#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 1.11 -0.04 7.83 0.01 -1.26 -5.15 113.70 116.19 2ksh s SER 2 Ca 0.00 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 56.79 2ksh s SER 2 Cb 0.00 -0.02 -0.03 0.00 0.21 0.00 0.00 66.02 66.18 2ksh s SER 2 CO 0.00 -0.10 -0.03 -0.76 0.41 0.00 0.00 173.24 172.77 2ksh s LEU 3 N -1.29 3.39 0.32 2.44 1.43 -1.26 -5.01 118.68 118.69 2ksh s LEU 3 Ca -0.05 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 2ksh s LEU 3 Cb -0.08 -1.84 0.57 0.00 0.03 0.00 0.00 46.19 44.87 2ksh s LEU 3 CO 0.01 0.33 1.93 0.50 0.23 0.00 0.00 176.35 179.35 2ksh h LYS 4 N 4.86 0.94 -0.60 1.70 1.63 -2.01 -0.87 116.57 122.21 2ksh h LYS 4 Ca -0.49 -0.06 0.17 0.00 -0.85 0.00 0.00 60.65 59.42 2ksh h LYS 4 Cb 1.18 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 32.57 2ksh h LYS 4 CO 0.55 0.62 0.48 0.66 -3.45 0.00 0.00 179.45 178.31 2ksh h SER 5 N 0.97 0.00 -0.96 4.20 4.64 -1.96 0.21 113.55 120.66 2ksh h SER 5 Ca 0.36 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.80 2ksh h SER 5 Cb 0.16 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.17 2ksh h SER 5 CO -0.12 0.00 0.61 -0.78 -0.87 0.00 0.00 176.83 175.67 2ksh h ASP 6 N 0.00 0.85 -0.70 4.97 1.82 -1.56 0.22 116.42 122.02 2ksh h ASP 6 Ca 0.28 0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 56.96 2ksh h ASP 6 Cb 1.24 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 41.09 2ksh h ASP 6 CO -0.00 0.45 0.43 -0.33 -1.61 0.00 0.00 179.24 178.18 2ksh h GLU 7 N 0.91 0.94 -0.08 0.28 5.08 -1.10 0.32 114.58 120.93 2ksh h GLU 7 Ca 0.47 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.60 2ksh h GLU 7 Cb 0.53 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.59 2ksh h GLU 7 CO -0.24 0.66 -0.53 0.28 -1.00 0.00 0.00 179.01 178.18 2ksh h VAL 8 N 0.95 1.38 -0.48 3.13 2.07 -1.31 -2.60 116.25 119.39 2ksh h VAL 8 Ca 0.25 -1.89 -0.06 0.00 0.82 0.00 0.00 66.70 65.83 2ksh h VAL 8 Cb -0.04 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2ksh h VAL 8 CO -0.05 0.56 0.06 -0.26 0.02 0.00 0.00 177.57 177.90 2ksh h PHE 9 N 0.07 0.78 -0.07 1.57 0.04 -0.46 0.20 116.94 119.07 2ksh h PHE 9 Ca -0.04 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.62 2ksh h PHE 9 Cb 1.19 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 39.11 2ksh h PHE 9 CO 0.12 0.70 -0.01 0.00 -0.60 0.00 0.00 178.31 178.52 2ksh h ALA 10 N 1.35 0.10 -0.57 2.45 0.00 -0.40 -1.56 119.26 120.62 2ksh h ALA 10 Ca 0.15 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2ksh h ALA 10 Cb 0.36 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2ksh h ALA 10 CO 0.01 -0.19 0.00 1.57 0.00 0.00 0.00 179.25 180.63 2ksh h LYS 11 N -0.18 0.99 -0.00 0.00 2.10 -1.33 -2.83 116.57 115.31 2ksh h LYS 11 Ca 0.02 -0.30 -0.00 0.00 -2.00 0.00 0.00 60.65 58.37 2ksh h LYS 11 Cb 0.39 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 31.62 2ksh h LYS 11 CO 0.01 0.97 0.00 0.82 -2.00 0.00 0.00 179.45 179.25 2ksh h ILE 12 N 0.91 1.08 -0.58 0.07 2.04 -0.92 -2.83 117.51 117.28 2ksh h ILE 12 Ca 0.17 -0.24 0.10 0.00 1.00 0.00 0.00 64.86 65.88 2ksh h ILE 12 Cb 0.53 1.24 -0.08 0.00 -0.74 0.00 0.00 36.82 37.77 2ksh h ILE 12 CO 0.03 0.06 0.15 0.00 0.00 0.00 0.00 178.15 178.39 2ksh h ALA 13 N 0.90 0.70 -0.90 1.87 0.00 -1.22 -0.24 119.26 120.37 2ksh h ALA 13 Ca 0.00 0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.15 2ksh h ALA 13 Cb 0.10 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 2ksh h ALA 13 CO -0.00 -0.27 0.58 -0.22 0.00 0.00 0.00 179.25 179.34 2ksh h LYS 14 N 0.30 0.78 -0.34 0.00 3.64 -1.34 -0.37 116.57 119.24 2ksh h LYS 14 Ca 0.30 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.53 2ksh h LYS 14 Cb 0.42 