#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 1.94 -0.11 3.17 1.04 -1.26 -5.14 113.70 113.34 2ksh s SER 2 Ca 0.00 -0.35 -0.03 0.00 0.48 0.00 0.00 55.95 56.05 2ksh s SER 2 Cb 0.00 -0.20 -0.03 0.00 0.10 0.00 0.00 66.02 65.89 2ksh s SER 2 CO 0.00 0.17 0.00 -0.76 0.98 0.00 0.00 173.24 173.63 2ksh s LEU 3 N -0.59 3.54 0.45 2.42 1.43 -1.26 -5.00 118.68 119.67 2ksh s LEU 3 Ca 0.06 0.08 0.11 0.00 -1.03 0.00 0.00 54.13 53.34 2ksh s LEU 3 Cb -0.07 -1.83 1.01 0.00 0.03 0.00 0.00 46.19 45.33 2ksh s LEU 3 CO -0.00 0.30 2.06 0.11 0.23 0.00 0.00 176.35 179.06 2ksh h LYS 4 N 5.71 0.37 -0.26 1.70 1.57 -2.01 -0.98 116.57 122.67 2ksh h LYS 4 Ca -0.44 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.39 2ksh h LYS 4 Cb 1.19 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 2ksh h LYS 4 CO 0.58 0.24 0.29 0.66 -0.57 0.00 0.00 179.45 180.66 2ksh h SER 5 N 0.38 0.00 -0.94 0.86 4.64 -1.95 -0.82 113.55 115.72 2ksh h SER 5 Ca 0.14 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.61 2ksh h SER 5 Cb 0.10 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.11 2ksh h SER 5 CO -0.03 0.00 0.60 -0.78 -0.87 0.00 0.00 176.83 175.75 2ksh h ASP 6 N 0.00 0.73 0.03 4.97 1.82 -1.57 -1.72 116.42 120.69 2ksh h ASP 6 Ca 0.13 0.05 -0.00 0.00 -0.39 0.00 0.00 57.03 56.82 2ksh h ASP 6 Cb 0.71 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.63 2ksh h ASP 6 CO -0.00 0.36 -0.01 -0.08 -1.61 0.00 0.00 179.24 177.89 2ksh h GLU 7 N 0.77 -0.03 -0.50 0.28 4.81 -1.33 -2.45 114.58 116.12 2ksh h GLU 7 Ca 0.48 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.81 2ksh h GLU 7 Cb 0.71 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.02 2ksh h GLU 7 CO -0.25 0.06 0.01 0.28 -0.73 0.00 0.00 179.01 178.38 2ksh h VAL 8 N -0.12 0.62 -0.95 0.32 2.07 -1.45 0.98 116.25 117.71 2ksh h VAL 8 Ca -0.00 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.54 2ksh h VAL 8 Cb 0.11 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 2ksh h VAL 8 CO 0.01 0.02 0.62 -0.26 0.02 0.00 0.00 177.57 177.97 2ksh h PHE 9 N 0.12 1.11 -0.35 1.57 0.04 -1.31 0.29 116.94 118.41 2ksh h PHE 9 Ca 0.25 0.03 -0.16 0.00 2.80 0.00 0.00 57.97 60.89 2ksh h PHE 9 Cb 0.38 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 2ksh h PHE 9 CO -0.31 0.57 -0.40 0.00 -0.60 0.00 0.00 178.31 177.58 2ksh h ALA 10 N 1.49 0.63 -0.04 2.45 0.00 -0.60 -1.29 119.26 121.90 2ksh h ALA 10 Ca 0.41 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2ksh h ALA 10 Cb 0.20 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2ksh h ALA 10 CO -0.16 0.67 -0.05 0.87 0.00 0.00 0.00 179.25 180.58 2ksh h LYS 11 N 0.70 0.11 -0.57 0.00 1.57 -0.04 -2.89 116.57 115.45 2ksh h LYS 11 Ca 0.06 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2ksh h LYS 11 Cb 0.98 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.26 2ksh h LYS 11 CO 0.09 0.59 0.34 0.82 -0.57 0.00 0.00 179.45 180.73 2ksh h ILE 12 N -0.36 1.17 -0.87 1.86 2.04 -0.50 -2.33 117.51 118.52 2ksh h ILE 12 Ca 0.01 -0.39 0.10 0.00 1.00 0.00 0.00 64.86 65.58 2ksh h ILE 12 Cb 0.58 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 2ksh h ILE 12 CO 0.01 0.18 0.56 0.00 0.00 0.00 0.00 178.15 178.90 2ksh h ALA 13 N 1.17 1.68 -0.58 1.87 0.00 -1.27 -1.31 119.26 120.83 2ksh h ALA 13 Ca 0.21 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 2ksh h ALA 13 Cb -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2ksh h ALA 13 CO -0.04 0.13 0.14 -0.22 0.00 0.00 0.00 179.25 179.27 2ksh h LYS 14 N 0.83 0.92 -0.32 0.00 3.64 -1.20 -2.72 116.57 117.71 2ksh h LYS 14 Ca 0.41 -0.22 -0.06 0.00 -1.27 0.00 0.00 60.65 59.51 2ksh h LYS 14 Cb 0.45 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 2ksh h LYS 14 CO -0.17 