#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 2.98 -0.10 7.83 1.04 -1.26 -5.12 113.70 119.07 2ksh s SER 2 Ca 0.00 -0.59 -0.02 0.00 0.48 0.00 0.00 55.95 55.82 2ksh s SER 2 Cb 0.00 -1.38 -0.03 0.00 0.10 0.00 0.00 66.02 64.71 2ksh s SER 2 CO 0.00 -0.01 -0.02 -0.76 0.98 0.00 0.00 173.24 173.44 2ksh s LEU 3 N 1.28 3.46 0.40 2.42 1.43 -1.26 -5.00 118.68 121.41 2ksh s LEU 3 Ca 0.03 0.06 0.08 0.00 -1.03 0.00 0.00 54.13 53.27 2ksh s LEU 3 Cb -0.13 -1.80 0.84 0.00 0.03 0.00 0.00 46.19 45.13 2ksh s LEU 3 CO -0.11 0.33 2.02 0.50 0.23 0.00 0.00 176.35 179.31 2ksh h LYS 4 N 5.54 0.45 0.00 1.70 1.63 -2.00 -1.06 116.57 122.84 2ksh h LYS 4 Ca -0.46 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.29 2ksh h LYS 4 Cb 1.19 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 2ksh h LYS 4 CO 0.56 0.36 0.01 0.66 -3.45 0.00 0.00 179.45 177.60 2ksh h SER 5 N 0.46 0.00 -0.87 4.20 4.64 -1.95 -2.09 113.55 117.93 2ksh h SER 5 Ca 0.12 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.58 2ksh h SER 5 Cb 0.07 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.09 2ksh h SER 5 CO -0.01 0.00 0.57 0.44 -0.87 0.00 0.00 176.83 176.95 2ksh h ASP 6 N 0.00 0.62 -0.00 4.97 5.19 -1.58 -1.80 116.42 123.82 2ksh h ASP 6 Ca 0.00 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.45 2ksh h ASP 6 Cb 0.02 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.45 2ksh h ASP 6 CO 0.00 0.31 0.00 -0.08 -3.12 0.00 0.00 179.24 176.35 2ksh h GLU 7 N 0.65 0.01 -0.45 3.56 4.81 -1.58 -2.68 114.58 118.90 2ksh h GLU 7 Ca 0.44 -0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.76 2ksh h GLU 7 Cb 0.74 -0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.02 2ksh h GLU 7 CO -0.19 0.28 -0.27 0.28 -0.73 0.00 0.00 179.01 178.37 2ksh h VAL 8 N -0.27 0.28 -0.29 0.32 2.07 -1.49 0.30 116.25 117.17 2ksh h VAL 8 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2ksh h VAL 8 Cb 0.28 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2ksh h VAL 8 CO 0.00 0.00 0.20 -0.26 0.02 0.00 0.00 177.57 177.53 2ksh h PHE 9 N -0.18 0.21 -0.24 1.57 0.04 -1.48 0.18 116.94 117.05 2ksh h PHE 9 Ca 0.20 0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.87 2ksh h PHE 9 Cb 0.51 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.58 2ksh h PHE 9 CO -0.52 0.12 -0.27 0.00 -0.60 0.00 0.00 178.31 177.04 2ksh h ALA 10 N 1.84 0.35 -0.02 2.45 0.00 -0.15 -1.32 119.26 122.40 2ksh h ALA 10 Ca 0.13 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2ksh h ALA 10 Cb 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2ksh h ALA 10 CO -0.02 0.34 -0.05 0.87 0.00 0.00 0.00 179.25 180.39 2ksh h LYS 11 N 0.30 0.07 -0.55 0.00 1.79 -0.22 -2.66 116.57 115.30 2ksh h LYS 11 Ca 0.03 -0.05 0.02 0.00 -2.18 0.00 0.00 60.65 58.48 2ksh h LYS 11 Cb 0.84 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.46 2ksh h LYS 11 CO 0.07 0.64 0.37 0.82 -1.08 0.00 0.00 179.45 180.27 2ksh h ILE 12 N -0.50 1.11 -0.35 1.86 2.04 -0.76 -1.68 117.51 119.23 2ksh h ILE 12 Ca -0.00 -0.24 -0.12 0.00 1.00 0.00 0.00 64.86 65.50 2ksh h ILE 12 Cb 0.64 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2ksh h ILE 12 CO 0.01 0.13 -0.26 0.00 0.00 0.00 0.00 178.15 178.02 2ksh h ALA 13 N 1.67 0.88 -0.14 1.87 0.00 -1.24 -1.95 119.26 120.35 2ksh h ALA 13 Ca 0.21 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2ksh h ALA 13 Cb -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2ksh h ALA 13 CO -0.05 0.63 -0.41 -0.22 0.00 0.00 0.00 179.25 179.20 2ksh h LYS 14 N 0.62 0.31 -0.05 0.00 3.64 -0.96 -2.97 116.57 117.16 2ksh h LYS 14 Ca 0.08 -0.15 -0.19 0.00 -1.27 0.00 0.00 60.65 59.12 2ksh h LYS 14 Cb 0.77 