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2ksh h LYS 14 CO -0.36 0.52 -0.21 -0.09 -2.27 0.00 0.00 179.45 177.04 2ksh h ARG 15 N 0.80 0.65 -0.02 1.90 1.12 -0.82 -2.48 114.38 115.54 2ksh h ARG 15 Ca 0.44 -0.24 0.01 0.00 -1.11 0.00 0.00 59.98 59.07 2ksh h ARG 15 Cb 0.57 -0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.49 2ksh h ARG 15 CO -0.20 0.81 0.06 -0.07 -3.11 0.00 0.00 179.97 177.46 2ksh h LEU 16 N 0.58 0.00 -0.51 3.80 3.38 -0.46 0.18 115.31 122.28 2ksh h LEU 16 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2ksh h LEU 16 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2ksh h LEU 16 CO 0.05 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.25 2ksh h GLU 17 N 0.00 0.00 -0.00 1.13 5.08 -1.35 -2.82 114.58 116.62 2ksh h GLU 17 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2ksh h GLU 17 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2ksh h GLU 17 CO -0.00 0.00 -0.48 0.45 -1.00 0.00 0.00 179.01 177.98 2ksh n SER 18 N -2.66 0.53 -4.72 1.42 2.88 0.63 -4.93 113.62 106.77 2ksh n SER 18 Ca 0.03 -0.29 -0.40 0.00 -1.33 0.00 0.00 58.87 56.89 2ksh n SER 18 Cb 0.38 0.24 0.03 0.00 -0.75 0.00 0.00 64.21 64.10 2ksh n SER 18 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2ksh n ILE 19 N -1.44 3.18 -4.38 2.46 5.41 -1.07 -5.02 119.36 118.50 2ksh n ILE 19 Ca 0.06 -0.50 -0.28 0.00 1.00 0.00 0.00 62.75 63.03 2ksh n ILE 19 Cb 0.34 -1.60 -0.12 0.00 -0.71 0.00 0.00 39.64 37.55 2ksh n ILE 19 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2ksh s ASP 20 N -0.74 3.51 0.41 4.38 1.11 -1.26 -5.03 116.67 119.05 2ksh s ASP 20 Ca 0.66 -0.75 0.20 0.00 0.18 0.00 0.00 52.55 52.84 2ksh s ASP 20 Cb -0.46 -0.32 0.86 0.00 1.07 0.00 0.00 42.92 44.07 2ksh s ASP 20 CO 0.54 0.15 1.82 1.55 1.18 0.00 0.00 175.17 180.41 2ksh h PRO 21 N 3.54 0.00 0.44 8.23 0.13 -2.01 -3.23 132.00 139.10 2ksh h PRO 21 Ca -0.49 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 32.31 2ksh h PRO 21 CO 0.44 0.32 -0.26 0.00 -0.23 0.00 0.00 178.00 178.27 2ksh h ALA 22 N 1.68 -0.66 -2.74 -0.56 0.00 -2.03 -3.39 119.26 111.57 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 0.73 0.31 -0.20 0.00 0.00 0.00 0.00 17.79 18.63 2ksh h ALA 22 CO 0.04 -0.88 -0.49 -0.80 0.00 0.00 0.00 179.25 177.12 2ksh s ASN 23 N -4.62 5.94 -0.30 0.00 0.01 -1.22 -4.97 114.94 109.78 2ksh s ASN 23 Ca -0.16 -0.49 -0.14 0.00 -0.71 0.00 0.00 52.86 51.36 2ksh s ASN 23 Cb 0.05 -2.11 0.19 0.00 0.41 0.00 0.00 41.25 39.79 2ksh s ASN 23 CO 0.63 -0.24 1.16 -0.13 -1.51 0.00 0.00 177.10 177.01 2ksh s ARG 24 N 1.69 0.01 0.00 -0.60 0.52 -1.26 -4.53 118.95 114.78 2ksh s ARG 24 Ca 0.06 -0.00 0.00 0.00 -0.52 0.00 0.00 55.73 55.26 2ksh s ARG 24 Cb -0.17 0.00 0.00 0.00 0.52 0.00 0.00 34.95 35.30 2ksh s ARG 24 CO 0.09 -0.01 0.56 1.04 0.02 0.00 0.00 175.30 177.00 2ksh n GLN 25 N 3.57 0.00 -5.16 3.54 3.00 -1.26 -4.87 117.38 116.20 2ksh n GLN 25 Ca 0.04 0.42 -0.29 0.00 -0.01 0.00 0.00 57.00 57.17 2ksh n GLN 25 Cb 0.65 -1.23 -0.16 0.00 0.00 0.00 0.00 30.24 29.50 2ksh n GLN 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2ksh s VAL 26 N -1.97 1.84 -0.20 5.09 0.11 -1.26 -5.12 120.40 118.88 2ksh s VAL 26 Ca 0.00 -0.99 -0.07 0.00 -2.93 0.00 0.00 61.98 57.99 2ksh s VAL 26 Cb 0.00 -1.53 0.09 0.00 -1.53 0.00 0.00 36.38 33.41 2ksh s VAL 26 CO 0.00 0.52 0.43 -1.61 -3.33 0.00 0.00 175.10 171.11 2ksh s GLU 27 N -0.52 0.34 0.23 1.54 0.41 -1.26 -5.11 118.70 114.33 2ksh s GLU 27 Ca 0.08 1.05 -0.03 0.00 -0.41 0.00 0.00 54.97 55.67 2ksh s GLU 27 Cb -0.09 0.35 -0.03 0.00 -1.78 0.00 0.00 34.13 32.58 2ksh s GLU 27 CO -0.01 -0.24 0.22 -1.01 -0.49 0.00 0.00 175.26 173.74 2ksh s HIS 28 N 2.57 1.04 0.10 1.61 3.76 -1.26 -5.05 115.29 118.06 2ksh s HIS 28 Ca -0.02 -1.27 -0.30 0.00 -0.15 0.00 0.00 55.06 53.32 2ksh s HIS 28 Cb -0.12 -0.40 -0.06 0.00 1.11 0.00 0.00 32.58 33.11 2ksh s HIS 28 CO -0.13 -0.75 1.00 0.08 -0.85 0.00 0.00 174.74 174.09 2ksh s VAL 29 N -4.03 4.43 -0.03 -0.90 1.01 -1.26 -4.67 120.40 114.94 2ksh s VAL 29 Ca 0.35 1.97 0.06 0.00 0.00 0.00 0.00 61.98 64.36 2ksh s VAL 29 Cb 0.05 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 2ksh s VAL 29 CO 0.13 0.28 -0.20 -0.31 0.00 0.00 0.00 175.10 175.00 2ksh s TYR 30 N 0.16 1.89 -0.14 5.22 1.51 -1.25 -1.50 117.35 123.25 2ksh s TYR 30 Ca 0.49 -0.45 -0.07 0.00 -1.01 0.00 0.00 57.07 56.02 2ksh s TYR 30 Cb -0.24 -1.24 -0.04 0.00 -0.11 0.00 0.00 41.96 40.33 2ksh s TYR 30 CO 0.30 -0.10 0.12 0.15 -1.11 0.00 0.00 175.55 174.91 2ksh s LYS 31 N -0.27 3.64 -0.11 -0.62 1.02 -0.69 -2.31 119.74 120.41 2ksh s LYS 31 Ca 0.03 -0.19 0.04 0.00 0.02 0.00 0.00 55.97 55.87 2ksh s LYS 31 Cb -0.10 -3.23 0.00 0.00 -0.52 0.00 0.00 37.83 33.99 2ksh s LYS 31 CO 0.01 0.61 -0.24 -0.06 -0.92 0.00 0.00 175.35 174.75 2ksh s PHE 32 N -0.56 2.57 -0.26 3.18 0.08 -0.32 -0.04 117.98 122.64 2ksh s PHE 32 Ca 0.12 -1.09 -0.04 0.00 0.12 0.00 0.00 56.93 56.04 2ksh s PHE 32 Cb -0.12 -1.72 0.01 0.00 -0.57 0.00 0.00 43.02 40.62 2ksh s PHE 32 CO 0.02 -0.45 0.00 1.03 -0.10 0.00 0.00 175.22 175.73 2ksh s ARG 33 N 0.41 3.02 -0.28 0.44 0.52 0.93 0.27 118.95 124.26 2ksh s ARG 33 Ca -0.17 -0.88 -0.18 0.00 -0.52 0.00 0.00 55.73 53.98 2ksh s ARG 33 Cb -0.18 -3.16 -0.02 0.00 0.52 0.00 0.00 34.95 32.11 2ksh s ARG 33 CO 0.07 -0.39 0.53 0.42 0.02 0.00 0.00 175.30 175.95 2ksh s ILE 34 N 1.42 5.04 0.08 1.52 -1.09 -0.18 -1.95 121.20 126.05 2ksh s ILE 34 Ca 0.02 0.79 0.08 0.00 -2.23 0.00 0.00 60.65 59.31 2ksh s ILE 34 Cb -0.17 -3.87 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 2ksh s ILE 34 CO -0.01 0.00 -0.17 0.42 -1.23 0.00 0.00 174.94 173.95 2ksh s THR 35 N 2.37 2.86 -0.57 2.92 -4.23 -1.12 -0.35 115.64 117.53 2ksh s THR 35 Ca 0.21 -1.35 -0.17 0.00 -1.18 0.00 0.00 61.69 59.21 2ksh s THR 35 Cb -0.15 -2.27 0.13 0.00 1.34 0.00 0.00 72.50 71.54 2ksh s THR 35 CO 0.10 0.20 0.56 -1.10 -0.54 0.00 0.00 174.62 173.84 2ksh s GLN 36 N -1.85 3.03 0.00 3.99 -1.52 0.13 -1.14 119.66 122.30 2ksh s GLN 36 Ca 0.17 -1.65 0.00 0.00 -1.95 0.00 0.00 55.36 51.92 2ksh s GLN 36 Cb -0.11 -4.30 0.00 0.00 -0.22 0.00 0.00 33.01 28.38 2ksh s GLN 36 CO 0.08 -1.38 0.00 0.41 -0.25 0.00 0.00 175.29 174.15 2ksh n GLY 37 N 5.21 2.30 0.00 3.09 0.00 -1.26 -2.96 105.19 111.57 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 -0.44 0.00 3.35 -0.02 0.00 -1.26 -5.00 105.19 101.82 2ksh n GLY 38 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 3.41 0.20 1.61 -2.85 -1.15 -5.02 119.74 115.95 2ksh s LYS 39 Ca 0.00 -0.64 -0.32 0.00 -1.00 0.00 0.00 55.97 54.01 2ksh s LYS 39 Cb 0.00 -2.85 -0.14 0.00 -2.06 0.00 0.00 37.83 32.78 2ksh s LYS 39 CO 0.00 0.01 1.40 0.28 0.10 0.00 0.00 175.35 177.14 2ksh n VAL 40 N 4.15 0.70 0.00 1.79 0.31 -1.26 0.21 118.33 124.22 2ksh n VAL 40 Ca -0.18 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 2ksh n VAL 40 Cb 0.52 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 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 2.18 0.00 -3.65 2.52 3.14 0.53 -4.80 118.33 118.25 2ksh n VAL 41 Ca 0.14 -0.12 -0.01 0.00 -2.96 0.00 0.00 64.34 61.39 2ksh n VAL 41 Cb 0.29 0.59 -0.01 0.00 -1.06 0.00 0.00 33.84 33.65 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 -1.57 0.62 -0.05 1.45 2.20 -0.92 -5.04 119.74 116.44 2ksh s LYS 42 Ca 0.00 -0.33 -0.02 0.00 -0.36 0.00 0.00 55.97 55.26 2ksh s LYS 42 Cb 0.00 0.22 0.04 0.00 -1.51 0.00 0.00 37.83 36.58 2ksh s LYS 42 CO 