#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 4.43 -0.13 7.83 1.04 -1.26 -5.10 113.70 120.52 2ksh s SER 2 Ca 0.00 -1.14 -0.01 0.00 0.48 0.00 0.00 55.95 55.28 2ksh s SER 2 Cb 0.00 -1.63 -0.02 0.00 0.10 0.00 0.00 66.02 64.47 2ksh s SER 2 CO 0.00 -0.18 -0.10 -0.76 0.98 0.00 0.00 173.24 173.18 2ksh s LEU 3 N 1.23 2.88 0.48 2.42 1.43 -1.26 -5.00 118.68 120.87 2ksh s LEU 3 Ca -0.04 -0.25 0.18 0.00 -1.03 0.00 0.00 54.13 52.99 2ksh s LEU 3 Cb -0.18 -1.66 1.19 0.00 0.03 0.00 0.00 46.19 45.57 2ksh s LEU 3 CO -0.04 0.18 2.01 0.11 0.23 0.00 0.00 176.35 178.85 2ksh h LYS 4 N 6.57 0.20 -0.08 1.70 1.79 -1.99 0.51 116.57 125.27 2ksh h LYS 4 Ca -0.29 -0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.19 2ksh h LYS 4 Cb 1.20 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.80 2ksh h LYS 4 CO 0.57 0.13 0.12 0.66 -1.08 0.00 0.00 179.45 179.85 2ksh h SER 5 N 0.20 0.00 -0.83 0.86 4.64 -1.95 -1.42 113.55 115.06 2ksh h SER 5 Ca 0.22 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.68 2ksh h SER 5 Cb 0.60 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.63 2ksh h SER 5 CO -0.04 0.00 0.54 0.44 -0.87 0.00 0.00 176.83 176.90 2ksh h ASP 6 N 0.00 0.54 0.01 4.97 3.32 -1.30 -1.71 116.42 122.25 2ksh h ASP 6 Ca 0.04 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 2ksh h ASP 6 Cb 0.28 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2ksh h ASP 6 CO -0.00 0.28 -0.01 -0.33 -1.72 0.00 0.00 179.24 177.46 2ksh h GLU 7 N 0.58 -0.01 -0.26 3.56 5.08 -1.44 -2.02 114.58 120.06 2ksh h GLU 7 Ca 0.41 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.82 2ksh h GLU 7 Cb 0.76 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.96 2ksh h GLU 7 CO -0.16 0.27 -0.07 0.28 -1.00 0.00 0.00 179.01 178.32 2ksh h VAL 8 N -0.29 0.73 -0.58 3.13 2.07 -1.47 0.14 116.25 119.99 2ksh h VAL 8 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2ksh h VAL 8 Cb 0.29 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2ksh h VAL 8 CO 0.00 0.00 0.38 -0.26 0.02 0.00 0.00 177.57 177.71 2ksh h PHE 9 N -0.01 0.67 -0.35 1.57 0.04 -1.36 0.21 116.94 117.72 2ksh h PHE 9 Ca 0.13 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.80 2ksh h PHE 9 Cb 0.20 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 2ksh h PHE 9 CO -0.27 0.41 -0.24 0.00 -0.60 0.00 0.00 178.31 177.61 2ksh h ALA 10 N 1.66 0.50 -0.09 2.45 0.00 -0.47 -1.38 119.26 121.94 2ksh h ALA 10 Ca 0.22 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 2ksh h ALA 10 Cb 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2ksh h ALA 10 CO -0.06 0.49 -0.17 0.87 0.00 0.00 0.00 179.25 180.38 2ksh h LYS 11 N 0.57 0.27 -0.89 0.00 1.57 -0.38 -2.82 116.57 114.90 2ksh h LYS 11 Ca 0.07 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2ksh h LYS 11 Cb 0.80 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.09 2ksh h LYS 11 CO 0.07 0.77 0.58 0.82 -0.57 0.00 0.00 179.45 181.12 2ksh h ILE 12 N -0.19 1.20 -0.92 1.86 2.04 -0.64 -2.17 117.51 118.70 2ksh h ILE 12 Ca 0.00 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 2ksh h ILE 12 Cb 0.76 -0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 2ksh h ILE 12 CO 0.04 0.21 0.53 0.00 0.00 0.00 0.00 178.15 178.93 2ksh h ALA 13 N 1.34 1.17 -0.16 1.87 0.00 -1.27 -0.62 119.26 121.59 2ksh h ALA 13 Ca 0.33 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 2ksh h ALA 13 Cb -0.10 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.31 2ksh h ALA 13 CO -0.08 0.65 -0.20 -0.22 0.00 0.00 0.00 179.25 179.40 2ksh h LYS 14 N 1.27 0.28 0.02 0.00 3.64 -1.15 -2.54 116.57 118.09 2ksh h LYS 14 Ca 0.33 -0.08 -0.21 0.00 -1.27 0.00 0.00 60.65 59.42 2ksh h LYS 14 Cb -0.02 