0.85 -0.04 0.00 -2.27 0.00 0.00 179.45 177.82 2ksh h ARG 15 N 0.83 0.51 0.00 1.90 2.47 -1.01 -2.04 114.38 117.05 2ksh h ARG 15 Ca 0.18 -0.12 -0.01 0.00 -1.26 0.00 0.00 59.98 58.77 2ksh h ARG 15 Cb 0.35 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.60 2ksh h ARG 15 CO 0.00 0.57 -0.04 -0.07 0.56 0.00 0.00 179.97 180.99 2ksh h LEU 16 N 0.48 0.00 -0.55 3.04 3.38 -1.03 -0.02 115.31 120.61 2ksh h LEU 16 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2ksh h LEU 16 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2ksh h LEU 16 CO 0.02 0.04 0.00 -0.62 0.09 0.00 0.00 178.44 177.96 2ksh n GLU 17 N -3.71 0.21 0.04 1.13 1.02 -0.76 -2.19 120.64 116.38 2ksh n GLU 17 Ca -0.03 0.38 0.12 0.00 -0.02 0.00 0.00 57.16 57.61 2ksh n GLU 17 Cb 0.13 -1.86 0.20 0.00 -0.02 0.00 0.00 31.44 29.89 2ksh n GLU 17 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2ksh n SER 18 N -2.24 0.63 -4.70 1.62 7.64 -0.02 -4.92 113.62 111.62 2ksh n SER 18 Ca 0.03 0.04 -0.41 0.00 1.01 0.00 0.00 58.87 59.54 2ksh n SER 18 Cb 0.27 0.18 0.01 0.00 -1.01 0.00 0.00 64.21 63.67 2ksh n SER 18 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2ksh n ILE 19 N -1.94 2.67 -4.29 0.44 5.41 -0.93 -5.01 119.36 115.70 2ksh n ILE 19 Ca 0.04 -0.50 -0.26 0.00 1.00 0.00 0.00 62.75 63.03 2ksh n ILE 19 Cb 0.41 -1.55 -0.09 0.00 -0.71 0.00 0.00 39.64 37.71 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 -0.58 4.32 0.12 4.38 1.11 -1.26 -5.05 116.67 119.70 2ksh s ASP 20 Ca 0.62 -0.58 -0.13 0.00 0.18 0.00 0.00 52.55 52.64 2ksh s ASP 20 Cb -0.50 -0.75 -0.07 0.00 1.07 0.00 0.00 42.92 42.67 2ksh s ASP 20 CO 0.57 0.09 1.44 1.55 1.18 0.00 0.00 175.17 180.00 2ksh h PRO 21 N 2.76 0.80 0.32 8.23 0.13 -2.02 -3.31 132.00 138.90 2ksh h PRO 21 Ca -0.46 -0.42 -0.02 0.00 -0.87 0.00 0.00 66.00 64.23 2ksh h PRO 21 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2ksh h PRO 21 CO 0.55 1.05 -0.15 0.00 -0.23 0.00 0.00 178.00 179.22 2ksh h ALA 22 N 0.73 -0.43 -1.99 -0.56 0.00 -2.03 -3.41 119.26 111.58 2ksh h ALA 22 Ca 0.05 -0.18 -0.58 0.00 0.00 0.00 0.00 54.91 54.20 2ksh h ALA 22 Cb 0.90 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.78 2ksh h ALA 22 CO 0.08 -0.59 0.73 1.21 0.00 0.00 0.00 179.25 180.68 2ksh s ASN 23 N -5.04 6.79 -0.30 0.00 3.84 -1.25 -4.94 114.94 114.05 2ksh s ASN 23 Ca -0.14 0.80 -0.17 0.00 0.21 0.00 0.00 52.86 53.55 2ksh s ASN 23 Cb 0.02 -2.50 0.17 0.00 -0.55 0.00 0.00 41.25 38.39 2ksh s ASN 23 CO 0.56 -0.88 1.21 -0.60 -2.79 0.00 0.00 177.10 174.59 2ksh s ARG 24 N 3.60 0.03 -0.08 0.43 3.52 -1.26 -4.20 118.95 120.99 2ksh s ARG 24 Ca 0.42 0.05 -0.13 0.00 -0.13 0.00 0.00 55.73 55.94 2ksh s ARG 24 Cb -0.12 0.03 -0.10 0.00 -1.56 0.00 0.00 34.95 33.20 2ksh s ARG 24 CO 0.18 -0.04 0.49 0.37 -0.81 0.00 0.00 175.30 175.48 2ksh h GLN 25 N 7.74 -0.15 -1.93 5.12 4.15 -1.98 -3.48 115.11 124.57 2ksh h GLN 25 Ca -0.10 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 2ksh h GLN 25 Cb 1.18 0.03 -0.22 0.00 0.21 0.00 0.00 27.48 28.68 2ksh h GLN 25 CO -0.22 0.17 0.18 0.54 -1.93 0.00 0.00 178.83 177.57 2ksh s VAL 26 N -2.51 0.00 -0.07 2.39 0.11 -1.26 -5.16 120.40 113.91 2ksh s VAL 26 Ca -0.08 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 58.94 2ksh s VAL 26 Cb -0.00 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.89 2ksh s VAL 26 CO 0.29 0.00 0.12 -1.61 -3.33 0.00 0.00 175.10 170.57 2ksh s GLU 27 N 0.31 -0.01 0.06 1.54 2.02 -1.26 -5.09 118.70 116.27 2ksh s GLU 27 Ca 0.00 0.48 0.05 0.00 0.02 0.00 0.00 54.97 55.53 2ksh s GLU 27 Cb -0.05 -0.36 -0.03 0.00 0.10 0.00 0.00 34.13 33.80 2ksh s GLU 27 CO 0.00 -0.31 -0.15 -3.38 0.02 0.00 0.00 175.26 171.44 2ksh s HIS 28 N 2.19 1.29 0.24 1.61 -3.43 -1.26 -5.04 