0.00 -0.28 0.10 0.54 -0.36 0.00 0.00 175.35 175.35 2ksh s ASN 43 N -2.85 0.31 0.20 1.43 2.20 -1.26 -1.01 114.94 113.96 2ksh s ASN 43 Ca 0.13 0.20 0.06 0.00 -0.94 0.00 0.00 52.86 52.30 2ksh s ASN 43 Cb 0.02 0.08 -0.04 0.00 -2.00 0.00 0.00 41.25 39.31 2ksh s ASN 43 CO -0.03 -0.18 0.13 0.26 -2.94 0.00 0.00 177.10 174.34 2ksh s TRP 44 N 1.52 3.07 -0.06 1.54 0.52 0.14 -4.35 118.94 121.33 2ksh s TRP 44 Ca -0.04 -0.07 0.02 0.00 0.02 0.00 0.00 56.10 56.02 2ksh s TRP 44 Cb -0.12 -1.44 0.01 0.00 -1.15 0.00 0.00 33.47 30.77 2ksh s TRP 44 CO -0.05 0.53 -0.11 0.08 0.02 0.00 0.00 176.95 177.42 2ksh s VAL 45 N -1.89 1.03 -0.29 4.03 1.01 -0.76 -1.17 120.40 122.35 2ksh s VAL 45 Ca 0.31 -0.43 -0.12 0.00 0.00 0.00 0.00 61.98 61.74 2ksh s VAL 45 Cb -0.09 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 2ksh s VAL 45 CO 0.23 0.33 0.23 -0.32 0.00 0.00 0.00 175.10 175.57 2ksh s MET 46 N 0.61 3.85 -0.45 2.72 1.75 -0.98 -2.45 119.30 124.36 2ksh s MET 46 Ca -0.12 -0.34 -0.25 0.00 -1.25 0.00 0.00 55.69 53.72 2ksh s MET 46 Cb -0.15 -3.70 0.03 0.00 2.84 0.00 0.00 34.83 33.85 2ksh s MET 46 CO 0.03 -0.26 0.90 -0.51 -0.65 0.00 0.00 175.02 174.52 2ksh s ASP 47 N 1.74 6.49 0.31 1.11 1.01 -0.63 -3.76 116.67 122.94 2ksh s ASP 47 Ca 0.08 0.11 0.24 0.00 0.71 0.00 0.00 52.55 53.69 2ksh s ASP 47 Cb -0.16 -2.44 0.48 0.00 1.01 0.00 0.00 42.92 41.81 2ksh s ASP 47 CO 0.11 -1.01 1.59 0.17 0.21 0.00 0.00 175.17 176.24 2ksh h LEU 48 N 10.46 0.00 0.10 1.23 -0.00 -1.86 0.32 115.31 125.56 2ksh h LEU 48 Ca -0.24 -0.02 -0.29 0.00 -0.00 0.00 0.00 57.88 57.33 2ksh h LEU 48 Cb 1.08 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.76 2ksh h LEU 48 CO 1.01 0.01 -1.23 0.11 -0.00 0.00 0.00 178.44 178.34 2ksh h LYS 49 N 0.00 0.58 0.00 0.17 1.57 -1.95 -3.33 116.57 113.61 2ksh h LYS 49 Ca 0.00 -0.78 0.00 0.00 -1.87 0.00 0.00 60.65 58.00 2ksh h LYS 49 Cb 0.88 0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.45 2ksh h LYS 49 CO 0.00 1.35 -1.27 0.09 -0.57 0.00 0.00 179.45 179.05 2ksh n ASN 50 N -3.76 0.82 -2.83 0.86 3.02 -1.24 -5.00 115.26 107.13 2ksh n ASN 50 Ca -0.13 -0.52 -0.16 0.00 -0.03 0.00 0.00 54.58 53.74 2ksh n ASN 50 Cb 0.98 1.36 0.06 0.00 -0.61 0.00 0.00 39.78 41.58 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 -1.73 -3.08 -3.97 2.41 0.31 0.11 -5.03 118.33 107.34 2ksh n VAL 51 Ca 0.00 -0.14 -0.10 0.00 -0.01 0.00 0.00 64.34 64.09 2ksh n VAL 51 Cb 0.36 -3.75 -0.12 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 -5.63 0.28 -0.15 5.55 2.20 -0.94 -4.65 119.74 116.39 2ksh s LYS 52 Ca 0.28 -0.49 -0.12 0.00 -0.36 0.00 0.00 55.97 55.28 2ksh s LYS 52 Cb -0.12 0.02 -0.05 0.00 -1.51 0.00 0.00 37.83 36.17 2ksh s LYS 52 CO 0.55 -0.02 0.25 -0.51 -0.36 0.00 0.00 175.35 175.26 2ksh s LEU 53 N -1.12 4.27 0.30 5.43 1.02 -1.26 -1.60 118.68 125.72 2ksh s LEU 53 Ca -0.11 0.48 -0.06 0.00 0.02 0.00 0.00 54.13 54.46 2ksh s LEU 53 Cb -0.08 -2.30 -0.00 0.00 0.02 0.00 0.00 46.19 43.84 2ksh s LEU 53 CO -0.01 0.17 0.46 0.68 0.02 0.00 0.00 176.35 177.67 2ksh s VAL 54 N 0.14 0.00 -0.41 -1.59 -7.23 -1.02 -5.01 120.40 105.28 2ksh s VAL 54 Ca 0.15 -1.55 -0.14 0.00 -1.81 0.00 0.00 61.98 58.63 2ksh s VAL 54 Cb -0.13 -2.51 0.03 0.00 0.56 0.00 0.00 36.38 34.33 2ksh s VAL 54 CO 0.03 0.00 0.29 -1.61 -0.31 0.00 0.00 175.10 173.50 2ksh s GLU 55 N -3.41 2.93 0.14 4.82 2.02 -1.26 -1.83 118.70 122.10 2ksh s GLU 55 Ca 0.28 -1.07 -0.08 0.00 0.02 0.00 0.00 54.97 54.13 2ksh s GLU 55 Cb -0.00 -3.94 -0.01 0.00 0.10 0.00 0.00 34.13 30.28 2ksh s GLU 55 CO 0.16 -0.77 0.23 0.45 0.02 0.00 0.00 175.26 175.35 2ksh s SER 56 N 1.73 0.10 -0.20 -0.19 0.15 -1.26 -4.96 113.70 109.07 2ksh s SER 56 Ca 0.04 -0.84 0.15 0.00 0.70 0.00 