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2ksh h LYS 14 CO -0.06 0.47 -0.93 -0.09 -2.27 0.00 0.00 179.45 176.57 2ksh h ARG 15 N 0.25 0.18 0.00 1.90 2.43 -0.79 -3.08 114.38 115.28 2ksh h ARG 15 Ca 0.05 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 2ksh h ARG 15 Cb 0.50 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2ksh h ARG 15 CO 0.03 0.99 0.00 1.28 -1.51 0.00 0.00 179.97 180.76 2ksh n LEU 16 N -3.61 0.22 0.00 3.80 4.77 -0.30 -2.49 117.00 119.38 2ksh n LEU 16 Ca -0.04 0.54 0.13 0.00 -0.03 0.00 0.00 56.01 56.62 2ksh n LEU 16 Cb 0.84 -0.49 0.60 0.00 -2.33 0.00 0.00 43.42 42.05 2ksh n LEU 16 CO 0.48 -0.22 0.94 -0.62 -1.33 0.00 0.00 177.39 176.65 2ksh n GLU 17 N -1.73 0.03 -0.01 3.23 1.02 -0.99 -2.86 120.64 119.34 2ksh n GLU 17 Ca 0.05 0.02 0.09 0.00 -0.02 0.00 0.00 57.16 57.30 2ksh n GLU 17 Cb 0.27 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.27 2ksh n GLU 17 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2ksh n SER 18 N -1.48 2.54 -4.69 1.62 2.88 -1.04 -5.00 113.62 108.45 2ksh n SER 18 Ca 0.07 -1.76 -0.41 0.00 -1.33 0.00 0.00 58.87 55.44 2ksh n SER 18 Cb 0.32 -0.01 0.01 0.00 -0.75 0.00 0.00 64.21 63.78 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 1.03 2.48 -4.29 2.46 2.08 -1.13 -5.01 119.36 116.97 2ksh n ILE 19 Ca 0.11 -0.50 -0.22 0.00 0.56 0.00 0.00 62.75 62.70 2ksh n ILE 19 Cb 0.46 -1.50 -0.13 0.00 -0.75 0.00 0.00 39.64 37.72 2ksh n ILE 19 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2ksh s ASP 20 N -0.54 2.21 0.00 4.38 2.15 -1.26 -5.02 116.67 118.59 2ksh s ASP 20 Ca 0.61 -0.64 0.15 0.00 0.43 0.00 0.00 52.55 53.10 2ksh s ASP 20 Cb -0.53 -0.12 0.69 0.00 -0.30 0.00 0.00 42.92 42.67 2ksh s ASP 20 CO 0.58 0.03 1.43 -0.81 -0.17 0.00 0.00 175.17 176.23 2ksh n PRO 21 N 1.26 0.12 0.09 4.34 -0.04 -1.26 -2.10 135.00 137.42 2ksh n PRO 21 Ca -0.20 0.19 0.12 0.00 -0.04 0.00 0.00 63.50 63.58 2ksh n PRO 21 Cb 0.54 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.64 2ksh n PRO 21 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ksh h ALA 22 N 2.61 0.64 -3.27 0.55 0.00 -2.01 -3.44 119.26 114.34 2ksh h ALA 22 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 2ksh h ALA 22 Cb 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.59 2ksh h ALA 22 CO 0.00 0.00 -0.77 -0.80 0.00 0.00 0.00 179.25 177.68 2ksh s ASN 23 N -4.73 2.34 -0.06 0.00 0.01 -0.89 -5.11 114.94 106.50 2ksh s ASN 23 Ca 0.05 -0.48 -0.24 0.00 -0.71 0.00 0.00 52.86 51.47 2ksh s ASN 23 Cb 0.11 -0.59 0.08 0.00 0.41 0.00 0.00 41.25 41.26 2ksh s ASN 23 CO 0.72 -0.23 1.09 -2.11 -1.51 0.00 0.00 177.10 175.06 2ksh n ARG 24 N 5.06 0.05 0.00 -0.60 1.85 -1.26 -4.43 116.66 117.33 2ksh n ARG 24 Ca -0.09 -0.48 0.00 0.00 -1.00 0.00 0.00 57.85 56.28 2ksh n ARG 24 Cb 0.48 0.89 0.00 0.00 -1.05 0.00 0.00 32.46 32.78 2ksh n ARG 24 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2ksh n GLN 25 N -0.79 0.00 -3.72 2.89 6.02 -1.26 -5.13 117.38 115.39 2ksh n GLN 25 Ca 0.05 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.92 2ksh n GLN 25 Cb 0.47 -0.07 -0.11 0.00 1.02 0.00 0.00 30.24 31.55 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 -1.80 -0.01 -0.11 5.09 0.11 -1.26 -5.15 120.40 117.26 2ksh s VAL 26 Ca 0.00 0.05 -0.00 0.00 -2.93 0.00 0.00 61.98 59.10 2ksh s VAL 26 Cb 0.00 -0.55 0.02 0.00 -1.53 0.00 0.00 36.38 34.33 2ksh s VAL 26 CO 0.00 0.02 -0.08 -1.61 -3.33 0.00 0.00 175.10 170.10 2ksh s GLU 27 N 0.75 1.59 0.29 1.54 0.41 -1.26 -5.11 118.70 116.91 2ksh s GLU 27 Ca -0.04 -0.28 -0.17 0.00 -0.41 0.00 0.00 54.97 54.06 2ksh s GLU 27 Cb -0.05 -1.60 0.02 0.00 -1.78 0.00 0.00 34.13 30.71 2ksh s GLU 27 CO -0.05 -0.24 0.66 -1.01 -0.49 0.00 0.00 175.26 