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 2ksh h LYS 14 CO 0.06 0.67 -0.78 -0.09 -2.27 0.00 0.00 179.45 177.04 2ksh h ARG 15 N 0.26 0.33 0.00 1.90 9.65 -1.17 -2.98 114.38 122.37 2ksh h ARG 15 Ca 0.02 -0.29 0.00 0.00 -1.10 0.00 0.00 59.98 58.61 2ksh h ARG 15 Cb 0.83 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.48 2ksh h ARG 15 CO 0.07 0.95 0.00 -0.07 2.80 0.00 0.00 179.97 183.72 2ksh h LEU 16 N 0.21 0.00 0.00 3.80 3.38 -1.19 -0.60 115.31 120.91 2ksh h LEU 16 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2ksh h LEU 16 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 2ksh h LEU 16 CO 0.13 0.00 -0.03 -0.62 0.09 0.00 0.00 178.44 178.01 2ksh n GLU 17 N -2.51 0.27 0.02 1.13 1.02 -1.13 -3.08 120.64 116.37 2ksh n GLU 17 Ca -0.00 0.21 0.12 0.00 -0.02 0.00 0.00 57.16 57.47 2ksh n GLU 17 Cb 0.13 -1.81 0.14 0.00 -0.02 0.00 0.00 31.44 29.88 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 -2.27 0.61 -4.68 1.62 2.88 -0.24 -4.94 113.62 106.60 2ksh n SER 18 Ca 0.05 -0.22 -0.41 0.00 -1.33 0.00 0.00 58.87 56.97 2ksh n SER 18 Cb 0.43 0.45 0.02 0.00 -0.75 0.00 0.00 64.21 64.36 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 -1.77 2.69 -4.24 2.46 5.41 -1.18 -5.01 119.36 117.73 2ksh n ILE 19 Ca 0.04 -0.50 -0.27 0.00 1.00 0.00 0.00 62.75 63.02 2ksh n ILE 19 Cb 0.39 -1.48 -0.08 0.00 -0.71 0.00 0.00 39.64 37.75 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 -0.63 4.53 0.17 4.38 1.11 -1.26 -5.04 116.67 119.92 2ksh s ASP 20 Ca 0.63 -0.48 -0.08 0.00 0.18 0.00 0.00 52.55 52.81 2ksh s ASP 20 Cb -0.51 -0.88 0.04 0.00 1.07 0.00 0.00 42.92 42.65 2ksh s ASP 20 CO 0.57 0.10 1.51 1.55 1.18 0.00 0.00 175.17 180.08 2ksh h PRO 21 N 2.83 0.81 0.43 8.23 0.13 -2.01 -3.28 132.00 139.14 2ksh h PRO 21 Ca -0.47 -0.43 -0.02 0.00 -0.87 0.00 0.00 66.00 64.22 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 0.56 1.06 -0.26 0.00 -0.23 0.00 0.00 178.00 179.14 2ksh h ALA 22 N 0.88 -0.65 -2.33 -0.56 0.00 -2.03 -3.39 119.26 111.17 2ksh h ALA 22 Ca 0.05 -0.13 -0.63 0.00 0.00 0.00 0.00 54.91 54.20 2ksh h ALA 22 Cb 0.97 0.31 -0.13 0.00 0.00 0.00 0.00 17.79 18.94 2ksh h ALA 22 CO 0.09 -0.88 0.13 1.21 0.00 0.00 0.00 179.25 179.81 2ksh s ASN 23 N -4.63 6.42 0.00 0.00 3.84 -1.24 -4.93 114.94 114.41 2ksh s ASN 23 Ca -0.16 0.16 0.00 0.00 0.21 0.00 0.00 52.86 53.06 2ksh s ASN 23 Cb 0.05 -2.32 0.00 0.00 -0.55 0.00 0.00 41.25 38.42 2ksh s ASN 23 CO 0.63 -0.58 0.00 0.54 -2.79 0.00 0.00 177.10 174.90 2ksh n ARG 24 N 6.01 0.00 -0.15 0.43 1.74 -1.26 -4.34 116.66 119.09 2ksh n ARG 24 Ca -0.01 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.99 2ksh n ARG 24 Cb 0.49 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.93 2ksh n ARG 24 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2ksh h GLN 25 N 0.00 0.62 -1.58 5.56 7.50 -1.97 -3.46 115.11 121.78 2ksh h GLN 25 Ca 0.00 -0.05 0.07 0.00 0.50 0.00 0.00 58.65 59.16 2ksh h GLN 25 Cb 0.00 -0.13 -0.25 0.00 0.05 0.00 0.00 27.48 27.15 2ksh h GLN 25 CO 0.00 0.45 0.49 0.54 -1.50 0.00 0.00 178.83 178.81 2ksh s VAL 26 N -6.01 0.00 -0.30 -0.54 0.11 -1.26 -5.16 120.40 107.24 2ksh s VAL 26 Ca -0.13 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.81 2ksh s VAL 26 Cb 0.11 -1.00 0.13 0.00 -1.53 0.00 0.00 36.38 34.09 2ksh s VAL 26 CO 0.74 0.00 0.68 -1.83 -3.33 0.00 0.00 175.10 171.36 2ksh s GLU 27 N -0.36 0.57 0.27 1.54 4.04 -1.26 -5.09 118.70 118.41 2ksh s GLU 27 Ca 0.01 1.39 0.02 0.00 0.04 0.00 0.00 54.97 56.43 2ksh s GLU 27 Cb -0.03 0.80 -0.05 0.00 0.02 0.00 0.00 34.13 34.87 2ksh s GLU 27 CO -0.03 -0.19 0.12 -1.01 -1.84 0.00 0.00 175.26 172.31 2ksh s HIS 28 N 2.78 1.53 0.21 4.83 3.76 -1.26 -5.05 115.29 