115.29 110.89 2ksh s HIS 28 Ca 0.03 -0.41 -0.31 0.00 -0.80 0.00 0.00 55.06 53.58 2ksh s HIS 28 Cb -0.12 -0.74 -0.11 0.00 -1.43 0.00 0.00 32.58 30.18 2ksh s HIS 28 CO -0.05 0.06 1.58 0.08 -2.00 0.00 0.00 174.74 174.41 2ksh s VAL 29 N -1.06 2.31 0.12 -5.38 1.01 -1.26 -4.97 120.40 111.17 2ksh s VAL 29 Ca 0.01 0.25 0.09 0.00 0.00 0.00 0.00 61.98 62.32 2ksh s VAL 29 Cb -0.09 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 2ksh s VAL 29 CO 0.02 0.03 -0.21 -0.47 0.00 0.00 0.00 175.10 174.47 2ksh s TYR 30 N 0.44 1.84 -0.07 5.22 5.04 -1.24 -2.43 117.35 126.15 2ksh s TYR 30 Ca 0.66 -0.43 0.02 0.00 -2.44 0.00 0.00 57.07 54.88 2ksh s TYR 30 Cb -0.46 -0.98 -0.03 0.00 0.35 0.00 0.00 41.96 40.84 2ksh s TYR 30 CO 0.41 0.25 -0.12 0.15 -1.34 0.00 0.00 175.55 174.90 2ksh s LYS 31 N -2.16 2.70 -0.21 4.97 1.02 -0.10 -2.37 119.74 123.59 2ksh s LYS 31 Ca 0.10 -0.66 -0.01 0.00 0.02 0.00 0.00 55.97 55.42 2ksh s LYS 31 Cb -0.09 -2.47 0.06 0.00 -0.52 0.00 0.00 37.83 34.81 2ksh s LYS 31 CO 0.05 0.57 -0.01 -0.06 -0.92 0.00 0.00 175.35 174.98 2ksh s PHE 32 N -0.57 1.66 -0.17 3.18 0.40 -1.01 -0.09 117.98 121.38 2ksh s PHE 32 Ca 0.08 -1.26 -0.04 0.00 -0.60 0.00 0.00 56.93 55.11 2ksh s PHE 32 Cb -0.11 -1.28 -0.02 0.00 0.51 0.00 0.00 43.02 42.11 2ksh s PHE 32 CO 0.01 -0.68 -0.04 -0.98 0.70 0.00 0.00 175.22 174.24 2ksh s ARG 33 N 1.64 3.60 -0.25 0.44 1.70 -1.09 -0.24 118.95 124.74 2ksh s ARG 33 Ca -0.03 -0.55 -0.10 0.00 -0.47 0.00 0.00 55.73 54.58 2ksh s ARG 33 Cb -0.18 -2.94 -0.05 0.00 -0.57 0.00 0.00 34.95 31.21 2ksh s ARG 33 CO -0.07 0.13 0.16 0.42 -1.08 0.00 0.00 175.30 174.86 2ksh s ILE 34 N 0.65 5.25 -0.05 4.99 -1.09 0.39 -2.20 121.20 129.14 2ksh s ILE 34 Ca -0.02 0.15 -0.03 0.00 -2.23 0.00 0.00 60.65 58.52 2ksh s ILE 34 Cb -0.14 -3.47 -0.04 0.00 -1.58 0.00 0.00 42.46 37.23 2ksh s ILE 34 CO 0.02 0.31 0.09 0.42 -1.23 0.00 0.00 174.94 174.56 2ksh s THR 35 N 1.33 4.93 -0.38 2.92 -4.23 -1.21 -1.92 115.64 117.08 2ksh s THR 35 Ca 0.07 -0.18 -0.14 0.00 -1.18 0.00 0.00 61.69 60.25 2ksh s THR 35 Cb -0.14 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.50 2ksh s THR 35 CO 0.07 0.47 0.28 -1.58 -0.54 0.00 0.00 174.62 173.32 2ksh s GLN 36 N -1.40 3.21 0.00 3.99 0.74 0.21 -3.31 119.66 123.09 2ksh s GLN 36 Ca 0.19 -0.85 0.00 0.00 0.05 0.00 0.00 55.36 54.76 2ksh s GLN 36 Cb -0.12 -3.90 0.00 0.00 1.10 0.00 0.00 33.01 30.09 2ksh s GLN 36 CO 0.10 -0.62 0.00 0.41 -0.55 0.00 0.00 175.29 174.63 2ksh n GLY 37 N 5.13 1.19 0.00 2.59 0.00 -1.26 -2.92 105.19 109.93 2ksh n GLY 37 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2ksh n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ksh n GLY 38 N 0.00 0.00 2.98 -0.02 0.00 -1.26 -5.13 105.19 101.75 2ksh n GLY 38 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.32 0.21 1.61 2.47 -1.15 -5.08 119.74 118.12 2ksh s LYS 39 Ca 0.00 -0.50 -0.32 0.00 -1.56 0.00 0.00 55.97 53.59 2ksh s LYS 39 Cb 0.00 -0.05 -0.12 0.00 -1.46 0.00 0.00 37.83 36.20 2ksh s LYS 39 CO 0.00 -0.00 1.69 0.08 0.16 0.00 0.00 175.35 177.27 2ksh s VAL 40 N -1.07 2.13 0.00 4.02 1.01 -1.26 0.64 120.40 125.87 2ksh s VAL 40 Ca -0.10 0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2ksh s VAL 40 Cb -0.08 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.24 2ksh s VAL 40 CO -0.00 0.01 0.00 1.33 0.00 0.00 0.00 175.10 176.43 2ksh n VAL 41 N 3.83 0.00 -3.57 2.92 0.24 -0.81 -4.79 118.33 116.15 2ksh n VAL 41 Ca 0.15 -0.23 -0.11 0.00 -2.04 0.00 0.00 64.34 62.11 2ksh n VAL 41 Cb 0.36 0.84 -0.05 0.00 -1.47 0.00 0.00 33.84 33.52 2ksh n VAL 41 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2ksh s LYS 42 N -0.74 0.63 -0.03 7.34 2.20 -0.99 -5.03 119.74 123.12 2ksh s LYS 42 Ca 0.00 0.13 -0.01 0.00 -0.36 0.00 0.00 55.97 55.73 2ksh s LYS 42 Cb 0.00 0.30 0.03 0.00 -1.51 0.00 0.00 37.83 36.65 2ksh s LYS 42 CO 0.00 -0.20 0.05 0.54 -0.36 0.00 0.00 175.35 175.38 2ksh s ASN 43 N -1.18 0.40 0.19 1.43 2.20 -1.26 -0.46 114.94 116.25 2ksh s ASN 43 Ca -0.02 0.08 0.06 0.00 -0.94 0.00 0.00 52.86 52.04 2ksh s ASN 43 Cb -0.00 -0.06 -0.04 0.00 -2.00 0.00 0.00 41.25 39.15 2ksh s ASN 43 CO 0.02 -0.17 0.12 0.26 -2.94 0.00 0.00 177.10 174.39 2ksh s TRP 44 N 1.45 3.07 -0.05 1.54 0.52 0.66 -3.92 118.94 122.22 2ksh s TRP 44 Ca -0.04 -0.07 0.06 0.00 0.02 0.00 0.00 56.10 56.06 2ksh s TRP 44 Cb -0.13 -1.45 -0.01 0.00 -1.15 0.00 0.00 33.47 30.74 2ksh s TRP 44 CO -0.03 0.52 -0.22 0.08 0.02 0.00 0.00 176.95 177.32 2ksh s VAL 45 N -1.87 1.83 -0.28 4.03 1.01 -0.97 -2.40 120.40 121.75 2ksh s VAL 45 Ca 0.31 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 2ksh s VAL 45 Cb -0.09 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.75 2ksh s VAL 45 CO 0.23 0.51 0.05 -0.32 0.00 0.00 0.00 175.10 175.57 2ksh s MET 46 N -0.13 3.14 0.00 2.72 1.75 -1.00 -2.83 119.30 122.95 2ksh s MET 46 Ca -0.03 -0.82 0.00 0.00 -1.25 0.00 0.00 55.69 53.60 2ksh s MET 46 Cb -0.13 -3.29 0.00 0.00 2.84 0.00 0.00 34.83 34.26 2ksh s MET 46 CO 0.03 -0.39 0.00 -3.47 -0.65 0.00 0.00 175.02 170.54 2ksh n ASP 47 N 4.84 -0.95 0.00 1.11 -0.08 -0.73 -3.64 116.55 117.10 2ksh n ASP 47 Ca -0.15 -0.07 0.00 0.00 -1.51 0.00 0.00 54.79 53.05 2ksh n ASP 47 Cb 0.48 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.94 2ksh n ASP 47 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2ksh n LEU 48 N 0.00 0.00 0.08 -2.67 -0.00 -1.26 -4.58 117.00 108.57 2ksh n LEU 48 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.92 2ksh n LEU 48 Cb 0.00 0.04 -0.06 0.00 -0.00 0.00 0.00 43.42 43.40 2ksh n LEU 48 CO 0.00 -0.04 0.18 0.11 -0.00 0.00 0.00 177.39 177.64 2ksh h LYS 49 N 0.00 0.13 0.00 1.96 6.56 -1.96 -3.32 116.57 119.94 2ksh h LYS 49 Ca 0.00 -0.17 -0.05 0.00 -1.06 0.00 0.00 60.65 59.37 2ksh h LYS 49 Cb 0.00 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.71 2ksh h LYS 49 CO 0.00 0.99 -1.88 0.09 -2.06 0.00 0.00 179.45 176.59 2ksh n ASN 50 N -3.54 0.89 -2.64 0.86 4.13 -1.26 -5.03 115.26 108.68 2ksh n ASN 50 Ca -0.03 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 56.12 2ksh n ASN 50 Cb 0.88 1.66 0.05 0.00 -1.54 0.00 0.00 39.78 40.83 2ksh n ASN 50 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2ksh n VAL 51 N -2.21 -5.30 -4.00 2.41 0.31 -1.25 -5.05 118.33 103.23 2ksh n VAL 51 Ca -0.08 -0.64 -0.09 0.00 -0.01 0.00 0.00 64.34 63.53 2ksh n VAL 51 Cb 0.57 -4.80 -0.11 0.00 -0.91 0.00 0.00 33.84 28.60 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 -4.38 0.42 -0.14 5.55 2.20 -1.26 -4.87 119.74 117.27 2ksh s LYS 52 Ca 0.16 -0.78 -0.02 0.00 -0.36 0.00 0.00 55.97 54.97 2ksh s LYS 52 Cb -0.02 0.15 -0.02 0.00 -1.51 0.00 0.00 37.83 36.43 2ksh s LYS 52 CO 0.49 -0.08 -0.08 -0.51 -0.36 0.00 0.00 175.35 174.81 2ksh s LEU 53 N -1.91 3.02 0.11 5.43 1.02 -1.26 -1.77 118.68 123.31 2ksh s LEU 53 Ca -0.09 -0.20 -0.05 0.00 0.02 0.00 0.00 54.13 53.81 2ksh s LEU 53 Cb -0.04 -1.70 -0.02 0.00 0.02 0.00 0.00 46.19 44.44 2ksh s LEU 53 CO -0.04 0.18 0.14 -0.69 0.02 0.00 0.00 176.35 175.97 2ksh s VAL 54 N 0.25 0.13 -0.59 -1.59 1.01 -1.13 -5.04 120.40 113.44 2ksh s VAL 54 Ca -0.06 -1.54 -0.25 0.00 0.00 0.00 0.00 61.98 60.14 2ksh s VAL 54 Cb -0.15 -1.68 0.04 0.00 0.00 0.00 0.00 36.38 34.59 2ksh s VAL 54 CO 0.04 -0.58 1.04 -1.83 0.00 0.00 0.00 175.10 173.77 2ksh s GLU 55 N -3.95 3.33 0.24 2.72 -1.05 -1.26 -2.28 118.70 116.45 2ksh s GLU 55 Ca 0.13 -0.21 -0.11 0.00 -0.15 0.00 0.00 54.97 54.63 2ksh s GLU 55 Cb 0.06 -4.08 -0.01 0.00 -0.44 0.00 0.00 