174.12 2ksh s HIS 28 N 1.61 0.06 0.26 1.61 3.76 -1.26 -5.15 115.29 116.18 2ksh s HIS 28 Ca 0.03 -0.51 -0.30 0.00 -0.15 0.00 0.00 55.06 54.13 2ksh s HIS 28 Cb -0.13 0.56 -0.09 0.00 1.11 0.00 0.00 32.58 34.03 2ksh s HIS 28 CO -0.07 -1.22 1.04 0.08 -0.85 0.00 0.00 174.74 173.72 2ksh s VAL 29 N -3.67 3.70 0.16 -0.90 1.01 -1.26 -4.93 120.40 114.51 2ksh s VAL 29 Ca 0.16 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.84 2ksh s VAL 29 Cb -0.04 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 2ksh s VAL 29 CO 0.09 0.40 0.04 -0.31 0.00 0.00 0.00 175.10 175.32 2ksh s TYR 30 N -1.13 1.05 -0.10 5.22 2.02 -1.26 -2.29 117.35 120.86 2ksh s TYR 30 Ca 0.43 -1.16 -0.08 0.00 -0.37 0.00 0.00 57.07 55.89 2ksh s TYR 30 Cb -0.30 -0.59 0.03 0.00 -0.40 0.00 0.00 41.96 40.70 2ksh s TYR 30 CO 0.38 -0.40 0.26 0.15 -1.57 0.00 0.00 175.55 174.37 2ksh s LYS 31 N -4.00 0.29 -0.31 -0.62 1.02 -1.13 -1.78 119.74 113.21 2ksh s LYS 31 Ca 0.26 0.41 0.01 0.00 0.02 0.00 0.00 55.97 56.66 2ksh s LYS 31 Cb 0.07 0.09 0.10 0.00 -0.52 0.00 0.00 37.83 37.57 2ksh s LYS 31 CO 0.04 -0.06 0.07 -0.06 -0.92 0.00 0.00 175.35 174.41 2ksh s PHE 32 N 0.40 2.46 -0.26 3.18 0.08 0.08 0.25 117.98 124.16 2ksh s PHE 32 Ca -0.02 -2.16 -0.22 0.00 0.12 0.00 0.00 56.93 54.65 2ksh s PHE 32 Cb -0.04 -2.11 -0.01 0.00 -0.57 0.00 0.00 43.02 40.29 2ksh s PHE 32 CO -0.02 -0.89 0.72 -0.98 -0.10 0.00 0.00 175.22 173.95 2ksh s ARG 33 N 1.36 4.10 -0.04 0.44 1.70 0.96 -1.69 118.95 125.77 2ksh s ARG 33 Ca 0.09 0.67 -0.20 0.00 -0.47 0.00 0.00 55.73 55.82 2ksh s ARG 33 Cb -0.18 -3.67 -0.05 0.00 -0.57 0.00 0.00 34.95 30.49 2ksh s ARG 33 CO -0.18 -0.50 0.58 0.42 -1.08 0.00 0.00 175.30 174.54 2ksh s ILE 34 N 2.70 5.01 -0.01 4.99 -1.09 -1.01 -2.00 121.20 129.79 2ksh s ILE 34 Ca 0.30 1.19 0.02 0.00 -2.23 0.00 0.00 60.65 59.93 2ksh s ILE 34 Cb -0.15 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.78 2ksh s ILE 34 CO 0.09 0.37 -0.02 0.42 -1.23 0.00 0.00 174.94 174.57 2ksh s THR 35 N 0.16 4.04 -0.39 2.92 -4.23 -1.11 -0.99 115.64 116.03 2ksh s THR 35 Ca 0.31 -0.61 -0.12 0.00 -1.18 0.00 0.00 61.69 60.08 2ksh s THR 35 Cb -0.17 -2.78 0.03 0.00 1.34 0.00 0.00 72.50 70.92 2ksh s THR 35 CO 0.15 0.40 0.24 -1.58 -0.54 0.00 0.00 174.62 173.30 2ksh s GLN 36 N -1.47 2.84 0.00 3.99 0.74 0.13 -1.68 119.66 124.21 2ksh s GLN 36 Ca 0.18 -1.11 0.00 0.00 0.05 0.00 0.00 55.36 54.48 2ksh s GLN 36 Cb -0.11 -3.82 0.00 0.00 1.10 0.00 0.00 33.01 30.18 2ksh s GLN 36 CO 0.09 -0.75 0.00 0.41 -0.55 0.00 0.00 175.29 174.49 2ksh n GLY 37 N 5.04 1.25 0.00 2.59 0.00 -1.26 -3.11 105.19 109.71 2ksh n GLY 37 Ca -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 3.02 -0.02 0.00 -1.26 -5.11 105.19 101.82 2ksh n GLY 38 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.94 0.37 1.61 2.20 -1.18 -5.06 119.74 118.63 2ksh s LYS 39 Ca 0.00 -0.33 -0.26 0.00 -0.36 0.00 0.00 55.97 55.02 2ksh s LYS 39 Cb 0.00 -0.88 -0.12 0.00 -1.51 0.00 0.00 37.83 35.32 2ksh s LYS 39 CO 0.00 0.15 1.08 1.55 -0.36 0.00 0.00 175.35 177.77 2ksh n VAL 40 N 3.15 2.25 0.00 4.02 3.14 -1.26 0.20 118.33 129.82 2ksh n VAL 40 Ca -0.17 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.71 2ksh n VAL 40 Cb 0.55 -1.22 0.00 0.00 -1.06 0.00 0.00 33.84 32.10 2ksh n VAL 40 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2ksh n VAL 41 N -0.14 0.00 -3.92 1.55 0.24 -0.17 -4.72 118.33 111.17 2ksh n VAL 41 Ca 0.08 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.29 2ksh n VAL 41 Cb 0.37 -0.47 -0.02 0.00 -1.47 0.00 0.00 33.84 32.24 2ksh n VAL 41 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2ksh s LYS 42 N -1.67 1.83 -0.04 7.34 -2.85 -1.14 -5.05 119.74 118.17 2ksh s LYS 42 