0.41 -1.26 -5.01 118.70 115.35 2ksh s GLU 27 Ca -0.01 1.23 0.02 0.00 -0.41 0.00 0.00 54.97 55.81 2ksh s GLU 27 Cb -0.04 0.58 -0.05 0.00 -1.78 0.00 0.00 34.13 32.83 2ksh s GLU 27 CO 0.01 -0.22 0.07 -1.01 -0.49 0.00 0.00 175.26 173.62 2ksh s HIS 28 N 2.70 1.57 0.17 1.61 3.76 -1.26 -5.02 115.29 118.82 2ksh s HIS 28 Ca -0.04 -1.09 -0.32 0.00 -0.15 0.00 0.00 55.06 53.46 2ksh s HIS 28 Cb -0.12 -0.94 -0.10 0.00 1.11 0.00 0.00 32.58 32.53 2ksh s HIS 28 CO -0.16 -0.23 1.57 0.08 -0.85 0.00 0.00 174.74 175.15 2ksh s VAL 29 N -3.63 2.60 0.04 -0.90 1.01 -1.26 -4.80 120.40 113.47 2ksh s VAL 29 Ca 0.35 0.43 0.07 0.00 0.00 0.00 0.00 61.98 62.83 2ksh s VAL 29 Cb 0.07 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 2ksh s VAL 29 CO 0.12 0.03 -0.20 -0.31 0.00 0.00 0.00 175.10 174.74 2ksh s TYR 30 N 1.13 1.78 -0.09 5.22 2.02 -1.20 -1.53 117.35 124.68 2ksh s TYR 30 Ca 0.70 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 57.03 2ksh s TYR 30 Cb -0.44 -1.07 -0.03 0.00 -0.40 0.00 0.00 41.96 40.03 2ksh s TYR 30 CO 0.31 0.08 -0.08 0.15 -1.57 0.00 0.00 175.55 174.44 2ksh s LYS 31 N -1.13 3.01 -0.09 -0.62 1.02 -0.39 -0.58 119.74 120.96 2ksh s LYS 31 Ca 0.07 -0.59 0.03 0.00 0.02 0.00 0.00 55.97 55.50 2ksh s LYS 31 Cb -0.09 -2.63 -0.01 0.00 -0.52 0.00 0.00 37.83 34.58 2ksh s LYS 31 CO 0.02 0.49 -0.18 -0.06 -0.92 0.00 0.00 175.35 174.70 2ksh s PHE 32 N -0.36 2.65 -0.22 3.18 0.08 0.66 -0.03 117.98 123.95 2ksh s PHE 32 Ca 0.05 -0.63 -0.04 0.00 0.12 0.00 0.00 56.93 56.42 2ksh s PHE 32 Cb -0.12 -1.72 -0.01 0.00 -0.57 0.00 0.00 43.02 40.60 2ksh s PHE 32 CO 0.02 -0.17 -0.02 1.03 -0.10 0.00 0.00 175.22 175.98 2ksh s ARG 33 N -0.00 3.44 -0.32 0.44 0.52 0.70 0.31 118.95 124.03 2ksh s ARG 33 Ca -0.06 -0.60 -0.10 0.00 -0.52 0.00 0.00 55.73 54.46 2ksh s ARG 33 Cb -0.15 -3.05 0.00 0.00 0.52 0.00 0.00 34.95 32.27 2ksh s ARG 33 CO 0.05 -0.17 0.16 0.42 0.02 0.00 0.00 175.30 175.78 2ksh s ILE 34 N 1.44 4.57 -0.04 1.52 -1.09 0.84 -1.99 121.20 126.45 2ksh s ILE 34 Ca 0.05 -0.54 -0.03 0.00 -2.23 0.00 0.00 60.65 57.91 2ksh s ILE 34 Cb -0.14 -3.38 -0.04 0.00 -1.58 0.00 0.00 42.46 37.31 2ksh s ILE 34 CO -0.02 -0.00 0.12 0.42 -1.23 0.00 0.00 174.94 174.23 2ksh s THR 35 N 1.59 5.08 -0.43 2.92 -4.23 -1.24 -1.17 115.64 118.16 2ksh s THR 35 Ca 0.04 -0.19 -0.14 0.00 -1.18 0.00 0.00 61.69 60.22 2ksh s THR 35 Cb -0.18 -3.30 0.05 0.00 1.34 0.00 0.00 72.50 70.41 2ksh s THR 35 CO 0.06 0.42 0.32 -1.10 -0.54 0.00 0.00 174.62 173.77 2ksh s GLN 36 N -1.59 2.90 0.00 3.99 -0.21 0.23 -3.05 119.66 121.93 2ksh s GLN 36 Ca 0.22 -1.22 0.00 0.00 0.02 0.00 0.00 55.36 54.38 2ksh s GLN 36 Cb -0.12 -3.97 0.00 0.00 1.00 0.00 0.00 33.01 29.92 2ksh s GLN 36 CO 0.13 -0.88 0.00 0.41 -2.12 0.00 0.00 175.29 172.83 2ksh n GLY 37 N 5.12 1.53 0.00 3.09 0.00 -1.26 -3.22 105.19 110.45 2ksh n GLY 37 Ca -0.12 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 2.98 -0.02 0.00 -1.26 -5.10 105.19 101.79 2ksh n GLY 38 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.35 0.16 1.61 2.47 -1.20 -5.07 119.74 118.07 2ksh s LYS 39 Ca 0.00 -0.40 -0.34 0.00 -1.56 0.00 0.00 55.97 53.67 2ksh s LYS 39 Cb 0.00 -0.20 -0.14 0.00 -1.46 0.00 0.00 37.83 36.04 2ksh s LYS 39 CO 0.00 0.04 1.58 0.28 0.16 0.00 0.00 175.35 177.42 2ksh n VAL 40 N 2.27 0.00 -0.22 4.02 0.31 -1.26 0.77 118.33 124.22 2ksh n VAL 40 Ca -0.18 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 2ksh n VAL 40 Cb 0.57 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 2ksh n VAL 40 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 2ksh n VAL 41 N 3.44 0.00 -3.60 2.52 3.14 -0.31 -4.75 118.33 118.77 2ksh n VAL 41 Ca 0.17 -0.23 -0.06 0.00 -2.96 0.00 0.00 64.34 61.26 2ksh n VAL 41 Cb 0.29 1.22 -0.04 0.00 -1.06 0.00 0.00 33.84 34.25 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 -0.28 0.33 -0.03 1.45 2.20 -0.64 -5.00 119.74 117.77 2ksh s LYS 42 Ca 0.00 0.00 -0.00 0.00 -0.36 0.00 0.00 55.97 55.61 2ksh s LYS 42 Cb 0.00 0.16 0.03 0.00 -1.51 0.00 0.00 37.83 36.50 2ksh s LYS 42 CO 0.00 -0.12 0.02 -0.80 -0.36 0.00 0.00 175.35 174.09 2ksh s ASN 43 N -1.45 0.60 0.16 1.43 0.01 -1.26 -0.11 114.94 114.32 2ksh s ASN 43 Ca 0.05 0.01 0.06 0.00 -0.71 0.00 0.00 52.86 52.28 2ksh s ASN 43 Cb -0.01 -0.18 -0.04 0.00 0.41 0.00 0.00 41.25 41.44 2ksh s ASN 43 CO -0.04 -0.15 0.07 0.26 -1.51 0.00 0.00 177.10 175.72 2ksh s TRP 44 N 1.41 3.02 -0.05 2.20 0.52 0.15 -4.00 118.94 122.18 2ksh s TRP 44 Ca -0.05 -0.06 0.03 0.00 0.02 0.00 0.00 56.10 56.04 2ksh s TRP 44 Cb -0.13 -1.47 0.01 0.00 -1.15 0.00 0.00 33.47 30.73 2ksh s TRP 44 CO -0.03 0.52 -0.13 0.08 0.02 0.00 0.00 176.95 177.41 2ksh s VAL 45 N -1.69 1.17 -0.29 4.03 1.01 -1.01 -0.24 120.40 123.37 2ksh s VAL 45 Ca 0.29 -0.53 -0.13 0.00 0.00 0.00 0.00 61.98 61.61 2ksh s VAL 45 Cb -0.10 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 2ksh s VAL 45 CO 0.21 0.35 0.27 -0.32 0.00 0.00 0.00 175.10 175.61 2ksh s MET 46 N 0.38 3.85 -0.22 2.72 1.75 0.25 -1.37 119.30 126.66 2ksh s MET 46 Ca -0.09 -0.29 -0.23 0.00 -1.25 0.00 0.00 55.69 53.84 2ksh s MET 46 Cb -0.13 -3.70 -0.02 0.00 2.84 0.00 0.00 34.83 33.82 2ksh s MET 46 CO 0.03 -0.29 0.72 0.34 -0.65 0.00 0.00 175.02 175.17 2ksh s ASP 47 N 1.72 6.75 0.03 1.11 -1.08 -0.18 -3.28 116.67 121.75 2ksh s ASP 47 Ca 0.10 0.92 0.23 0.00 -0.52 0.00 0.00 52.55 53.27 2ksh s ASP 47 Cb -0.16 -2.39 0.12 0.00 -1.46 0.00 0.00 42.92 39.03 2ksh s ASP 47 CO 0.11 -0.39 1.11 -0.11 0.52 0.00 0.00 175.17 176.40 2ksh n LEU 48 N 5.55 0.64 0.07 -1.34 -0.00 -1.26 -1.19 117.00 119.47 2ksh n LEU 48 Ca 0.02 -0.07 -0.21 0.00 -0.00 0.00 0.00 56.01 