0.00 55.95 56.01 2ksh s SER 56 Cb -0.20 0.39 0.69 0.00 -1.71 0.00 0.00 66.02 65.19 2ksh s SER 56 CO 0.09 -0.82 1.60 0.47 1.20 0.00 0.00 173.24 175.78 2ksh n ASP 57 N -0.15 4.87 -4.78 5.45 8.00 -1.26 -4.40 116.55 124.28 2ksh n ASP 57 Ca -0.10 -2.91 -0.34 0.00 0.71 0.00 0.00 54.79 52.15 2ksh n ASP 57 Cb 0.63 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 2ksh n ASP 57 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2ksh s ASP 58 N -1.27 5.78 0.27 -2.24 2.15 -1.26 -5.03 116.67 115.08 2ksh s ASP 58 Ca 0.49 2.06 -0.15 0.00 0.43 0.00 0.00 52.55 55.38 2ksh s ASP 58 Cb 0.37 -2.57 -0.08 0.00 -0.30 0.00 0.00 42.92 40.34 2ksh s ASP 58 CO 0.14 -1.18 0.68 0.00 -0.17 0.00 0.00 175.17 174.64 2ksh s ALA 59 N -1.97 3.41 0.45 3.66 0.00 -1.26 -4.97 121.76 121.07 2ksh s ALA 59 Ca 0.70 -0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.67 2ksh s ALA 59 Cb -0.21 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 2ksh s ALA 59 CO 0.28 0.38 0.05 0.00 0.00 0.00 0.00 175.76 176.47 2ksh s ALA 60 N -1.83 3.44 0.66 0.00 0.00 -1.26 -5.01 121.76 117.75 2ksh s ALA 60 Ca 0.49 -1.11 0.43 0.00 0.00 0.00 0.00 51.96 51.77 2ksh s ALA 60 Cb -0.12 0.33 2.36 0.00 0.00 0.00 0.00 23.12 25.68 2ksh s ALA 60 CO 0.19 -0.16 2.36 0.93 0.00 0.00 0.00 175.76 179.08 2ksh h GLU 61 N 1.63 0.00 -2.76 0.00 4.39 -1.65 -3.44 114.58 112.74 2ksh h GLU 61 Ca -0.41 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.32 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 0.70 0.00 0.31 0.00 -1.16 0.00 0.00 179.01 178.85 2ksh s ALA 62 N -4.22 -1.64 -0.10 3.43 0.00 -1.26 -2.17 121.76 115.80 2ksh s ALA 62 Ca -0.05 0.57 0.03 0.00 0.00 0.00 0.00 51.96 52.51 2ksh s ALA 62 Cb 0.13 0.74 0.01 0.00 0.00 0.00 0.00 23.12 24.00 2ksh s ALA 62 CO 0.43 -0.78 -0.19 0.99 0.00 0.00 0.00 175.76 176.21 2ksh s THR 63 N -3.56 1.71 -0.25 0.00 2.01 0.01 -1.71 115.64 113.86 2ksh s THR 63 Ca 0.03 -0.80 -0.01 0.00 0.31 0.00 0.00 61.69 61.22 2ksh s THR 63 Cb -0.01 -1.52 0.03 0.00 0.01 0.00 0.00 72.50 71.01 2ksh s THR 63 CO -0.10 0.48 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.48 2ksh s LEU 64 N 0.64 3.18 -0.17 4.42 1.43 0.94 -0.21 118.68 128.92 2ksh s LEU 64 Ca -0.13 -0.94 -0.03 0.00 -1.03 0.00 0.00 54.13 52.00 2ksh s LEU 64 Cb -0.16 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 2ksh s LEU 64 CO 0.04 -0.13 -0.06 -0.89 0.23 0.00 0.00 176.35 175.53 2ksh s THR 65 N 1.29 3.56 -0.04 5.49 2.01 -1.00 -0.05 115.64 126.90 2ksh s THR 65 Ca -0.01 -0.46 -0.23 0.00 0.31 0.00 0.00 61.69 61.30 2ksh s THR 65 Cb -0.17 -2.56 0.05 0.00 0.01 0.00 0.00 72.50 69.83 2ksh s THR 65 CO -0.05 0.48 0.50 -0.04 -0.69 0.00 0.00 174.62 174.82 2ksh s MET 66 N 0.67 0.85 0.96 4.92 -1.94 -0.82 -3.12 119.30 120.82 2ksh s MET 66 Ca -0.03 0.09 -0.11 0.00 -1.71 0.00 0.00 55.69 53.93 2ksh s MET 66 Cb -0.15 0.39 0.17 0.00 2.01 0.00 0.00 34.83 37.26 2ksh s MET 66 CO 0.02 -0.25 1.10 -1.21 -0.01 0.00 0.00 175.02 174.68 2ksh s GLU 67 N -1.15 0.69 0.11 2.03 2.02 -1.26 -2.77 118.70 118.37 2ksh s GLU 67 Ca -0.11 1.18 -0.16 0.00 0.02 0.00 0.00 54.97 55.89 2ksh s GLU 67 Cb -0.03 -1.72 -0.04 0.00 0.10 0.00 0.00 34.13 32.45 2ksh s GLU 67 CO 0.07 -2.74 1.59 0.22 0.02 0.00 0.00 175.26 174.42 2ksh h ASP 68 N -1.93 0.56 0.55 -0.19 3.58 -1.50 0.32 116.42 117.81 2ksh h ASP 68 Ca -0.49 -0.27 -0.10 0.00 0.42 0.00 0.00 57.03 56.59 2ksh h ASP 68 Cb 1.28 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 42.17 2ksh h ASP 68 CO 0.47 0.68 -0.48 -2.24 -2.88 0.00 0.00 179.24 174.80 2ksh h ASP 69 N 0.41 0.00 0.02 2.28 3.04 -1.92 -2.72 116.42 117.53 2ksh h ASP 69 Ca 0.10 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.89 2ksh h ASP 69 Cb 0.37 