Ca 0.00 -1.28 0.01 0.00 -1.00 0.00 0.00 55.97 53.70 2ksh s LYS 42 Cb 0.00 0.55 0.02 0.00 -2.06 0.00 0.00 37.83 36.34 2ksh s LYS 42 CO 0.00 -0.81 -0.02 0.54 0.10 0.00 0.00 175.35 175.16 2ksh s ASN 43 N -3.03 0.70 0.00 0.03 2.20 -1.26 -2.39 114.94 111.20 2ksh s ASN 43 Ca 0.18 -0.07 0.01 0.00 -0.94 0.00 0.00 52.86 52.04 2ksh s ASN 43 Cb -0.03 -0.32 -0.04 0.00 -2.00 0.00 0.00 41.25 38.85 2ksh s ASN 43 CO 0.10 -0.09 0.03 0.26 -2.94 0.00 0.00 177.10 174.47 2ksh s TRP 44 N 1.03 3.16 0.04 1.54 0.52 -0.68 -3.78 118.94 120.76 2ksh s TRP 44 Ca -0.10 0.13 0.08 0.00 0.02 0.00 0.00 56.10 56.23 2ksh s TRP 44 Cb -0.14 -1.69 -0.03 0.00 -1.15 0.00 0.00 33.47 30.47 2ksh s TRP 44 CO -0.01 0.50 -0.23 0.08 0.02 0.00 0.00 176.95 177.31 2ksh s VAL 45 N -1.14 1.83 -0.49 4.03 1.01 0.77 -0.74 120.40 125.67 2ksh s VAL 45 Ca 0.21 -1.25 -0.17 0.00 0.00 0.00 0.00 61.98 60.77 2ksh s VAL 45 Cb -0.12 -1.58 0.06 0.00 0.00 0.00 0.00 36.38 34.75 2ksh s VAL 45 CO 0.12 0.27 0.50 -0.32 0.00 0.00 0.00 175.10 175.68 2ksh s MET 46 N -1.17 3.05 -0.34 2.72 1.75 -0.73 -2.17 119.30 122.41 2ksh s MET 46 Ca 0.09 -1.11 -0.29 0.00 -1.25 0.00 0.00 55.69 53.13 2ksh s MET 46 Cb -0.09 -4.11 -0.01 0.00 2.84 0.00 0.00 34.83 33.46 2ksh s MET 46 CO 0.02 -1.11 1.58 0.34 -0.65 0.00 0.00 175.02 175.20 2ksh s ASP 47 N 2.60 6.21 0.36 1.11 2.15 -0.37 -4.39 116.67 124.34 2ksh s ASP 47 Ca 0.09 1.16 0.23 0.00 0.43 0.00 0.00 52.55 54.47 2ksh s ASP 47 Cb -0.22 -2.53 0.36 0.00 -0.30 0.00 0.00 42.92 40.23 2ksh s ASP 47 CO 0.09 -1.47 1.54 -0.07 -0.17 0.00 0.00 175.17 175.09 2ksh h LEU 48 N 12.53 0.00 0.03 -1.34 4.07 -1.92 0.41 115.31 129.09 2ksh h LEU 48 Ca -0.31 -0.01 -0.17 0.00 0.08 0.00 0.00 57.88 57.48 2ksh h LEU 48 Cb 1.14 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.89 2ksh h LEU 48 CO 1.05 0.00 -0.67 0.50 -1.08 0.00 0.00 178.44 178.24 2ksh h LYS 49 N 0.00 0.40 -0.00 1.13 3.64 -1.96 -3.33 116.57 116.45 2ksh h LYS 49 Ca 0.00 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2ksh h LYS 49 Cb 0.95 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 2ksh h LYS 49 CO 0.00 1.14 -0.75 -1.71 -2.27 0.00 0.00 179.45 175.86 2ksh n ASN 50 N -4.18 1.11 -3.46 4.20 2.85 -1.25 -4.98 115.26 109.55 2ksh n ASN 50 Ca -0.11 -1.05 -0.24 0.00 -0.11 0.00 0.00 54.58 53.06 2ksh n ASN 50 Cb 0.71 0.87 0.06 0.00 1.24 0.00 0.00 39.78 42.67 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 -1.09 -2.64 -4.32 3.44 0.31 0.14 -4.96 118.33 109.20 2ksh n VAL 51 Ca 0.05 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.21 2ksh n VAL 51 Cb 0.32 -3.76 -0.10 0.00 -0.91 0.00 0.00 33.84 29.39 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 -6.17 1.28 -0.16 5.55 2.20 -0.98 -4.31 119.74 117.16 2ksh s LYS 52 Ca 0.52 -1.61 -0.13 0.00 -0.36 0.00 0.00 55.97 54.38 2ksh s LYS 52 Cb -0.23 -0.77 -0.05 0.00 -1.51 0.00 0.00 37.83 35.28 2ksh s LYS 52 CO 0.64 0.02 0.27 -0.51 -0.36 0.00 0.00 175.35 175.40 2ksh s LEU 53 N -3.29 4.26 0.30 5.43 2.01 -1.26 -1.24 118.68 124.88 2ksh s LEU 53 Ca 0.24 0.49 -0.06 0.00 0.01 0.00 0.00 54.13 54.80 2ksh s LEU 53 Cb 0.04 -2.33 -0.00 0.00 0.01 0.00 0.00 46.19 43.90 2ksh s LEU 53 CO 0.06 0.13 0.45 0.68 1.01 0.00 0.00 176.35 178.69 2ksh s VAL 54 N 0.32 0.00 -0.31 -1.59 -7.23 -0.92 -4.99 120.40 105.67 2ksh s VAL 54 Ca 0.16 -1.55 -0.10 0.00 -1.81 0.00 0.00 61.98 58.68 2ksh s VAL 54 Cb -0.13 -2.49 -0.01 0.00 0.56 0.00 0.00 36.38 34.32 2ksh s VAL 54 CO 0.03 0.00 0.15 -1.83 -0.31 0.00 0.00 175.10 173.14 2ksh s GLU 55 N -3.47 3.34 0.22 4.82 -1.05 -1.26 -0.16 118.70 121.14 2ksh s GLU 55 Ca 0.28 -0.71 -0.13 0.00 -0.15 0.00 0.00 54.97 54.25 2ksh s GLU 55 Cb 0.00 -3.56 0.00 0.00 -0.44 0.00 0.00 34.13 30.14 2ksh