55.74 2ksh n LEU 48 Cb 0.49 -0.12 -0.12 0.00 -0.00 0.00 0.00 43.42 43.67 2ksh n LEU 48 CO 0.45 0.09 -0.01 0.11 -0.00 0.00 0.00 177.39 178.04 2ksh h LYS 49 N 0.00 0.65 -0.00 1.96 1.57 -1.93 -3.31 116.57 115.51 2ksh h LYS 49 Ca 0.00 -0.79 0.00 0.00 -1.87 0.00 0.00 60.65 57.99 2ksh h LYS 49 Cb 0.65 0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.20 2ksh h LYS 49 CO 0.00 1.35 -0.76 0.09 -0.57 0.00 0.00 179.45 179.56 2ksh n ASN 50 N -3.81 1.13 -2.34 0.86 3.02 -1.26 -5.00 115.26 107.86 2ksh n ASN 50 Ca -0.12 -1.06 -0.10 0.00 -0.03 0.00 0.00 54.58 53.26 2ksh n ASN 50 Cb 0.94 0.87 0.05 0.00 -0.61 0.00 0.00 39.78 41.03 2ksh n ASN 50 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2ksh n VAL 51 N -1.09 -3.13 -3.61 2.41 0.31 -1.00 -5.04 118.33 107.18 2ksh n VAL 51 Ca 0.05 -0.24 -0.12 0.00 -0.01 0.00 0.00 64.34 64.02 2ksh n VAL 51 Cb 0.32 -3.76 -0.07 0.00 -0.91 0.00 0.00 33.84 29.42 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 -4.90 0.69 -0.07 5.55 2.20 -0.33 -4.65 119.74 118.23 2ksh s LYS 52 Ca 0.05 0.58 -0.04 0.00 -0.36 0.00 0.00 55.97 56.20 2ksh s LYS 52 Cb -0.02 0.33 -0.04 0.00 -1.51 0.00 0.00 37.83 36.59 2ksh s LYS 52 CO 0.41 -0.13 0.09 -0.48 -0.36 0.00 0.00 175.35 174.88 2ksh s LEU 53 N -0.17 4.05 0.11 5.43 2.34 -1.26 -1.01 118.68 128.18 2ksh s LEU 53 Ca -0.01 0.29 -0.05 0.00 0.06 0.00 0.00 54.13 54.43 2ksh s LEU 53 Cb -0.03 -2.10 -0.02 0.00 -0.56 0.00 0.00 46.19 43.47 2ksh s LEU 53 CO -0.01 0.35 0.13 -0.69 -1.06 0.00 0.00 176.35 175.07 2ksh s VAL 54 N -1.06 0.13 -0.61 1.48 1.01 -0.47 -4.92 120.40 115.96 2ksh s VAL 54 Ca 0.18 -1.58 -0.26 0.00 0.00 0.00 0.00 61.98 60.32 2ksh s VAL 54 Cb -0.12 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 2ksh s VAL 54 CO 0.07 -0.59 2.03 -1.83 0.00 0.00 0.00 175.10 174.78 2ksh s GLU 55 N -3.95 2.44 0.21 2.72 -1.05 -1.26 -2.41 118.70 115.40 2ksh s GLU 55 Ca 0.14 0.74 -0.09 0.00 -0.15 0.00 0.00 54.97 55.61 2ksh s GLU 55 Cb 0.06 -4.51 -0.01 0.00 -0.44 0.00 0.00 34.13 29.23 2ksh s GLU 55 CO -0.04 -2.99 0.33 0.45 0.95 0.00 0.00 175.26 173.95 2ksh s SER 56 N 9.27 0.01 -0.01 0.83 0.15 -1.26 -4.94 113.70 117.76 2ksh s SER 56 Ca 0.76 -1.02 0.07 0.00 0.70 0.00 0.00 55.95 56.45 2ksh s SER 56 Cb -0.13 0.48 0.18 0.00 -1.71 0.00 0.00 66.02 64.85 2ksh s SER 56 CO 0.20 -0.98 1.15 -0.67 1.20 0.00 0.00 173.24 174.14 2ksh n ASP 57 N -0.30 2.56 -4.56 5.45 -0.08 -1.26 -3.70 116.55 114.66 2ksh n ASP 57 Ca -0.03 -2.06 -0.35 0.00 -1.51 0.00 0.00 54.79 50.84 2ksh n ASP 57 Cb 0.63 -0.15 0.10 0.00 2.34 0.00 0.00 41.12 44.04 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 0.00 -0.30 -4.26 1.67 2.03 -1.26 -4.98 116.55 109.46 2ksh n ASP 58 Ca 0.07 0.56 -0.29 0.00 0.52 0.00 0.00 54.79 55.65 2ksh n ASP 58 Cb 0.37 -1.35 0.21 0.00 -0.72 0.00 0.00 41.12 39.64 