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.66 2ksh h ASP 69 CO 0.01 0.48 -0.01 0.40 -2.04 0.00 0.00 179.24 178.08 2ksh h ILE 70 N 0.00 1.36 -0.79 4.15 1.08 -1.86 -3.27 117.51 118.18 2ksh h ILE 70 Ca -0.00 -1.90 0.17 0.00 -0.39 0.00 0.00 64.86 62.74 2ksh h ILE 70 Cb 0.88 2.52 -0.05 0.00 -3.07 0.00 0.00 36.82 37.10 2ksh h ILE 70 CO 0.06 0.44 0.53 -0.03 -0.69 0.00 0.00 178.15 178.47 2ksh h MET 71 N -0.94 0.36 -0.74 2.37 4.05 -0.40 0.54 114.93 120.16 2ksh h MET 71 Ca -0.00 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.37 2ksh h MET 71 Cb 0.74 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.42 2ksh h MET 71 CO 0.00 0.24 0.35 0.35 0.23 0.00 0.00 176.91 178.09 2ksh h PHE 72 N 0.38 1.06 0.18 1.39 3.57 -1.56 0.14 116.94 122.09 2ksh h PHE 72 Ca 0.40 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 2ksh h PHE 72 Cb 0.99 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.40 2ksh h PHE 72 CO -0.00 0.77 -0.09 0.00 -2.23 0.00 0.00 178.31 176.76 2ksh h ALA 73 N 1.33 -0.24 0.00 2.41 0.00 -0.94 0.32 119.26 122.14 2ksh h ALA 73 Ca 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2ksh h ALA 73 Cb 0.11 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2ksh h ALA 73 CO -0.03 -0.54 0.00 0.82 0.00 0.00 0.00 179.25 179.50 2ksh h ILE 74 N -0.44 0.00 0.04 0.00 5.03 -1.36 0.57 117.51 121.35 2ksh h ILE 74 Ca -0.02 -0.29 -0.33 0.00 -0.12 0.00 0.00 64.86 64.09 2ksh h ILE 74 Cb 0.34 1.10 -0.04 0.00 -3.03 0.00 0.00 36.82 35.19 2ksh h ILE 74 CO 0.04 0.00 -1.88 0.61 -0.68 0.00 0.00 178.15 176.24 2ksh n GLY 75 N -0.10 -0.82 1.70 5.37 0.00 0.03 -4.09 105.19 107.28 2ksh n GLY 75 Ca 0.01 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 2ksh n GLY 75 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ksh n THR 76 N -3.18 2.30 -1.47 2.61 -2.24 0.11 -4.86 114.28 107.54 2ksh n THR 76 Ca -0.24 -1.19 -0.17 0.00 -2.27 0.00 0.00 64.05 60.18 2ksh n THR 76 Cb 1.06 -0.51 -0.07 0.00 -2.10 0.00 0.00 70.33 68.70 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 -0.20 1.58 0.00 3.38 0.00 -1.14 -4.88 105.19 103.93 2ksh n GLY 77 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 1.20 -0.20 -2.50 4.61 0.00 0.20 -4.88 120.51 118.93 2ksh n ALA 78 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.96 2ksh n ALA 78 Cb 0.62 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.95 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 -3.78 2.78 0.22 0.00 0.20 -0.95 -4.97 118.68 112.19 2ksh s LEU 79 Ca 0.00 -0.29 -0.30 0.00 0.69 0.00 0.00 54.13 54.23 2ksh s LEU 79 Cb 0.00 -1.61 -0.09 0.00 -0.43 0.00 0.00 46.19 44.06 2ksh s LEU 79 CO 0.00 0.29 1.29 -2.16 -0.29 0.00 0.00 176.35 175.47 2ksh s PRO 80 N -1.24 4.41 0.58 0.98 0.04 -1.26 -3.56 135.00 134.95 2ksh s PRO 80 Ca 0.14 2.05 0.28 0.00 0.04 0.00 0.00 61.00 63.51 2ksh s PRO 80 Cb -0.11 -3.18 1.73 0.00 0.04 0.00 0.00 34.50 32.99 2ksh s PRO 80 CO 0.05 -0.20 2.24 0.00 0.04 0.00 0.00 177.00 179.12 2ksh h ALA 81 N 4.94 1.60 0.40 8.56 0.00 -1.96 -2.43 119.26 130.37 2ksh h ALA 81 Ca -0.45 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2ksh h ALA 81 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2ksh h ALA 81 CO 0.74 0.00 -0.19 -0.22 0.00 0.00 0.00 179.25 179.59 2ksh h LYS 82 N 0.00 -0.52 -0.28 0.00 3.64 -2.00 -2.90 116.57 114.51 2ksh h LYS 82 Ca -0.00 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 2ksh h LYS 82 Cb 0.01 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 31.89 2ksh h LYS 82 CO 0.00 -0.22 -0.10 1.49 -2.27 0.00 0.00 179.45 178.35 2ksh h GLU 83 N -0.99 -0.05 -1.00 1.90 4.57 -1.90 -0.66 114.58 116.46 2ksh h GLU 83 Ca -0.05 0.00 0.23 0.00 -1.18 0.00 0.00 59.36 58.36 2ksh h GLU 83 Cb 