122.09 2ksh s HIS 28 Ca -0.06 -1.26 -0.30 0.00 -0.15 0.00 0.00 55.06 53.29 2ksh s HIS 28 Cb -0.11 -0.86 -0.09 0.00 1.11 0.00 0.00 32.58 32.63 2ksh s HIS 28 CO -0.19 -0.42 1.33 0.08 -0.85 0.00 0.00 174.74 174.69 2ksh s VAL 29 N -3.74 3.08 0.30 -0.90 1.01 -1.26 -4.84 120.40 114.06 2ksh s VAL 29 Ca 0.37 0.90 0.10 0.00 0.00 0.00 0.00 61.98 63.35 2ksh s VAL 29 Cb 0.07 -3.58 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 2ksh s VAL 29 CO 0.15 0.14 -0.13 -0.31 0.00 0.00 0.00 175.10 174.95 2ksh s TYR 30 N 0.02 2.23 -0.10 5.22 1.51 -1.24 -2.21 117.35 122.77 2ksh s TYR 30 Ca 0.57 -0.49 0.03 0.00 -1.01 0.00 0.00 57.07 56.17 2ksh s TYR 30 Cb -0.38 -1.16 0.01 0.00 -0.11 0.00 0.00 41.96 40.32 2ksh s TYR 30 CO 0.40 0.56 -0.19 0.15 -1.11 0.00 0.00 175.55 175.35 2ksh s LYS 31 N -3.60 2.59 -0.27 -0.62 1.02 -1.04 -1.79 119.74 116.04 2ksh s LYS 31 Ca 0.30 -0.71 0.01 0.00 0.02 0.00 0.00 55.97 55.59 2ksh s LYS 31 Cb 0.00 -2.05 0.07 0.00 -0.52 0.00 0.00 37.83 35.33 2ksh s LYS 31 CO 0.14 0.06 -0.02 -0.06 -0.92 0.00 0.00 175.35 174.56 2ksh s PHE 32 N 0.63 2.62 -0.19 3.18 0.40 -0.56 -0.12 117.98 123.94 2ksh s PHE 32 Ca -0.13 -2.02 -0.07 0.00 -0.60 0.00 0.00 56.93 54.11 2ksh s PHE 32 Cb -0.16 -1.87 -0.04 0.00 0.51 0.00 0.00 43.02 41.46 2ksh s PHE 32 CO 0.04 -0.83 0.05 -0.98 0.70 0.00 0.00 175.22 174.20 2ksh s ARG 33 N 1.31 3.85 -0.20 0.44 1.70 -1.01 -0.07 118.95 124.96 2ksh s ARG 33 Ca -0.01 -0.41 -0.07 0.00 -0.47 0.00 0.00 55.73 54.77 2ksh s ARG 33 Cb -0.19 -3.19 -0.03 0.00 -0.57 0.00 0.00 34.95 30.97 2ksh s ARG 33 CO -0.09 0.16 0.05 0.42 -1.08 0.00 0.00 175.30 174.76 2ksh s ILE 34 N 0.67 4.50 -0.05 4.99 1.01 -0.37 -2.08 121.20 129.86 2ksh s ILE 34 Ca 0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.51 2ksh s ILE 34 Cb -0.13 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 2ksh s ILE 34 CO 0.02 0.42 0.13 0.42 0.00 0.00 0.00 174.94 175.92 2ksh s THR 35 N 0.84 5.18 -0.43 2.92 -4.23 -1.24 -1.63 115.64 117.06 2ksh s THR 35 Ca 0.03 -0.10 -0.17 0.00 -1.18 0.00 0.00 61.69 60.27 2ksh s THR 35 Cb -0.14 -3.33 0.02 0.00 1.34 0.00 0.00 72.50 70.40 2ksh s THR 35 CO 0.02 0.46 0.43 -1.58 -0.54 0.00 0.00 174.62 173.41 2ksh s GLN 36 N -1.48 3.08 0.00 3.99 0.74 0.22 -3.14 119.66 123.07 2ksh s GLN 36 Ca 0.21 -0.81 0.00 0.00 0.05 0.00 0.00 55.36 54.81 2ksh s GLN 36 Cb -0.12 -3.98 0.00 0.00 1.10 0.00 0.00 33.01 30.01 2ksh s GLN 36 CO 0.11 -0.87 0.00 0.41 -0.55 0.00 0.00 175.29 174.39 2ksh n GLY 37 N 5.12 1.22 0.00 2.59 0.00 -1.26 -2.90 105.19 109.97 2ksh n GLY 37 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 2.99 -0.02 0.00 -1.26 -5.13 105.19 101.77 2ksh n GLY 38 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 0.60 0.16 1.61 2.20 -1.14 -5.05 119.74 118.12 2ksh s LYS 39 Ca 0.00 -0.26 -0.34 0.00 -0.36 0.00 0.00 55.97 55.01 2ksh s LYS 39 Cb 0.00 -0.58 -0.15 0.00 -1.51 0.00 0.00 37.83 35.59 2ksh s LYS 39 CO 0.00 0.15 1.34 0.28 -0.36 0.00 0.00 175.35 176.77 2ksh n VAL 40 N 2.92 0.51 0.00 4.02 0.31 -1.26 0.70 118.33 125.53 2ksh n VAL 40 Ca -0.13 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 2ksh n VAL 40 Cb 0.57 -1.