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 -2.04 0.67 0.09 -1.67 0.00 -1.26 -4.93 121.76 112.62 2ksh s ALA 59 Ca 0.68 -0.64 -0.26 0.00 0.00 0.00 0.00 51.96 51.74 2ksh s ALA 59 Cb -0.31 -3.01 0.07 0.00 0.00 0.00 0.00 23.12 19.87 2ksh s ALA 59 CO 0.56 -3.28 0.63 0.00 0.00 0.00 0.00 175.76 173.66 2ksh s ALA 60 N -2.96 -1.65 0.64 0.00 0.00 -1.26 -4.89 121.76 111.64 2ksh s ALA 60 Ca 0.68 0.78 0.37 0.00 0.00 0.00 0.00 51.96 53.79 2ksh s ALA 60 Cb -0.15 0.57 2.06 0.00 0.00 0.00 0.00 23.12 25.61 2ksh s ALA 60 CO 0.57 -0.63 2.23 0.93 0.00 0.00 0.00 175.76 178.87 2ksh h GLU 61 N 2.36 0.00 -2.75 0.00 4.39 -1.64 -3.43 114.58 113.51 2ksh h GLU 61 Ca -0.32 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.34 2ksh h GLU 61 Cb 1.25 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.75 2ksh h GLU 61 CO 0.38 0.00 0.11 0.00 -1.16 0.00 0.00 179.01 178.35 2ksh s ALA 62 N -4.32 -1.47 -0.09 3.43 0.00 -1.25 -2.84 121.76 115.22 2ksh s ALA 62 Ca -0.05 0.65 0.02 0.00 0.00 0.00 0.00 51.96 52.58 2ksh s ALA 62 Cb 0.13 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.77 2ksh s ALA 62 CO 0.44 -0.58 -0.13 0.99 0.00 0.00 0.00 175.76 176.48 2ksh s THR 63 N -2.73 1.29 -0.22 0.00 2.01 -0.74 -1.26 115.64 113.98 2ksh s THR 63 Ca -0.04 -0.53 -0.02 0.00 0.31 0.00 0.00 61.69 61.41 2ksh s THR 63 Cb -0.00 -1.20 0.01 0.00 0.01 0.00 0.00 72.50 71.32 2ksh s THR 63 CO -0.04 0.40 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.99 2ksh s LEU 64 N 0.99 2.86 -0.16 4.42 1.98 0.96 0.10 118.68 129.83 2ksh s LEU 64 Ca -0.08 -0.60 -0.04 0.00 -2.89 0.00 0.00 54.13 50.52 2ksh s LEU 64 Cb -0.15 -1.67 -0.03 0.00 0.66 0.00 0.00 46.19 45.01 2ksh s LEU 64 CO -0.01 -0.05 -0.04 -0.89 -1.89 0.00 0.00 176.35 173.47 2ksh s THR 65 N 1.39 3.85 -0.15 3.68 2.01 -1.01 -0.21 115.64 125.20 2ksh s THR 65 Ca 0.04 -0.37 -0.26 0.00 0.31 0.00 0.00 61.69 61.40 2ksh s THR 65 Cb -0.15 -2.69 0.07 0.00 0.01 0.00 0.00 72.50 69.74 2ksh s THR 65 CO -0.05 0.49 0.66 -0.04 -0.69 0.00 0.00 174.62 174.99 2ksh s MET 66 N 0.43 0.91 0.66 4.92 -1.94 -0.84 -3.19 119.30 120.25 2ksh s MET 66 Ca -0.04 0.58 -0.18 0.00 -1.71 0.00 0.00 55.69 54.35 2ksh s MET 66 Cb -0.14 0.43 -0.01 0.00 2.01 0.00 0.00 34.83 37.12 2ksh s MET 66 CO 0.03 -0.20 1.23 0.39 -0.01 0.00 0.00 175.02 176.46 2ksh n GLU 67 N 1.84 0.98 -0.19 2.03 -0.58 -1.26 -3.71 120.64 119.75 2ksh n GLU 67 Ca -0.17 0.39 -0.01 0.00 -0.42 0.00 0.00 57.16 56.95 2ksh n GLU 67 Cb 0.56 -2.47 0.06 0.00 -0.57 0.00 0.00 31.44 29.02 2ksh n GLU 67 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2ksh h ASP 68 N 0.36 -0.45 0.15 1.62 3.58 -1.90 0.57 116.42 120.35 2ksh h ASP 68 Ca -0.50 0.16 -0.05 0.00 0.42 0.00 0.00 57.03 57.06 2ksh h ASP 68 Cb 1.34 0.32 -0.01 0.00 1.72 0.00 0.00 39.33 42.70 2ksh h ASP 68 CO 0.52 -0.16 -0.19 -0.78 -2.88 0.00 0.00 179.24 175.74 2ksh h ASP 69 N 0.03 0.08 0.05 2.28 3.58 -1.90 -2.61 116.42 117.94 2ksh h ASP 69 Ca 0.28 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.71 2ksh h ASP 69 Cb 0.44 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.47 2ksh h ASP 69 CO -0.56 0.28 -0.03 0.40 -2.88 0.00 0.00 179.24 176.46 2ksh h ILE 70 N 0.08 1.27 -0.89 2.25 1.08 -0.84 -2.94 117.51 117.52 2ksh h ILE 70 Ca 0.01 -1.52 0.20 0.00 -0.39 0.00 0.00 64.86 63.17 2ksh h ILE 70 Cb 0.39 2.21 -0.06 0.00 -3.07 0.00 0.00 36.82 36.29 2ksh h ILE 70 CO 0.03 0.36 0.59 -0.03 -0.69 0.00 0.00 178.15 178.41 2ksh h MET 71 N -0.80 0.38 -0.39 2.37 1.85 0.02 0.67 114.93 119.03 2ksh h MET 71 Ca -0.01 -0.02 -0.16 0.00 -0.61 0.00 0.00 59.70 58.90 2ksh h MET 71 Cb 0.64 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 32.58 2ksh h MET 71 CO 0.01 0.25 -0.37 0.35 -0.40 0.00 0.00 176.91 176.76 2ksh h PHE 72 N 0.39 1.12 -0.11 1.39 3.57 -1.50 0.44 116.94 122.23 2ksh h PHE 72 Ca 0.46 -0.33 0.02 0.00 3.53 0.00 0.00 57.97 61.65 2ksh h PHE 72 Cb 1.18 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 2ksh h PHE 72 CO -0.00 1.16 -0.02 0.00 -2.23 0.00 0.00 178.31 177.22 2ksh h ALA 73 N 0.77 0.08 0.00 2.41 0.00 -0.69 0.27 119.26 122.10 2ksh h ALA 73 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2ksh h ALA 73 Cb 0.96 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2ksh h ALA 73 CO 0.09 -0.48 -0.29 0.82 0.00 0.00 0.00 179.25 179.39 2ksh h ILE 74 N 0.01 0.00 0.20 0.00 5.03 -1.45 0.69 117.51 121.99 2ksh h ILE 74 Ca 0.05 -0.72 -0.31 0.00 -0.12 0.00 0.00 64.86 63.76 2ksh h ILE 74 Cb 0.07 1.55 0.02 0.00 -3.03 0.00 0.00 36.82 35.44 2ksh h ILE 74 CO -0.10 0.00 -1.41 1.23 -0.68 0.00 0.00 178.15 177.19 2ksh h GLY 75 N 4.28 0.48 -0.99 5.37 0.00 0.39 -3.26 103.07 109.35 2ksh h GLY 75 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 47.33 46.10 2ksh h GLY 75 CO 0.00 1.07 0.00 -0.37 0.00 0.00 0.00 176.54 177.24 2ksh n THR 76 N -3.63 0.33 -1.07 4.70 5.66 0.90 -4.88 114.28 116.29 2ksh n THR 76 Ca -0.14 -0.39 -0.02 0.00 -3.05 0.00 0.00 64.05 60.45 2ksh n THR 76 Cb 1.07 0.27 -0.01 0.00 -1.55 0.00 0.00 70.33 70.11 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 1.06 0.57 0.00 1.09 0.00 -1.21 -4.97 105.19 101.73 2ksh n GLY 77 Ca 0.13 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 1.04 -0.12 -2.75 4.61 0.00 0.22 -4.86 120.51 118.64 2ksh n ALA 78 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.06 2ksh n ALA 78 Cb 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.50 2ksh n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ksh s LEU 79 N -3.02 4.38 0.14 0.00 1.43 0.04 -4.96 118.68 116.70 2ksh s LEU 79 Ca 0.00 0.59 -0.31 0.00 -1.03 0.00 0.00 54.13 53.38 2ksh s LEU 79 Cb 0.00 -2.59 -0.08 