34.13 29.66 2ksh s GLU 55 CO -0.05 -1.64 0.42 0.45 0.95 0.00 0.00 175.26 175.39 2ksh s SER 56 N 3.07 -0.06 0.00 0.83 0.15 -1.25 -4.94 113.70 111.50 2ksh s SER 56 Ca 0.33 -0.99 0.03 0.00 0.70 0.00 0.00 55.95 56.02 2ksh s SER 56 Cb -0.11 0.55 0.07 0.00 -1.71 0.00 0.00 66.02 64.82 2ksh s SER 56 CO 0.19 -1.09 0.99 -0.67 1.20 0.00 0.00 173.24 173.86 2ksh n ASP 57 N -0.36 2.09 -4.41 5.45 -0.08 -1.26 -3.78 116.55 114.20 2ksh n ASP 57 Ca -0.01 -1.86 -0.33 0.00 -1.51 0.00 0.00 54.79 51.08 2ksh n ASP 57 Cb 0.62 -0.05 0.11 0.00 2.34 0.00 0.00 41.12 44.14 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 -0.15 -2.11 -4.29 1.67 2.03 -1.26 -4.97 116.55 107.46 2ksh n ASP 58 Ca 0.03 0.36 -0.29 0.00 0.52 0.00 0.00 54.79 55.41 2ksh n ASP 58 Cb 0.26 -1.19 0.20 0.00 -0.72 0.00 0.00 41.12 39.67 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 -2.32 1.05 0.21 -1.67 0.00 -1.26 -4.97 121.76 112.79 2ksh s ALA 59 Ca 0.57 -0.72 -0.23 0.00 0.00 0.00 0.00 51.96 51.59 2ksh s ALA 59 Cb -0.23 -2.97 0.05 0.00 0.00 0.00 0.00 23.12 19.97 2ksh s ALA 59 CO 0.67 -3.04 0.71 0.00 0.00 0.00 0.00 175.76 174.10 2ksh s ALA 60 N -3.12 -1.43 0.59 0.00 0.00 -1.26 -5.01 121.76 111.53 2ksh s ALA 60 Ca 0.68 0.10 0.29 0.00 0.00 0.00 0.00 51.96 53.03 2ksh s ALA 60 Cb -0.13 0.82 1.67 0.00 0.00 0.00 0.00 23.12 25.48 2ksh s ALA 60 CO 0.56 -0.92 2.11 0.93 0.00 0.00 0.00 175.76 178.44 2ksh h GLU 61 N 2.00 0.00 -2.42 0.00 4.39 -1.86 -3.44 114.58 113.25 2ksh h GLU 61 Ca -0.25 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.54 2ksh h GLU 61 Cb 1.27 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.78 2ksh h GLU 61 CO 0.29 0.00 0.44 0.00 -1.16 0.00 0.00 179.01 178.58 2ksh s ALA 62 N -4.64 -1.76 -0.03 3.43 0.00 -1.24 -3.81 121.76 113.71 2ksh s ALA 62 Ca -0.05 0.82 0.04 0.00 0.00 0.00 0.00 51.96 52.77 2ksh s ALA 62 Cb 0.15 0.53 -0.00 0.00 0.00 0.00 0.00 23.12 23.80 2ksh s ALA 62 CO 0.55 -0.74 -0.14 0.99 0.00 0.00 0.00 175.76 176.42 2ksh s THR 63 N -3.26 1.17 -0.27 0.00 2.01 -0.71 -0.92 115.64 113.65 2ksh s THR 63 Ca 0.05 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.50 2ksh s THR 63 Cb -0.01 -1.01 0.06 0.00 0.01 0.00 0.00 72.50 71.55 2ksh s THR 63 CO -0.08 0.34 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.88 2ksh s LEU 64 N 0.07 3.53 -0.18 4.42 2.96 0.87 -0.10 118.68 130.26 2ksh s LEU 64 Ca -0.03 -1.47 -0.19 0.00 -0.22 0.00 0.00 54.13 52.21 2ksh s LEU 64 Cb -0.10 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 2ksh s LEU 64 CO 0.01 -0.22 0.56 -0.89 -1.32 0.00 0.00 176.35 174.50 2ksh s THR 65 N 1.10 5.09 -0.15 3.68 2.01 -0.49 -2.68 115.64 124.19 2ksh s THR 65 Ca -0.06 1.06 -0.16 0.00 0.31 0.00 0.00 61.69 62.84 2ksh s THR 65 Cb -0.20 -3.88 0.04 0.00 0.01 0.00 0.00 72.50 68.47 2ksh s THR 65 CO -0.06 0.18 0.45 -0.04 -0.69 0.00 0.00 174.62 174.47 2ksh s MET 66 N 1.51 0.55 0.78 4.92 -1.94 -0.94 -2.77 119.30 121.42 2ksh s MET 66 Ca 0.27 0.55 -0.13 0.00 -1.71 0.00 0.00 55.69 54.67 2ksh s MET 66 Cb -0.16 0.27 0.07 0.00 2.01 0.00 0.00 34.83 37.02 2ksh s MET 66 CO 0.10 -0.08 1.15 -1.21 -0.01 0.00 0.00 175.02 174.98 2ksh s GLU 67 N 0.08 1.93 0.15 2.03 0.41 -1.26 -3.34 118.70 118.70 2ksh s GLU 67 Ca -0.01 1.52 -0.26 0.00 -0.41 0.00 0.00 54.97 55.81 2ksh s GLU 67 Cb -0.03 -1.83 0.01 0.00 -1.78 0.00 0.00 34.13 30.49 2ksh s GLU 67 CO 0.01 -1.94 1.58 0.22 -0.49 0.00 0.00 175.26 174.64 2ksh h ASP 68 N -0.88 -1.37 -0.27 -0.19 1.82 -1.90 0.34 116.42 113.98 2ksh h ASP 68 Ca -0.45 0.21 0.03 0.00 -0.39 0.00 0.00 57.03 56.43 2ksh h ASP 68 Cb 1.27 0.60 -0.01 0.00 0.68 0.00 0.00 39.33 41.87 2ksh h ASP 68 CO 0.48 -0.36 0.18 0.44 -1.61 0.00 0.00 179.24 178.37 2ksh h ASP 69 N -0.32 0.19 0.11 2.28 5.19 -1.91 -2.57 