s GLU 55 CO 0.15 -0.41 0.45 0.45 0.95 0.00 0.00 175.26 176.85 2ksh s SER 56 N 1.61 -0.10 0.00 0.83 0.15 -1.25 -4.92 113.70 110.02 2ksh s SER 56 Ca 0.05 -0.81 0.17 0.00 0.70 0.00 0.00 55.95 56.06 2ksh s SER 56 Cb -0.17 0.55 0.32 0.00 -1.71 0.00 0.00 66.02 65.01 2ksh s SER 56 CO 0.06 -1.07 1.23 -0.67 1.20 0.00 0.00 173.24 174.00 2ksh n ASP 57 N -0.34 2.97 -4.49 5.45 -0.08 -1.26 -4.51 116.55 114.29 2ksh n ASP 57 Ca -0.05 -1.87 -0.38 0.00 -1.51 0.00 0.00 54.79 50.98 2ksh n ASP 57 Cb 0.62 -0.19 0.04 0.00 2.34 0.00 0.00 41.12 43.93 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 1.03 -0.76 -4.76 1.67 2.03 -1.26 -4.88 116.55 109.62 2ksh n ASP 58 Ca 0.14 0.75 -0.41 0.00 0.52 0.00 0.00 54.79 55.79 2ksh n ASP 58 Cb 0.48 -1.21 -0.02 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 -1.69 3.55 0.14 -1.67 0.00 -1.26 -5.03 121.76 115.81 2ksh s ALA 59 Ca 0.70 1.35 0.09 0.00 0.00 0.00 0.00 51.96 54.10 2ksh s ALA 59 Cb -0.44 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.11 2ksh s ALA 59 CO 0.53 -0.76 -0.22 0.00 0.00 0.00 0.00 175.76 175.31 2ksh s ALA 60 N -0.80 2.07 -0.33 0.00 0.00 -1.26 -4.91 121.76 116.52 2ksh s ALA 60 Ca 0.53 -1.41 0.25 0.00 0.00 0.00 0.00 51.96 51.33 2ksh s ALA 60 Cb -0.42 -0.26 1.10 0.00 0.00 0.00 0.00 23.12 23.53 2ksh s ALA 60 CO 0.52 0.37 1.76 0.93 0.00 0.00 0.00 175.76 179.34 2ksh h GLU 61 N 3.68 0.00 -2.59 0.00 4.39 -1.80 -3.45 114.58 114.81 2ksh h GLU 61 Ca -0.46 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.31 2ksh h GLU 61 Cb 1.19 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.71 2ksh h GLU 61 CO 0.44 0.00 0.38 0.00 -1.16 0.00 0.00 179.01 178.66 2ksh s ALA 62 N -3.42 -1.70 -0.13 3.43 0.00 -1.26 -2.60 121.76 116.08 2ksh s ALA 62 Ca 0.03 0.69 0.02 0.00 0.00 0.00 0.00 51.96 52.69 2ksh s ALA 62 Cb 0.09 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.85 2ksh s ALA 62 CO 0.39 -0.76 -0.17 0.99 0.00 0.00 0.00 175.76 176.20 2ksh s THR 63 N -3.40 1.72 -0.36 0.00 2.01 -0.83 -2.82 115.64 111.94 2ksh s THR 63 Ca 0.04 -0.76 -0.07 0.00 0.31 0.00 0.00 61.69 61.21 2ksh s THR 63 Cb -0.01 -1.56 0.05 0.00 0.01 0.00 0.00 72.50 70.99 2ksh s THR 63 CO -0.09 0.48 0.15 -0.76 -0.69 0.00 0.00 174.62 173.72 2ksh s LEU 64 N 1.07 4.59 -0.29 4.42 1.02 0.14 -0.08 118.68 129.55 2ksh s LEU 64 Ca -0.03 -1.26 -0.12 0.00 0.02 0.00 0.00 54.13 52.73 2ksh s LEU 64 Cb -0.14 -1.90 -0.04 0.00 0.02 0.00 0.00 46.19 44.12 2ksh s LEU 64 CO -0.05 -0.39 0.23 -0.89 0.02 0.00 0.00 176.35 175.27 2ksh s THR 65 N 1.40 5.28 -0.14 5.49 2.01 -0.55 -0.03 115.64 129.11 2ksh s THR 65 Ca 0.00 0.17 -0.09 0.00 0.31 0.00 0.00 61.69 62.08 2ksh s THR 65 Cb -0.20 -3.59 0.05 0.00 0.01 0.00 0.00 72.50 68.77 2ksh s THR 65 CO 0.03 0.19 0.34 -0.04 -0.69 0.00 0.00 174.62 174.45 2ksh s MET 66 N 1.81 0.34 1.00 4.92 -1.94 -0.85 -2.31 119.30 122.27 2ksh s MET 66 Ca 0.08 0.62 -0.13 0.00 -1.71 0.00 0.00 55.69 54.55 2ksh s MET 66 Cb -0.16 0.01 0.10 0.00 2.01 0.00 0.00 34.83 36.78 2ksh s MET 66 CO 0.11 -0.13 0.52 0.39 -0.01 0.00 0.00 175.02 175.90 2ksh n GLU 67 N 3.87 -0.81 0.11 2.03 1.02 -1.26 -2.76 120.64 122.83 2ksh n GLU 67 Ca -0.21 -0.20 -0.12 0.00 -0.02 0.00 0.00 57.16 56.61 2ksh n GLU 67 Cb 0.55 -1.95 -0.08 0.00 -0.02 0.00 0.00 31.44 29.94 2ksh n GLU 67 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2ksh h ASP 68 N -1.85 -0.26 0.15 1.62 1.82 -1.67 0.50 116.42 116.73 2ksh h ASP 68 Ca -0.47 -0.26 -0.03 0.00 -0.39 0.00 0.00 57.03 55.88 2ksh h ASP 68 Cb 1.30 0.07 -0.00 0.00 0.68 0.00 0.00 39.33 41.37 2ksh h ASP 68 CO 0.38 0.17 -0.14 -0.78 -1.61 0.00 0.00 179.24 177.27 2ksh h ASP 69 N -0.76 0.00 0.00 2.28 1.82 -1.92 -1.92 116.42 115.92 2ksh h ASP 69 Ca -0.03 