0.00 0.03 0.00 0.00 46.19 43.56 2ksh s LEU 79 CO 0.00 0.28 1.34 -2.16 0.23 0.00 0.00 176.35 176.04 2ksh s PRO 80 N -1.60 4.35 0.54 1.29 0.04 -1.26 -3.84 135.00 134.53 2ksh s PRO 80 Ca 0.25 2.03 0.27 0.00 0.04 0.00 0.00 61.00 63.60 2ksh s PRO 80 Cb -0.13 -3.24 1.56 0.00 0.04 0.00 0.00 34.50 32.73 2ksh s PRO 80 CO 0.14 -0.36 2.15 0.00 0.04 0.00 0.00 177.00 178.97 2ksh h ALA 81 N 6.34 1.46 0.49 8.56 0.00 -1.95 -2.57 119.26 131.58 2ksh h ALA 81 Ca -0.43 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2ksh h ALA 81 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2ksh h ALA 81 CO 0.83 0.09 -0.24 0.87 0.00 0.00 0.00 179.25 180.80 2ksh h LYS 82 N 0.00 -0.64 -0.01 0.00 1.57 -1.99 -2.64 116.57 112.86 2ksh h LYS 82 Ca -0.00 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 2ksh h LYS 82 Cb 0.17 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 2ksh h LYS 82 CO 0.01 -0.33 -0.20 0.93 -0.57 0.00 0.00 179.45 179.29 2ksh h GLU 83 N -1.02 -0.30 -1.00 3.15 4.39 -1.93 -0.73 114.58 117.14 2ksh h GLU 83 Ca -0.07 0.02 0.26 0.00 0.34 0.00 0.00 59.36 59.92 2ksh h GLU 83 Cb 0.60 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.25 2ksh h GLU 83 CO 0.11 -0.20 0.68 0.00 -1.16 0.00 0.00 179.01 178.44 2ksh h ALA 84 N 0.59 2.52 -0.02 3.43 0.00 -1.54 0.43 119.26 124.67 2ksh h ALA 84 Ca 0.06 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 2ksh h ALA 84 Cb 0.39 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.23 2ksh h ALA 84 CO -0.19 -0.86 -0.51 1.98 0.00 0.00 0.00 179.25 179.67 2ksh h MET 85 N 0.24 0.38 0.00 0.00 -1.53 -0.83 -0.01 114.93 113.18 2ksh h MET 85 Ca 0.52 -0.38 -0.01 0.00 -3.44 0.00 0.00 59.70 56.39 2ksh h MET 85 Cb 1.61 0.10 -0.00 0.00 -0.55 0.00 0.00 31.60 32.76 2ksh h MET 85 CO -0.15 1.05 -0.06 0.00 0.14 0.00 0.00 176.91 177.89 2ksh h ALA 86 N 0.34 1.02 -0.38 0.39 0.00 0.40 -2.42 119.26 118.62 2ksh h ALA 86 Ca -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2ksh h ALA 86 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2ksh h ALA 86 CO 0.10 0.07 0.00 1.04 0.00 0.00 0.00 179.25 180.46 2ksh n GLN 87 N -3.18 2.75 -1.97 0.00 1.13 0.13 -4.88 117.38 111.35 2ksh n GLN 87 Ca 0.00 -1.72 -0.12 0.00 -1.94 0.00 0.00 57.00 53.22 2ksh n GLN 87 Cb 0.33 -1.69 -0.02 0.00 0.11 0.00 0.00 30.24 28.96 2ksh n GLN 87 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2ksh n ASP 88 N 0.53 -3.50 -0.98 1.08 2.03 -0.91 -4.78 116.55 110.03 2ksh n ASP 88 Ca 0.15 0.24 0.09 0.00 0.52 0.00 0.00 54.79 55.80 2ksh n ASP 88 Cb 0.62 -3.11 0.25 0.00 -0.72 0.00 0.00 41.12 38.16 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 -2.36 2.24 -3.52 -0.67 5.02 -0.03 -4.92 118.16 113.93 2ksh n LYS 89 Ca -0.13 -1.92 -0.13 0.00 -2.02 0.00 0.00 58.31 54.11 2ksh n LYS 89 Cb 0.51 -1.43 -0.04 0.00 -0.02 