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.38 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 2.21 0.00 -3.59 2.52 3.14 -0.65 -4.72 118.33 117.25 2ksh n VAL 41 Ca 0.15 -0.08 -0.06 0.00 -2.96 0.00 0.00 64.34 61.39 2ksh n VAL 41 Cb 0.26 0.55 -0.04 0.00 -1.06 0.00 0.00 33.84 33.55 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 -1.68 0.40 -0.06 1.45 2.20 -1.10 -5.03 119.74 115.91 2ksh s LYS 42 Ca 0.00 -0.02 0.02 0.00 -0.36 0.00 0.00 55.97 55.61 2ksh s LYS 42 Cb 0.00 0.19 0.02 0.00 -1.51 0.00 0.00 37.83 36.52 2ksh s LYS 42 CO 0.00 -0.15 -0.11 0.54 -0.36 0.00 0.00 175.35 175.28 2ksh s ASN 43 N -1.58 1.66 0.09 1.43 2.20 -1.26 -1.23 114.94 116.24 2ksh s ASN 43 Ca 0.05 -0.27 0.04 0.00 -0.94 0.00 0.00 52.86 51.74 2ksh s ASN 43 Cb -0.01 -0.76 -0.04 0.00 -2.00 0.00 0.00 41.25 38.44 2ksh s ASN 43 CO -0.04 0.01 0.04 0.26 -2.94 0.00 0.00 177.10 174.43 2ksh s TRP 44 N 0.77 3.09 -0.01 1.54 0.52 0.91 -3.42 118.94 122.34 2ksh s TRP 44 Ca -0.13 0.02 0.08 0.00 0.02 0.00 0.00 56.10 56.09 2ksh s TRP 44 Cb -0.15 -1.57 -0.02 0.00 -1.15 0.00 0.00 33.47 30.57 2ksh s TRP 44 CO 0.02 0.50 -0.24 0.54 0.02 0.00 0.00 176.95 177.80 2ksh s VAL 45 N -1.37 2.25 -0.37 4.03 0.11 -0.92 -1.50 120.40 122.64 2ksh s VAL 45 Ca 0.28 -1.12 -0.13 0.00 -2.93 0.00 0.00 61.98 58.08 2ksh s VAL 45 Cb -0.12 -1.83 0.01 0.00 -1.53 0.00 0.00 36.38 32.92 2ksh s VAL 45 CO 0.20 0.52 0.24 -0.32 -3.33 0.00 0.00 175.10 172.41 2ksh s MET 46 N -0.81 3.06 -0.28 1.54 1.75 -0.74 -2.76 119.30 121.06 2ksh s MET 46 Ca 0.11 -0.93 -0.25 0.00 -1.25 0.00 0.00 55.69 53.36 2ksh s MET 46 Cb -0.10 -3.81 0.00 0.00 2.84 0.00 0.00 34.83 33.76 2ksh s MET 46 CO 0.00 -0.64 0.87 0.34 -0.65 0.00 0.00 175.02 174.94 2ksh s ASP 47 N 1.64 6.80 0.04 1.11 -1.08 -0.99 -3.70 116.67 120.48 2ksh s ASP 47 Ca 0.04 0.91 0.23 0.00 -0.52 0.00 0.00 52.55 53.21 2ksh s ASP 47 Cb -0.19 -2.45 -0.03 0.00 -1.46 0.00 0.00 42.92 38.80 2ksh s ASP 47 CO 0.08 -0.62 0.95 -0.11 0.52 0.00 0.00 175.17 175.99 2ksh n LEU 48 N 6.24 0.58 0.07 -1.34 -0.00 -1.26 -1.87 117.00 119.42 2ksh n LEU 48 Ca 0.06 -0.04 -0.21 0.00 -0.00 0.00 0.00 56.01 55.82 2ksh n LEU 48 Cb 0.48 -0.07 -0.14 0.00 -0.00 0.00 0.00 43.42 43.69 2ksh n LEU 48 CO 0.51 0.04 -0.00 0.50 -0.00 0.00 0.00 177.39 178.44 2ksh h LYS 49 N 0.00 0.48 0.00 1.96 3.64 -1.96 -3.34 116.57 117.35 2ksh h LYS 49 Ca 0.00 -0.69 0.00 0.00 -1.27 0.00 0.00 60.65 58.69 2ksh h LYS 49 Cb 0.76 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 2ksh h LYS 49 CO 0.00 1.30 -1.08 0.09 -2.27 0.00 0.00 179.45 177.49 2ksh n ASN 50 N -3.96 0.84 -2.64 4.20 3.02 -1.26 -5.00 115.26 110.46 2ksh n ASN 50 Ca -0.14 -0.67 -0.14 0.00 -0.03 0.00 0.00 54.58 53.60 2ksh n ASN 50 Cb 0.90 1.21 0.06 0.00 -0.61 0.00 0.00 39.78 41.34 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 -1.59 -3.14 -3.80 2.41 0.31 -0.78 -5.04 118.33 106.70 2ksh n VAL 51 Ca 0.02 -0.18 -0.13 0.00 -0.01 0.00 0.00 64.34 64.04 2ksh n VAL 51 Cb 0.32 -3.74 -0.12 0.00 -0.91 0.00 0.00 33.84 29.39 2ksh n VAL 51 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2ksh s LYS 52 N -5.38 0.24 -0.08 5.55 -2.85 -1.00 -4.72 119.74 111.50 2ksh s LYS 52 Ca 0.19 0.30 -0.11 0.00 -1.00 0.00 0.00 55.97 55.35 2ksh s LYS 52 Cb -0.08 0.10 -0.05 0.00 -2.06 0.00 0.00 37.83 35.74 2ksh s LYS 52 CO 0.50 -0.04 0.26 -0.51 0.10 0.00 0.00 175.35 175.66 2ksh s LEU 53 N 0.18 4.40 0.16 2.77 1.02 -1.26 -2.35 118.68 123.59 2ksh s LEU 53 Ca -0.01 0.65 -0.08 0.00 0.02 0.00 0.00 54.13 54.71 2ksh s LEU 53 Cb -0.02 -2.30 -0.01 0.00 0.02 0.00 0.00 46.19 43.88 2ksh s LEU 53 CO -0.00 0.33 0.26 0.68 0.02 0.00 0.00 176.35 177.64 2ksh s VAL 54 N -0.79 0.07 -0.63 -1.59 -7.23 -1.11 -5.01 120.40 104.10 2ksh s VAL 54 Ca 0.18 -1.45 -0.28 0.00 -1.81 0.00 0.00 61.98 58.62 2ksh s VAL 54 Cb -0.14 -1.88 0.03 0.00 0.56 0.00 0.00 36.38 34.94 2ksh s VAL 54 CO 0.07 -0.30 1.29 -1.83 -0.31 0.00 0.00 175.10 174.02 2ksh s GLU 55 N -3.98 3.33 0.23 4.82 -1.05 -1.26 -2.15 118.70 118.64 2ksh s GLU 55 Ca 0.18 0.14 -0.12 0.00 -0.15 0.00 0.00 54.97 55.02 2ksh s GLU 55 Cb 0.04 -4.10 -0.00 0.00 -0.44 0.00 0.00 34.13 29.62 2ksh s GLU 55 CO 0.01 -1.93 0.44 0.45 0.95 0.00 0.00 175.26 175.18 2ksh s SER 56 N 3.68 -0.08 -0.04 0.83 0.15 -1.22 -4.95 113.70 112.07 2ksh s SER 56 Ca 0.43 -0.90 0.12 0.00 0.70 0.00 0.00 55.95 56.31 2ksh s SER 56 Cb -0.08 0.55 0.37 0.00 -1.71 0.00 0.00 66.02 65.15 2ksh s SER 56 CO 0.22 -1.08 1.31 -0.67 1.20 0.00 0.00 173.24 174.21 2ksh n ASP 57 N -0.35 3.22 -4.51 5.45 -0.08 -1.26 -3.91 116.55 115.11 2ksh n ASP 57 Ca -0.03 -2.25 -0.38 0.00 -1.51 0.00 0.00 54.79 50.62 2ksh n ASP 57 Cb 0.62 -0.32 0.04 0.00 2.34 0.00 0.00 41.12 43.81 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 0.31 -0.58 -4.82 1.67 2.03 -1.26 -4.95 116.55 108.94 2ksh n ASP 58 Ca 0.14 0.75 -0.38 0.00 0.52 0.00 0.00 54.79 55.83 2ksh n ASP 58 Cb 0.55 -1.23 -0.06 0.00 -0.72 0.00 0.00 41.12 39.66 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 -1.67 3.62 0.45 -1.67 0.00 -1.26 -4.92 121.76 116.32 2ksh s ALA 59 Ca 0.71 -0.07 0.04 0.00 0.00 0.00 0.00 51.96 52.64 2ksh s ALA 59 Cb -0.44 -2.54 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 2ksh s ALA 59 CO 0.52 0.43 0.01 0.00 0.00 0.00 0.00 175.76 176.72 2ksh s ALA 60 N -1.15 3.57 0.27 0.00 0.00 -1.26 -4.99 121.76 118.20 2ksh s ALA 60 Ca 0.29 -1.44 0.35 0.00 0.00 0.00 0.00 51.96 51.16 2ksh s ALA 60 Cb -0.18 0.12 1.85 0.00 0.00 0.00 0.00 23.12 24.91 2ksh s ALA 60 CO 0.17 -0.08 2.08 1.05 0.00 0.00 0.00 175.76 178.98 2ksh h GLU 61 N 1.59 0.00 -3.23 0.00 4.11 -1.82 -3.44 114.58 111.79 2ksh h GLU 61 Ca -0.44 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.96 2ksh h GLU 61 Cb 1.27 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.40 2ksh h GLU 61 CO 0.78 0.00 0.05 0.00 0.07 0.00 0.00 179.01 179.91 2ksh s ALA 62 N -3.86 -1.19 -0.11 1.06 0.00 -1.26 -3.15 121.76 113.25 2ksh s ALA 62 Ca -0.03 0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.08 2ksh s ALA 62 Cb 0.10 0.79 0.01 0.00 0.00 0.00 0.00 23.12 24.02 2ksh s ALA 62 CO 0.36 -0.72 -0.17 0.99 0.00 0.00 0.00 175.76 176.23 2ksh s THR 63 N -3.79 1.60 -0.33 0.00 2.01 -1.01 -2.49 115.64 111.63 2ksh s THR 63 Ca 0.03 -0.70 -0.03 0.00 0.31 0.00 0.00 61.69 61.30 2ksh s THR 63 Cb 0.00 -1.45 0.06 0.00 0.01 0.00 0.00 72.50 71.12 2ksh s THR 63 CO -0.11 0.46 0.06 -0.22 -0.69 0.00 0.00 174.62 174.12 2ksh s LEU 64 N 0.93 4.21 -0.26 4.42 2.96 0.82 0.03 118.68 131.80 2ksh s LEU 64 Ca -0.07 -1.36 -0.16 0.00 -0.22 0.00 0.00 54.13 52.32 2ksh s LEU 64 Cb -0.15 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 2ksh s LEU 64 CO -0.01 -0.32 0.41 -0.89 -1.32 0.00 0.00 176.35 174.22 2ksh s THR 65 N 1.27 5.16 -0.16 3.68 2.01 -0.89 -2.42 115.64 124.29 2ksh s THR 65 Ca -0.02 0.66 -0.13 0.00 0.31 0.00 0.00 61.69 62.51 2ksh s THR 65 Cb -0.20 -3.73 0.04 0.00 0.01 0.00 0.00 72.50 68.62 2ksh s THR 65 CO -0.01 0.16 0.41 -0.32 -0.69 0.00 0.00 174.62 174.18 2ksh s MET 66 N 1.98 0.46 1.12 4.92 1.75 -0.88 -2.93 119.30 125.73 2ksh s MET 66 Ca 0.17 0.62 -0.13 0.00 -1.25 0.00 0.00 55.69 55.11 2ksh s MET 66 Cb -0.16 0.18 0.26 0.00 2.84 0.00 0.00 34.83 37.95 2ksh s MET 66 CO 0.09 -0.08 1.04 -1.21 -0.65 0.00 0.00 175.02 174.22 2ksh s GLU 67 N 0.48 -0.60 0.05 4.11 2.02 -1.26 -3.60 118.70 119.89 2ksh s GLU 67 Ca -0.02 0.81 -0.28 0.00 0.02 0.00 0.00 54.97 55.50 2ksh s GLU 67 Cb -0.04 -1.59 -0.17 0.00 0.10 0.00 0.00 34.13 32.42 2ksh s GLU 67 CO -0.02 -3.50 1.47 0.22 0.02 0.00 0.00 175.26 173.44 2ksh h ASP 68 N -2.46 -0.48 -0.13 -0.19 1.82 -1.88 0.51 116.42 113.60 2ksh h ASP 68 Ca -0.59 -0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 55.97 2ksh h ASP 68 Cb 1.33 0.13 -0.01 0.00 0.68 0.00 0.00 39.33 41.45 2ksh h ASP 68 CO 0.51 -0.23 0.04 -2.24 -1.61 0.00 0.00 179.24 175.71 2ksh h ASP 69 N -0.72 0.25 0.04 2.28 3.04 -1.93 -2.47 116.42 116.92 2ksh h ASP 69 Ca -0.06 -0.02 -0.00 0.00 -3.24 0.00 0.00 57.03 53.71 2ksh h ASP 69 Cb 0.51 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 38.74 2ksh h ASP 69 CO 0.10 0.27 -0.02 0.40 -2.04 0.00 0.00 179.24 177.95 2ksh h ILE 70 N 0.28 1.37 -0.87 4.15 1.08 -1.87 -3.07 117.51 118.59 2ksh h ILE 70 Ca 0.07 -1.61 0.23 0.00 -0.39 0.00 0.00 64.86 63.16 2ksh h ILE 70 Cb 0.13 2.39 -0.05 0.00 -3.07 0.00 0.00 36.82 36.22 2ksh h ILE 70 CO -0.00 0.39 0.61 -0.03 -0.69 0.00 0.00 178.15 178.42 2ksh h MET 71 N -0.80 0.13 -0.28 2.37 4.05 0.19 0.12 114.93 120.70 2ksh h MET 71 Ca -0.01 -0.01 -0.17 0.00 -0.28 0.00 0.00 59.70 59.24 2ksh h MET 71 Cb 0.68 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.45 2ksh h MET 71 CO 0.01 0.09 -0.48 0.35 0.23 0.00 0.00 176.91 177.10 2ksh h PHE 72 N 0.13 1.03 0.27 1.39 3.57 -1.47 0.57 116.94 122.44 2ksh h PHE 72 Ca 0.43 -0.36 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2ksh h PHE 72 Cb 1.48 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 40.02 2ksh h PHE 72 CO -0.00 1.17 -0.13 0.00 -2.23 0.00 0.00 178.31 177.12 2ksh h ALA 73 N 0.68 -0.37 0.00 2.41 0.00 -0.68 -0.55 119.26 120.75 2ksh h ALA 73 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2ksh h ALA 73 Cb 1.09 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2ksh h ALA 73 CO 0.11 -0.71 -0.08 0.82 0.00 0.00 0.00 179.25 179.39 2ksh h ILE 74 N -0.37 0.00 -0.05 0.00 1.08 -1.49 0.57 117.51 117.26 2ksh h ILE 74 Ca -0.03 -0.94 -0.20 0.00 -0.39 0.00 0.00 64.86 63.30 2ksh h ILE 74 Cb 0.29 1.90 -0.00 0.00 -3.07 0.00 0.00 36.82 35.93 2ksh h ILE 74 CO 0.05 0.00 -0.80 1.23 -0.69 0.00 0.00 178.15 177.94 2ksh h GLY 75 N 4.06 0.42 -2.53 5.37 0.00 0.45 -3.16 103.07 107.68 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 -3.79 0.83 -0.75 4.70 5.66 -0.24 -4.92 114.28 115.77 2ksh n THR 76 Ca -0.05 -0.90 0.00 0.00 -3.05 0.00 0.00 64.05 60.06 2ksh n THR 76 Cb 0.75 0.61 0.00 0.00 -1.55 0.00 0.00 70.33 70.15 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 1.60 1.50 0.46 1.09 0.00 -1.14 -4.92 105.19 103.78 2ksh n GLY 77 Ca 0.23 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.86 -3.69 4.61 0.00 -0.24 -3.42 119.26 115.66 2ksh h ALA 78 Ca 0.00 -0.07 -0.68 0.00 0.00 0.00 0.00 54.91 54.16 2ksh h ALA 78 Cb 0.00 0.91 -0.18 0.00 0.00 0.00 0.00 17.79 18.52 2ksh h ALA 78 CO 0.00 -1.07 -0.72 -0.51 0.00 0.00 0.00 179.25 176.95 2ksh s LEU 79 N -10.28 3.05 0.14 0.00 1.43 0.21 -4.97 118.68 108.27 2ksh s LEU 79 Ca -0.16 -0.20 -0.31 0.00 -1.03 0.00 0.00 54.13 52.44 2ksh s LEU 79 Cb 0.07 -1.75 -0.08 0.00 0.03 0.00 0.00 46.19 44.46 2ksh s LEU 79 CO 0.62 0.28 1.34 -2.16 0.23 0.00 0.00 176.35 176.66 2ksh s PRO 80 N -1.39 4.36 0.51 1.29 0.04 -1.26 -3.86 135.00 134.69 2ksh s PRO 80 Ca 0.16 2.04 0.24 0.00 0.04 0.00 0.00 61.00 63.49 2ksh s PRO 80 Cb -0.11 -3.23 1.38 0.00 0.04 0.00 0.00 34.50 32.57 2ksh s PRO 80 CO 0.07 -0.35 2.07 0.00 0.04 0.00 0.00 177.00 178.83 2ksh h ALA 81 N 6.22 1.41 0.01 8.56 0.00 -1.96 -2.30 119.26 131.20 2ksh h ALA 81 Ca -0.43 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 2ksh h ALA 81 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2ksh h ALA 81 CO 0.82 0.16 -0.00 1.57 0.00 0.00 0.00 179.25 181.79 2ksh h LYS 82 N 0.00 -0.01 0.08 0.00 2.10 -1.99 -2.52 116.57 114.23 2ksh h LYS 82 Ca -0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2ksh h LYS 82 Cb 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 2ksh h LYS 82 CO 0.02 0.35 -0.04 0.93 -2.00 0.00 0.00 179.45 178.71 2ksh h GLU 83 N -0.38 -0.10 -1.00 0.07 4.39 -1.91 -2.16 114.58 113.49 2ksh h GLU 83 Ca -0.00 0.01 0.22 0.00 0.34 0.00 0.00 59.36 59.93 2ksh h GLU 83 Cb 0.37 0.02 -0.11 0.00 -0.10 0.00 0.00 28.75 28.93 2ksh h GLU 83 CO 0.00 0.10 0.62 0.00 -1.16 0.00 0.00 179.01 178.56 2ksh h ALA 84 N 0.62 1.84 -0.24 3.43 0.00 -1.48 0.56 119.26 123.99 2ksh h ALA 84 Ca -0.01 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 2ksh h ALA 84 Cb 0.24 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2ksh h ALA 84 CO 0.02 -0.24 -0.46 0.52 0.00 0.00 0.00 179.25 179.08 2ksh h MET 85 N 0.62 0.62 0.00 0.00 2.86 -1.21 -0.80 114.93 117.02 2ksh h MET 85 Ca 0.60 -0.35 -0.07 0.00 -2.06 0.00 0.00 59.70 57.82 2ksh h MET 85 Cb 1.12 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 2ksh h MET 85 CO -0.39 0.95 -0.33 0.00 1.06 0.00 0.00 176.91 178.21 2ksh h ALA 86 N 0.99 0.84 -0.25 6.32 0.00 0.02 -3.02 119.26 124.16 2ksh h ALA 86 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2ksh h ALA 86 Cb 1.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2ksh h ALA 86 CO 0.09 0.41 0.00 1.04 0.00 0.00 0.00 179.25 180.79 2ksh n GLN 87 N -3.25 1.62 -1.41 0.00 1.13 0.16 -4.87 117.38 110.77 2ksh n GLN 87 Ca 0.02 -0.96 -0.14 0.00 -1.94 0.00 0.00 57.00 53.97 2ksh n GLN 87 Cb 0.61 -1.25 -0.06 0.00 0.11 0.00 0.00 30.24 29.65 2ksh n GLN 87 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2ksh n ASP 88 N 0.26 -5.63 -0.20 1.08 9.92 -1.14 -4.80 116.55 116.04 2ksh n ASP 88 Ca 0.10 0.35 0.15 0.00 -0.53 0.00 0.00 54.79 54.86 2ksh n ASP 88 Cb 0.24 -4.36 0.68 0.00 -0.64 0.00 0.00 41.12 37.04 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 -1.34 1.11 -3.52 -1.24 4.76 -0.32 -4.88 118.16 112.73 2ksh n LYS 89 Ca -0.14 -0.41 -0.13 0.00 -2.87 0.00 0.00 58.31 54.77 2ksh n LYS 89 Cb 0.62 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 32.27 2ksh n LYS 89 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ksh s MET 90 N -2.17 0.87 0.20 1.97 0.23 -1.13 -4.73 119.30 114.53 2ksh s MET 90 Ca 0.38 0.01 0.02 0.00 -1.03 0.00 0.00 55.69 55.07 2ksh s MET 90 Cb 0.21 0.41 -0.05 0.00 -1.53 0.00 0.00 34.83 33.87 2ksh s MET 90 CO 0.40 -0.31 0.01 -2.00 -2.03 0.00 0.00 175.02 171.08 2ksh s GLU 91 N -1.90 1.19 -0.09 3.16 2.56 -1.15 -4.50 118.70 117.97 2ksh s GLU 91 Ca -0.03 -1.59 -0.12 0.00 0.00 0.00 0.00 54.97 53.23 2ksh s GLU 91 Cb -0.00 -0.35 0.03 0.00 2.00 0.00 0.00 34.13 35.81 2ksh s GLU 91 CO 0.00 -0.14 0.32 0.54 -0.56 0.00 0.00 175.26 175.42 2ksh s VAL 92 N -3.61 0.02 0.51 3.70 0.11 -1.26 -2.09 120.40 117.77 2ksh s VAL 92 Ca 0.26 -0.13 0.01 0.00 -2.93 0.00 0.00 61.98 59.20 2ksh s VAL 92 Cb 0.06 -0.49 -0.01 0.00 -1.53 0.00 0.00 36.38 34.41 2ksh s VAL 92 CO 0.06 -0.07 0.02 -0.62 -3.33 0.00 0.00 175.10 171.16 2ksh s ASP 93 N -0.22 3.96 0.73 3.54 -1.08 0.10 -4.95 116.67 118.76 2ksh s ASP 93 Ca -0.04 -1.70 0.00 0.00 -0.52 0.00 0.00 52.55 50.30 2ksh s ASP 93 Cb -0.03 0.63 0.00 0.00 -1.46 0.00 0.00 42.92 42.06 2ksh s ASP 93 CO 0.01 -0.92 0.00 0.61 0.52 0.00 0.00 175.17 175.40 2ksh n GLY 94 N -1.25 1.32 3.35 2.66 0.00 -1.26 -2.40 105.19 107.62 2ksh n GLY 94 Ca -0.19 -0.75 -0.45 0.00 0.00 0.00 0.00 46.02 44.64 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 3.04 0.54 1.61 -1.52 -1.19 -4.90 119.66 117.25 2ksh s GLN 95 Ca 0.00 -1.48 0.21 0.00 -1.95 0.00 0.00 55.36 52.14 2ksh s GLN 95 Cb 0.00 -4.29 1.44 0.00 -0.22 0.00 0.00 33.01 29.94 2ksh s GLN 95 CO 0.00 -1.47 2.16 0.28 -0.25 0.00 0.00 175.29 176.01 2ksh h VAL 96 N 5.89 0.83 0.00 1.09 2.07 -1.93 0.16 116.25 124.35 2ksh h VAL 96 Ca -0.28 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 2ksh h VAL 96 Cb 1.09 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 2ksh h VAL 96 CO 1.08 0.00 -0.24 -0.33 0.02 0.00 0.00 177.57 178.09 2ksh h GLU 97 N 0.00 0.00 0.12 1.57 4.39 -1.98 -3.01 114.58 115.67 