116.42 119.40 2ksh h ASP 69 Ca 0.14 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 2ksh h ASP 69 Cb 0.58 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.05 2ksh h ASP 69 CO -0.56 0.13 -0.05 0.40 -3.12 0.00 0.00 179.24 176.04 2ksh h ILE 70 N 0.22 1.10 -0.93 0.35 1.08 -0.87 -3.03 117.51 115.43 2ksh h ILE 70 Ca 0.11 -0.99 0.20 0.00 -0.39 0.00 0.00 64.86 63.80 2ksh h ILE 70 Cb 0.18 1.71 -0.08 0.00 -3.07 0.00 0.00 36.82 35.56 2ksh h ILE 70 CO -0.02 0.23 0.61 -0.03 -0.69 0.00 0.00 178.15 178.25 2ksh h MET 71 N -0.62 0.47 -0.74 2.37 1.85 -0.14 0.98 114.93 119.09 2ksh h MET 71 Ca -0.01 -0.03 -0.06 0.00 -0.61 0.00 0.00 59.70 58.99 2ksh h MET 71 Cb 0.49 -0.10 -0.03 0.00 0.43 0.00 0.00 31.60 32.39 2ksh h MET 71 CO 0.02 0.31 0.24 0.35 -0.40 0.00 0.00 176.91 177.43 2ksh h PHE 72 N 0.48 1.18 0.33 1.39 3.57 -1.42 0.34 116.94 122.81 2ksh h PHE 72 Ca 0.50 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.87 2ksh h PHE 72 Cb 1.14 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.54 2ksh h PHE 72 CO -0.00 0.93 -0.16 0.00 -2.23 0.00 0.00 178.31 176.85 2ksh h ALA 73 N 1.12 -0.44 0.00 2.41 0.00 -0.71 0.20 119.26 121.84 2ksh h ALA 73 Ca 0.24 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2ksh h ALA 73 Cb 0.30 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2ksh h ALA 73 CO -0.01 -0.65 0.00 0.82 0.00 0.00 0.00 179.25 179.41 2ksh h ILE 74 N -0.64 0.00 0.12 0.00 5.03 -1.37 0.65 117.51 121.30 2ksh h ILE 74 Ca -0.05 -0.43 -0.32 0.00 -0.12 0.00 0.00 64.86 63.94 2ksh h ILE 74 Cb 0.46 1.33 -0.01 0.00 -3.03 0.00 0.00 36.82 35.57 2ksh h ILE 74 CO 0.07 0.00 -1.65 1.23 -0.68 0.00 0.00 178.15 177.12 2ksh h GLY 75 N 2.37 0.30 -3.87 5.37 0.00 -0.07 -3.34 103.07 103.83 2ksh h GLY 75 Ca 0.00 -0.77 -0.43 0.00 0.00 0.00 0.00 47.33 46.14 2ksh h GLY 75 CO 0.00 0.67 0.54 -1.30 0.00 0.00 0.00 176.54 176.45 2ksh n THR 76 N -3.45 3.07 -1.62 4.70 -2.24 0.68 -4.88 114.28 110.54 2ksh n THR 76 Ca -0.20 -1.79 -0.12 0.00 -2.27 0.00 0.00 64.05 59.67 2ksh n THR 76 Cb 1.05 -0.46 -0.04 0.00 -2.10 0.00 0.00 70.33 68.78 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 -0.84 0.77 0.01 3.38 0.00 -1.08 -4.85 105.19 102.59 2ksh n GLY 77 Ca 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 0.86 -0.44 -3.55 4.61 0.00 0.04 -3.46 119.26 117.32 2ksh h ALA 78 Ca -0.26 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 53.97 2ksh h ALA 78 Cb 0.91 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.54 2ksh h ALA 78 CO 0.37 -0.44 -0.68 -0.51 0.00 0.00 0.00 179.25 177.98 2ksh s LEU 79 N -4.25 3.26 0.11 0.00 1.43 -0.98 -4.98 118.68 113.27 2ksh s LEU 79 Ca -0.00 -0.08 -0.31 0.00 -1.03 0.00 0.00 54.13 52.71 2ksh s LEU 79 Cb 0.00 -1.83 -0.08 0.00 0.03 0.00 0.00 46.19 44.31 2ksh s LEU 79 CO 0.01 0.30 1.37 -2.16 0.23 0.00 0.00 176.35 176.10 2ksh s PRO 80 N -1.31 4.33 0.52 1.29 0.04 -1.26 -3.72 135.00 134.89 2ksh s PRO 80 Ca 0.17 2.04 0.25 0.00 0.04 0.00 0.00 61.00 63.49 2ksh s PRO 80 Cb -0.11 -3.27 1.42 0.00 0.04 0.00 0.00 34.50 32.58 2ksh s PRO 80 CO 0.07 -0.42 2.08 0.00 0.04 0.00 0.00 177.00 178.77 2ksh h ALA 81 N 6.83 1.39 -0.04 8.56 0.00 -1.95 -2.18 119.26 131.86 2ksh h ALA 81 Ca -0.42 -0.10 -0.01 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 0.86 0.14 -0.02 1.57 0.00 0.00 0.00 179.25 181.81 2ksh h LYS 82 N 0.00 0.09 -0.02 0.00 2.10 -1.99 -2.73 116.57 114.02 2ksh h LYS 82 Ca -0.00 -0.04 -0.00 0.00 -2.00 0.00 0.00 60.65 58.61 2ksh h LYS 82 Cb 0.29 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.61 2ksh h LYS 82 CO 0.01 0.46 0.00 0.93 -2.00 0.00 0.00 179.45 178.86 2ksh h GLU 83 N -0.29 0.03 -1.01 0.07 4.39 -1.90 -2.47 114.58 113.40 2ksh h GLU 83 Ca 0.01 -0.01 0.25 0.00 0.34 0.00 0.00 59.36 59.95 2ksh h GLU 83 Cb 0.43 -0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.99 2ksh h GLU 83 CO 0.01 0.27 0.65 0.00 -1.16 0.00 0.00 179.01 178.78 2ksh h ALA 84 N 0.76 2.19 -0.21 3.43 0.00 -1.46 0.33 119.26 124.29 2ksh h ALA 84 Ca 0.01 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 2ksh h ALA 84 Cb 0.