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.58 2ksh h ASP 69 Cb 0.50 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.51 2ksh h ASP 69 CO 0.05 0.14 -0.16 0.40 -1.61 0.00 0.00 179.24 178.06 2ksh h ILE 70 N 0.00 1.70 -0.46 2.25 1.08 -1.91 -3.24 117.51 116.93 2ksh h ILE 70 Ca -0.00 -2.34 0.13 0.00 -0.39 0.00 0.00 64.86 62.26 2ksh h ILE 70 Cb 0.25 3.27 -0.02 0.00 -3.07 0.00 0.00 36.82 37.25 2ksh h ILE 70 CO 0.02 0.58 0.33 -0.03 -0.69 0.00 0.00 178.15 178.36 2ksh h MET 71 N -0.98 0.03 -0.30 2.37 4.05 0.13 -1.06 114.93 119.17 2ksh h MET 71 Ca -0.04 -0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.30 2ksh h MET 71 Cb 1.05 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.84 2ksh h MET 71 CO -0.02 0.02 -0.10 0.35 0.23 0.00 0.00 176.91 177.39 2ksh h PHE 72 N 0.03 0.67 -0.37 1.39 3.57 -1.44 0.79 116.94 121.58 2ksh h PHE 72 Ca 0.22 -0.15 0.03 0.00 3.53 0.00 0.00 57.97 61.59 2ksh h PHE 72 Cb 0.84 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 2ksh h PHE 72 CO -0.00 0.80 0.19 0.00 -2.23 0.00 0.00 178.31 177.07 2ksh h ALA 73 N 0.77 0.46 0.08 2.41 0.00 -1.22 -1.30 119.26 120.46 2ksh h ALA 73 Ca 0.07 0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.75 2ksh h ALA 73 Cb 0.60 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2ksh h ALA 73 CO 0.04 -0.18 -1.12 0.82 0.00 0.00 0.00 179.25 178.80 2ksh h ILE 74 N 0.38 1.56 -0.12 0.00 2.04 -1.46 0.63 117.51 120.54 2ksh h ILE 74 Ca 0.16 -3.09 -0.02 0.00 1.00 0.00 0.00 64.86 62.90 2ksh h ILE 74 Cb 0.06 2.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 2ksh h ILE 74 CO -0.11 0.90 -0.01 1.23 0.00 0.00 0.00 178.15 180.16 2ksh h GLY 75 N 1.99 0.19 -2.06 5.37 0.00 0.89 -1.54 103.07 107.91 2ksh h GLY 75 Ca -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2ksh h GLY 75 CO 0.17 0.08 0.00 -0.37 0.00 0.00 0.00 176.54 176.43 2ksh n THR 76 N -4.42 0.29 0.00 4.70 5.66 -0.51 -4.93 114.28 115.07 2ksh n THR 76 Ca -0.01 -0.62 0.00 0.00 -3.05 0.00 0.00 64.05 60.37 2ksh n THR 76 Cb 0.16 1.13 0.00 0.00 -1.55 0.00 0.00 70.33 70.07 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 1.43 2.13 0.00 1.09 0.00 -0.58 -4.95 105.19 104.31 2ksh n GLY 77 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.08 -2.53 4.61 0.00 0.20 -4.57 120.51 117.53 2ksh n ALA 78 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 2ksh n ALA 78 Cb 0.00 0.28 -0.06 0.00 0.00 0.00 0.00 19.45 19.67 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 -3.83 4.37 0.05 0.00 1.43 -0.03 -4.94 118.68 115.72 2ksh s LEU 79 Ca 0.00 0.86 -0.31 0.00 -1.03 0.00 0.00 54.13 53.66 2ksh s LEU 79 Cb 0.00 -2.96 -0.07 0.00 0.03 0.00 0.00 46.19 43.20 2ksh s LEU 79 CO 0.00 0.19 1.41 -2.16 0.23 0.00 0.00 176.35 176.01 2ksh s PRO 80 N -1.78 4.30 0.58 1.29 0.04 -1.26 -3.78 135.00 134.38 2ksh s PRO 80 Ca 0.32 2.03 0.27 0.00 0.04 0.00 0.00 61.00 63.66 2ksh s PRO 80 Cb -0.15 -3.44 1.64 0.00 0.04 0.00 0.00 34.50 32.60 2ksh s PRO 80 CO 0.17 -0.52 2.15 0.00 0.04 0.00 0.00 177.00 178.84 2ksh h ALA 81 N 7.41 1.80 0.56 8.56 0.00 -1.95 -2.53 119.26 133.11 2ksh h ALA 81 Ca -0.40 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 2ksh h ALA 81 Cb 1.19 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.00 2ksh h ALA 81 CO 0.88 -0.19 -0.27 0.87 0.00 0.00 0.00 179.25 180.55 2ksh h LYS 82 N 0.00 -0.72 0.11 0.00 6.56 -1.99 -1.98 116.57 118.55 2ksh h LYS 82 Ca 0.06 0.05 0.02 0.00 -1.06 0.00 0.00 60.65 59.72 2ksh h LYS 82 Cb 0.31 0.16 -0.04 0.00 -0.57 0.00 0.00 32.23 32.10 2ksh h LYS 82 CO -0.00 -0.41 -0.30 0.93 -2.06 0.00 0.00 179.45 177.61 2ksh h GLU 83 N -1.03 -0.49 -0.90 3.15 4.39 -1.88 -0.15 114.58 117.67 2ksh h GLU 83 Ca -0.08 0.03 0.19 