2ksh h GLU 97 Ca 0.03 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2ksh h GLU 97 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2ksh h GLU 97 CO -0.00 0.24 -0.06 -0.07 -1.16 0.00 0.00 179.01 177.96 2ksh h LEU 98 N 0.00 -0.13 -1.98 1.33 -0.00 -1.38 -3.21 115.31 109.95 2ksh h LEU 98 Ca -0.00 -0.11 0.10 0.00 -0.00 0.00 0.00 57.88 57.87 2ksh h LEU 98 Cb 0.86 0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.54 2ksh h LEU 98 CO 0.03 0.40 0.43 0.16 -0.00 0.00 0.00 178.44 179.46 2ksh h ILE 99 N -1.02 0.33 -0.27 1.22 -0.00 -1.58 0.18 117.51 116.37 2ksh h ILE 99 Ca -0.02 0.00 -0.16 0.00 -0.00 0.00 0.00 64.86 64.68 2ksh h ILE 99 Cb 0.24 0.65 -0.01 0.00 -0.00 0.00 0.00 36.82 37.70 2ksh h ILE 99 CO 0.03 0.00 -0.48 0.15 -0.00 0.00 0.00 178.15 177.85 2ksh h PHE 100 N 0.00 0.89 0.00 0.16 3.04 -1.59 -2.70 116.94 116.74 2ksh h PHE 100 Ca 0.17 -0.29 0.00 0.00 3.98 0.00 0.00 57.97 61.83 2ksh h PHE 100 Cb 1.03 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.36 2ksh h PHE 100 CO 0.00 1.06 0.00 1.28 -2.02 0.00 0.00 178.31 178.63 2ksh n LEU 101 N -4.01 0.29 0.07 0.59 4.77 0.63 -2.27 117.00 117.08 2ksh n LEU 101 Ca -0.03 0.58 -0.18 0.00 -0.03 0.00 0.00 56.01 56.36 2ksh n LEU 101 Cb 0.58 -0.56 -0.14 0.00 -2.33 0.00 0.00 43.42 40.97 2ksh n LEU 101 CO 0.48 -0.45 -0.32 -0.07 -1.33 0.00 0.00 177.39 175.69 2ksh h LEU 102 N 0.00 0.44 -0.45 2.23 3.38 -1.42 -3.31 115.31 116.18 2ksh h LEU 102 Ca 0.00 -0.59 0.06 0.00 0.09 0.00 0.00 57.88 57.43 2ksh h LEU 102 Cb 0.24 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.76 2ksh h LEU 102 CO 0.00 1.49 -0.53 -0.33 0.09 0.00 0.00 178.44 179.16 2ksh h GLU 103 N 0.08 -0.35 0.00 1.13 4.39 -1.45 0.57 114.58 118.95 2ksh h GLU 103 Ca -0.24 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.48 2ksh h GLU 103 Cb 2.03 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.76 2ksh h GLU 103 CO 0.17 -0.23 0.00 -0.35 -1.16 0.00 0.00 179.01 177.44 2ksh n PRO 104 N -5.38 0.25 0.00 2.33 -0.04 -1.26 -1.94 135.00 128.96 2ksh n PRO 104 Ca -0.02 0.13 0.11 0.00 -0.04 0.00 0.00 63.50 63.67 2ksh n PRO 104 Cb 0.34 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.19 2ksh n PRO 104 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2ksh n PHE 105 N -1.25 0.05 -0.27 0.54 7.35 0.18 -4.33 117.46 119.74 2ksh n PHE 105 Ca 0.08 0.02 0.19 0.00 -0.76 0.00 0.00 57.45 56.97 2ksh n PHE 105 Cb 0.11 -0.27 0.48 0.00 0.35 0.00 0.00 39.48 40.16 2ksh n PHE 105 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2ksh h ILE 106 N 0.00 0.67 -0.43 -2.13 2.04 -0.23 0.25 117.51 117.68 2ksh h ILE 106 Ca 0.00 -0.16 0.10 0.00 1.00 0.00 0.00 64.86 65.80 2ksh h ILE 106 Cb 0.73 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 2ksh h ILE 106 CO 0.00 0.08 0.30 0.00 0.00 0.00 0.00 178.15 178.54 2ksh h ALA 107 N 1.61 2.22 0.03 1.87 0.00 -1.75 -2.24 119.26 120.99 2ksh h ALA 107 Ca 0.50 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 2ksh h ALA 107 Cb 1.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2ksh h ALA 107 CO -0.21 -0.33 -0.01 1.03 0.00 0.00 0.00 179.25 179.73 2ksh h SER 108 N 0.14 -0.03 -2.44 0.00 0.87 -0.80 -3.32 113.55 107.98 2ksh h SER 108 Ca 0.20 -0.47 -0.81 0.00 -1.23 0.00 0.00 61.79 59.48 2ksh h SER 108 Cb 0.61 0.01 -0.27 0.00 -0.44 0.00 0.00 62.40 62.32 2ksh h SER 108 CO -0.03 0.46 1.02 0.18 -0.53 0.00 0.00 176.83 177.93 2ksh n LEU 109 N -4.87 7.03 0.00 2.23 4.77 -0.86 -5.03 117.00 120.27 2ksh n LEU 109 Ca -0.09 -5.29 0.00 0.00 -0.03 0.00 0.00 56.01 50.60 2ksh n LEU 109 Cb 0.26 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 2ksh n LEU 109 CO 0.33 1.90 0.00 1.17 -1.33 0.00 0.00 177.39 179.46