0.54 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 29.05 2ksh h GLU 83 CO 0.09 -0.03 0.64 0.00 -1.18 0.00 0.00 179.01 178.53 2ksh h ALA 84 N 1.21 2.07 0.00 2.92 0.00 -1.52 0.51 119.26 124.44 2ksh h ALA 84 Ca 0.14 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 2ksh h ALA 84 Cb 0.26 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2ksh h ALA 84 CO -0.32 -0.44 -0.58 1.98 0.00 0.00 0.00 179.25 179.89 2ksh h MET 85 N 0.50 0.00 -0.18 0.00 4.05 -0.94 0.24 114.93 118.60 2ksh h MET 85 Ca 0.57 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.81 2ksh h MET 85 Cb 1.27 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.07 2ksh h MET 85 CO -0.30 0.58 -0.60 0.00 0.23 0.00 0.00 176.91 176.82 2ksh h ALA 86 N 1.42 0.61 -0.30 0.39 0.00 0.91 -2.94 119.26 119.35 2ksh h ALA 86 Ca -0.01 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 2ksh h ALA 86 Cb 1.17 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2ksh h ALA 86 CO 0.08 0.70 0.04 0.00 0.00 0.00 0.00 179.25 180.06 2ksh n GLN 87 N -3.94 2.74 -3.91 0.00 10.64 -0.52 -4.88 117.38 117.49 2ksh n GLN 87 Ca -0.04 -1.51 -0.26 0.00 -1.83 0.00 0.00 57.00 53.36 2ksh n GLN 87 Cb 0.64 -1.84 -0.00 0.00 -0.86 0.00 0.00 30.24 28.18 2ksh n GLN 87 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2ksh n ASP 88 N 0.23 -1.24 -0.53 2.61 9.92 -1.11 -4.86 116.55 121.57 2ksh n ASP 88 Ca 0.15 -0.94 0.05 0.00 -0.53 0.00 0.00 54.79 53.53 2ksh n ASP 88 Cb 0.75 -3.36 0.10 0.00 -0.64 0.00 0.00 41.12 37.97 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 -4.39 1.67 -3.54 -1.24 5.02 0.84 -5.00 118.16 111.51 2ksh n LYS 89 Ca -0.24 -1.58 -0.17 0.00 -2.02 0.00 0.00 58.31 54.30 2ksh n LYS 89 Cb 0.65 -1.24 -0.06 0.00 -0.02 0.00 0.00 35.03 34.36 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 -0.95 0.99 0.13 1.97 0.23 -1.21 -4.81 119.30 115.65 2ksh s MET 90 Ca 0.18 0.38 0.10 0.00 -1.03 0.00 0.00 55.69 55.31 2ksh s MET 90 Cb 0.10 0.47 -0.04 0.00 -1.53 0.00 0.00 34.83 33.83 2ksh s MET 90 CO 0.14 -0.28 -0.23 -1.21 -2.03 0.00 0.00 175.02 171.41 2ksh s GLU 91 N -0.91 1.30 -0.04 3.16 2.02 -1.18 -4.69 118.70 118.36 2ksh s GLU 91 Ca -0.08 -1.31 -0.03 0.00 0.02 0.00 0.00 54.97 53.57 2ksh s GLU 91 Cb -0.01 -1.63 0.02 0.00 0.10 0.00 0.00 34.13 32.61 2ksh s GLU 91 CO 0.08 0.37 0.09 0.08 0.02 0.00 0.00 175.26 175.90 2ksh s VAL 92 N -1.31 -0.01 0.36 2.63 1.01 -1.26 -2.36 120.40 119.45 2ksh s VAL 92 Ca 0.12 0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.24 2ksh s VAL 92 Cb -0.09 -0.14 -0.07 0.00 0.00 0.00 0.00 36.38 36.08 2ksh s VAL 92 CO 0.06 0.02 -0.06 -1.81 0.00 0.00 0.00 175.10 173.31 2ksh s ASP 93 N 0.34 3.62 0.43 3.32 1.11 0.71 -4.94 116.67 121.26 2ksh s ASP 93 Ca -0.02 -1.25 0.00 0.00 0.18 0.00 0.00 52.55 51.45 2ksh s ASP 93 Cb -0.04 -0.33 0.00 0.00 1.07 0.00 0.00 42.92 43.62 2ksh s ASP 93 CO -0.01 -0.30 0.00 0.61 1.18 0.00 0.00 175.17 176.65 2ksh n GLY 94 N -0.82 1.06 3.31 0.21 0.00 -1.26 -0.81 105.19 106.88 2ksh n GLY 94 Ca -0.05 -0.98 -0.44 0.00 0.00 0.00 0.00 46.02 44.56 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 2.83 0.59 1.61 1.11 -0.92 -4.92 119.66 119.97 2ksh s GLN 95 Ca 0.00 -1.55 0.39 0.00 0.01 0.00 0.00 55.36 54.22 2ksh s GLN 95 Cb 0.00 -4.08 2.03 0.00 -1.01 0.00 0.00 33.01 29.94 2ksh s GLN 95 CO 0.00 -1.13 2.19 0.28 0.01 0.00 0.00 175.29 176.64 2ksh h VAL 96 N 5.92 0.00 -0.03 1.09 2.07 -1.92 -1.45 116.25 121.92 2ksh h VAL 96 Ca -0.27 -0.12 -0.16 0.00 0.82 0.00 0.00 66.70 66.98 2ksh h VAL 96 Cb 1.10 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2ksh h VAL 96 CO 0.90 0.00 -0.69 -0.08 0.02 0.00 0.00 177.57 177.72 2ksh h GLU 97 N 0.00 0.17 0.07 1.57 4.81 -1.99 -2.81 114.58 