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2ksh h ALA 84 CO 0.00 -0.56 -0.44 1.98 0.00 0.00 0.00 179.25 180.23 2ksh h MET 85 N 0.43 0.67 0.00 0.00 -1.53 -1.26 0.03 114.93 113.27 2ksh h MET 85 Ca 0.56 -0.44 -0.00 0.00 -3.44 0.00 0.00 59.70 56.38 2ksh h MET 85 Cb 1.39 0.06 -0.00 0.00 -0.55 0.00 0.00 31.60 32.49 2ksh h MET 85 CO -0.27 1.06 -0.01 0.00 0.14 0.00 0.00 176.91 177.82 2ksh h ALA 86 N 0.61 1.00 -0.40 0.39 0.00 -0.38 -2.64 119.26 117.83 2ksh h ALA 86 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ksh h ALA 86 Cb 1.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2ksh h ALA 86 CO 0.10 0.02 0.00 1.04 0.00 0.00 0.00 179.25 180.40 2ksh n GLN 87 N -3.11 2.88 -3.90 0.00 1.13 0.90 -4.90 117.38 110.38 2ksh n GLN 87 Ca 0.01 -1.84 -0.29 0.00 -1.94 0.00 0.00 57.00 52.95 2ksh n GLN 87 Cb 0.35 -1.73 0.02 0.00 0.11 0.00 0.00 30.24 28.99 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 0.57 -3.54 -0.13 1.08 -0.08 -1.00 -4.85 116.55 108.61 2ksh n ASP 88 Ca 0.17 -0.83 0.01 0.00 -1.51 0.00 0.00 54.79 52.63 2ksh n ASP 88 Cb 0.66 -3.75 0.02 0.00 2.34 0.00 0.00 41.12 40.39 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 -4.55 0.66 -3.56 -0.67 5.02 -0.01 -5.03 118.16 110.01 2ksh n LYS 89 Ca -0.06 -1.01 -0.13 0.00 -2.02 0.00 0.00 58.31 55.10 2ksh n LYS 89 Cb 0.57 -1.06 -0.05 0.00 -0.02 0.00 0.00 35.03 34.47 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 -0.50 0.72 0.23 1.97 0.23 -1.17 -4.75 119.30 116.03 2ksh s MET 90 Ca 0.04 0.17 0.06 0.00 -1.03 0.00 0.00 55.69 54.93 2ksh s MET 90 Cb 0.03 0.34 -0.05 0.00 -1.53 0.00 0.00 34.83 33.62 2ksh s MET 90 CO 0.04 -0.23 -0.09 -1.83 -2.03 0.00 0.00 175.02 170.88 2ksh s GLU 91 N -1.16 1.38 -0.10 3.16 1.03 -1.11 -4.53 118.70 117.36 2ksh s GLU 91 Ca -0.04 -1.66 -0.16 0.00 0.03 0.00 0.00 54.97 53.14 2ksh s GLU 91 Cb -0.00 -0.99 0.04 0.00 -0.80 0.00 0.00 34.13 32.37 2ksh s GLU 91 CO 0.04 0.07 0.41 0.54 -1.33 0.00 0.00 175.26 174.99 2ksh s VAL 92 N -3.10 0.02 0.35 1.83 0.11 -1.26 -1.40 120.40 116.94 2ksh s VAL 92 Ca 0.25 -0.16 0.06 0.00 -2.93 0.00 0.00 61.98 59.21 2ksh s VAL 92 Cb 0.02 -0.64 -0.07 0.00 -1.53 0.00 0.00 36.38 34.16 2ksh s VAL 92 CO 0.08 -0.09 -0.00 -0.62 -3.33 0.00 0.00 175.10 171.14 2ksh s ASP 93 N -0.43 3.17 0.00 3.54 -1.08 0.86 -4.96 116.67 117.77 2ksh s ASP 93 Ca -0.06 -1.31 0.00 0.00 -0.52 0.00 0.00 52.55 50.66 2ksh s ASP 93 Cb -0.03 -0.25 0.00 0.00 -1.46 0.00 0.00 42.92 41.18 2ksh s ASP 93 CO 0.03 -0.44 0.00 0.61 0.52 0.00 0.00 175.17 175.88 2ksh n GLY 94 N -0.78 0.75 3.16 2.66 0.00 -1.26 -1.74 105.19 107.97 2ksh n GLY 94 Ca -0.04 -1.15 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 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 2.24 0.58 1.61 -1.52 -1.25 -4.96 119.66 116.37 2ksh s GLN 95 Ca 0.00 -1.51 0.28 0.00 -1.95 0.00 0.00 55.36 52.18 2ksh s GLN 95 Cb 0.00 -3.39 1.58 0.00 -0.22 0.00 0.00 33.01 30.98 2ksh s GLN 95 CO 0.00 -0.83 2.04 0.28 -0.25 0.00 0.00 175.29 176.53 2ksh h VAL 96 N 6.39 0.48 0.00 1.09 2.07 -1.95 0.24 116.25 124.57 2ksh h VAL 96 Ca -0.17 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.24 2ksh h VAL 96 Cb 1.06 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 2ksh h VAL 96 CO 0.61 0.00 -0.50 -0.33 0.02 0.00 0.00 177.57 177.38 2ksh h GLU 97 N 0.00 0.00 0.01 1.57 3.07 -2.01 -3.07 114.58 114.15 2ksh h GLU 97 Ca 0.13 