0.00 0.34 0.00 0.00 59.36 59.85 2ksh h GLU 83 Cb 0.64 0.11 -0.11 0.00 -0.10 0.00 0.00 28.75 29.29 2ksh h GLU 83 CO 0.13 -0.33 0.45 0.00 -1.16 0.00 0.00 179.01 178.09 2ksh h ALA 84 N 0.18 1.43 -0.33 3.43 0.00 -1.54 0.39 119.26 122.82 2ksh h ALA 84 Ca 0.03 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 2ksh h ALA 84 Cb 0.54 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2ksh h ALA 84 CO -0.18 -0.22 -0.23 0.52 0.00 0.00 0.00 179.25 179.14 2ksh h MET 85 N 0.53 0.65 0.00 0.00 2.86 -0.59 -2.32 114.93 116.06 2ksh h MET 85 Ca 0.53 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 2ksh h MET 85 Cb 0.91 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.54 2ksh h MET 85 CO -0.45 0.83 0.00 0.00 1.06 0.00 0.00 176.91 178.35 2ksh h ALA 86 N 1.17 1.00 -0.17 6.32 0.00 0.11 -2.98 119.26 124.72 2ksh h ALA 86 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2ksh h ALA 86 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2ksh h ALA 86 CO 0.05 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.34 2ksh n GLN 87 N -2.95 1.50 -1.27 0.00 6.02 0.11 -4.87 117.38 115.92 2ksh n GLN 87 Ca 0.03 -0.77 -0.09 0.00 -0.01 0.00 0.00 57.00 56.16 2ksh n GLN 87 Cb 0.45 -1.27 -0.04 0.00 1.02 0.00 0.00 30.24 30.40 2ksh n GLN 87 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2ksh n ASP 88 N 0.05 -5.15 -0.32 1.08 -0.08 -1.13 -4.82 116.55 106.19 2ksh n ASP 88 Ca 0.12 0.23 0.13 0.00 -1.51 0.00 0.00 54.79 53.76 2ksh n ASP 88 Cb 0.22 -3.46 0.40 0.00 2.34 0.00 0.00 41.12 40.61 2ksh n ASP 88 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2ksh n LYS 89 N -1.36 1.06 -3.74 -0.67 5.02 -0.91 -4.87 118.16 112.70 2ksh n LYS 89 Ca -0.09 -0.64 -0.13 0.00 -2.02 0.00 0.00 58.31 55.43 2ksh n LYS 89 Cb 0.48 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.90 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 -2.37 0.45 0.11 1.97 0.00 -1.20 -4.37 119.30 113.89 2ksh s MET 90 Ca 0.28 0.54 0.00 0.00 0.00 0.00 0.00 55.69 56.51 2ksh s MET 90 Cb 0.20 0.22 -0.04 0.00 0.00 0.00 0.00 34.83 35.20 2ksh s MET 90 CO 0.47 -0.06 -0.00 -2.00 0.00 0.00 0.00 175.02 173.44 2ksh s GLU 91 N 0.23 0.85 -0.02 4.11 2.56 -0.98 -4.60 118.70 120.85 2ksh s GLU 91 Ca -0.00 -1.37 -0.03 0.00 0.00 0.00 0.00 54.97 53.56 2ksh s GLU 91 Cb -0.03 0.05 0.00 0.00 2.00 0.00 0.00 34.13 36.16 2ksh s GLU 91 CO 0.00 -0.15 0.08 0.14 -0.56 0.00 0.00 175.26 174.77 2ksh s VAL 92 N -3.86 0.04 0.48 3.70 -7.23 -1.26 -1.48 120.40 110.79 2ksh s VAL 92 Ca 0.17 -0.31 0.02 0.00 -1.81 0.00 0.00 61.98 60.05 2ksh s VAL 92 Cb 0.07 -0.22 -0.02 0.00 0.56 0.00 0.00 36.38 36.77 2ksh s VAL 92 CO -0.03 -0.17 0.04 -0.62 -0.31 0.00 0.00 175.10 174.01 2ksh s ASP 93 N -0.52 3.76 0.68 4.85 2.15 0.88 -4.94 116.67 123.53 2ksh s ASP 93 Ca -0.06 -1.64 0.00 0.00 0.43 0.00 0.00 52.55 51.28 2ksh s ASP 93 Cb -0.04 0.46 0.00 0.00 -0.30 0.00 0.00 42.92 43.04 2ksh s ASP 93 CO 0.00 -0.85 0.00 0.61 -0.17 0.00 0.00 175.17 174.77 2ksh n GLY 94 N -1.15 1.72 3.44 2.66 0.00 -1.26 -1.97 105.19 108.62 2ksh n GLY 94 Ca -0.15 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 2ksh n GLY 94 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ksh s GLN 95 N 0.00 2.97 0.45 1.61 2.00 -1.07 -4.93 119.66 120.68 2ksh s GLN 95 Ca 0.00 -1.01 0.29 0.00 -2.00 0.00 0.00 55.36 52.64 2ksh s GLN 95 Cb 0.00 -3.89 1.00 0.00 0.80 0.00 0.00 33.01 30.92 2ksh s GLN 95 CO 0.00 -0.71 1.83 0.28 -0.50 0.00 0.00 175.29 176.19 2ksh h VAL 96 N 5.69 0.00 -0.12 1.34 2.07 -1.93 -2.29 116.25 121.01 2ksh h VAL 96 Ca -0.27 -0.58 -0.18 0.00 0.82 0.00 0.00 66.70 66.49 2ksh h VAL 96 Cb 1.12 1.54 0.01 0.00 -1.52 0.00 0.00 31.29 32.44 2ksh h VAL 96 CO 0.70 0.00 -0.62 -0.08 0.02 