116.40 2ksh h GLU 97 Ca 0.00 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2ksh h GLU 97 Cb 0.12 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2ksh h GLU 97 CO 0.00 0.79 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.97 2ksh h LEU 98 N 0.12 -0.08 -2.06 1.64 -0.00 -1.68 -3.19 115.31 110.06 2ksh h LEU 98 Ca -0.02 -0.41 0.08 0.00 -0.00 0.00 0.00 57.88 57.54 2ksh h LEU 98 Cb 1.23 0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.90 2ksh h LEU 98 CO 0.10 0.59 0.36 0.16 -0.00 0.00 0.00 178.44 179.65 2ksh h ILE 99 N -0.96 0.35 -0.14 1.22 -0.00 -1.61 0.14 117.51 116.50 2ksh h ILE 99 Ca -0.01 0.00 -0.18 0.00 -0.00 0.00 0.00 64.86 64.67 2ksh h ILE 99 Cb 0.48 0.70 -0.00 0.00 -0.00 0.00 0.00 36.82 38.01 2ksh h ILE 99 CO 0.02 0.00 -0.68 -0.26 -0.00 0.00 0.00 178.15 177.23 2ksh h PHE 100 N 0.00 0.73 0.00 0.16 0.04 -1.55 -2.84 116.94 113.48 2ksh h PHE 100 Ca 0.14 -0.30 0.00 0.00 2.80 0.00 0.00 57.97 60.61 2ksh h PHE 100 Cb 0.86 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.88 2ksh h PHE 100 CO 0.00 1.06 0.00 1.28 -0.60 0.00 0.00 178.31 180.05 2ksh n LEU 101 N -3.90 0.00 0.07 1.54 7.99 0.47 -2.65 117.00 120.53 2ksh n LEU 101 Ca -0.05 0.38 -0.22 0.00 -0.01 0.00 0.00 56.01 56.12 2ksh n LEU 101 Cb 0.68 -0.38 -0.15 0.00 -0.11 0.00 0.00 43.42 43.46 2ksh n LEU 101 CO 0.49 -0.17 -0.49 -0.07 -1.51 0.00 0.00 177.39 175.63 2ksh h LEU 102 N 0.00 0.58 -0.47 2.23 3.38 -1.41 -3.29 115.31 116.33 2ksh h LEU 102 Ca 0.00 -0.85 0.07 0.00 0.09 0.00 0.00 57.88 57.18 2ksh h LEU 102 Cb 0.21 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.68 2ksh h LEU 102 CO 0.00 1.72 -0.50 -0.33 0.09 0.00 0.00 178.44 179.42 2ksh h GLU 103 N 0.10 -0.32 0.00 1.13 4.39 -1.55 0.51 114.58 118.85 2ksh h GLU 103 Ca -0.32 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.40 2ksh h GLU 103 Cb 2.09 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.81 2ksh h GLU 103 CO 0.18 -0.21 0.00 -0.35 -1.16 0.00 0.00 179.01 177.47 2ksh n PRO 104 N -5.39 0.13 0.09 2.33 -0.04 -1.26 -2.11 135.00 128.75 2ksh n PRO 104 Ca -0.01 0.19 0.12 0.00 -0.04 0.00 0.00 63.50 63.76 2ksh n PRO 104 Cb 0.34 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.54 2ksh n PRO 104 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2ksh h PHE 105 N 0.00 0.00 0.00 0.54 3.57 -0.06 -3.30 116.94 117.69 2ksh h PHE 105 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2ksh h PHE 105 Cb 0.18 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 2ksh h PHE 105 CO 0.00 0.00 -0.14 0.82 -2.23 0.00 0.00 178.31 176.76 2ksh h ILE 106 N 0.00 1.06 -0.59 1.41 2.04 -1.00 -2.17 117.51 118.27 2ksh h ILE 106 Ca 0.00 -0.49 0.17 0.00 1.00 0.00 0.00 64.86 65.54 2ksh h ILE 106 Cb 0.77 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 2ksh h ILE 106 CO 0.00 0.14 0.47 0.00 0.00 0.00 0.00 178.15 178.76 2ksh h ALA 107 N 1.86 2.46 0.23 1.87 0.00 -1.78 -2.55 119.26 121.36 2ksh h ALA 107 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ksh h ALA 107 Cb 0.25 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2ksh h ALA 107 CO 0.02 -0.77 -0.36 1.03 0.00 0.00 0.00 179.25 179.17 2ksh h SER 108 N 0.00 -1.03 -1.31 0.00 0.87 -1.65 -3.32 113.55 107.11 2ksh h SER 108 Ca 0.28 0.09 -0.52 0.00 -1.23 0.00 0.00 61.79 60.41 2ksh h SER 108 Cb 1.22 0.36 -0.08 0.00 -0.44 0.00 0.00 62.40 63.45 2ksh h SER 108 CO -0.00 -0.43 1.26 -1.48 -0.53 0.00 0.00 176.83 175.64 2ksh s LEU 109 N -8.45 3.36 0.00 2.23 2.34 -0.96 -5.18 118.68 112.02 2ksh s LEU 109 Ca -0.12 -1.00 0.00 0.00 0.06 0.00 0.00 54.13 53.07 2ksh s LEU 109 Cb 0.03 -2.56 0.00 0.00 -0.56 0.00 0.00 46.19 43.10 2ksh s LEU 109 CO 0.42 -1.88 0.49 1.17 -1.06 0.00 0.00 176.35 175.49