0.00 0.00 35.03 34.05 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 -1.33 0.92 0.13 1.97 0.23 -1.13 -4.85 119.30 115.24 2ksh s MET 90 Ca 0.36 -0.01 0.07 0.00 -1.03 0.00 0.00 55.69 55.09 2ksh s MET 90 Cb 0.19 0.43 -0.04 0.00 -1.53 0.00 0.00 34.83 33.88 2ksh s MET 90 CO 0.25 -0.33 -0.16 -1.83 -2.03 0.00 0.00 175.02 170.92 2ksh s GLU 91 N -1.99 1.11 -0.05 3.16 1.03 -1.19 -4.76 118.70 116.02 2ksh s GLU 91 Ca -0.03 -1.28 -0.05 0.00 0.03 0.00 0.00 54.97 53.65 2ksh s GLU 91 Cb -0.00 -1.11 0.01 0.00 -0.80 0.00 0.00 34.13 32.23 2ksh s GLU 91 CO -0.00 0.23 0.14 0.08 -1.33 0.00 0.00 175.26 174.37 2ksh s VAL 92 N -1.95 -0.00 0.38 1.83 1.01 -1.26 -2.41 120.40 118.00 2ksh s VAL 92 Ca 0.10 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.18 2ksh s VAL 92 Cb -0.06 -0.20 -0.07 0.00 0.00 0.00 0.00 36.38 36.05 2ksh s VAL 92 CO 0.04 0.01 -0.03 -1.81 0.00 0.00 0.00 175.10 173.31 2ksh s ASP 93 N 0.15 3.77 0.63 3.32 1.01 0.11 -4.94 116.67 120.73 2ksh s ASP 93 Ca -0.01 -1.30 0.00 0.00 0.71 0.00 0.00 52.55 51.95 2ksh s ASP 93 Cb -0.02 -0.37 0.00 0.00 1.01 0.00 0.00 42.92 43.54 2ksh s ASP 93 CO -0.00 -0.36 0.00 0.61 0.21 0.00 0.00 175.17 175.63 2ksh n GLY 94 N -0.89 1.09 3.37 0.21 0.00 -1.26 -1.79 105.19 105.92 2ksh n GLY 94 Ca -0.05 -0.85 -0.45 0.00 0.00 0.00 0.00 46.02 44.67 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 3.36 0.52 1.61 -1.52 -1.13 -4.89 119.66 117.62 2ksh s GLN 95 Ca 0.00 -1.86 0.24 0.00 -1.95 0.00 0.00 55.36 51.79 2ksh s GLN 95 Cb 0.00 -4.47 1.37 0.00 -0.22 0.00 0.00 33.01 29.68 2ksh s GLN 95 CO 0.00 -1.49 2.01 0.28 -0.25 0.00 0.00 175.29 175.84 2ksh h VAL 96 N 5.49 0.76 0.00 1.09 2.07 -1.92 0.28 116.25 124.03 2ksh h VAL 96 Ca -0.05 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 2ksh h VAL 96 Cb 1.06 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2ksh h VAL 96 CO 0.97 0.00 -0.28 1.05 0.02 0.00 0.00 177.57 179.33 2ksh h GLU 97 N 0.02 0.00 0.05 1.57 4.11 -1.98 -3.10 114.58 115.26 2ksh h GLU 97 Ca 0.24 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.66 2ksh h GLU 97 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2ksh h GLU 97 CO -0.01 0.28 -0.03 -0.07 0.07 0.00 0.00 179.01 179.26 2ksh h LEU 98 N 0.00 -0.06 -1.98 3.06 3.38 -0.86 -3.22 115.31 115.63 2ksh h LEU 98 Ca -0.00 -0.48 0.16 0.00 0.09 0.00 0.00 57.88 57.65 2ksh h LEU 98 Cb 0.92 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 2ksh h LEU 98 CO 0.04 0.64 0.49 -0.29 0.09 0.00 0.00 178.44 179.40 2ksh h ILE 99 N -0.96 0.50 -0.29 1.22 6.09 -1.51 0.19 117.51 122.76 2ksh h ILE 99 Ca -0.01 0.00 -0.15 0.00 -1.37 0.00 0.00 64.86 63.34 2ksh h ILE 99 Cb 0.54 0.64 -0.01 0.00 0.47 0.00 0.00 36.82 38.46 2ksh h ILE 99 CO 0.01 0.00 -0.41 0.15 -3.07 0.00 0.00 178.15 174.83 2ksh h PHE 100 N 0.00 0.83 0.00 2.19 