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.99 2ksh h GLU 97 Cb 0.69 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 2ksh h GLU 97 CO -0.00 0.50 -0.00 -0.07 -1.40 0.00 0.00 179.01 178.03 2ksh h LEU 98 N 0.00 -0.01 -1.61 1.33 3.38 -0.95 -3.23 115.31 114.21 2ksh h LEU 98 Ca -0.00 -0.83 0.18 0.00 0.09 0.00 0.00 57.88 57.32 2ksh h LEU 98 Cb 1.07 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 2ksh h LEU 98 CO 0.06 0.85 0.55 -0.29 0.09 0.00 0.00 178.44 179.70 2ksh h ILE 99 N -0.88 0.72 -0.58 1.22 2.10 -1.52 0.79 117.51 119.36 2ksh h ILE 99 Ca -0.00 -0.12 -0.07 0.00 1.08 0.00 0.00 64.86 65.75 2ksh h ILE 99 Cb 0.84 0.34 -0.02 0.00 -1.09 0.00 0.00 36.82 36.88 2ksh h ILE 99 CO 0.00 0.06 0.07 -0.26 -1.08 0.00 0.00 178.15 176.95 2ksh h PHE 100 N 0.35 1.01 0.00 2.19 0.04 -1.60 -1.90 116.94 117.03 2ksh h PHE 100 Ca 0.41 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 61.05 2ksh h PHE 100 Cb 1.08 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.95 2ksh h PHE 100 CO -0.00 0.87 0.00 -0.07 -0.60 0.00 0.00 178.31 178.51 2ksh h LEU 101 N 0.90 0.00 0.19 1.54 3.38 -0.86 -2.90 115.31 117.56 2ksh h LEU 101 Ca 0.18 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.81 2ksh h LEU 101 Cb 0.43 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.19 2ksh h LEU 101 CO 0.01 0.00 -1.63 -0.07 0.09 0.00 0.00 178.44 176.84 2ksh h LEU 102 N 0.00 0.63 -0.87 1.67 3.38 -1.09 -3.25 115.31 115.78 2ksh h LEU 102 Ca 0.00 -0.93 0.09 0.00 0.09 0.00 0.00 57.88 57.13 2ksh h LEU 102 Cb 0.37 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 40.80 2ksh h LEU 102 CO 0.00 1.74 -0.48 -0.62 0.09 0.00 0.00 178.44 179.18 2ksh n GLU 103 N -3.68 -0.35 0.14 1.13 -0.58 -1.01 0.63 120.64 116.92 2ksh n GLU 103 Ca -0.23 1.32 -0.00 0.00 -0.42 0.00 0.00 57.16 57.82 2ksh n GLU 103 Cb 1.05 -1.94 0.25 0.00 -0.57 0.00 0.00 31.44 30.23 2ksh n GLU 103 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2ksh h PRO 104 N 0.00 0.06 -0.06 3.49 0.13 -1.73 -2.92 132.00 130.96 2ksh h PRO 104 Ca 0.17 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 65.28 2ksh h PRO 104 Cb 0.39 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.52 2ksh h PRO 104 CO -0.82 0.53 0.06 0.35 -0.23 0.00 0.00 178.00 177.89 2ksh h PHE 105 N 0.05 0.00 -0.28 1.56 3.57 0.17 -1.13 116.94 120.88 2ksh h PHE 105 Ca -0.00 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 2ksh h PHE 105 Cb 0.87 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 2ksh h PHE 105 CO 0.00 0.00 0.23 0.82 -2.23 0.00 0.00 178.31 177.13 2ksh h ILE 106 N 0.00 0.71 0.00 1.41 2.04 -1.03 0.85 117.51 121.49 2ksh h ILE 106 Ca 0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 2ksh h ILE 106 Cb 0.14 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2ksh h ILE 106 CO -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 178.15 178.10 2ksh h ALA 107 N 1.81 1.34 0.14 1.87 0.00 -1.40 -2.63 119.26 120.40 2ksh h ALA 107 Ca 0.13 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.77 2ksh h ALA 107 Cb 0.59 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.38 2ksh h ALA 107 CO -0.00 0.06 -1.09 1.03 0.00 0.00 0.00 179.25 179.24 2ksh h SER 108 N 0.00 0.47 -1.58 0.00 0.87 -1.00 -3.37 113.55 108.93 2ksh h SER 108 Ca -0.00 -0.91 -0.76 0.00 -1.23 0.00 0.00 61.79 58.88 2ksh h SER 108 Cb 0.15 -0.15 -0.17 0.00 -0.44 0.00 0.00 62.40 61.79 2ksh h SER 108 CO 0.01 1.50 1.91 0.18 -0.53 0.00 0.00 176.83 179.90 2ksh n LEU 109 N -4.02 7.14 0.00 2.23 4.77 -0.99 -5.01 117.00 121.12 2ksh n LEU 109 Ca -0.18 -4.86 0.00 0.00 -0.03 0.00 0.00 56.01 50.93 2ksh n LEU 109 Cb 0.88 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 2ksh n LEU 109 CO 0.47 1.70 0.00 1.17 -1.33 0.00 0.00 177.39 179.40