0.00 0.00 177.57 177.59 2ksh h GLU 97 N 0.00 0.64 0.02 1.57 4.81 -1.99 -2.84 114.58 116.79 2ksh h GLU 97 Ca 0.00 -0.52 -0.06 0.00 -0.13 0.00 0.00 59.36 58.65 2ksh h GLU 97 Cb 0.63 0.11 0.01 0.00 0.63 0.00 0.00 28.75 30.12 2ksh h GLU 97 CO 0.00 1.14 -0.25 -0.07 -0.73 0.00 0.00 179.01 179.10 2ksh h LEU 98 N 0.30 0.19 -1.68 1.64 3.38 -1.97 -3.15 115.31 114.02 2ksh h LEU 98 Ca -0.04 -0.85 0.19 0.00 0.09 0.00 0.00 57.88 57.26 2ksh h LEU 98 Cb 1.26 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.90 2ksh h LEU 98 CO 0.13 1.02 0.54 0.40 0.09 0.00 0.00 178.44 180.62 2ksh h ILE 99 N -0.62 0.71 -0.14 1.22 2.04 -1.53 0.14 117.51 119.33 2ksh h ILE 99 Ca -0.04 -0.10 -0.16 0.00 1.00 0.00 0.00 64.86 65.57 2ksh h ILE 99 Cb 1.07 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 2ksh h ILE 99 CO 0.05 0.05 -0.57 0.15 0.00 0.00 0.00 178.15 177.83 2ksh h PHE 100 N 0.29 0.57 0.00 1.37 3.04 -1.55 -2.69 116.94 117.96 2ksh h PHE 100 Ca 0.40 -0.21 0.00 0.00 3.98 0.00 0.00 57.97 62.14 2ksh h PHE 100 Cb 1.11 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.52 2ksh h PHE 100 CO -0.00 0.91 0.00 1.28 -2.02 0.00 0.00 178.31 178.48 2ksh n LEU 101 N -3.93 0.00 -0.03 0.59 7.99 0.44 -2.69 117.00 119.37 2ksh n LEU 101 Ca -0.03 0.45 -0.13 0.00 -0.01 0.00 0.00 56.01 56.29 2ksh n LEU 101 Cb 0.61 -0.45 -0.14 0.00 -0.11 0.00 0.00 43.42 43.33 2ksh n LEU 101 CO 0.46 -0.17 -0.75 0.18 -1.51 0.00 0.00 177.39 175.60 2ksh n LEU 102 N -1.45 1.47 -0.11 2.23 4.77 -0.98 -4.06 117.00 118.85 2ksh n LEU 102 Ca 0.05 0.26 -0.11 0.00 -0.03 0.00 0.00 56.01 56.18 2ksh n LEU 102 Cb 0.20 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 40.96 2ksh n LEU 102 CO 0.16 0.59 0.55 -0.33 -1.33 0.00 0.00 177.39 177.03 2ksh h GLU 103 N 0.02 -0.36 0.00 3.23 5.08 -1.38 0.44 114.58 121.60 2ksh h GLU 103 Ca -0.38 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2ksh h GLU 103 Cb 2.04 0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.37 2ksh h GLU 103 CO 0.06 -0.24 0.00 -0.35 -1.00 0.00 0.00 179.01 177.48 2ksh n PRO 104 N -5.41 0.26 0.15 2.33 -0.04 -1.26 -2.29 135.00 128.75 2ksh n PRO 104 Ca -0.02 0.12 0.07 0.00 -0.04 0.00 0.00 63.50 63.63 2ksh n PRO 104 Cb 0.35 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.38 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 -0.27 -3.26 116.94 117.52 2ksh h PHE 105 Ca 0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2ksh h PHE 105 Cb 0.11 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 2ksh h PHE 105 CO 0.00 0.26 -0.18 0.82 -2.23 0.00 0.00 178.31 176.98 2ksh h ILE 106 N 0.00 0.85 -0.72 1.41 2.04 -1.25 -2.76 117.51 117.09 2ksh h ILE 106 Ca -0.02 -0.69 0.03 0.00 1.00 0.00 0.00 64.86 65.18 2ksh h ILE 106 Cb 1.22 1.40 -0.05 0.00 -0.74 0.00 0.00 36.82 38.65 2ksh h ILE 106 CO 0.03 0.18 0.45 0.00 0.00 0.00 0.00 178.15 178.80 2ksh h ALA 107 N 1.82 0.94 0.67 1.87 0.00 -1.76 -3.03 119.26 119.77 2ksh h ALA 107 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2ksh h ALA 107 Cb 0.39 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2ksh h ALA 107 CO 0.02 0.22 -0.49 0.77 0.00 0.00 0.00 179.25 179.77 2ksh h SER 108 N 0.87 -1.29 -3.31 0.00 0.02 -1.70 -3.35 113.55 104.79 2ksh h SER 108 Ca 0.29 0.09 -0.76 0.00 -0.84 0.00 0.00 61.79 60.57 2ksh h SER 108 Cb 0.04 0.40 -0.26 0.00 0.14 0.00 0.00 62.40 62.72 2ksh h SER 108 CO -0.12 -0.71 -0.19 -1.48 -1.14 0.00 0.00 176.83 173.20 2ksh s LEU 109 N -10.08 6.20 0.00 5.07 0.05 -1.15 -5.19 118.68 113.58 2ksh s LEU 109 Ca -0.19 -2.04 0.00 0.00 0.05 0.00 0.00 54.13 51.96 2ksh s LEU 109 Cb 0.04 -2.17 0.00 0.00 -2.05 0.00 0.00 46.19 42.01 2ksh s LEU 109 CO 0.61 -0.76 0.00 1.17 -0.55 0.00 0.00 176.35 176.82