3.04 -1.60 -2.64 116.94 118.77 2ksh h PHE 100 Ca 0.27 -0.25 0.00 0.00 3.98 0.00 0.00 57.97 61.97 2ksh h PHE 100 Cb 1.24 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.57 2ksh h PHE 100 CO 0.00 0.99 0.00 1.28 -2.02 0.00 0.00 178.31 178.56 2ksh n LEU 101 N -4.03 0.59 0.06 0.59 7.99 0.65 -1.92 117.00 120.93 2ksh n LEU 101 Ca -0.02 0.72 -0.20 0.00 -0.01 0.00 0.00 56.01 56.50 2ksh n LEU 101 Cb 0.54 -0.72 -0.15 0.00 -0.11 0.00 0.00 43.42 42.98 2ksh n LEU 101 CO 0.46 -0.78 -0.46 -0.07 -1.51 0.00 0.00 177.39 175.04 2ksh h LEU 102 N 0.00 0.49 -0.92 2.23 3.38 -1.43 -3.28 115.31 115.77 2ksh h LEU 102 Ca 0.00 -0.73 0.10 0.00 0.09 0.00 0.00 57.88 57.35 2ksh h LEU 102 Cb 0.16 -0.16 -0.12 0.00 0.09 0.00 0.00 40.66 40.62 2ksh h LEU 102 CO 0.00 1.61 -0.47 1.21 0.09 0.00 0.00 178.44 180.88 2ksh n GLU 103 N -3.50 -0.33 0.14 1.13 0.00 -0.81 0.52 120.64 117.78 2ksh n GLU 103 Ca -0.21 1.40 -0.00 0.00 0.00 0.00 0.00 57.16 58.34 2ksh n GLU 103 Cb 1.06 -2.06 0.25 0.00 0.00 0.00 0.00 31.44 30.69 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 0.07 0.00 5.31 0.13 -1.73 -2.78 132.00 133.00 2ksh h PRO 104 Ca 0.21 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2ksh h PRO 104 Cb 0.44 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.57 2ksh h PRO 104 CO -0.88 0.54 0.00 0.35 -0.23 0.00 0.00 178.00 177.78 2ksh h PHE 105 N 0.06 0.00 -0.43 1.56 3.57 0.01 -2.52 116.94 119.18 2ksh h PHE 105 Ca 0.00 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.63 2ksh h PHE 105 Cb 0.87 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 2ksh h PHE 105 CO 0.00 0.00 0.37 0.82 -2.23 0.00 0.00 178.31 177.27 2ksh h ILE 106 N 0.00 0.58 0.00 1.41 2.04 -0.81 0.25 117.51 120.98 2ksh h ILE 106 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2ksh h ILE 106 Cb 0.23 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2ksh h ILE 106 CO 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 178.15 178.07 2ksh h ALA 107 N 1.67 1.30 0.06 1.87 0.00 -1.67 -1.46 119.26 121.03 2ksh h ALA 107 Ca 0.21 -0.07 -0.32 0.00 0.00 0.00 0.00 54.91 54.72 2ksh h ALA 107 Cb 0.94 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2ksh h ALA 107 CO -0.00 0.10 -1.81 1.03 0.00 0.00 0.00 179.25 178.57 2ksh h SER 108 N 0.00 0.18 -0.79 0.00 0.87 -0.72 -3.34 113.55 109.75 2ksh h SER 108 Ca -0.00 -0.40 -0.36 0.00 -1.23 0.00 0.00 61.79 59.80 2ksh h SER 108 Cb 0.24 -0.06 -0.22 0.00 -0.44 0.00 0.00 62.40 61.93 2ksh h SER 108 CO 0.01 1.36 0.46 0.18 -0.53 0.00 0.00 176.83 178.31 2ksh n LEU 109 N -3.24 5.99 0.00 2.23 4.32 -0.96 -4.99 117.00 120.35 2ksh n LEU 109 Ca -0.23 -3.17 0.00 0.00 -0.02 0.00 0.00 56.01 52.60 2ksh n LEU 109 Cb 1.05 -0.77 0.00 0.00 -1.62 0.00 0.00 43.42 42.08 2ksh n LEU 109 CO 0.44 0.90 0.00 1.17 -1.22 0.00 0.00 177.39 178.68